| 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 | 51.2 | Low | 88.3 | Confident | 119 Ų | 119 | 70 Ų | 70 | 59% | 0.586 | 41% | 0.405 | S | S | * | . | 0 | 125.9 | 0 | 178.9 | -176.1 | 164.2 | 0 | 0 | 106.9 | A3 V4 Y140 | M1-A3 PolarHBondContact O-N 3.18Å; M1-V4 HydrophobicContact CE-CB 4.19Å; M1-V4 HydrophobicContact CE-CG2 3.57Å; M1-Y140 HydrophobicContact CB-CD2 4.25Å; M1-Y140 HydrophobicContact CG-CD2 4.45Å; M1-Y140 WeakPolarHBondContact SD-CB 3.47Å; M1-Y140 HydrophobicContact SD-CD1 4.44Å; M1-Y140 HydrophobicContact SD-CD2 3.38Å; M1-Y140 WeakPolarHBondContact SD-CD2 3.47Å; M1-Y140 HydrophobicContact SD-CE2 4.19Å; M1-Y140 HydrophobicContact SD-CG 3.51Å; M1-Y140 VanDerWaalsContact SD-CG 3.51Å | |||
| 2 | T | 60.2 | Low | 89.2 | Confident | 103 Ų | 103 | 64.2 Ų | 64.2 | 63% | 0.632 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 118 | 162.7 | 30 | 0 | 0 | 0 | 0 | 106.5 | V4 | T2-V4 PolarHBondContact O-N 3.3Š|
| 3 | A | 82.1 | Confident | 89.8 | Confident | 85 Ų | 85 | 62.3 Ų | 62.3 | 70% | 0.702 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 132.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | M1 | M1-A3 PolarHBondContact O-N 3.18Š|
| 4 | V | 94.6 | Very high | 90.4 | Very high | 6 Ų | 6 | 64.4 Ų | 64.4 | 4% | 0.036 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -75.8 | 132.5 | 169.9 | 172.4 | 0 | 0 | 0 | 0 | 107.3 | M1 T2 Q8 V9 A83 A84 T133 K136 I137 | M1-V4 HydrophobicContact CE-CB 4.19Å; M1-V4 HydrophobicContact CE-CG2 3.57Å; T2-V4 PolarHBondContact O-N 3.3Å; V4-Q8 HydrophobicContact CG1-CB 3.91Å; V4-V9 HydrophobicContact CG1-CG2 3.67Å; V4-A83 HydrophobicContact CG1-CB 4.45Å; V4-A84 WeakPolarHBondContact O-CA 3.24Å; V4-T133 HydrophobicContact CG1-CG2 3.77Å; V4-T133 HydrophobicContact CG2-CG2 4.32Å; V4-K136 HydrophobicContact CG2-CB 4.11Å; V4-K136 HydrophobicContact CG2-CD 4.46Å; V4-I137 HydrophobicContact CG2-CG1 4.15Å |
| 5 | T | 96.5 | Very high | 90.9 | Very high | 74 Ų | 74 | 63.2 Ų | 63.2 | 45% | 0.454 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -87.3 | 158.8 | 179.1 | 69.7 | 0 | 0 | 0 | 0 | 111.1 | S7 Q8 V9 | T5-S7 PolarHBondContact O-N 3.23Å; T5-Q8 WeakPolarHBondContact O-CB 3.48Å; T5-Q8 PolarHBondContact O-N 3.21Å; T5-Q8 WeakPolarHBondContact OG1-CG 3.42Å; T5-Q8 PolarHBondContact OG1-N 2.92Å; T5-Q8 PolarHBondContact OG1-OE1 3.46Å; T5-V9 PolarHBondContact O-N 3.31Å |
| 6 | Q | 97.3 | Very high | 91.3 | Very high | 95 Ų | 95 | 59.6 Ų | 59.6 | 44% | 0.444 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -57.9 | -39.9 | 176.2 | -171.4 | 61.2 | 50.8 | 0 | 0 | 111.6 | Q8 V9 D10 A84 | Q6-Q8 VanDerWaalsContact C-N 3.3Å; Q6-Q8 PolarHBondContact O-N 3.02Å; Q6-V9 WeakPolarHBondContact O-CA 3.48Å; Q6-V9 WeakPolarHBondContact O-CB 3.39Å; Q6-V9 PolarHBondContact O-N 2.49Å; Q6-V9 VanDerWaalsContact O-N 3.08Å; Q6-D10 PolarHBondContact NE2-OD1 2.9Å; Q6-D10 PolarHBondContact O-N 2.62Å; Q6-A84 HydrophobicContact CB-CB 4.13Å |
| 7 | S | 97.6 | Very high | 91.6 | Very high | 85 Ų | 85 | 62.9 Ų | 62.9 | 59% | 0.594 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -61.2 | -35.6 | 176 | 172 | 0 | 0 | 0 | 0 | 113.2 | T5 H11 | T5-S7 PolarHBondContact O-N 3.23Å; S7-H11 WeakPolarHBondContact O-CB 3.25Å; S7-H11 PolarHBondContact O-N 3.07Å; S7-H11 VanDerWaalsContact O-N 3.08Å |
| 8 | Q | 97.9 | Very high | 91.9 | Very high | 32 Ų | 32 | 63.5 Ų | 63.5 | 15% | 0.15 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -68.9 | -39.5 | 173.6 | -73.7 | 172.1 | -42 | 0 | 0 | 111.6 | V4 T5 Q6 L12 T133 | V4-Q8 HydrophobicContact CG1-CB 3.91Å; T5-Q8 WeakPolarHBondContact O-CB 3.48Å; T5-Q8 PolarHBondContact O-N 3.21Å; T5-Q8 WeakPolarHBondContact OG1-CG 3.42Å; T5-Q8 PolarHBondContact OG1-N 2.92Å; T5-Q8 PolarHBondContact OG1-OE1 3.46Å; Q6-Q8 VanDerWaalsContact C-N 3.3Å; Q6-Q8 PolarHBondContact O-N 3.02Å; Q8-L12 WeakPolarHBondContact O-CB 3.33Å; Q8-L12 PolarHBondContact O-N 3.46Å; Q8-L12 VanDerWaalsContact O-N 3.07Å; Q8-T133 HydrophobicContact CB-CG2 3.98Å |
| 9 | V | 97.9 | Very high | 92.1 | Very high | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.006 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.5 | -48.6 | 173.6 | 176.8 | 0 | 0 | 0 | 0 | 110.7 | V4 T5 Q6 H11 L12 I13 I80 A83 A84 | V4-V9 HydrophobicContact CG1-CG2 3.67Å; T5-V9 PolarHBondContact O-N 3.31Å; Q6-V9 WeakPolarHBondContact O-CA 3.48Å; Q6-V9 WeakPolarHBondContact O-CB 3.39Å; Q6-V9 PolarHBondContact O-N 2.49Å; Q6-V9 VanDerWaalsContact O-N 3.08Å; V9-H11 VanDerWaalsContact C-N 3.31Å; V9-H11 PolarHBondContact O-N 3.27Å; V9-L12 PolarHBondContact O-N 3.28Å; V9-I13 HydrophobicContact CG1-CG1 4.12Å; V9-I13 WeakPolarHBondContact O-CB 3.41Å; V9-I13 WeakPolarHBondContact O-CG1 3.4Å; V9-I13 PolarHBondContact O-N 3.47Å; V9-I80 VanDerWaalsContact CG1-O 3.32Å; V9-I80 WeakPolarHBondContact CG1-O 3.26Å; V9-A83 HydrophobicContact CG2-CB 3.86Å; V9-A84 HydrophobicContact CG2-CB 3.96Å |
| 10 | D | 98.2 | Very high | 92.3 | Very high | 82 Ų | 82 | 61.3 Ų | 61.3 | 44% | 0.439 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.9 | -39.9 | -177.7 | -61.1 | -20.7 | 0 | 0 | 0 | 111.6 | Q6 I13 T14 | Q6-D10 PolarHBondContact NE2-OD1 2.9Å; Q6-D10 PolarHBondContact O-N 2.62Å; D10-I13 PolarHBondContact O-N 3.37Å; D10-T14 WeakPolarHBondContact O-CB 3.46Å; D10-T14 PolarHBondContact O-N 3.48Å; D10-T14 PolarHBondContact O-OG1 2.9Å |
| 11 | H | 98 | Very high | 92.4 | Very high | 88 Ų | 88 | 62.9 Ų | 62.9 | 41% | 0.407 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -67.3 | -40.4 | 176.7 | -165.9 | -98.6 | 0 | 0 | 0 | 112.2 | S7 V9 E15 D127 N130 | S7-H11 WeakPolarHBondContact O-CB 3.25Å; S7-H11 PolarHBondContact O-N 3.07Å; S7-H11 VanDerWaalsContact O-N 3.08Å; V9-H11 VanDerWaalsContact C-N 3.31Å; V9-H11 PolarHBondContact O-N 3.27Å; H11-E15 PolarHBondContact O-N 3.44Å; H11-D127 IonicContact CE1-OD1 2.58Å; H11-N130 VanDerWaalsContact ND1-CG 3.27Å; H11-N130 PolarHBondContact ND1-ND2 2.89Å; H11-N130 PolarHBondContact ND1-OD1 3.36Å; H11-N130 PolarHBondContact O-ND2 3.41Å; H11-N130 VanDerWaalsContact O-ND2 3.13Å |
| 12 | L | 98.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66 | -43.7 | 174.8 | 176.1 | 61.3 | 0 | 0 | 0 | 111.8 | Q8 V9 E15 L16 I80 I125 N130 T133 M134 I137 | Q8-L12 WeakPolarHBondContact O-CB 3.33Å; Q8-L12 PolarHBondContact O-N 3.46Å; Q8-L12 VanDerWaalsContact O-N 3.07Å; V9-L12 PolarHBondContact O-N 3.28Å; L12-E15 PolarHBondContact O-N 3.48Å; L12-L16 HydrophobicContact CD1-CD1 3.85Å; L12-L16 HydrophobicContact CD1-CG 4.08Å; L12-L16 HydrophobicContact CG-CD1 3.95Å; L12-L16 WeakPolarHBondContact O-CG 3.46Å; L12-L16 PolarHBondContact O-N 3.29Å; L12-I80 HydrophobicContact CD2-CG2 3.77Å; L12-I80 HydrophobicContact CG-CG2 4.3Å; L12-I125 HydrophobicContact CD1-CD1 3.72Å; L12-N130 HydrophobicContact CD1-CB 3.91Å; L12-N130 PolarHBondContact N-OD1 2.82Å; L12-T133 HydrophobicContact CD2-CG2 4.14Å; L12-M134 HydrophobicContact CD1-CB 4.41Å; L12-M134 HydrophobicContact CD2-CB 4.21Å; L12-M134 HydrophobicContact CD2-SD 4.18Å; L12-I137 HydrophobicContact CD2-CD1 3.84Å |
| 13 | I | 97.9 | Very high | 96.3 | Very high | 40 Ų | 40 | 62.5 Ų | 62.5 | 21% | 0.205 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.8 | -42.1 | 177.8 | -69.4 | -64.7 | 0 | 0 | 0 | 111 | V9 D10 E15 L16 E17 I80 K81 | V9-I13 HydrophobicContact CG1-CG1 4.12Å; V9-I13 WeakPolarHBondContact O-CB 3.41Å; V9-I13 WeakPolarHBondContact O-CG1 3.4Å; V9-I13 PolarHBondContact O-N 3.47Å; D10-I13 PolarHBondContact O-N 3.37Å; I13-E15 VanDerWaalsContact C-N 3.3Å; I13-E15 PolarHBondContact O-N 3.46Å; I13-L16 PolarHBondContact O-N 3.32Å; I13-E17 WeakPolarHBondContact O-CB 3.47Å; I13-E17 PolarHBondContact O-N 3.49Å; I13-I80 HydrophobicContact CD1-CB 4.33Å; I13-I80 HydrophobicContact CD1-CG2 3.65Å; I13-I80 HydrophobicContact CG1-CG2 4.27Å; I13-K81 HydrophobicContact CD1-CG 3.71Å; I13-K81 HydrophobicContact CG1-CG 4.21Å |
| 14 | T | 98.1 | Very high | 97 | Very high | 92 Ų | 92 | 61.7 Ų | 61.7 | 56% | 0.564 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -57.9 | -42.3 | 175.6 | -58.8 | 0 | 0 | 0 | 0 | 111.8 | D10 | D10-T14 WeakPolarHBondContact O-CB 3.46Å; D10-T14 PolarHBondContact O-N 3.48Å; D10-T14 PolarHBondContact O-OG1 2.9Å |
| 15 | E | 98.2 | Very high | 97.1 | Very high | 46 Ų | 46 | 64.7 Ų | 64.7 | 22% | 0.215 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -70.1 | -37.6 | 177.8 | -177.1 | 173.1 | -165.2 | 0 | 0 | 112.6 | H11 L12 I13 P18 I125 N126 D127 N130 | H11-E15 PolarHBondContact O-N 3.44Å; L12-E15 PolarHBondContact O-N 3.48Å; I13-E15 VanDerWaalsContact C-N 3.3Å; I13-E15 PolarHBondContact O-N 3.46Å; E15-P18 WeakPolarHBondContact O-CD 3.49Å; E15-I125 VanDerWaalsContact OE2-CG2 3.27Å; E15-I125 WeakPolarHBondContact OE2-CG2 3.37Å; E15-N126 WeakPolarHBondContact OE1-CA 3.25Å; E15-N126 VanDerWaalsContact OE1-CB 3.25Å; E15-N126 WeakPolarHBondContact OE1-CB 3.17Å; E15-N126 PolarHBondContact OE1-N 2.93Å; E15-N126 PolarHBondContact OE1-ND2 3.09Å; E15-D127 PolarHBondContact OE1-N 2.73Å; E15-D127 WeakPolarHBondContact OE2-CB 3.27Å; E15-N130 VanDerWaalsContact OE2-CB 3.24Å; E15-N130 WeakPolarHBondContact OE2-CB 3.24Å; E15-N130 PolarHBondContact OE2-ND2 3.42Å |
| 16 | L | 97.1 | Very high | 97.1 | Very high | 5 Ų | 5 | 63.3 Ų | 63.3 | 3% | 0.026 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -76.9 | -22.4 | 179.9 | -68.5 | 175.9 | 0 | 0 | 0 | 113.1 | L12 I13 P18 Q19 V20 I80 Y124 I125 | L12-L16 HydrophobicContact CD1-CD1 3.85Å; L12-L16 HydrophobicContact CD1-CG 4.08Å; L12-L16 HydrophobicContact CG-CD1 3.95Å; L12-L16 WeakPolarHBondContact O-CG 3.46Å; L12-L16 PolarHBondContact O-N 3.29Å; I13-L16 PolarHBondContact O-N 3.32Å; L16-P18 VanDerWaalsContact C-CD 3.47Å; L16-Q19 WeakPolarHBondContact O-CA 3.41Å; L16-Q19 WeakPolarHBondContact O-CB 3.44Å; L16-Q19 PolarHBondContact O-N 3.3Å; L16-V20 WeakPolarHBondContact O-CG2 3.25Å; L16-V20 PolarHBondContact O-N 3.18Å; L16-I80 HydrophobicContact CD1-CD1 4.08Å; L16-Y124 HydrophobicContact CD2-CD1 4.46Å; L16-Y124 HydrophobicContact CD2-CE1 4.43Å; L16-I125 HydrophobicContact CD2-CG1 4.28Å |
| 17 | E | 96.4 | Very high | 97.2 | Very high | 116 Ų | 116 | 60.9 Ų | 60.9 | 54% | 0.542 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -47.7 | -48.7 | -172.6 | -178.8 | 178.9 | -146.5 | 0 | 0 | 113.7 | I13 Q19 V20 D21 | I13-E17 WeakPolarHBondContact O-CB 3.47Å; I13-E17 PolarHBondContact O-N 3.49Å; E17-Q19 PolarHBondContact O-N 3.38Å; E17-V20 PolarHBondContact O-N 2.91Å; E17-D21 WeakPolarHBondContact O-CB 3.36Å; E17-D21 PolarHBondContact O-N 3.01Å |
| 18 | P | 96.4 | Very high | 97.2 | Very high | 74 Ų | 74 | 61 Ų | 61 | 48% | 0.481 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -62.6 | -14.1 | 179.9 | -22 | 34.8 | 0 | 0 | 0 | 114.6 | E15 L16 H25 | E15-P18 WeakPolarHBondContact O-CD 3.49Å; L16-P18 VanDerWaalsContact C-CD 3.47Å; P18-H25 PolarHBondContact O-ND1 3.09Å |
| 19 | Q | 94.9 | Very high | 97.2 | Very high | 66 Ų | 66 | 59.7 Ų | 59.7 | 31% | 0.308 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -103.3 | -4.1 | -179.6 | -53.5 | -61 | -57.2 | 0 | 0 | 112.6 | L16 E17 H25 Y124 | L16-Q19 WeakPolarHBondContact O-CA 3.41Å; L16-Q19 WeakPolarHBondContact O-CB 3.44Å; L16-Q19 PolarHBondContact O-N 3.3Å; E17-Q19 PolarHBondContact O-N 3.38Å; Q19-H25 CarbonylContact O-C 3.21Å; Q19-H25 VanDerWaalsContact O-CB 3.27Å; Q19-H25 WeakPolarHBondContact O-CB 3.49Å; Q19-H25 VanDerWaalsContact O-O 3.13Å; Q19-Y124 HydrophobicContact CB-CE1 4.18Å; Q19-Y124 VanDerWaalsContact CB-OH 3.25Å; Q19-Y124 WeakPolarHBondContact CB-OH 3.33Å; Q19-Y124 VanDerWaalsContact CD-OH 3.25Å; Q19-Y124 HydrophobicContact CG-CE1 3.92Å; Q19-Y124 WeakPolarHBondContact CG-OH 3.35Å; Q19-Y124 PolarHBondContact OE1-OH 2.85Å |
| 20 | V | 96.2 | Very high | 97.2 | Very high | 17 Ų | 17 | 59.6 Ų | 59.6 | 10% | 0.103 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -143 | 5.5 | -173.9 | -56.8 | 0 | 0 | 0 | 0 | 114.7 | L16 E17 T22 Q26 L29 V73 L77 | L16-V20 WeakPolarHBondContact O-CG2 3.25Å; L16-V20 PolarHBondContact O-N 3.18Å; E17-V20 PolarHBondContact O-N 2.91Å; V20-T22 VanDerWaalsContact C-N 3.28Å; V20-T22 PolarHBondContact O-N 3.28Å; V20-Q26 HydrophobicContact CB-CG 3.93Å; V20-Q26 HydrophobicContact CG1-CG 4.42Å; V20-Q26 WeakPolarHBondContact O-CG 3.35Å; V20-Q26 PolarHBondContact O-NE2 3.31Å; V20-L29 HydrophobicContact CG1-CD2 3.59Å; V20-V73 HydrophobicContact CG1-CG1 4.49Å; V20-L77 HydrophobicContact CB-CD1 3.83Å; V20-L77 HydrophobicContact CB-CD2 4.24Å; V20-L77 HydrophobicContact CG1-CD1 4.18Å; V20-L77 HydrophobicContact CG1-CD2 4.11Å; V20-L77 HydrophobicContact CG2-CD1 4.2Å; V20-L77 HydrophobicContact CG2-CD2 4.02Å |
| 21 | D | 95.8 | Very high | 97.2 | Very high | 95 Ų | 95 | 57.7 Ų | 57.7 | 51% | 0.508 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -64.5 | -27.2 | 177.8 | 63 | -21 | 0 | 0 | 0 | 113.6 | E17 H25 | E17-D21 WeakPolarHBondContact O-CB 3.36Å; E17-D21 PolarHBondContact O-N 3.01Å; D21-H25 IonicContact OD1-CE1 3.85Å; D21-H25 IonicContact OD1-CG 3.27Å; D21-H25 IonicContact OD1-ND1 3.88Å; D21-H25 PolarHBondContact OD1-ND1 2.91Å; D21-H25 IonicContact OD2-ND1 2.68Å |
| 22 | T | 96.7 | Very high | 97.2 | Very high | 55 Ų | 55 | 57 Ų | 57 | 34% | 0.337 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -124.2 | 158 | 179.1 | 69.7 | 0 | 0 | 0 | 0 | 112.4 | V20 A24 H25 Q26 | V20-T22 VanDerWaalsContact C-N 3.28Å; V20-T22 PolarHBondContact O-N 3.28Å; T22-A24 PolarHBondContact O-N 3.1Å; T22-H25 PolarHBondContact O-N 3.04Å; T22-H25 VanDerWaalsContact OG1-CG 3.28Å; T22-H25 PolarHBondContact OG1-N 3.15Å; T22-H25 VanDerWaalsContact OG1-N 3.15Å; T22-H25 PolarHBondContact OG1-ND1 3.06Å; T22-Q26 WeakPolarHBondContact O-CG 3.38Å; T22-Q26 PolarHBondContact O-N 3.06Å |
| 23 | E | 95.5 | Very high | 97.2 | Very high | 159 Ų | 159 | 57.1 Ų | 57.1 | 74% | 0.743 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -57.7 | -34.5 | 173.3 | -66.5 | -175 | 179.6 | 0 | 0 | 112.3 | E27 | E23-E27 PolarHBondContact O-N 3.32Å |
| 24 | A | 96.8 | Very high | 97.2 | Very high | 67 Ų | 67 | 56.2 Ų | 56.2 | 55% | 0.554 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -67.1 | -46.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | T22 Q26 E27 E28 | T22-A24 PolarHBondContact O-N 3.1Å; A24-Q26 VanDerWaalsContact C-N 3.35Å; A24-E27 PolarHBondContact O-N 3.08Å; A24-E28 PolarHBondContact O-N 2.83Å |
| 25 | H | 97.4 | Very high | 97.1 | Very high | 69 Ų | 69 | 55.2 Ų | 55.2 | 32% | 0.319 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.4 | -36.9 | 177.1 | -61.3 | 160 | 0 | 0 | 0 | 111.8 | P18 Q19 D21 T22 E28 L29 | P18-H25 PolarHBondContact O-ND1 3.09Å; Q19-H25 CarbonylContact O-C 3.21Å; Q19-H25 VanDerWaalsContact O-CB 3.27Å; Q19-H25 WeakPolarHBondContact O-CB 3.49Å; Q19-H25 VanDerWaalsContact O-O 3.13Å; D21-H25 IonicContact OD1-CE1 3.85Å; D21-H25 IonicContact OD1-CG 3.27Å; D21-H25 IonicContact OD1-ND1 3.88Å; D21-H25 PolarHBondContact OD1-ND1 2.91Å; D21-H25 IonicContact OD2-ND1 2.68Å; T22-H25 PolarHBondContact O-N 3.04Å; T22-H25 VanDerWaalsContact OG1-CG 3.28Å; T22-H25 PolarHBondContact OG1-N 3.15Å; T22-H25 VanDerWaalsContact OG1-N 3.15Å; T22-H25 PolarHBondContact OG1-ND1 3.06Å; H25-E28 PolarHBondContact O-N 3.29Å; H25-L29 PolarHBondContact O-N 3.35Å |
| 26 | Q | 97.2 | Very high | 97.1 | Very high | 45 Ų | 45 | 55.2 Ų | 55.2 | 21% | 0.21 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62 | -43.1 | 172.6 | -70 | -179.1 | 29.9 | 0 | 0 | 112.3 | V20 T22 A24 G30 V73 L77 | V20-Q26 HydrophobicContact CB-CG 3.93Å; V20-Q26 HydrophobicContact CG1-CG 4.42Å; V20-Q26 WeakPolarHBondContact O-CG 3.35Å; V20-Q26 PolarHBondContact O-NE2 3.31Å; T22-Q26 WeakPolarHBondContact O-CG 3.38Å; T22-Q26 PolarHBondContact O-N 3.06Å; A24-Q26 VanDerWaalsContact C-N 3.35Å; Q26-G30 PolarHBondContact O-N 3.01Å; Q26-V73 HydrophobicContact CB-CB 4.22Å; Q26-V73 HydrophobicContact CB-CG1 3.69Å; Q26-V73 HydrophobicContact CG-CG1 3.69Å; Q26-V73 VanDerWaalsContact O-CG2 3.23Å; Q26-V73 WeakPolarHBondContact O-CG2 3.34Å; Q26-L77 HydrophobicContact CG-CD1 4.19Å |
| 27 | E | 97.8 | Very high | 97.1 | Very high | 44 Ų | 44 | 55.6 Ų | 55.6 | 21% | 0.206 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.3 | -45.8 | 173.4 | -175.7 | 171.4 | 112.3 | 0 | 0 | 110.9 | E23 A24 L29 G30 L31 A69 R70 | E23-E27 PolarHBondContact O-N 3.32Å; A24-E27 PolarHBondContact O-N 3.08Å; E27-L29 PolarHBondContact O-N 3.08Å; E27-G30 PolarHBondContact O-N 2.92Å; E27-L31 HydrophobicContact CG-CD1 4.07Å; E27-L31 HydrophobicContact CG-CG 4.28Å; E27-L31 VanDerWaalsContact O-CG 3.29Å; E27-L31 WeakPolarHBondContact O-CG 3.21Å; E27-L31 PolarHBondContact O-N 3.21Å; E27-A69 HydrophobicContact CG-CB 4.47Å; E27-R70 HydrophobicContact CB-CG 3.88Å; E27-R70 HydrophobicContact CG-CG 4.01Å; E27-R70 WeakPolarHBondContact OE2-CD 3.43Å; E27-R70 WeakPolarHBondContact OE2-CG 3.44Å; E27-R70 IonicContact OE2-CZ 3.89Å; E27-R70 IonicContact OE2-NE 3.8Å; E27-R70 PolarHBondContact OE2-NE 3.37Å |
| 28 | E | 97.5 | Very high | 97.2 | Very high | 88 Ų | 88 | 50.1 Ų | 50.1 | 41% | 0.411 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.5 | -46 | 179.2 | -170.7 | -174.4 | 161.5 | 0 | 0 | 112.5 | A24 H25 L31 K32 | A24-E28 PolarHBondContact O-N 2.83Å; H25-E28 PolarHBondContact O-N 3.29Å; E28-L31 PolarHBondContact O-N 3.36Å; E28-K32 WeakPolarHBondContact O-CG 3.44Å; E28-K32 PolarHBondContact O-N 3.37Å; E28-K32 WeakPolarHBondContact OE1-CE 3.41Å; E28-K32 IonicContact OE1-NZ 3.57Å; E28-K32 PolarHBondContact OE1-NZ 3.34Å |
| 29 | L | 97.9 | Very high | 97.2 | Very high | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.3 | -48.2 | 174.6 | 173.1 | 59.2 | 0 | 0 | 0 | 110.9 | V20 H25 E27 L31 K32 V33 V73 F120 F121 Y124 | V20-L29 HydrophobicContact CG1-CD2 3.59Å; H25-L29 PolarHBondContact O-N 3.35Å; E27-L29 PolarHBondContact O-N 3.08Å; L29-L31 VanDerWaalsContact C-N 3.3Å; L29-L31 PolarHBondContact O-N 3.4Å; L29-K32 PolarHBondContact O-N 2.99Å; L29-V33 HydrophobicContact CD1-CG2 4.21Å; L29-V33 WeakPolarHBondContact O-CG2 3.45Å; L29-V33 PolarHBondContact O-N 2.8Å; L29-V73 HydrophobicContact CB-CG2 4.38Å; L29-V73 HydrophobicContact CD2-CG2 4.32Å; L29-V73 HydrophobicContact CG-CG2 4.23Å; L29-F120 HydrophobicContact CD1-CE1 3.86Å; L29-F120 HydrophobicContact CD1-CZ 4.06Å; L29-F121 HydrophobicContact CD1-CE1 4.41Å; L29-Y124 HydrophobicContact CD1-CD1 4.21Å; L29-Y124 HydrophobicContact CD1-CE1 3.65Å; L29-Y124 HydrophobicContact CD1-CE2 4.33Å |
| 30 | G | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.3 | -39.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q26 E27 V33 Y34 A69 | Q26-G30 PolarHBondContact O-N 3.01Å; E27-G30 PolarHBondContact O-N 2.92Å; G30-V33 PolarHBondContact O-N 2.94Å; G30-Y34 WeakPolarHBondContact O-CD2 3.43Å; G30-Y34 PolarHBondContact O-N 3.27Å; G30-A69 VanDerWaalsContact C-CB 3.42Å |
| 31 | L | 98.3 | Very high | 97.4 | Very high | 42 Ų | 42 | 54.5 Ų | 54.5 | 22% | 0.22 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.7 | -47.3 | 175.8 | -72.1 | 172 | 0 | 0 | 0 | 111 | E27 E28 L29 V33 Y34 E35 L65 K66 A69 | E27-L31 HydrophobicContact CG-CD1 4.07Å; E27-L31 HydrophobicContact CG-CG 4.28Å; E27-L31 VanDerWaalsContact O-CG 3.29Å; E27-L31 WeakPolarHBondContact O-CG 3.21Å; E27-L31 PolarHBondContact O-N 3.21Å; E28-L31 PolarHBondContact O-N 3.36Å; L29-L31 VanDerWaalsContact C-N 3.3Å; L29-L31 PolarHBondContact O-N 3.4Å; L31-V33 VanDerWaalsContact C-N 3.31Å; L31-V33 PolarHBondContact O-N 3.25Å; L31-Y34 PolarHBondContact O-N 2.74Å; L31-E35 VanDerWaalsContact O-CB 3.26Å; L31-E35 WeakPolarHBondContact O-CB 3.41Å; L31-E35 PolarHBondContact O-N 3.3Å; L31-L65 HydrophobicContact CD2-CB 4.28Å; L31-L65 HydrophobicContact CD2-CD2 3.86Å; L31-L65 HydrophobicContact CD2-CG 3.84Å; L31-K66 HydrophobicContact CD2-CG 4.17Å; L31-A69 HydrophobicContact CD2-CB 3.95Å; L31-A69 HydrophobicContact CG-CB 3.9Å |
| 32 | K | 97.9 | Very high | 97.4 | Very high | 72 Ų | 72 | 52.6 Ų | 52.6 | 31% | 0.313 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -58.4 | -42.6 | 176.9 | -70.8 | 171.9 | -177.6 | 164.6 | 0 | 111.8 | E28 L29 C36 F120 Y124 | E28-K32 WeakPolarHBondContact O-CG 3.44Å; E28-K32 PolarHBondContact O-N 3.37Å; E28-K32 WeakPolarHBondContact OE1-CE 3.41Å; E28-K32 IonicContact OE1-NZ 3.57Å; E28-K32 PolarHBondContact OE1-NZ 3.34Å; L29-K32 PolarHBondContact O-N 2.99Å; K32-C36 WeakPolarHBondContact O-CB 3.3Å; K32-C36 PolarHBondContact O-N 2.88Å; K32-C36 VanDerWaalsContact O-N 3.08Å; K32-F120 HydrophobicContact CB-CE2 3.76Å; K32-F120 HydrophobicContact CB-CZ 3.73Å; K32-Y124 HydrophobicContact CD-CE2 4.2Å |
| 33 | V | 98.2 | Very high | 97.4 | Very high | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.018 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.3 | -52.3 | 177.4 | 172.7 | 0 | 0 | 0 | 0 | 111 | L29 G30 L31 E35 C36 F37 F72 F117 F120 F121 | L29-V33 HydrophobicContact CD1-CG2 4.21Å; L29-V33 WeakPolarHBondContact O-CG2 3.45Å; L29-V33 PolarHBondContact O-N 2.8Å; G30-V33 PolarHBondContact O-N 2.94Å; L31-V33 VanDerWaalsContact C-N 3.31Å; L31-V33 PolarHBondContact O-N 3.25Å; V33-E35 VanDerWaalsContact C-N 3.34Å; V33-E35 PolarHBondContact O-N 2.74Å; V33-C36 PolarHBondContact O-N 2.9Å; V33-F37 VanDerWaalsContact O-CB 3.32Å; V33-F37 WeakPolarHBondContact O-CB 3.32Å; V33-F37 PolarHBondContact O-N 3.43Å; V33-F72 HydrophobicContact CB-CD1 4.48Å; V33-F72 HydrophobicContact CB-CE1 4.07Å; V33-F72 HydrophobicContact CG1-CD1 4.3Å; V33-F72 HydrophobicContact CG1-CE1 3.74Å; V33-F72 HydrophobicContact CG1-CZ 3.89Å; V33-F72 HydrophobicContact CG2-CE1 3.92Å; V33-F117 HydrophobicContact CG1-CD1 3.81Å; V33-F117 HydrophobicContact CG1-CE1 3.36Å; V33-F117 HydrophobicContact CG1-CZ 4.06Å; V33-F120 HydrophobicContact CB-CE1 4.49Å; V33-F120 HydrophobicContact CB-CZ 4.49Å; V33-F120 HydrophobicContact CG2-CD1 3.63Å; V33-F120 HydrophobicContact CG2-CD2 4.47Å; V33-F120 HydrophobicContact CG2-CE1 3.28Å; V33-F120 HydrophobicContact CG2-CE2 4.17Å; V33-F120 HydrophobicContact CG2-CG 4.22Å; V33-F120 HydrophobicContact CG2-CZ 3.58Å; V33-F121 HydrophobicContact CG2-CE2 4.46Å; V33-F121 HydrophobicContact CG2-CZ 4.24Å |
| 34 | Y | 98.1 | Very high | 97.5 | Very high | 22 Ų | 22 | 48.2 Ų | 48.2 | 9% | 0.086 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.8 | -34.6 | -179.2 | -88 | -73.6 | 0 | 0 | 0 | 113 | G30 L31 F37 L38 F48 L65 Y68 F72 | G30-Y34 WeakPolarHBondContact O-CD2 3.43Å; G30-Y34 PolarHBondContact O-N 3.27Å; L31-Y34 PolarHBondContact O-N 2.74Å; Y34-F37 HydrophobicContact CD1-CD1 4.03Å; Y34-F37 HydrophobicContact CE1-CD1 4.32Å; Y34-F37 PolarHBondContact O-N 3.16Å; Y34-L38 HydrophobicContact CD1-CD1 4.21Å; Y34-L38 HydrophobicContact CD1-CG 4.44Å; Y34-L38 WeakPolarHBondContact O-CB 3.5Å; Y34-L38 WeakPolarHBondContact O-CG 3.41Å; Y34-L38 PolarHBondContact O-N 3.38Å; Y34-F48 AromaticContact CE1-CE1 3.7Å; Y34-F48 HydrophobicContact CE1-CE1 3.7Å; Y34-F48 AromaticContact CE1-CZ 3.81Å; Y34-F48 HydrophobicContact CE1-CZ 3.81Å; Y34-L65 HydrophobicContact CD1-CD1 4.39Å; Y34-L65 HydrophobicContact CG-CD1 4.01Å; Y34-Y68 VanDerWaalsContact CE2-O 3.29Å; Y34-Y68 WeakPolarHBondContact CE2-O 3.4Å; Y34-F72 HydrophobicContact CE2-CB 3.59Å; Y34-F72 HydrophobicContact CE2-CG 4.18Å |
| 35 | E | 97.5 | Very high | 97.5 | Very high | 71 Ų | 71 | 45.3 Ų | 45.3 | 33% | 0.332 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.9 | -46.2 | 175.4 | -172.8 | 176.6 | 175.3 | 0 | 0 | 110.9 | L31 V33 K39 F59 | L31-E35 VanDerWaalsContact O-CB 3.26Å; L31-E35 WeakPolarHBondContact O-CB 3.41Å; L31-E35 PolarHBondContact O-N 3.3Å; V33-E35 VanDerWaalsContact C-N 3.34Å; V33-E35 PolarHBondContact O-N 2.74Å; E35-K39 HydrophobicContact CG-CD 4.03Å; E35-K39 VanDerWaalsContact O-CB 3.23Å; E35-K39 WeakPolarHBondContact O-CB 3.47Å; E35-K39 WeakPolarHBondContact O-CG 3.41Å; E35-K39 PolarHBondContact O-N 3.49Å; E35-K39 VanDerWaalsContact OE1-CE 3.29Å; E35-K39 WeakPolarHBondContact OE1-CE 3.42Å; E35-K39 IonicContact OE1-NZ 3.91Å; E35-K39 PolarHBondContact OE1-NZ 3.07Å; E35-F59 HydrophobicContact CG-CZ 4.34Å |
| 36 | C | 97.2 | Very high | 97.4 | Very high | 45 Ų | 45 | 45.1 Ų | 45.1 | 30% | 0.304 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.6 | -49.6 | 173.7 | -179 | 0 | 0 | 0 | 0 | 111.3 | K32 V33 A40 F120 | K32-C36 WeakPolarHBondContact O-CB 3.3Å; K32-C36 PolarHBondContact O-N 2.88Å; K32-C36 VanDerWaalsContact O-N 3.08Å; V33-C36 PolarHBondContact O-N 2.9Å; C36-A40 WeakPolarHBondContact O-CB 3.34Å; C36-A40 PolarHBondContact O-N 2.99Å; C36-F120 HydrophobicContact CB-CD2 3.87Å |
| 37 | F | 98.2 | Very high | 97.3 | Very high | 14 Ų | 14 | 45.8 Ų | 45.8 | 6% | 0.061 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.5 | -52.6 | -178.2 | 171.7 | -129.3 | 0 | 0 | 0 | 113.4 | V33 Y34 A40 R41 Y44 F48 S113 I116 F117 | V33-F37 VanDerWaalsContact O-CB 3.32Å; V33-F37 WeakPolarHBondContact O-CB 3.32Å; V33-F37 PolarHBondContact O-N 3.43Å; Y34-F37 HydrophobicContact CD1-CD1 4.03Å; Y34-F37 HydrophobicContact CE1-CD1 4.32Å; Y34-F37 PolarHBondContact O-N 3.16Å; F37-A40 PolarHBondContact O-N 3.37Å; F37-R41 PolarHBondContact O-N 2.87Å; F37-Y44 HydrophobicContact CE1-CD2 4.47Å; F37-Y44 AromaticContact CE2-CD2 3.6Å; F37-Y44 HydrophobicContact CE2-CD2 3.6Å; F37-Y44 HydrophobicContact CE2-CE2 4.01Å; F37-Y44 AromaticContact CZ-CD2 3.44Å; F37-Y44 HydrophobicContact CZ-CD2 3.44Å; F37-Y44 VanDerWaalsContact CZ-CD2 3.44Å; F37-Y44 HydrophobicContact CZ-CE2 4.15Å; F37-Y44 HydrophobicContact CZ-CG 4.41Å; F37-F48 HydrophobicContact CE1-CE2 4.19Å; F37-F48 HydrophobicContact CE1-CZ 4.04Å; F37-S113 VanDerWaalsContact CE2-OG 3.24Å; F37-S113 WeakPolarHBondContact CE2-OG 3.42Å; F37-I116 HydrophobicContact CD2-CD1 4.03Å; F37-I116 HydrophobicContact CE2-CD1 4.43Å; F37-F117 HydrophobicContact CB-CE2 4.42Å; F37-F117 AromaticContact CD2-CE2 3.97Å; F37-F117 HydrophobicContact CD2-CE2 3.97Å; F37-F117 HydrophobicContact CE2-CE2 4.33Å; F37-F117 HydrophobicContact CG-CE2 4.06Å; F37-F117 HydrophobicContact CG-CZ 4.35Å |
| 38 | L | 97.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -79.1 | -20 | -174.8 | -64.4 | 177.1 | 0 | 0 | 0 | 112.9 | Y34 R41 P42 I45 F48 L51 F59 L65 | Y34-L38 HydrophobicContact CD1-CD1 4.21Å; Y34-L38 HydrophobicContact CD1-CG 4.44Å; Y34-L38 WeakPolarHBondContact O-CB 3.5Å; Y34-L38 WeakPolarHBondContact O-CG 3.41Å; Y34-L38 PolarHBondContact O-N 3.38Å; L38-R41 CarbonylContact O-C 3.33Å; L38-P42 VanDerWaalsContact O-CA 3.24Å; L38-P42 WeakPolarHBondContact O-CA 3.17Å; L38-P42 VanDerWaalsContact O-N 3.12Å; L38-I45 HydrophobicContact CB-CG1 3.99Å; L38-I45 HydrophobicContact CD1-CG1 4.28Å; L38-I45 HydrophobicContact CD2-CG1 4.11Å; L38-I45 HydrophobicContact CG-CG1 4.35Å; L38-F48 HydrophobicContact CD2-CD2 4.38Å; L38-F48 HydrophobicContact CD2-CE2 3.92Å; L38-L51 HydrophobicContact CD1-CD1 3.7Å; L38-F59 HydrophobicContact CB-CD2 4.21Å; L38-F59 HydrophobicContact CB-CE1 4.46Å; L38-F59 HydrophobicContact CB-CE2 3.68Å; L38-F59 HydrophobicContact CB-CZ 3.81Å; L38-F59 HydrophobicContact CD1-CD2 3.8Å; L38-F59 HydrophobicContact CD1-CE2 3.89Å; L38-F59 HydrophobicContact CG-CE2 4.37Å; L38-L65 HydrophobicContact CD1-CD1 4.04Å |
| 39 | K | 97 | Very high | 97.1 | Very high | 114 Ų | 114 | 45.3 Ų | 45.3 | 50% | 0.496 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -72.5 | -35.5 | 165.4 | -75.3 | -179.9 | -177.4 | 176.9 | 0 | 112.2 | E35 F59 | E35-K39 HydrophobicContact CG-CD 4.03Å; E35-K39 VanDerWaalsContact O-CB 3.23Å; E35-K39 WeakPolarHBondContact O-CB 3.47Å; E35-K39 WeakPolarHBondContact O-CG 3.41Å; E35-K39 PolarHBondContact O-N 3.49Å; E35-K39 VanDerWaalsContact OE1-CE 3.29Å; E35-K39 WeakPolarHBondContact OE1-CE 3.42Å; E35-K39 IonicContact OE1-NZ 3.91Å; E35-K39 PolarHBondContact OE1-NZ 3.07Å; K39-F59 HydrophobicContact CG-CE1 4.16Å; K39-F59 HydrophobicContact CG-CZ 4.07Å |
| 40 | A | 97.2 | Very high | 97 | Very high | 43 Ų | 43 | 51.5 Ų | 51.5 | 36% | 0.355 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -76.4 | -25 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | C36 F37 I116 | C36-A40 WeakPolarHBondContact O-CB 3.34Å; C36-A40 PolarHBondContact O-N 2.99Å; F37-A40 PolarHBondContact O-N 3.37Å; A40-I116 HydrophobicContact CB-CD1 3.91Å; A40-I116 HydrophobicContact CB-CG1 4.29Å; A40-I116 HydrophobicContact CB-CG2 4.23Å |
| 41 | R | 96.9 | Very high | 97 | Very high | 92 Ų | 92 | 51.5 Ų | 51.5 | 35% | 0.347 | 26% | 0.26 | S | S | . | . | trans | -135 | 69.9 | 176.4 | -63.8 | -70.2 | -178.5 | -99.9 | 2.9 | 111.8 | F37 L38 E43 Y44 I116 | F37-R41 PolarHBondContact O-N 2.87Å; L38-R41 CarbonylContact O-C 3.33Å; R41-E43 VanDerWaalsContact C-OE2 3.23Å; R41-E43 WeakPolarHBondContact CA-OE2 3.31Å; R41-E43 WeakPolarHBondContact CD-OE1 3.43Å; R41-E43 PolarHBondContact O-N 3.37Å; R41-E43 VanDerWaalsContact O-N 3.14Å; R41-Y44 HydrophobicContact CB-CD1 4.48Å; R41-Y44 HydrophobicContact CB-CD2 3.41Å; R41-Y44 VanDerWaalsContact CB-CD2 3.41Å; R41-Y44 HydrophobicContact CB-CE2 3.75Å; R41-Y44 HydrophobicContact CB-CG 3.83Å; R41-Y44 HydrophobicContact CG-CD2 3.89Å; R41-Y44 HydrophobicContact CG-CE2 3.69Å; R41-Y44 WeakPolarHBondContact O-CB 3.28Å; R41-Y44 PolarHBondContact O-N 2.98Å; R41-I116 HydrophobicContact CG-CD1 3.7Å | ||
| 42 | P | 96.8 | Very high | 96.8 | Very high | 56 Ų | 56 | 54.5 Ų | 54.5 | 36% | 0.364 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -52.7 | -34.5 | 179.3 | -30.1 | 39.1 | 0 | 0 | 0 | 114.2 | L38 Y44 I45 V56 | L38-P42 VanDerWaalsContact O-CA 3.24Å; L38-P42 WeakPolarHBondContact O-CA 3.17Å; L38-P42 VanDerWaalsContact O-N 3.12Å; P42-Y44 PolarHBondContact O-N 3.29Å; P42-Y44 VanDerWaalsContact O-N 3.1Å; P42-I45 WeakPolarHBondContact O-CB 3.32Å; P42-I45 VanDerWaalsContact O-CG1 3.3Å; P42-I45 WeakPolarHBondContact O-CG1 3.44Å; P42-I45 PolarHBondContact O-N 3.25Å; P42-I45 VanDerWaalsContact O-N 3.1Å; P42-V56 HydrophobicContact CB-CG1 3.54Å; P42-V56 HydrophobicContact CG-CG1 3.67Å |
| 43 | E | 96 | Very high | 96.7 | Very high | 105 Ų | 105 | 54.8 Ų | 54.8 | 49% | 0.491 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -63.4 | -12.7 | 178 | 70.7 | -82.1 | -164 | 0 | 0 | 113.7 | R41 C46 | R41-E43 VanDerWaalsContact C-OE2 3.23Å; R41-E43 WeakPolarHBondContact CA-OE2 3.31Å; R41-E43 WeakPolarHBondContact CD-OE1 3.43Å; R41-E43 PolarHBondContact O-N 3.37Å; R41-E43 VanDerWaalsContact O-N 3.14Å; E43-C46 PolarHBondContact O-SG 2.88Å |
| 44 | Y | 97.1 | Very high | 96.7 | Very high | 17 Ų | 17 | 57.2 Ų | 57.2 | 7% | 0.067 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -88.9 | -13.9 | 175.7 | -65.4 | -8.4 | 0 | 0 | 0 | 113.5 | F37 R41 P42 C46 K47 F48 I109 | F37-Y44 HydrophobicContact CE1-CD2 4.47Å; F37-Y44 AromaticContact CE2-CD2 3.6Å; F37-Y44 HydrophobicContact CE2-CD2 3.6Å; F37-Y44 HydrophobicContact CE2-CE2 4.01Å; F37-Y44 AromaticContact CZ-CD2 3.44Å; F37-Y44 HydrophobicContact CZ-CD2 3.44Å; F37-Y44 VanDerWaalsContact CZ-CD2 3.44Å; F37-Y44 HydrophobicContact CZ-CE2 4.15Å; F37-Y44 HydrophobicContact CZ-CG 4.41Å; R41-Y44 HydrophobicContact CB-CD1 4.48Å; R41-Y44 HydrophobicContact CB-CD2 3.41Å; R41-Y44 VanDerWaalsContact CB-CD2 3.41Å; R41-Y44 HydrophobicContact CB-CE2 3.75Å; R41-Y44 HydrophobicContact CB-CG 3.83Å; R41-Y44 HydrophobicContact CG-CD2 3.89Å; R41-Y44 HydrophobicContact CG-CE2 3.69Å; R41-Y44 WeakPolarHBondContact O-CB 3.28Å; R41-Y44 PolarHBondContact O-N 2.98Å; P42-Y44 PolarHBondContact O-N 3.29Å; P42-Y44 VanDerWaalsContact O-N 3.1Å; Y44-C46 PolarHBondContact O-N 3.13Å; Y44-K47 HydrophobicContact CD1-CD 3.81Å; Y44-K47 HydrophobicContact CG-CD 4.19Å; Y44-K47 VanDerWaalsContact O-CB 3.3Å; Y44-K47 WeakPolarHBondContact O-CB 3.49Å; Y44-K47 PolarHBondContact O-N 2.79Å; Y44-F48 WeakPolarHBondContact O-CD2 3.49Å; Y44-F48 WeakPolarHBondContact O-CE2 3.07Å; Y44-I109 HydrophobicContact CD1-CG2 4.38Å; Y44-I109 HydrophobicContact CE1-CG2 3.82Å; Y44-I109 HydrophobicContact CE2-CG2 4.02Å |
| 45 | I | 97.1 | Very high | 96.6 | Very high | 5 Ų | 5 | 59.9 Ų | 59.9 | 3% | 0.026 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -54.4 | -44.6 | 178.4 | -64.6 | 170.7 | 0 | 0 | 0 | 110.3 | L38 P42 K47 F48 L51 L54 V56 F59 | L38-I45 HydrophobicContact CB-CG1 3.99Å; L38-I45 HydrophobicContact CD1-CG1 4.28Å; L38-I45 HydrophobicContact CD2-CG1 4.11Å; L38-I45 HydrophobicContact CG-CG1 4.35Å; P42-I45 WeakPolarHBondContact O-CB 3.32Å; P42-I45 VanDerWaalsContact O-CG1 3.3Å; P42-I45 WeakPolarHBondContact O-CG1 3.44Å; P42-I45 PolarHBondContact O-N 3.25Å; P42-I45 VanDerWaalsContact O-N 3.1Å; I45-K47 PolarHBondContact O-N 3.27Å; I45-K47 VanDerWaalsContact O-N 3.1Å; I45-F48 PolarHBondContact O-N 3.07Å; I45-L51 HydrophobicContact CG2-CB 3.92Å; I45-L51 HydrophobicContact CG2-CD1 4.44Å; I45-L54 HydrophobicContact CG2-CB 4.32Å; I45-V56 HydrophobicContact CD1-CG1 4.12Å; I45-F59 HydrophobicContact CD1-CB 4.39Å; I45-F59 HydrophobicContact CD1-CD1 3.9Å; I45-F59 HydrophobicContact CD1-CE1 4.45Å; I45-F59 HydrophobicContact CD1-CG 4.16Å; I45-F59 HydrophobicContact CG2-CB 4.41Å |
| 46 | C | 94.9 | Very high | 96.6 | Very high | 66 Ų | 66 | 60.2 Ų | 60.2 | 45% | 0.446 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -70.8 | -1.9 | 179.8 | 71 | 0 | 0 | 0 | 0 | 114.6 | E43 Y44 F48 Q52 | E43-C46 PolarHBondContact O-SG 2.88Å; Y44-C46 PolarHBondContact O-N 3.13Å; C46-F48 VanDerWaalsContact C-N 3.35Å; C46-Q52 PolarHBondContact O-NE2 3.39Å |
| 47 | K | 95.4 | Very high | 96.5 | Very high | 59 Ų | 59 | 62.2 Ų | 62.2 | 26% | 0.257 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -85.9 | -13.8 | 173.7 | -61.1 | 178.7 | 174.7 | -61 | 0 | 112.3 | Y44 I45 Q104 I109 | Y44-K47 HydrophobicContact CD1-CD 3.81Å; Y44-K47 HydrophobicContact CG-CD 4.19Å; Y44-K47 VanDerWaalsContact O-CB 3.3Å; Y44-K47 WeakPolarHBondContact O-CB 3.49Å; Y44-K47 PolarHBondContact O-N 2.79Å; I45-K47 PolarHBondContact O-N 3.27Å; I45-K47 VanDerWaalsContact O-N 3.1Å; K47-Q104 HydrophobicContact CB-CB 4.45Å; K47-Q104 VanDerWaalsContact CD-O 3.31Å; K47-Q104 WeakPolarHBondContact CD-O 3.37Å; K47-Q104 HydrophobicContact CG-CB 4.43Å; K47-Q104 PolarHBondContact NZ-O 3.17Å; K47-I109 HydrophobicContact CD-CG2 4.36Å |
| 48 | F | 96.1 | Very high | 96.4 | Very high | 31 Ų | 31 | 64.1 Ų | 64.1 | 14% | 0.136 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -96.6 | 119.9 | 179.9 | -66.6 | -94 | 0 | 0 | 0 | 109.8 | Y34 F37 L38 Y44 I45 C46 R50 L51 Q52 Y68 | Y34-F48 AromaticContact CE1-CE1 3.7Å; Y34-F48 HydrophobicContact CE1-CE1 3.7Å; Y34-F48 AromaticContact CE1-CZ 3.81Å; Y34-F48 HydrophobicContact CE1-CZ 3.81Å; F37-F48 HydrophobicContact CE1-CE2 4.19Å; F37-F48 HydrophobicContact CE1-CZ 4.04Å; L38-F48 HydrophobicContact CD2-CD2 4.38Å; L38-F48 HydrophobicContact CD2-CE2 3.92Å; Y44-F48 WeakPolarHBondContact O-CD2 3.49Å; Y44-F48 WeakPolarHBondContact O-CE2 3.07Å; I45-F48 PolarHBondContact O-N 3.07Å; C46-F48 VanDerWaalsContact C-N 3.35Å; F48-R50 VanDerWaalsContact C-N 3.26Å; F48-R50 PolarHBondContact O-N 3.33Å; F48-L51 HydrophobicContact CB-CB 4Å; F48-L51 HydrophobicContact CB-CD1 3.73Å; F48-L51 HydrophobicContact CB-CG 3.73Å; F48-L51 HydrophobicContact CD2-CD1 4.27Å; F48-L51 HydrophobicContact CG-CD1 4.02Å; F48-L51 PolarHBondContact O-N 3.08Å; F48-Q52 PolarHBondContact O-N 3.01Å; F48-Q52 PolarHBondContact O-NE2 3.29Å; F48-Y68 HydrophobicContact CB-CD2 4.35Å; F48-Y68 HydrophobicContact CB-CE2 3.64Å; F48-Y68 AromaticContact CD1-CD1 3.99Å; F48-Y68 HydrophobicContact CD1-CD1 3.99Å; F48-Y68 AromaticContact CD1-CD2 3.87Å; F48-Y68 HydrophobicContact CD1-CD2 3.87Å; F48-Y68 AromaticContact CD1-CE1 3.89Å; F48-Y68 HydrophobicContact CD1-CE1 3.89Å; F48-Y68 AromaticContact CD1-CE2 3.77Å; F48-Y68 HydrophobicContact CD1-CE2 3.77Å; F48-Y68 AromaticContact CD1-CG 3.99Å; F48-Y68 HydrophobicContact CD1-CG 3.99Å; F48-Y68 AromaticContact CD1-CZ 3.78Å; F48-Y68 HydrophobicContact CE1-CD1 4.47Å; F48-Y68 HydrophobicContact CE1-CG 4.5Å; F48-Y68 HydrophobicContact CG-CD2 4.44Å; F48-Y68 HydrophobicContact CG-CE2 4.13Å |
| 49 | S | 95.6 | Very high | 96.4 | Very high | 91 Ų | 91 | 64.1 Ų | 64.1 | 64% | 0.636 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -60.1 | -32.6 | -176.1 | 56.1 | 0 | 0 | 0 | 0 | 113.7 | L51 Q52 Y68 | S49-L51 VanDerWaalsContact C-N 3.32Å; S49-Q52 WeakPolarHBondContact O-CG 3.48Å; S49-Y68 PolarHBondContact N-OH 2.95Å; S49-Y68 VanDerWaalsContact N-OH 3.17Å; S49-Y68 PolarHBondContact OG-OH 3Å |
| 50 | R | 96.6 | Very high | 96.4 | Very high | 133 Ų | 133 | 60.7 Ų | 60.7 | 50% | 0.502 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -86.2 | 0.3 | 177.7 | -54.7 | -176.8 | 179.6 | -149.9 | 0.7 | 114.3 | F48 Y67 Y68 | F48-R50 VanDerWaalsContact C-N 3.26Å; F48-R50 PolarHBondContact O-N 3.33Å; R50-Y67 VanDerWaalsContact NH1-CD2 3.3Å; R50-Y67 VanDerWaalsContact NH1-CG 3.28Å; R50-Y68 HydrophobicContact CB-CE2 3.72Å; R50-Y68 HydrophobicContact CG-CE2 4.27Å; R50-Y68 PolarHBondContact N-OH 2.86Å |
| 51 | L | 97.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -113.7 | 10.2 | 176.3 | -50.4 | -177.9 | 0 | 0 | 0 | 112.3 | L38 I45 F48 S49 G53 L54 S62 L65 Y68 | L38-L51 HydrophobicContact CD1-CD1 3.7Å; I45-L51 HydrophobicContact CG2-CB 3.92Å; I45-L51 HydrophobicContact CG2-CD1 4.44Å; F48-L51 HydrophobicContact CB-CB 4Å; F48-L51 HydrophobicContact CB-CD1 3.73Å; F48-L51 HydrophobicContact CB-CG 3.73Å; F48-L51 HydrophobicContact CD2-CD1 4.27Å; F48-L51 HydrophobicContact CG-CD1 4.02Å; F48-L51 PolarHBondContact O-N 3.08Å; S49-L51 VanDerWaalsContact C-N 3.32Å; L51-G53 PolarHBondContact O-N 2.84Å; L51-L54 HydrophobicContact CB-CD1 4.22Å; L51-L54 HydrophobicContact CD2-CD1 3.96Å; L51-L54 WeakPolarHBondContact O-CB 3.33Å; L51-L54 PolarHBondContact O-N 3.48Å; L51-L54 VanDerWaalsContact O-N 3.09Å; L51-S62 VanDerWaalsContact CD2-OG 3.31Å; L51-S62 WeakPolarHBondContact CD2-OG 3.5Å; L51-L65 HydrophobicContact CD1-CD1 4.25Å; L51-L65 HydrophobicContact CD2-CB 4.32Å; L51-Y68 HydrophobicContact CD1-CD2 4.41Å; L51-Y68 HydrophobicContact CD2-CD2 4.45Å; L51-Y68 HydrophobicContact CD2-CE2 4.46Å; L51-Y68 HydrophobicContact CG-CD2 4.26Å; L51-Y68 HydrophobicContact CG-CE2 4.02Å |
| 52 | Q | 95.1 | Very high | 96.2 | Very high | 106 Ų | 106 | 62.7 Ų | 62.7 | 50% | 0.495 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 131.1 | 178.2 | -66.4 | -62.2 | -36.6 | 0 | 0 | 110.9 | C46 F48 S49 L54 | C46-Q52 PolarHBondContact O-NE2 3.39Å; F48-Q52 PolarHBondContact O-N 3.01Å; F48-Q52 PolarHBondContact O-NE2 3.29Å; S49-Q52 WeakPolarHBondContact O-CG 3.48Å; Q52-L54 VanDerWaalsContact C-N 3.28Å; Q52-L54 PolarHBondContact O-N 3.21Å |
| 53 | G | 95.8 | Very high | 96.1 | Very high | 78 Ų | 78 | 66 Ų | 66 | 80% | 0.804 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.3 | -0.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115 | L51 | L51-G53 PolarHBondContact O-N 2.84Š|
| 54 | L | 97.5 | Very high | 96.2 | Very high | 53 Ų | 53 | 61.5 Ų | 61.5 | 28% | 0.277 | 35% | 0.349 | S | S | . | . | trans | -90.9 | 159.9 | 173.4 | -54.9 | -175.8 | 0 | 0 | 0 | 111.2 | I45 L51 Q52 N58 F59 S62 | I45-L54 HydrophobicContact CG2-CB 4.32Å; L51-L54 HydrophobicContact CB-CD1 4.22Å; L51-L54 HydrophobicContact CD2-CD1 3.96Å; L51-L54 WeakPolarHBondContact O-CB 3.33Å; L51-L54 PolarHBondContact O-N 3.48Å; L51-L54 VanDerWaalsContact O-N 3.09Å; Q52-L54 VanDerWaalsContact C-N 3.28Å; Q52-L54 PolarHBondContact O-N 3.21Å; L54-N58 WeakPolarHBondContact CA-OD1 3.48Å; L54-N58 VanDerWaalsContact CB-OD1 3.28Å; L54-N58 WeakPolarHBondContact CB-OD1 3.48Å; L54-F59 HydrophobicContact CB-CB 4.16Å; L54-F59 HydrophobicContact CD1-CB 4.47Å; L54-S62 VanDerWaalsContact CD1-CB 3.42Å | ||
| 55 | D | 96.4 | Very high | 96.2 | Very high | 78 Ų | 78 | 60.8 Ų | 60.8 | 42% | 0.417 | 35% | 0.346 | S | S | . | . | trans | -137.6 | -177.8 | 177.3 | 66.5 | 35.9 | 0 | 0 | 0 | 111.1 | S57 N58 F59 | D55-S57 PolarHBondContact O-N 3.38Å; D55-S57 WeakPolarHBondContact OD1-CA 3.41Å; D55-S57 WeakPolarHBondContact OD1-CB 3.31Å; D55-S57 PolarHBondContact OD1-N 2.93Å; D55-S57 PolarHBondContact OD1-OG 3.08Å; D55-N58 PolarHBondContact N-OD1 3.38Å; D55-N58 PolarHBondContact O-N 3.13Å; D55-N58 VanDerWaalsContact O-N 3.12Å; D55-N58 PolarHBondContact O-OD1 3.18Å; D55-F59 WeakPolarHBondContact O-CB 3.4Å; D55-F59 WeakPolarHBondContact O-CD1 3.45Å; D55-F59 PolarHBondContact O-N 2.76Å | ||
| 56 | V | 95.9 | Very high | 96.2 | Very high | 78 Ų | 78 | 63.8 Ų | 63.8 | 47% | 0.473 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -20.6 | -178.8 | -65.2 | 0 | 0 | 0 | 0 | 114.5 | P42 I45 | P42-V56 HydrophobicContact CB-CG1 3.54Å; P42-V56 HydrophobicContact CG-CG1 3.67Å; I45-V56 HydrophobicContact CD1-CG1 4.12Å |
| 57 | S | 96.3 | Very high | 96.3 | Very high | 87 Ų | 87 | 64.4 Ų | 64.4 | 61% | 0.608 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -23.4 | -179.4 | 76.8 | 0 | 0 | 0 | 0 | 113.3 | D55 | D55-S57 PolarHBondContact O-N 3.38Å; D55-S57 WeakPolarHBondContact OD1-CA 3.41Å; D55-S57 WeakPolarHBondContact OD1-CB 3.31Å; D55-S57 PolarHBondContact OD1-N 2.93Å; D55-S57 PolarHBondContact OD1-OG 3.08Å |
| 58 | N | 96.8 | Very high | 96.4 | Very high | 55 Ų | 55 | 62.1 Ų | 62.1 | 29% | 0.294 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.3 | -16.1 | -169.1 | 65.4 | 23 | 0 | 0 | 0 | 115.6 | L54 D55 A60 Q61 | L54-N58 WeakPolarHBondContact CA-OD1 3.48Å; L54-N58 VanDerWaalsContact CB-OD1 3.28Å; L54-N58 WeakPolarHBondContact CB-OD1 3.48Å; D55-N58 PolarHBondContact N-OD1 3.38Å; D55-N58 PolarHBondContact O-N 3.13Å; D55-N58 VanDerWaalsContact O-N 3.12Å; D55-N58 PolarHBondContact O-OD1 3.18Å; N58-A60 PolarHBondContact O-N 2.99Å; N58-A60 VanDerWaalsContact O-N 3.14Å; N58-Q61 PolarHBondContact O-N 3.15Å; N58-Q61 VanDerWaalsContact O-N 3.08Å |
| 59 | F | 97.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -58.2 | -35.6 | -175 | 81.6 | -85.8 | 0 | 0 | 0 | 112.9 | E35 L38 K39 I45 L54 D55 Q61 S62 L65 | E35-F59 HydrophobicContact CG-CZ 4.34Å; L38-F59 HydrophobicContact CB-CD2 4.21Å; L38-F59 HydrophobicContact CB-CE1 4.46Å; L38-F59 HydrophobicContact CB-CE2 3.68Å; L38-F59 HydrophobicContact CB-CZ 3.81Å; L38-F59 HydrophobicContact CD1-CD2 3.8Å; L38-F59 HydrophobicContact CD1-CE2 3.89Å; L38-F59 HydrophobicContact CG-CE2 4.37Å; K39-F59 HydrophobicContact CG-CE1 4.16Å; K39-F59 HydrophobicContact CG-CZ 4.07Å; I45-F59 HydrophobicContact CD1-CB 4.39Å; I45-F59 HydrophobicContact CD1-CD1 3.9Å; I45-F59 HydrophobicContact CD1-CE1 4.45Å; I45-F59 HydrophobicContact CD1-CG 4.16Å; I45-F59 HydrophobicContact CG2-CB 4.41Å; L54-F59 HydrophobicContact CB-CB 4.16Å; L54-F59 HydrophobicContact CD1-CB 4.47Å; D55-F59 WeakPolarHBondContact O-CB 3.4Å; D55-F59 WeakPolarHBondContact O-CD1 3.45Å; D55-F59 PolarHBondContact O-N 2.76Å; F59-Q61 PolarHBondContact O-N 3.32Å; F59-S62 WeakPolarHBondContact O-CB 3.44Å; F59-S62 PolarHBondContact O-N 3.44Å; F59-S62 VanDerWaalsContact O-N 3.11Å; F59-S62 PolarHBondContact O-OG 2.85Å; F59-L65 HydrophobicContact CD2-CD1 4.11Å; F59-L65 HydrophobicContact CD2-CD2 3.93Å; F59-L65 HydrophobicContact CE2-CD1 4.41Å; F59-L65 HydrophobicContact CE2-CD2 4.03Å |
| 60 | A | 95.6 | Very high | 96.5 | Very high | 41 Ų | 41 | 61.7 Ų | 61.7 | 34% | 0.339 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -61.3 | -22 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | N58 | N58-A60 PolarHBondContact O-N 2.99Å; N58-A60 VanDerWaalsContact O-N 3.14Å |
| 61 | Q | 94.3 | Very high | 96.5 | Very high | 160 Ų | 160 | 57.9 Ų | 57.9 | 75% | 0.748 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -97.4 | -0.8 | -178 | -59.5 | 173.6 | 19.3 | 0 | 0 | 112.6 | N58 F59 | N58-Q61 PolarHBondContact O-N 3.15Å; N58-Q61 VanDerWaalsContact O-N 3.08Å; F59-Q61 PolarHBondContact O-N 3.32Å |
| 62 | S | 95.9 | Very high | 96.5 | Very high | 18 Ų | 18 | 59.3 Ų | 59.3 | 13% | 0.126 | 32% | 0.324 | C | S | . | . | trans | -83.4 | 143.4 | -171.3 | 71.8 | 0 | 0 | 0 | 0 | 113.6 | L51 L54 F59 G64 L65 K66 | L51-S62 VanDerWaalsContact CD2-OG 3.31Å; L51-S62 WeakPolarHBondContact CD2-OG 3.5Å; L54-S62 VanDerWaalsContact CD1-CB 3.42Å; F59-S62 WeakPolarHBondContact O-CB 3.44Å; F59-S62 PolarHBondContact O-N 3.44Å; F59-S62 VanDerWaalsContact O-N 3.11Å; F59-S62 PolarHBondContact O-OG 2.85Å; S62-G64 PolarHBondContact O-N 3.23Å; S62-L65 WeakPolarHBondContact O-CB 3.33Å; S62-L65 PolarHBondContact O-N 3.4Å; S62-L65 VanDerWaalsContact O-N 3.09Å; S62-L65 WeakPolarHBondContact OG-CB 3.46Å; S62-L65 PolarHBondContact OG-N 2.87Å; S62-L65 VanDerWaalsContact OG-N 3.14Å; S62-K66 PolarHBondContact O-N 3.42Å | ||
| 63 | E | 95.7 | Very high | 96.6 | Very high | 126 Ų | 126 | 54.2 Ų | 54.2 | 59% | 0.589 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -61.8 | -26.8 | 168.6 | -68.2 | -58.6 | 129 | 0 | 0 | 112.2 | L65 K66 Y67 | E63-L65 VanDerWaalsContact C-N 3.31Å; E63-L65 PolarHBondContact O-N 2.91Å; E63-K66 PolarHBondContact O-N 2.97Å; E63-K66 IonicContact OE1-NZ 2.61Å; E63-K66 PolarHBondContact OE1-NZ 3.26Å; E63-K66 IonicContact OE2-NZ 3.52Å; E63-Y67 PolarHBondContact O-N 3.3Å; E63-Y67 VanDerWaalsContact O-N 3.16Å |
| 64 | G | 97 | Very high | 96.7 | Very high | 9 Ų | 9 | 53.9 Ų | 53.9 | 9% | 0.093 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.1 | -42.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112 | S62 Y67 Y68 | S62-G64 PolarHBondContact O-N 3.23Å; G64-Y67 WeakPolarHBondContact O-CB 3.34Å; G64-Y67 PolarHBondContact O-N 3.05Å; G64-Y68 WeakPolarHBondContact O-CD2 3.35Å; G64-Y68 PolarHBondContact O-N 2.84Å |
| 65 | L | 97.6 | Very high | 96.6 | Very high | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.9 | -42.2 | 179 | -164.7 | 67.5 | 0 | 0 | 0 | 111.9 | L31 Y34 L38 L51 F59 S62 E63 Y67 Y68 A69 | L31-L65 HydrophobicContact CD2-CB 4.28Å; L31-L65 HydrophobicContact CD2-CD2 3.86Å; L31-L65 HydrophobicContact CD2-CG 3.84Å; Y34-L65 HydrophobicContact CD1-CD1 4.39Å; Y34-L65 HydrophobicContact CG-CD1 4.01Å; L38-L65 HydrophobicContact CD1-CD1 4.04Å; L51-L65 HydrophobicContact CD1-CD1 4.25Å; L51-L65 HydrophobicContact CD2-CB 4.32Å; F59-L65 HydrophobicContact CD2-CD1 4.11Å; F59-L65 HydrophobicContact CD2-CD2 3.93Å; F59-L65 HydrophobicContact CE2-CD1 4.41Å; F59-L65 HydrophobicContact CE2-CD2 4.03Å; S62-L65 WeakPolarHBondContact O-CB 3.33Å; S62-L65 PolarHBondContact O-N 3.4Å; S62-L65 VanDerWaalsContact O-N 3.09Å; S62-L65 WeakPolarHBondContact OG-CB 3.46Å; S62-L65 PolarHBondContact OG-N 2.87Å; S62-L65 VanDerWaalsContact OG-N 3.14Å; E63-L65 VanDerWaalsContact C-N 3.31Å; E63-L65 PolarHBondContact O-N 2.91Å; L65-Y67 VanDerWaalsContact C-N 3.28Å; L65-Y67 PolarHBondContact O-N 2.8Å; L65-Y68 PolarHBondContact O-N 3.34Å; L65-Y68 VanDerWaalsContact O-N 3.09Å; L65-A69 WeakPolarHBondContact O-CB 3.36Å; L65-A69 PolarHBondContact O-N 2.98Å |
| 66 | K | 97.3 | Very high | 96.7 | Very high | 68 Ų | 68 | 49.1 Ų | 49.1 | 30% | 0.296 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -58.4 | -39.6 | 175.7 | -66.1 | -179.1 | -176.9 | 168.1 | 0 | 112.6 | L31 S62 E63 R70 | L31-K66 HydrophobicContact CD2-CG 4.17Å; S62-K66 PolarHBondContact O-N 3.42Å; E63-K66 PolarHBondContact O-N 2.97Å; E63-K66 IonicContact OE1-NZ 2.61Å; E63-K66 PolarHBondContact OE1-NZ 3.26Å; E63-K66 IonicContact OE2-NZ 3.52Å; K66-R70 PolarHBondContact O-N 2.99Å; K66-R70 PolarHBondContact O-NE 3.27Å |
| 67 | Y | 97.1 | Very high | 96.8 | Very high | 79 Ų | 79 | 46.1 Ų | 46.1 | 31% | 0.31 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.6 | -50.9 | 172.5 | 171.1 | -96.6 | 0 | 0 | 0 | 111.3 | R50 E63 G64 L65 A69 R70 T71 | R50-Y67 VanDerWaalsContact NH1-CD2 3.3Å; R50-Y67 VanDerWaalsContact NH1-CG 3.28Å; E63-Y67 PolarHBondContact O-N 3.3Å; E63-Y67 VanDerWaalsContact O-N 3.16Å; G64-Y67 WeakPolarHBondContact O-CB 3.34Å; G64-Y67 PolarHBondContact O-N 3.05Å; L65-Y67 VanDerWaalsContact C-N 3.28Å; L65-Y67 PolarHBondContact O-N 2.8Å; Y67-A69 PolarHBondContact O-N 3.17Å; Y67-R70 PolarHBondContact O-N 3.27Å; Y67-T71 HydrophobicContact CD2-CG2 4.43Å; Y67-T71 HydrophobicContact CE1-CG2 4.11Å; Y67-T71 HydrophobicContact CE2-CG2 4Å; Y67-T71 WeakPolarHBondContact O-CG2 3.4Å; Y67-T71 PolarHBondContact O-N 3.16Å; Y67-T71 VanDerWaalsContact O-N 3.11Å; Y67-T71 PolarHBondContact O-OG1 2.73Å |
| 68 | Y | 97.3 | Very high | 96.8 | Very high | 11 Ų | 11 | 44.5 Ų | 44.5 | 4% | 0.043 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.9 | -40.3 | -178.9 | -67.9 | -57.6 | 0 | 0 | 0 | 112.5 | Y34 F48 S49 R50 L51 G64 L65 R70 T71 F72 | Y34-Y68 VanDerWaalsContact CE2-O 3.29Å; Y34-Y68 WeakPolarHBondContact CE2-O 3.4Å; F48-Y68 HydrophobicContact CB-CD2 4.35Å; F48-Y68 HydrophobicContact CB-CE2 3.64Å; F48-Y68 AromaticContact CD1-CD1 3.99Å; F48-Y68 HydrophobicContact CD1-CD1 3.99Å; F48-Y68 AromaticContact CD1-CD2 3.87Å; F48-Y68 HydrophobicContact CD1-CD2 3.87Å; F48-Y68 AromaticContact CD1-CE1 3.89Å; F48-Y68 HydrophobicContact CD1-CE1 3.89Å; F48-Y68 AromaticContact CD1-CE2 3.77Å; F48-Y68 HydrophobicContact CD1-CE2 3.77Å; F48-Y68 AromaticContact CD1-CG 3.99Å; F48-Y68 HydrophobicContact CD1-CG 3.99Å; F48-Y68 AromaticContact CD1-CZ 3.78Å; F48-Y68 HydrophobicContact CE1-CD1 4.47Å; F48-Y68 HydrophobicContact CE1-CG 4.5Å; F48-Y68 HydrophobicContact CG-CD2 4.44Å; F48-Y68 HydrophobicContact CG-CE2 4.13Å; S49-Y68 PolarHBondContact N-OH 2.95Å; S49-Y68 VanDerWaalsContact N-OH 3.17Å; S49-Y68 PolarHBondContact OG-OH 3Å; R50-Y68 HydrophobicContact CB-CE2 3.72Å; R50-Y68 HydrophobicContact CG-CE2 4.27Å; R50-Y68 PolarHBondContact N-OH 2.86Å; L51-Y68 HydrophobicContact CD1-CD2 4.41Å; L51-Y68 HydrophobicContact CD2-CD2 4.45Å; L51-Y68 HydrophobicContact CD2-CE2 4.46Å; L51-Y68 HydrophobicContact CG-CD2 4.26Å; L51-Y68 HydrophobicContact CG-CE2 4.02Å; G64-Y68 WeakPolarHBondContact O-CD2 3.35Å; G64-Y68 PolarHBondContact O-N 2.84Å; L65-Y68 PolarHBondContact O-N 3.34Å; L65-Y68 VanDerWaalsContact O-N 3.09Å; Y68-R70 PolarHBondContact O-N 3.13Å; Y68-T71 WeakPolarHBondContact CA-OG1 3.38Å; Y68-T71 PolarHBondContact O-N 3.11Å; Y68-T71 PolarHBondContact O-OG1 2.93Å; Y68-F72 WeakPolarHBondContact O-CB 3.24Å; Y68-F72 PolarHBondContact O-N 3.37Å |
| 69 | A | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -52.8 | -52.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | E27 G30 L31 L65 Y67 T71 F72 V73 | E27-A69 HydrophobicContact CG-CB 4.47Å; G30-A69 VanDerWaalsContact C-CB 3.42Å; L31-A69 HydrophobicContact CD2-CB 3.95Å; L31-A69 HydrophobicContact CG-CB 3.9Å; L65-A69 WeakPolarHBondContact O-CB 3.36Å; L65-A69 PolarHBondContact O-N 2.98Å; Y67-A69 PolarHBondContact O-N 3.17Å; A69-T71 PolarHBondContact O-N 3.05Å; A69-F72 PolarHBondContact O-N 2.97Å; A69-V73 PolarHBondContact O-N 2.91Å; A69-V73 VanDerWaalsContact O-N 3.17Å |
| 70 | R | 96.5 | Very high | 96.9 | Very high | 113 Ų | 113 | 42.3 Ų | 42.3 | 43% | 0.426 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.1 | -45.7 | 177.2 | -71.9 | -175.8 | -70.1 | 175.6 | -6.6 | 112.4 | E27 K66 Y67 Y68 F72 V73 S74 | E27-R70 HydrophobicContact CB-CG 3.88Å; E27-R70 HydrophobicContact CG-CG 4.01Å; E27-R70 WeakPolarHBondContact OE2-CD 3.43Å; E27-R70 WeakPolarHBondContact OE2-CG 3.44Å; E27-R70 IonicContact OE2-CZ 3.89Å; E27-R70 IonicContact OE2-NE 3.8Å; E27-R70 PolarHBondContact OE2-NE 3.37Å; K66-R70 PolarHBondContact O-N 2.99Å; K66-R70 PolarHBondContact O-NE 3.27Å; Y67-R70 PolarHBondContact O-N 3.27Å; Y68-R70 PolarHBondContact O-N 3.13Å; R70-F72 VanDerWaalsContact C-N 3.29Å; R70-F72 PolarHBondContact O-N 2.84Å; R70-V73 PolarHBondContact O-N 3.42Å; R70-S74 VanDerWaalsContact O-CB 3.31Å; R70-S74 WeakPolarHBondContact O-CB 3.25Å; R70-S74 PolarHBondContact O-N 2.81Å; R70-S74 PolarHBondContact O-OG 2.98Å |
| 71 | T | 96 | Very high | 97 | Very high | 54 Ų | 54 | 46.3 Ų | 46.3 | 33% | 0.331 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.2 | -35.6 | 179.8 | 58.2 | 0 | 0 | 0 | 0 | 112.5 | Y67 Y68 A69 A75 | Y67-T71 HydrophobicContact CD2-CG2 4.43Å; Y67-T71 HydrophobicContact CE1-CG2 4.11Å; Y67-T71 HydrophobicContact CE2-CG2 4Å; Y67-T71 WeakPolarHBondContact O-CG2 3.4Å; Y67-T71 PolarHBondContact O-N 3.16Å; Y67-T71 VanDerWaalsContact O-N 3.11Å; Y67-T71 PolarHBondContact O-OG1 2.73Å; Y68-T71 WeakPolarHBondContact CA-OG1 3.38Å; Y68-T71 PolarHBondContact O-N 3.11Å; Y68-T71 PolarHBondContact O-OG1 2.93Å; A69-T71 PolarHBondContact O-N 3.05Å; T71-A75 WeakPolarHBondContact O-CB 3.36Å; T71-A75 PolarHBondContact O-N 2.8Å; T71-A75 VanDerWaalsContact O-N 3.08Å |
| 72 | F | 97.4 | Very high | 97.2 | Very high | 29 Ų | 29 | 39.2 Ų | 39.2 | 13% | 0.127 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.3 | -50.1 | 178.1 | 168.4 | -100.6 | 0 | 0 | 0 | 111.6 | V33 Y34 Y68 A69 R70 S74 A75 L76 F117 | V33-F72 HydrophobicContact CB-CD1 4.48Å; V33-F72 HydrophobicContact CB-CE1 4.07Å; V33-F72 HydrophobicContact CG1-CD1 4.3Å; V33-F72 HydrophobicContact CG1-CE1 3.74Å; V33-F72 HydrophobicContact CG1-CZ 3.89Å; V33-F72 HydrophobicContact CG2-CE1 3.92Å; Y34-F72 HydrophobicContact CE2-CB 3.59Å; Y34-F72 HydrophobicContact CE2-CG 4.18Å; Y68-F72 WeakPolarHBondContact O-CB 3.24Å; Y68-F72 PolarHBondContact O-N 3.37Å; A69-F72 PolarHBondContact O-N 2.97Å; R70-F72 VanDerWaalsContact C-N 3.29Å; R70-F72 PolarHBondContact O-N 2.84Å; F72-S74 VanDerWaalsContact C-N 3.31Å; F72-S74 PolarHBondContact O-N 3.46Å; F72-A75 PolarHBondContact O-N 3.3Å; F72-A75 VanDerWaalsContact O-N 3.15Å; F72-L76 HydrophobicContact CE1-CD2 3.78Å; F72-L76 HydrophobicContact CZ-CB 4.32Å; F72-L76 HydrophobicContact CZ-CD2 3.63Å; F72-L76 HydrophobicContact CZ-CG 4.43Å; F72-L76 WeakPolarHBondContact O-CB 3.44Å; F72-L76 PolarHBondContact O-N 3.49Å; F72-F117 HydrophobicContact CD2-CE1 4.25Å; F72-F117 HydrophobicContact CE1-CE1 4.47Å; F72-F117 HydrophobicContact CE2-CD1 4.02Å; F72-F117 AromaticContact CE2-CE1 3.39Å; F72-F117 HydrophobicContact CE2-CE1 3.39Å; F72-F117 HydrophobicContact CE2-CZ 4.36Å; F72-F117 AromaticContact CZ-CD1 3.84Å; F72-F117 HydrophobicContact CZ-CD1 3.84Å; F72-F117 AromaticContact CZ-CE1 3.51Å; F72-F117 HydrophobicContact CZ-CE1 3.51Å |
| 73 | V | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.4 | -35.7 | -179.7 | 179.7 | 0 | 0 | 0 | 0 | 111.3 | V20 Q26 L29 A69 R70 A75 L76 L77 | V20-V73 HydrophobicContact CG1-CG1 4.49Å; Q26-V73 HydrophobicContact CB-CB 4.22Å; Q26-V73 HydrophobicContact CB-CG1 3.69Å; Q26-V73 HydrophobicContact CG-CG1 3.69Å; Q26-V73 VanDerWaalsContact O-CG2 3.23Å; Q26-V73 WeakPolarHBondContact O-CG2 3.34Å; L29-V73 HydrophobicContact CB-CG2 4.38Å; L29-V73 HydrophobicContact CD2-CG2 4.32Å; L29-V73 HydrophobicContact CG-CG2 4.23Å; A69-V73 PolarHBondContact O-N 2.91Å; A69-V73 VanDerWaalsContact O-N 3.17Å; R70-V73 PolarHBondContact O-N 3.42Å; V73-A75 PolarHBondContact O-N 2.94Å; V73-L76 PolarHBondContact O-N 2.85Å; V73-L77 HydrophobicContact CG1-CD1 3.52Å; V73-L77 HydrophobicContact CG1-CG 3.82Å; V73-L77 WeakPolarHBondContact O-CB 3.32Å; V73-L77 WeakPolarHBondContact O-CG 3.39Å; V73-L77 PolarHBondContact O-N 3.22Å |
| 74 | S | 96.3 | Very high | 97.4 | Very high | 70 Ų | 70 | 34.4 Ų | 34.4 | 49% | 0.49 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -61.2 | -30.9 | 173.4 | -60.8 | 0 | 0 | 0 | 0 | 113.2 | R70 F72 P78 | R70-S74 VanDerWaalsContact O-CB 3.31Å; R70-S74 WeakPolarHBondContact O-CB 3.25Å; R70-S74 PolarHBondContact O-N 2.81Å; R70-S74 PolarHBondContact O-OG 2.98Å; F72-S74 VanDerWaalsContact C-N 3.31Å; F72-S74 PolarHBondContact O-N 3.46Å; S74-P78 WeakPolarHBondContact O-CD 3.47Å; S74-P78 VanDerWaalsContact O-CG 3.25Å; S74-P78 WeakPolarHBondContact O-CG 3.36Å |
| 75 | A | 97.2 | Very high | 97.3 | Very high | 20 Ų | 20 | 38 Ų | 38 | 17% | 0.165 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -83.9 | -42.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | T71 F72 V73 P78 M79 E96 | T71-A75 WeakPolarHBondContact O-CB 3.36Å; T71-A75 PolarHBondContact O-N 2.8Å; T71-A75 VanDerWaalsContact O-N 3.08Å; F72-A75 PolarHBondContact O-N 3.3Å; F72-A75 VanDerWaalsContact O-N 3.15Å; V73-A75 PolarHBondContact O-N 2.94Å; A75-P78 WeakPolarHBondContact O-CD 3.34Å; A75-M79 WeakPolarHBondContact O-CG 3.38Å; A75-E96 HydrophobicContact CB-CG 4.07Å; A75-E96 VanDerWaalsContact CB-OE1 3.28Å; A75-E96 WeakPolarHBondContact CB-OE1 3.27Å |
| 76 | L | 97.8 | Very high | 97.2 | Very high | 12 Ų | 12 | 44 Ų | 44 | 6% | 0.063 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.9 | -45.3 | -174.8 | 179 | 65.5 | 0 | 0 | 0 | 112.6 | F72 V73 M79 I80 F121 M134 L138 | F72-L76 HydrophobicContact CE1-CD2 3.78Å; F72-L76 HydrophobicContact CZ-CB 4.32Å; F72-L76 HydrophobicContact CZ-CD2 3.63Å; F72-L76 HydrophobicContact CZ-CG 4.43Å; F72-L76 WeakPolarHBondContact O-CB 3.44Å; F72-L76 PolarHBondContact O-N 3.49Å; V73-L76 PolarHBondContact O-N 2.85Å; L76-M79 WeakPolarHBondContact O-CB 3.32Å; L76-M79 PolarHBondContact O-N 2.91Å; L76-M79 VanDerWaalsContact O-N 3.08Å; L76-I80 HydrophobicContact CD1-CD1 4.12Å; L76-I80 HydrophobicContact CD1-CG1 4.12Å; L76-I80 HydrophobicContact CD2-CD1 4.14Å; L76-I80 HydrophobicContact CG-CD1 3.77Å; L76-I80 HydrophobicContact CG-CG1 4.19Å; L76-I80 WeakPolarHBondContact O-CG1 3.45Å; L76-I80 PolarHBondContact O-N 3.31Å; L76-F121 HydrophobicContact CD2-CE1 4.46Å; L76-F121 HydrophobicContact CD2-CE2 4.02Å; L76-F121 HydrophobicContact CD2-CZ 3.54Å; L76-M134 HydrophobicContact CD1-CE 4.32Å; L76-M134 HydrophobicContact CD2-CE 4.09Å; L76-L138 HydrophobicContact CD1-CD2 4.15Å |
| 77 | L | 97.4 | Very high | 97.1 | Very high | 15 Ų | 15 | 45.5 Ų | 45.5 | 8% | 0.079 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61 | -45.9 | -174.5 | -75 | 175.1 | 0 | 0 | 0 | 113.4 | V20 Q26 V73 M79 I80 K81 | V20-L77 HydrophobicContact CB-CD1 3.83Å; V20-L77 HydrophobicContact CB-CD2 4.24Å; V20-L77 HydrophobicContact CG1-CD1 4.18Å; V20-L77 HydrophobicContact CG1-CD2 4.11Å; V20-L77 HydrophobicContact CG2-CD1 4.2Å; V20-L77 HydrophobicContact CG2-CD2 4.02Å; Q26-L77 HydrophobicContact CG-CD1 4.19Å; V73-L77 HydrophobicContact CG1-CD1 3.52Å; V73-L77 HydrophobicContact CG1-CG 3.82Å; V73-L77 WeakPolarHBondContact O-CB 3.32Å; V73-L77 WeakPolarHBondContact O-CG 3.39Å; V73-L77 PolarHBondContact O-N 3.22Å; L77-M79 VanDerWaalsContact C-N 3.27Å; L77-M79 PolarHBondContact O-N 3.01Å; L77-I80 PolarHBondContact O-N 2.89Å; L77-K81 WeakPolarHBondContact O-CG 3.36Å; L77-K81 PolarHBondContact O-N 2.67Å |
| 78 | P | 97.8 | Very high | 97.1 | Very high | 53 Ų | 53 | 45.2 Ų | 45.2 | 34% | 0.344 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -56.6 | -39.5 | 171.8 | -27.7 | 36.4 | 0 | 0 | 0 | 113.2 | S74 A75 K81 A82 L92 | S74-P78 WeakPolarHBondContact O-CD 3.47Å; S74-P78 VanDerWaalsContact O-CG 3.25Å; S74-P78 WeakPolarHBondContact O-CG 3.36Å; A75-P78 WeakPolarHBondContact O-CD 3.34Å; P78-K81 PolarHBondContact O-N 3.46Å; P78-A82 VanDerWaalsContact O-CB 3.27Å; P78-A82 WeakPolarHBondContact O-CB 3.37Å; P78-A82 PolarHBondContact O-N 3.03Å; P78-L92 HydrophobicContact CB-CD1 4.04Å; P78-L92 HydrophobicContact CB-CD2 4.27Å |
| 79 | M | 98.1 | Very high | 97.1 | Very high | 8 Ų | 8 | 44.8 Ų | 44.8 | 4% | 0.039 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.5 | -41.3 | 178.2 | -66.2 | 179 | -174 | 0 | 0 | 112.3 | A75 L76 L77 A82 A83 L89 L92 E96 V141 I145 | A75-M79 WeakPolarHBondContact O-CG 3.38Å; L76-M79 WeakPolarHBondContact O-CB 3.32Å; L76-M79 PolarHBondContact O-N 2.91Å; L76-M79 VanDerWaalsContact O-N 3.08Å; L77-M79 VanDerWaalsContact C-N 3.27Å; L77-M79 PolarHBondContact O-N 3.01Å; M79-A82 PolarHBondContact O-N 2.81Å; M79-A83 PolarHBondContact O-N 3.46Å; M79-A83 VanDerWaalsContact O-N 3.15Å; M79-L89 HydrophobicContact CB-CD1 3.9Å; M79-L89 HydrophobicContact CG-CD1 4.33Å; M79-L89 WeakPolarHBondContact O-CD1 3.37Å; M79-L92 HydrophobicContact CE-CB 4.31Å; M79-L92 WeakPolarHBondContact CE-O 3.37Å; M79-L92 HydrophobicContact CG-CB 3.95Å; M79-L92 HydrophobicContact CG-CD1 4.37Å; M79-E96 HydrophobicContact CE-CB 3.72Å; M79-E96 HydrophobicContact CE-CG 3.21Å; M79-V141 HydrophobicContact CB-CG2 4.3Å; M79-V141 HydrophobicContact SD-CG1 3.52Å; M79-V141 VanDerWaalsContact SD-CG1 3.52Å; M79-V141 HydrophobicContact SD-CG2 4.19Å; M79-I145 HydrophobicContact CE-CD1 4.12Å; M79-I145 HydrophobicContact SD-CD1 4.41Å |
| 80 | I | 97.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.6 | -48.8 | 174.7 | -63.6 | 171.6 | 0 | 0 | 0 | 109.8 | V9 L12 I13 L16 L76 L77 A82 A83 M134 I137 | V9-I80 VanDerWaalsContact CG1-O 3.32Å; V9-I80 WeakPolarHBondContact CG1-O 3.26Å; L12-I80 HydrophobicContact CD2-CG2 3.77Å; L12-I80 HydrophobicContact CG-CG2 4.3Å; I13-I80 HydrophobicContact CD1-CB 4.33Å; I13-I80 HydrophobicContact CD1-CG2 3.65Å; I13-I80 HydrophobicContact CG1-CG2 4.27Å; L16-I80 HydrophobicContact CD1-CD1 4.08Å; L76-I80 HydrophobicContact CD1-CD1 4.12Å; L76-I80 HydrophobicContact CD1-CG1 4.12Å; L76-I80 HydrophobicContact CD2-CD1 4.14Å; L76-I80 HydrophobicContact CG-CD1 3.77Å; L76-I80 HydrophobicContact CG-CG1 4.19Å; L76-I80 WeakPolarHBondContact O-CG1 3.45Å; L76-I80 PolarHBondContact O-N 3.31Å; L77-I80 PolarHBondContact O-N 2.89Å; I80-A82 PolarHBondContact O-N 3.36Å; I80-A83 WeakPolarHBondContact O-CB 3.34Å; I80-A83 PolarHBondContact O-N 2.86Å; I80-M134 HydrophobicContact CD1-CE 3.86Å; I80-M134 HydrophobicContact CD1-SD 4.02Å; I80-M134 HydrophobicContact CG1-SD 4.32Å; I80-I137 HydrophobicContact CG1-CG2 4.43Å; I80-I137 HydrophobicContact CG2-CD1 4.25Å |
| 81 | K | 97.7 | Very high | 97.2 | Very high | 124 Ų | 124 | 46.9 Ų | 46.9 | 54% | 0.539 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.1 | -32.9 | 179.4 | -70.3 | 177.3 | -178.8 | -177.8 | 0 | 112.7 | I13 L77 P78 A83 | I13-K81 HydrophobicContact CD1-CG 3.71Å; I13-K81 HydrophobicContact CG1-CG 4.21Å; L77-K81 WeakPolarHBondContact O-CG 3.36Å; L77-K81 PolarHBondContact O-N 2.67Å; P78-K81 PolarHBondContact O-N 3.46Å; K81-A83 VanDerWaalsContact C-N 3.35Å |
| 82 | A | 97.7 | Very high | 97.3 | Very high | 11 Ų | 11 | 46 Ų | 46 | 9% | 0.091 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -0.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | P78 M79 I80 A84 N85 E88 L89 L92 | P78-A82 VanDerWaalsContact O-CB 3.27Å; P78-A82 WeakPolarHBondContact O-CB 3.37Å; P78-A82 PolarHBondContact O-N 3.03Å; M79-A82 PolarHBondContact O-N 2.81Å; I80-A82 PolarHBondContact O-N 3.36Å; A82-A84 PolarHBondContact O-N 3.24Å; A82-A84 VanDerWaalsContact O-N 3.1Å; A82-N85 CarbonylContact O-C 3.38Å; A82-N85 WeakPolarHBondContact O-CA 3.45Å; A82-N85 PolarHBondContact O-N 3.44Å; A82-E88 HydrophobicContact CB-CB 4.23Å; A82-E88 HydrophobicContact CB-CG 3.97Å; A82-L89 HydrophobicContact CB-CB 4.45Å; A82-L92 HydrophobicContact CB-CD1 3.67Å |
| 83 | A | 97.8 | Very high | 97.3 | Very high | 6 Ų | 6 | 44.6 Ų | 44.6 | 5% | 0.05 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -25.2 | -167.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | V4 V9 M79 I80 K81 I137 | V4-A83 HydrophobicContact CG1-CB 4.45Å; V9-A83 HydrophobicContact CG2-CB 3.86Å; M79-A83 PolarHBondContact O-N 3.46Å; M79-A83 VanDerWaalsContact O-N 3.15Å; I80-A83 WeakPolarHBondContact O-CB 3.34Å; I80-A83 PolarHBondContact O-N 2.86Å; K81-A83 VanDerWaalsContact C-N 3.35Å; A83-I137 HydrophobicContact CB-CD1 3.54Å; A83-I137 HydrophobicContact CB-CG1 3.65Å; A83-I137 HydrophobicContact CB-CG2 4.36Å |
| 84 | A | 97.3 | Very high | 97.2 | Very high | 37 Ų | 37 | 48.4 Ų | 48.4 | 31% | 0.306 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -9.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | V4 Q6 V9 A82 | V4-A84 WeakPolarHBondContact O-CA 3.24Å; Q6-A84 HydrophobicContact CB-CB 4.13Å; V9-A84 HydrophobicContact CG2-CB 3.96Å; A82-A84 PolarHBondContact O-N 3.24Å; A82-A84 VanDerWaalsContact O-N 3.1Å |
| 85 | N | 96.7 | Very high | 97.3 | Very high | 86 Ų | 86 | 49.4 Ų | 49.4 | 46% | 0.46 | 26% | 0.263 | S | S | . | . | trans | -114.1 | 92.8 | 177.1 | -177.8 | -15.1 | 0 | 0 | 0 | 110.2 | A82 C87 E88 L89 | A82-N85 CarbonylContact O-C 3.38Å; A82-N85 WeakPolarHBondContact O-CA 3.45Å; A82-N85 PolarHBondContact O-N 3.44Å; N85-C87 VanDerWaalsContact C-N 3.29Å; N85-C87 PolarHBondContact O-N 3.31Å; N85-C87 PolarHBondContact OD1-N 3.48Å; N85-E88 HydrophobicContact CB-CB 4.27Å; N85-E88 PolarHBondContact O-N 2.78Å; N85-E88 PolarHBondContact OD1-N 2.87Å; N85-L89 WeakPolarHBondContact O-CB 3.27Å; N85-L89 PolarHBondContact O-N 3.17Å | ||
| 86 | K | 94.2 | Very high | 97.2 | Very high | 127 Ų | 127 | 50.7 Ų | 50.7 | 55% | 0.552 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -54 | -41.9 | -176.1 | -170.4 | -176.2 | -174.1 | -59.3 | 0 | 113.5 | L89 D90 Y140 | K86-L89 PolarHBondContact O-N 3.39Å; K86-D90 IonicContact NZ-OD1 2.62Å; K86-D90 IonicContact NZ-OD2 2.73Å; K86-D90 PolarHBondContact NZ-OD2 3.17Å; K86-D90 WeakPolarHBondContact O-CB 3.29Å; K86-D90 PolarHBondContact O-N 3.38Å; K86-Y140 VanDerWaalsContact CE-OH 3.25Å; K86-Y140 WeakPolarHBondContact CE-OH 3.21Å; K86-Y140 PolarHBondContact NZ-OH 3.49Å |
| 87 | C | 95.7 | Very high | 97.2 | Very high | 100 Ų | 100 | 50.1 Ų | 50.1 | 68% | 0.676 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -64.6 | -43.2 | -177.2 | -174.7 | 0 | 0 | 0 | 0 | 111.6 | N85 K91 | N85-C87 VanDerWaalsContact C-N 3.29Å; N85-C87 PolarHBondContact O-N 3.31Å; N85-C87 PolarHBondContact OD1-N 3.48Å; C87-K91 PolarHBondContact O-N 3.11Å |
| 88 | E | 97.4 | Very high | 97 | Very high | 72 Ų | 72 | 53 Ų | 53 | 34% | 0.336 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -71.6 | -40.1 | 177.9 | -173.1 | 60.6 | -163.9 | 0 | 0 | 111.3 | A82 N85 D90 K91 L92 | A82-E88 HydrophobicContact CB-CB 4.23Å; A82-E88 HydrophobicContact CB-CG 3.97Å; N85-E88 HydrophobicContact CB-CB 4.27Å; N85-E88 PolarHBondContact O-N 2.78Å; N85-E88 PolarHBondContact OD1-N 2.87Å; E88-D90 VanDerWaalsContact C-N 3.35Å; E88-D90 PolarHBondContact O-N 3.09Å; E88-K91 WeakPolarHBondContact O-CB 3.23Å; E88-K91 PolarHBondContact O-N 3.31Å; E88-L92 HydrophobicContact CG-CD1 4.35Å; E88-L92 WeakPolarHBondContact O-CG 3.43Å; E88-L92 PolarHBondContact O-N 2.98Å |
| 89 | L | 97.7 | Very high | 96.8 | Very high | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.016 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.2 | -45.1 | 175.4 | -176.4 | 61.8 | 0 | 0 | 0 | 111.9 | M79 A82 N85 K86 K91 L92 C93 Y140 V141 | M79-L89 HydrophobicContact CB-CD1 3.9Å; M79-L89 HydrophobicContact CG-CD1 4.33Å; M79-L89 WeakPolarHBondContact O-CD1 3.37Å; A82-L89 HydrophobicContact CB-CB 4.45Å; N85-L89 WeakPolarHBondContact O-CB 3.27Å; N85-L89 PolarHBondContact O-N 3.17Å; K86-L89 PolarHBondContact O-N 3.39Å; L89-K91 VanDerWaalsContact C-N 3.33Å; L89-K91 PolarHBondContact O-N 2.92Å; L89-L92 PolarHBondContact O-N 2.89Å; L89-C93 PolarHBondContact O-N 3.38Å; L89-C93 PolarHBondContact O-SG 3.27Å; L89-Y140 HydrophobicContact CD2-CD1 3.4Å; L89-Y140 VanDerWaalsContact CD2-CD1 3.4Å; L89-Y140 HydrophobicContact CD2-CE1 3.55Å; L89-Y140 HydrophobicContact CD2-CG 4.41Å; L89-Y140 HydrophobicContact CG-CD1 4.12Å; L89-Y140 HydrophobicContact CG-CE1 3.99Å; L89-V141 HydrophobicContact CD1-CG2 3.96Å |
| 90 | D | 97.1 | Very high | 96.7 | Very high | 39 Ų | 39 | 54.6 Ų | 54.6 | 21% | 0.209 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.6 | -43.7 | 178 | -72.4 | -14 | 0 | 0 | 0 | 111.3 | K86 E88 L92 C93 L94 Y140 | K86-D90 IonicContact NZ-OD1 2.62Å; K86-D90 IonicContact NZ-OD2 2.73Å; K86-D90 PolarHBondContact NZ-OD2 3.17Å; K86-D90 WeakPolarHBondContact O-CB 3.29Å; K86-D90 PolarHBondContact O-N 3.38Å; E88-D90 VanDerWaalsContact C-N 3.35Å; E88-D90 PolarHBondContact O-N 3.09Å; D90-L92 PolarHBondContact O-N 3.2Å; D90-C93 PolarHBondContact O-N 3.42Å; D90-L94 WeakPolarHBondContact O-CG 3.49Å; D90-L94 PolarHBondContact O-N 3.47Å; D90-Y140 WeakPolarHBondContact OD1-CE1 3.39Å; D90-Y140 PolarHBondContact OD1-OH 2.75Å |
| 91 | K | 97.8 | Very high | 96.3 | Very high | 117 Ų | 117 | 59.9 Ų | 59.9 | 51% | 0.509 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.3 | -45.1 | 176.7 | -178.6 | -173.2 | 172.1 | -165.3 | 0 | 111.7 | C87 E88 L89 L94 N95 | C87-K91 PolarHBondContact O-N 3.11Å; E88-K91 WeakPolarHBondContact O-CB 3.23Å; E88-K91 PolarHBondContact O-N 3.31Å; L89-K91 VanDerWaalsContact C-N 3.33Å; L89-K91 PolarHBondContact O-N 2.92Å; K91-L94 PolarHBondContact O-N 3.15Å; K91-N95 PolarHBondContact O-N 3.27Å; K91-N95 VanDerWaalsContact O-N 3.09Å; K91-N95 PolarHBondContact O-ND2 2.86Å |
| 92 | L | 98 | Very high | 95.7 | Very high | 35 Ų | 35 | 61.3 Ų | 61.3 | 18% | 0.183 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.6 | -42.5 | 176.6 | -68.5 | 168.8 | 0 | 0 | 0 | 111.5 | P78 M79 A82 E88 L89 D90 L94 N95 E96 | P78-L92 HydrophobicContact CB-CD1 4.04Å; P78-L92 HydrophobicContact CB-CD2 4.27Å; M79-L92 HydrophobicContact CE-CB 4.31Å; M79-L92 WeakPolarHBondContact CE-O 3.37Å; M79-L92 HydrophobicContact CG-CB 3.95Å; M79-L92 HydrophobicContact CG-CD1 4.37Å; A82-L92 HydrophobicContact CB-CD1 3.67Å; E88-L92 HydrophobicContact CG-CD1 4.35Å; E88-L92 WeakPolarHBondContact O-CG 3.43Å; E88-L92 PolarHBondContact O-N 2.98Å; L89-L92 PolarHBondContact O-N 2.89Å; D90-L92 PolarHBondContact O-N 3.2Å; L92-L94 PolarHBondContact O-N 3.35Å; L92-N95 PolarHBondContact O-N 2.89Å; L92-E96 PolarHBondContact O-N 3.25Å; L92-E96 VanDerWaalsContact O-N 3.09Å |
| 93 | C | 97.7 | Very high | 95.4 | Very high | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.007 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.7 | -43.1 | 176.1 | -66.9 | 0 | 0 | 0 | 0 | 111.8 | L89 D90 N95 E96 A97 T144 I145 | L89-C93 PolarHBondContact O-N 3.38Å; L89-C93 PolarHBondContact O-SG 3.27Å; D90-C93 PolarHBondContact O-N 3.42Å; C93-N95 VanDerWaalsContact C-N 3.34Å; C93-N95 PolarHBondContact O-N 3.01Å; C93-E96 PolarHBondContact O-N 3.32Å; C93-A97 PolarHBondContact O-N 2.96Å; C93-T144 HydrophobicContact CB-CG2 3.64Å; C93-I145 HydrophobicContact CB-CG1 3.88Å; C93-I145 WeakPolarHBondContact O-CG1 3.43Å |
| 94 | L | 96.8 | Very high | 95.1 | Very high | 79 Ų | 79 | 72 Ų | 72 | 41% | 0.414 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.4 | -39.6 | 177.6 | -71.5 | 174.5 | 0 | 0 | 0 | 112.3 | D90 K91 L92 E96 A97 V98 Q148 | D90-L94 WeakPolarHBondContact O-CG 3.49Å; D90-L94 PolarHBondContact O-N 3.47Å; K91-L94 PolarHBondContact O-N 3.15Å; L92-L94 PolarHBondContact O-N 3.35Å; L94-E96 VanDerWaalsContact C-N 3.35Å; L94-A97 PolarHBondContact O-N 2.61Å; L94-V98 WeakPolarHBondContact O-CG2 3.21Å; L94-V98 PolarHBondContact O-N 3.35Å; L94-Q148 HydrophobicContact CD2-CG 3.88Å |
| 95 | N | 96.6 | Very high | 94.9 | Very high | 91 Ų | 91 | 71.7 Ų | 71.7 | 49% | 0.487 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.5 | -43.9 | 175.1 | -70.3 | -20.3 | 0 | 0 | 0 | 111.4 | K91 L92 C93 V98 V99 | K91-N95 PolarHBondContact O-N 3.27Å; K91-N95 VanDerWaalsContact O-N 3.09Å; K91-N95 PolarHBondContact O-ND2 2.86Å; L92-N95 PolarHBondContact O-N 2.89Å; C93-N95 VanDerWaalsContact C-N 3.34Å; C93-N95 PolarHBondContact O-N 3.01Å; N95-V98 PolarHBondContact O-N 3.3Å; N95-V99 PolarHBondContact O-N 3.21Å |
| 96 | E | 96.2 | Very high | 94.7 | Very high | 48 Ų | 48 | 71.6 Ų | 71.6 | 22% | 0.224 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -69.6 | -32.6 | 176.2 | -81.2 | -51.5 | 148 | 0 | 0 | 113.5 | A75 M79 L92 C93 L94 V98 V99 H100 I145 | A75-E96 HydrophobicContact CB-CG 4.07Å; A75-E96 VanDerWaalsContact CB-OE1 3.28Å; A75-E96 WeakPolarHBondContact CB-OE1 3.27Å; M79-E96 HydrophobicContact CE-CB 3.72Å; M79-E96 HydrophobicContact CE-CG 3.21Å; L92-E96 PolarHBondContact O-N 3.25Å; L92-E96 VanDerWaalsContact O-N 3.09Å; C93-E96 PolarHBondContact O-N 3.32Å; L94-E96 VanDerWaalsContact C-N 3.35Å; E96-V98 VanDerWaalsContact C-N 3.3Å; E96-V98 PolarHBondContact O-N 2.8Å; E96-V99 WeakPolarHBondContact O-CB 3.5Å; E96-V99 PolarHBondContact O-N 3.08Å; E96-V99 VanDerWaalsContact O-N 3.13Å; E96-H100 PolarHBondContact O-N 2.94Å; E96-H100 PolarHBondContact O-ND1 3.25Å; E96-H100 IonicContact OE2-CE1 3.54Å; E96-I145 HydrophobicContact CB-CD1 3.85Å; E96-I145 HydrophobicContact CB-CG1 4.37Å |
| 97 | A | 96.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59.2 | -42.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | C93 L94 V99 H100 R101 I145 Q148 | C93-A97 PolarHBondContact O-N 2.96Å; L94-A97 PolarHBondContact O-N 2.61Å; A97-V99 PolarHBondContact O-N 3.15Å; A97-H100 PolarHBondContact O-N 3.36Å; A97-R101 WeakPolarHBondContact O-CG 3.49Å; A97-R101 PolarHBondContact O-N 2.99Å; A97-I145 HydrophobicContact CB-CG2 4.21Å; A97-Q148 HydrophobicContact CB-CB 3.5Å |
| 98 | V | 95.1 | Very high | 94.9 | Very high | 75 Ų | 75 | 70.4 Ų | 70.4 | 46% | 0.455 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -57.5 | -37.6 | 176.1 | 173.2 | 0 | 0 | 0 | 0 | 111.9 | L94 N95 E96 H100 | L94-V98 WeakPolarHBondContact O-CG2 3.21Å; L94-V98 PolarHBondContact O-N 3.35Å; N95-V98 PolarHBondContact O-N 3.3Å; E96-V98 VanDerWaalsContact C-N 3.3Å; E96-V98 PolarHBondContact O-N 2.8Å; V98-H100 PolarHBondContact O-N 2.94Å |
| 99 | V | 92.3 | Very high | 94.8 | Very high | 59 Ų | 59 | 68.7 Ų | 68.7 | 36% | 0.358 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -67.9 | -25.2 | 178.8 | 174.3 | 0 | 0 | 0 | 0 | 112 | N95 E96 A97 R103 | N95-V99 PolarHBondContact O-N 3.21Å; E96-V99 WeakPolarHBondContact O-CB 3.5Å; E96-V99 PolarHBondContact O-N 3.08Å; E96-V99 VanDerWaalsContact O-N 3.13Å; A97-V99 PolarHBondContact O-N 3.15Å; V99-R103 VanDerWaalsContact O-CD 3.31Å; V99-R103 WeakPolarHBondContact O-CD 3.28Å; V99-R103 PolarHBondContact O-NE 3.24Å |
| 100 | H | 95.6 | Very high | 94.8 | Very high | 35 Ų | 35 | 69.5 Ų | 69.5 | 16% | 0.162 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -93.5 | -29.3 | 179.6 | -68.9 | 80.4 | 0 | 0 | 0 | 114.2 | E96 A97 V98 N102 R103 V105 F110 I149 | E96-H100 PolarHBondContact O-N 2.94Å; E96-H100 PolarHBondContact O-ND1 3.25Å; E96-H100 IonicContact OE2-CE1 3.54Å; A97-H100 PolarHBondContact O-N 3.36Å; V98-H100 PolarHBondContact O-N 2.94Å; H100-N102 PolarHBondContact O-N 3.03Å; H100-N102 VanDerWaalsContact O-N 3.07Å; H100-R103 WeakPolarHBondContact O-CB 3.23Å; H100-R103 PolarHBondContact O-N 3.17Å; H100-V105 HydrophobicContact CB-CG1 4.25Å; H100-F110 AromaticContact CD2-CE2 3.86Å; H100-F110 AromaticContact NE2-CE2 3.81Å; H100-I149 HydrophobicContact CB-CD1 3.54Å; H100-I149 HydrophobicContact CB-CG1 3.72Å |
| 101 | R | 91 | Very high | 94.8 | Very high | 112 Ų | 112 | 69.8 Ų | 69.8 | 42% | 0.423 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -50.8 | -35.1 | -177.6 | -78.7 | 175.2 | -173.4 | 167.2 | 2.2 | 115.4 | A97 Q148 | A97-R101 WeakPolarHBondContact O-CG 3.49Å; A97-R101 PolarHBondContact O-N 2.99Å; R101-Q148 PolarHBondContact NE-O 3.08Å; R101-Q148 PolarHBondContact NH2-O 3.43Å; R101-Q148 VanDerWaalsContact NH2-O 3.07Å |
| 102 | N | 85.1 | Confident | 94.8 | Very high | 154 Ų | 154 | 67.2 Ų | 67.2 | 82% | 0.824 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | 15.1 | -176.9 | -63.4 | -42.9 | 0 | 0 | 0 | 113.2 | H100 | H100-N102 PolarHBondContact O-N 3.03Å; H100-N102 VanDerWaalsContact O-N 3.07Å |
| 103 | R | 90.5 | Very high | 94.7 | Very high | 112 Ų | 112 | 65.9 Ų | 65.9 | 42% | 0.423 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -108.1 | 170.5 | -178.3 | -64.1 | -177.5 | 177.8 | 165.2 | -2.4 | 111.1 | V99 H100 V105 | V99-R103 VanDerWaalsContact O-CD 3.31Å; V99-R103 WeakPolarHBondContact O-CD 3.28Å; V99-R103 PolarHBondContact O-NE 3.24Å; H100-R103 WeakPolarHBondContact O-CB 3.23Å; H100-R103 PolarHBondContact O-N 3.17Å; R103-V105 HydrophobicContact CB-CG1 3.9Å; R103-V105 PolarHBondContact O-N 3.21Å |
| 104 | Q | 90.8 | Very high | 94.8 | Very high | 131 Ų | 131 | 66.8 Ų | 66.8 | 61% | 0.612 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -80.2 | 45.8 | 179.5 | -60.5 | -176.8 | 13 | 0 | 0 | 112.8 | K47 | K47-Q104 HydrophobicContact CB-CB 4.45Å; K47-Q104 VanDerWaalsContact CD-O 3.31Å; K47-Q104 WeakPolarHBondContact CD-O 3.37Å; K47-Q104 HydrophobicContact CG-CB 4.43Å; K47-Q104 PolarHBondContact NZ-O 3.17Å |
| 105 | V | 93 | Very high | 94.8 | Very high | 29 Ų | 29 | 66.9 Ų | 66.9 | 18% | 0.176 | 34% | 0.336 | C | S | . | . | trans | -137.7 | 132.8 | -178.3 | 58.7 | 0 | 0 | 0 | 0 | 108.8 | H100 R103 I109 F110 I149 | H100-V105 HydrophobicContact CB-CG1 4.25Å; R103-V105 HydrophobicContact CB-CG1 3.9Å; R103-V105 PolarHBondContact O-N 3.21Å; V105-I109 HydrophobicContact CB-CG2 4.43Å; V105-I109 HydrophobicContact CG2-CB 4.03Å; V105-I109 HydrophobicContact CG2-CG2 3.7Å; V105-F110 HydrophobicContact CG2-CB 3.95Å; V105-F110 HydrophobicContact CG2-CD2 4.47Å; V105-I149 WeakPolarHBondContact O-CG2 3.4Å | ||
| 106 | N | 94.2 | Very high | 94.9 | Very high | 85 Ų | 85 | 63.5 Ų | 63.5 | 46% | 0.455 | 32% | 0.318 | S | S | . | . | trans | -109 | 174.5 | 172.2 | 63.7 | 13.7 | 0 | 0 | 0 | 109.7 | Q108 I109 F110 | N106-Q108 VanDerWaalsContact C-N 3.29Å; N106-Q108 PolarHBondContact O-N 3.49Å; N106-Q108 PolarHBondContact OD1-N 3.18Å; N106-I109 PolarHBondContact O-N 3.38Å; N106-I109 WeakPolarHBondContact OD1-CB 3.49Å; N106-I109 WeakPolarHBondContact OD1-CD1 3.44Å; N106-I109 VanDerWaalsContact OD1-CG1 3.23Å; N106-I109 WeakPolarHBondContact OD1-CG1 3.34Å; N106-I109 PolarHBondContact OD1-N 3.41Å; N106-F110 WeakPolarHBondContact O-CB 3.45Å; N106-F110 PolarHBondContact O-N 2.98Å | ||
| 107 | E | 96.5 | Very high | 95 | Very high | 86 Ų | 86 | 61.9 Ų | 61.9 | 40% | 0.402 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -48.6 | -49 | 177 | 177.7 | 173.7 | -156.9 | 0 | 0 | 112.4 | F110 L111 G146 | E107-F110 WeakPolarHBondContact O-CB 3.31Å; E107-F110 PolarHBondContact O-N 3.28Å; E107-L111 HydrophobicContact CG-CD1 3.66Å; E107-L111 HydrophobicContact CG-CG 4.17Å; E107-L111 WeakPolarHBondContact O-CB 3.29Å; E107-L111 VanDerWaalsContact O-CG 3.28Å; E107-L111 WeakPolarHBondContact O-CG 3.26Å; E107-L111 PolarHBondContact O-N 2.71Å; E107-G146 WeakPolarHBondContact CB-O 3.33Å; E107-G146 WeakPolarHBondContact CG-O 3.34Å |
| 108 | Q | 96.3 | Very high | 95.1 | Very high | 116 Ų | 116 | 63.5 Ų | 63.5 | 54% | 0.542 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.7 | -50.1 | -177.1 | -172.7 | 64 | 56.2 | 0 | 0 | 112.2 | N106 F110 L111 D112 | N106-Q108 VanDerWaalsContact C-N 3.29Å; N106-Q108 PolarHBondContact O-N 3.49Å; N106-Q108 PolarHBondContact OD1-N 3.18Å; Q108-F110 PolarHBondContact O-N 3.41Å; Q108-L111 PolarHBondContact O-N 3.5Å; Q108-D112 PolarHBondContact NE2-OD1 3.3Å; Q108-D112 WeakPolarHBondContact O-CB 3.41Å; Q108-D112 PolarHBondContact O-N 3.46Å |
| 109 | I | 95.6 | Very high | 95.3 | Very high | 35 Ų | 35 | 64.3 Ų | 64.3 | 18% | 0.179 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59 | -40.5 | 178.2 | -71.1 | 166.6 | 0 | 0 | 0 | 110.6 | Y44 K47 V105 N106 S113 | Y44-I109 HydrophobicContact CD1-CG2 4.38Å; Y44-I109 HydrophobicContact CE1-CG2 3.82Å; Y44-I109 HydrophobicContact CE2-CG2 4.02Å; K47-I109 HydrophobicContact CD-CG2 4.36Å; V105-I109 HydrophobicContact CB-CG2 4.43Å; V105-I109 HydrophobicContact CG2-CB 4.03Å; V105-I109 HydrophobicContact CG2-CG2 3.7Å; N106-I109 PolarHBondContact O-N 3.38Å; N106-I109 WeakPolarHBondContact OD1-CB 3.49Å; N106-I109 WeakPolarHBondContact OD1-CD1 3.44Å; N106-I109 VanDerWaalsContact OD1-CG1 3.23Å; N106-I109 WeakPolarHBondContact OD1-CG1 3.34Å; N106-I109 PolarHBondContact OD1-N 3.41Å; I109-S113 PolarHBondContact O-OG 2.89Å |
| 110 | F | 97.5 | Very high | 95.6 | Very high | 21 Ų | 21 | 62.7 Ų | 62.7 | 9% | 0.092 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.3 | -46.7 | 178 | -171 | -95.9 | 0 | 0 | 0 | 111.5 | H100 V105 N106 E107 Q108 S113 F142 I145 I149 | H100-F110 AromaticContact CD2-CE2 3.86Å; H100-F110 AromaticContact NE2-CE2 3.81Å; V105-F110 HydrophobicContact CG2-CB 3.95Å; V105-F110 HydrophobicContact CG2-CD2 4.47Å; N106-F110 WeakPolarHBondContact O-CB 3.45Å; N106-F110 PolarHBondContact O-N 2.98Å; E107-F110 WeakPolarHBondContact O-CB 3.31Å; E107-F110 PolarHBondContact O-N 3.28Å; Q108-F110 PolarHBondContact O-N 3.41Å; F110-S113 VanDerWaalsContact O-CB 3.29Å; F110-S113 WeakPolarHBondContact O-CB 3.35Å; F110-S113 PolarHBondContact O-N 3.05Å; F110-F142 HydrophobicContact CD1-CD1 4.05Å; F110-F142 HydrophobicContact CE1-CB 4.19Å; F110-F142 AromaticContact CE1-CD1 3.69Å; F110-F142 HydrophobicContact CE1-CD1 3.69Å; F110-F142 HydrophobicContact CE1-CE1 4.3Å; F110-F142 HydrophobicContact CE1-CG 4.03Å; F110-F142 WeakPolarHBondContact CE1-O 3.41Å; F110-F142 HydrophobicContact CZ-CD1 4.14Å; F110-F142 HydrophobicContact CZ-CE1 4.32Å; F110-I145 HydrophobicContact CD1-CG2 4.4Å; F110-I145 HydrophobicContact CE1-CB 3.74Å; F110-I145 HydrophobicContact CE1-CG2 3.62Å; F110-I145 HydrophobicContact CE2-CG2 4.05Å; F110-I145 HydrophobicContact CZ-CB 3.87Å; F110-I145 HydrophobicContact CZ-CD1 4.23Å; F110-I145 HydrophobicContact CZ-CG2 3.42Å; F110-I145 VanDerWaalsContact CZ-CG2 3.42Å; F110-I149 HydrophobicContact CB-CD1 3.93Å; F110-I149 HydrophobicContact CD1-CD1 4.14Å; F110-I149 HydrophobicContact CD2-CD1 3.73Å; F110-I149 HydrophobicContact CE2-CD1 4.26Å; F110-I149 HydrophobicContact CG-CD1 3.66Å |
| 111 | L | 97.8 | Very high | 95.7 | Very high | 44 Ų | 44 | 61.1 Ų | 61.1 | 23% | 0.23 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -70.9 | -32.4 | 179.8 | -67 | -179.8 | 0 | 0 | 0 | 113.2 | E107 Q108 S113 L114 F142 K143 | E107-L111 HydrophobicContact CG-CD1 3.66Å; E107-L111 HydrophobicContact CG-CG 4.17Å; E107-L111 WeakPolarHBondContact O-CB 3.29Å; E107-L111 VanDerWaalsContact O-CG 3.28Å; E107-L111 WeakPolarHBondContact O-CG 3.26Å; E107-L111 PolarHBondContact O-N 2.71Å; Q108-L111 PolarHBondContact O-N 3.5Å; L111-S113 PolarHBondContact O-N 3.23Å; L111-S113 VanDerWaalsContact O-N 3.15Å; L111-L114 WeakPolarHBondContact O-CB 3.41Å; L111-L114 PolarHBondContact O-N 3.17Å; L111-L114 VanDerWaalsContact O-N 3.08Å; L111-F142 HydrophobicContact CD2-CB 4.42Å; L111-F142 WeakPolarHBondContact CD2-O 3.3Å; L111-K143 HydrophobicContact CD2-CG 4.33Å |
| 112 | D | 97.1 | Very high | 96 | Very high | 64 Ų | 64 | 58 Ų | 58 | 34% | 0.342 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62 | -19.5 | 173.6 | -74.6 | -17.5 | 0 | 0 | 0 | 112.5 | Q108 | Q108-D112 PolarHBondContact NE2-OD1 3.3Å; Q108-D112 WeakPolarHBondContact O-CB 3.41Å; Q108-D112 PolarHBondContact O-N 3.46Å |
| 113 | S | 97.4 | Very high | 96.6 | Very high | 7 Ų | 7 | 56.4 Ų | 56.4 | 5% | 0.049 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -81.5 | -27 | 177.2 | -53.3 | 0 | 0 | 0 | 0 | 112.3 | F37 I109 F110 L111 I116 F117 | F37-S113 VanDerWaalsContact CE2-OG 3.24Å; F37-S113 WeakPolarHBondContact CE2-OG 3.42Å; I109-S113 PolarHBondContact O-OG 2.89Å; F110-S113 VanDerWaalsContact O-CB 3.29Å; F110-S113 WeakPolarHBondContact O-CB 3.35Å; F110-S113 PolarHBondContact O-N 3.05Å; L111-S113 PolarHBondContact O-N 3.23Å; L111-S113 VanDerWaalsContact O-N 3.15Å; S113-I116 WeakPolarHBondContact O-CB 3.49Å; S113-I116 PolarHBondContact O-N 3.07Å; S113-F117 WeakPolarHBondContact O-CD2 3.5Å; S113-F117 PolarHBondContact O-N 3.15Å |
| 114 | L | 98.1 | Very high | 96.9 | Very high | 19 Ų | 19 | 53.3 Ų | 53.3 | 10% | 0.099 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -50.5 | -47.1 | -175.3 | 171.2 | 61.9 | 0 | 0 | 0 | 114 | L111 I116 F117 I118 L138 F142 | L111-L114 WeakPolarHBondContact O-CB 3.41Å; L111-L114 PolarHBondContact O-N 3.17Å; L111-L114 VanDerWaalsContact O-N 3.08Å; L114-I116 PolarHBondContact O-N 3.29Å; L114-F117 PolarHBondContact O-N 3.45Å; L114-I118 HydrophobicContact CD1-CD1 3.69Å; L114-I118 HydrophobicContact CD1-CG1 3.84Å; L114-I118 HydrophobicContact CD2-CD1 4.47Å; L114-I118 HydrophobicContact CG-CD1 3.9Å; L114-I118 HydrophobicContact CG-CG1 4.41Å; L114-I118 PolarHBondContact O-N 3.2Å; L114-L138 HydrophobicContact CD1-CB 3.96Å; L114-F142 HydrophobicContact CB-CB 4.16Å; L114-F142 HydrophobicContact CB-CD1 3.71Å; L114-F142 HydrophobicContact CB-CE1 4.3Å; L114-F142 HydrophobicContact CB-CG 3.98Å; L114-F142 HydrophobicContact CD1-CB 3.88Å; L114-F142 HydrophobicContact CD1-CD1 4.27Å; L114-F142 HydrophobicContact CD1-CD2 3.84Å; L114-F142 HydrophobicContact CD1-CE2 4.45Å; L114-F142 HydrophobicContact CD1-CG 3.73Å; L114-F142 HydrophobicContact CD2-CB 4.17Å; L114-F142 HydrophobicContact CG-CB 4.29Å; L114-F142 HydrophobicContact CG-CG 4.34Å |
| 115 | P | 98.3 | Very high | 97.2 | Very high | 82 Ų | 82 | 47.2 Ų | 47.2 | 53% | 0.532 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -58.6 | -32.8 | 179.6 | -25 | 35.9 | 0 | 0 | 0 | 113.4 | D119 | P115-D119 WeakPolarHBondContact O-CB 3.5Å; P115-D119 PolarHBondContact O-N 3.03Å |
| 116 | I | 98.4 | Very high | 97.5 | Very high | 20 Ų | 20 | 52.2 Ų | 52.2 | 10% | 0.103 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -70.3 | -41.1 | -180 | -55.5 | 163.8 | 0 | 0 | 0 | 110.4 | F37 A40 R41 S113 L114 D119 F120 | F37-I116 HydrophobicContact CD2-CD1 4.03Å; F37-I116 HydrophobicContact CE2-CD1 4.43Å; A40-I116 HydrophobicContact CB-CD1 3.91Å; A40-I116 HydrophobicContact CB-CG1 4.29Å; A40-I116 HydrophobicContact CB-CG2 4.23Å; R41-I116 HydrophobicContact CG-CD1 3.7Å; S113-I116 WeakPolarHBondContact O-CB 3.49Å; S113-I116 PolarHBondContact O-N 3.07Å; L114-I116 PolarHBondContact O-N 3.29Å; I116-D119 PolarHBondContact O-N 2.81Å; I116-F120 WeakPolarHBondContact O-CB 3.49Å; I116-F120 PolarHBondContact O-N 3.48Å |
| 117 | F | 98.5 | Very high | 97.6 | Very high | 14 Ų | 14 | 50.9 Ų | 50.9 | 6% | 0.061 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68 | -41.3 | 176.3 | -75.2 | -104.6 | 0 | 0 | 0 | 111.4 | V33 F37 F72 S113 L114 F120 F121 L138 F142 | V33-F117 HydrophobicContact CG1-CD1 3.81Å; V33-F117 HydrophobicContact CG1-CE1 3.36Å; V33-F117 HydrophobicContact CG1-CZ 4.06Å; F37-F117 HydrophobicContact CB-CE2 4.42Å; F37-F117 AromaticContact CD2-CE2 3.97Å; F37-F117 HydrophobicContact CD2-CE2 3.97Å; F37-F117 HydrophobicContact CE2-CE2 4.33Å; F37-F117 HydrophobicContact CG-CE2 4.06Å; F37-F117 HydrophobicContact CG-CZ 4.35Å; F72-F117 HydrophobicContact CD2-CE1 4.25Å; F72-F117 HydrophobicContact CE1-CE1 4.47Å; F72-F117 HydrophobicContact CE2-CD1 4.02Å; F72-F117 AromaticContact CE2-CE1 3.39Å; F72-F117 HydrophobicContact CE2-CE1 3.39Å; F72-F117 HydrophobicContact CE2-CZ 4.36Å; F72-F117 AromaticContact CZ-CD1 3.84Å; F72-F117 HydrophobicContact CZ-CD1 3.84Å; F72-F117 AromaticContact CZ-CE1 3.51Å; F72-F117 HydrophobicContact CZ-CE1 3.51Å; S113-F117 WeakPolarHBondContact O-CD2 3.5Å; S113-F117 PolarHBondContact O-N 3.15Å; L114-F117 PolarHBondContact O-N 3.45Å; F117-F120 PolarHBondContact O-N 2.96Å; F117-F121 VanDerWaalsContact O-CD2 3.26Å; F117-F121 WeakPolarHBondContact O-CD2 3.22Å; F117-F121 PolarHBondContact O-N 3.4Å; F117-L138 HydrophobicContact CB-CD1 4.33Å; F117-F142 HydrophobicContact CB-CE2 4.33Å; F117-F142 HydrophobicContact CB-CZ 4.09Å; F117-F142 HydrophobicContact CD1-CE2 4.41Å; F117-F142 AromaticContact CD1-CZ 3.97Å; F117-F142 HydrophobicContact CD1-CZ 3.97Å; F117-F142 HydrophobicContact CD2-CE1 4.12Å; F117-F142 AromaticContact CD2-CZ 3.62Å; F117-F142 HydrophobicContact CD2-CZ 3.62Å; F117-F142 HydrophobicContact CE1-CZ 4.31Å; F117-F142 HydrophobicContact CE2-CE1 4.39Å; F117-F142 AromaticContact CE2-CZ 3.99Å; F117-F142 HydrophobicContact CE2-CZ 3.99Å; F117-F142 HydrophobicContact CG-CE1 4.5Å; F117-F142 HydrophobicContact CG-CE2 4.21Å; F117-F142 AromaticContact CG-CZ 3.61Å; F117-F142 HydrophobicContact CG-CZ 3.61Å; F117-F142 HydrophobicContact CZ-CZ 4.31Å |
| 118 | I | 98.4 | Very high | 97.7 | Very high | 34 Ų | 34 | 52.3 Ų | 52.3 | 17% | 0.174 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.8 | -47.3 | 174.7 | -72.3 | 176 | 0 | 0 | 0 | 110.7 | L114 F120 F121 N122 L138 | L114-I118 HydrophobicContact CD1-CD1 3.69Å; L114-I118 HydrophobicContact CD1-CG1 3.84Å; L114-I118 HydrophobicContact CD2-CD1 4.47Å; L114-I118 HydrophobicContact CG-CD1 3.9Å; L114-I118 HydrophobicContact CG-CG1 4.41Å; L114-I118 PolarHBondContact O-N 3.2Å; I118-F120 PolarHBondContact O-N 3.03Å; I118-F121 PolarHBondContact O-N 3.01Å; I118-N122 WeakPolarHBondContact CG2-ND2 2.81Å; I118-N122 VanDerWaalsContact O-CB 3.32Å; I118-N122 WeakPolarHBondContact O-CB 3.33Å; I118-N122 VanDerWaalsContact O-CG 3.23Å; I118-N122 PolarHBondContact O-N 3.41Å; I118-N122 PolarHBondContact O-ND2 3.31Å; I118-L138 HydrophobicContact CG1-CB 4.26Å; I118-L138 HydrophobicContact CG1-CD1 4.05Å |
| 119 | D | 98.4 | Very high | 97.7 | Very high | 92 Ų | 92 | 51.4 Ų | 51.4 | 49% | 0.492 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.9 | -44 | 178.9 | -174.6 | 54.1 | 0 | 0 | 0 | 111.7 | P115 I116 F121 N122 N123 | P115-D119 WeakPolarHBondContact O-CB 3.5Å; P115-D119 PolarHBondContact O-N 3.03Å; I116-D119 PolarHBondContact O-N 2.81Å; D119-F121 PolarHBondContact O-N 3.38Å; D119-N122 PolarHBondContact O-N 3.14Å; D119-N123 PolarHBondContact O-N 3.24Å; D119-N123 VanDerWaalsContact O-N 3.13Å; D119-N123 PolarHBondContact O-ND2 3.38Å; D119-N123 PolarHBondContact OD1-ND2 2.66Å |
| 120 | F | 98.6 | Very high | 97.9 | Very high | 24 Ų | 24 | 49.7 Ų | 49.7 | 11% | 0.105 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -54.1 | -55.4 | 174.1 | 177.5 | -87.9 | 0 | 0 | 0 | 111.6 | L29 K32 V33 C36 I116 F117 I118 N122 N123 Y124 | L29-F120 HydrophobicContact CD1-CE1 3.86Å; L29-F120 HydrophobicContact CD1-CZ 4.06Å; K32-F120 HydrophobicContact CB-CE2 3.76Å; K32-F120 HydrophobicContact CB-CZ 3.73Å; V33-F120 HydrophobicContact CB-CE1 4.49Å; V33-F120 HydrophobicContact CB-CZ 4.49Å; V33-F120 HydrophobicContact CG2-CD1 3.63Å; V33-F120 HydrophobicContact CG2-CD2 4.47Å; V33-F120 HydrophobicContact CG2-CE1 3.28Å; V33-F120 HydrophobicContact CG2-CE2 4.17Å; V33-F120 HydrophobicContact CG2-CG 4.22Å; V33-F120 HydrophobicContact CG2-CZ 3.58Å; C36-F120 HydrophobicContact CB-CD2 3.87Å; I116-F120 WeakPolarHBondContact O-CB 3.49Å; I116-F120 PolarHBondContact O-N 3.48Å; F117-F120 PolarHBondContact O-N 2.96Å; I118-F120 PolarHBondContact O-N 3.03Å; F120-N122 VanDerWaalsContact C-N 3.34Å; F120-N122 PolarHBondContact O-N 3.09Å; F120-N123 PolarHBondContact O-N 3.28Å; F120-N123 VanDerWaalsContact O-N 3.17Å; F120-Y124 HydrophobicContact CE1-CD2 4.3Å; F120-Y124 HydrophobicContact CE1-CG 4.05Å; F120-Y124 HydrophobicContact CZ-CD2 4.06Å; F120-Y124 HydrophobicContact CZ-CG 4.28Å; F120-Y124 WeakPolarHBondContact O-CB 3.25Å; F120-Y124 PolarHBondContact O-N 3.35Å |
| 121 | F | 98.2 | Very high | 97.9 | Very high | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.009 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -70.3 | -29.5 | -176.1 | -79.1 | -72.4 | 0 | 0 | 0 | 112.9 | L29 V33 L76 F117 I118 D119 N123 Y124 I125 M134 L138 | L29-F121 HydrophobicContact CD1-CE1 4.41Å; V33-F121 HydrophobicContact CG2-CE2 4.46Å; V33-F121 HydrophobicContact CG2-CZ 4.24Å; L76-F121 HydrophobicContact CD2-CE1 4.46Å; L76-F121 HydrophobicContact CD2-CE2 4.02Å; L76-F121 HydrophobicContact CD2-CZ 3.54Å; F117-F121 VanDerWaalsContact O-CD2 3.26Å; F117-F121 WeakPolarHBondContact O-CD2 3.22Å; F117-F121 PolarHBondContact O-N 3.4Å; I118-F121 PolarHBondContact O-N 3.01Å; D119-F121 PolarHBondContact O-N 3.38Å; F121-N123 VanDerWaalsContact C-N 3.26Å; F121-N123 PolarHBondContact O-N 3.16Å; F121-Y124 PolarHBondContact O-N 3.42Å; F121-I125 HydrophobicContact CB-CD1 4.21Å; F121-I125 HydrophobicContact CD1-CD1 4.35Å; F121-I125 VanDerWaalsContact O-CB 3.25Å; F121-I125 WeakPolarHBondContact O-CB 3.05Å; F121-I125 WeakPolarHBondContact O-CG1 3.35Å; F121-I125 PolarHBondContact O-N 3.45Å; F121-M134 HydrophobicContact CB-CE 4.39Å; F121-M134 HydrophobicContact CB-CG 3.76Å; F121-M134 HydrophobicContact CD1-CE 3.63Å; F121-M134 HydrophobicContact CD1-CG 4.32Å; F121-M134 HydrophobicContact CD2-CE 3.46Å; F121-M134 VanDerWaalsContact CD2-CE 3.46Å; F121-M134 HydrophobicContact CD2-CG 4.47Å; F121-M134 HydrophobicContact CE1-CE 3.64Å; F121-M134 HydrophobicContact CE2-CE 3.47Å; F121-M134 VanDerWaalsContact CE2-CE 3.47Å; F121-M134 HydrophobicContact CG-CE 3.55Å; F121-M134 HydrophobicContact CG-CG 3.94Å; F121-M134 HydrophobicContact CZ-CE 3.57Å; F121-L138 HydrophobicContact CB-CD1 4.45Å; F121-L138 HydrophobicContact CD2-CD1 3.75Å; F121-L138 HydrophobicContact CE2-CD1 4.48Å; F121-L138 HydrophobicContact CG-CD1 4.42Å |
| 122 | N | 97.7 | Very high | 97.9 | Very high | 46 Ų | 46 | 53.4 Ų | 53.4 | 25% | 0.246 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.9 | -27 | 173.2 | -77.3 | -15.8 | 0 | 0 | 0 | 113.2 | I118 D119 F120 K131 S135 | I118-N122 WeakPolarHBondContact CG2-ND2 2.81Å; I118-N122 VanDerWaalsContact O-CB 3.32Å; I118-N122 WeakPolarHBondContact O-CB 3.33Å; I118-N122 VanDerWaalsContact O-CG 3.23Å; I118-N122 PolarHBondContact O-N 3.41Å; I118-N122 PolarHBondContact O-ND2 3.31Å; D119-N122 PolarHBondContact O-N 3.14Å; F120-N122 VanDerWaalsContact C-N 3.34Å; F120-N122 PolarHBondContact O-N 3.09Å; N122-K131 WeakPolarHBondContact O-CD 3.32Å; N122-K131 WeakPolarHBondContact O-CE 3.25Å; N122-K131 PolarHBondContact O-NZ 3.48Å; N122-K131 WeakPolarHBondContact OD1-CB 3.39Å; N122-S135 PolarHBondContact OD1-OG 2.91Å |
| 123 | N | 97.4 | Very high | 97.9 | Very high | 122 Ų | 122 | 50.4 Ų | 50.4 | 65% | 0.652 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -88.9 | -22.3 | 174 | -69.5 | -51.7 | 0 | 0 | 0 | 112.8 | D119 F120 F121 | D119-N123 PolarHBondContact O-N 3.24Å; D119-N123 VanDerWaalsContact O-N 3.13Å; D119-N123 PolarHBondContact O-ND2 3.38Å; D119-N123 PolarHBondContact OD1-ND2 2.66Å; F120-N123 PolarHBondContact O-N 3.28Å; F120-N123 VanDerWaalsContact O-N 3.17Å; F121-N123 VanDerWaalsContact C-N 3.26Å; F121-N123 PolarHBondContact O-N 3.16Å |
| 124 | Y | 96.8 | Very high | 98 | Very high | 47 Ų | 47 | 50.1 Ų | 50.1 | 18% | 0.184 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -89.2 | -37.8 | -177.7 | -167.5 | -104.4 | 0 | 0 | 0 | 113.5 | L16 Q19 L29 K32 F120 F121 | L16-Y124 HydrophobicContact CD2-CD1 4.46Å; L16-Y124 HydrophobicContact CD2-CE1 4.43Å; Q19-Y124 HydrophobicContact CB-CE1 4.18Å; Q19-Y124 VanDerWaalsContact CB-OH 3.25Å; Q19-Y124 WeakPolarHBondContact CB-OH 3.33Å; Q19-Y124 VanDerWaalsContact CD-OH 3.25Å; Q19-Y124 HydrophobicContact CG-CE1 3.92Å; Q19-Y124 WeakPolarHBondContact CG-OH 3.35Å; Q19-Y124 PolarHBondContact OE1-OH 2.85Å; L29-Y124 HydrophobicContact CD1-CD1 4.21Å; L29-Y124 HydrophobicContact CD1-CE1 3.65Å; L29-Y124 HydrophobicContact CD1-CE2 4.33Å; K32-Y124 HydrophobicContact CD-CE2 4.2Å; F120-Y124 HydrophobicContact CE1-CD2 4.3Å; F120-Y124 HydrophobicContact CE1-CG 4.05Å; F120-Y124 HydrophobicContact CZ-CD2 4.06Å; F120-Y124 HydrophobicContact CZ-CG 4.28Å; F120-Y124 WeakPolarHBondContact O-CB 3.25Å; F120-Y124 PolarHBondContact O-N 3.35Å; F121-Y124 PolarHBondContact O-N 3.42Å |
| 125 | I | 98.3 | Very high | 98 | Very high | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.015 | 26% | 0.259 | C | S | . | . | trans | -79.5 | 142.5 | 175.7 | -65.5 | 171.8 | 0 | 0 | 0 | 108.4 | L12 E15 L16 F121 D127 N130 K131 M134 | L12-I125 HydrophobicContact CD1-CD1 3.72Å; E15-I125 VanDerWaalsContact OE2-CG2 3.27Å; E15-I125 WeakPolarHBondContact OE2-CG2 3.37Å; L16-I125 HydrophobicContact CD2-CG1 4.28Å; F121-I125 HydrophobicContact CB-CD1 4.21Å; F121-I125 HydrophobicContact CD1-CD1 4.35Å; F121-I125 VanDerWaalsContact O-CB 3.25Å; F121-I125 WeakPolarHBondContact O-CB 3.05Å; F121-I125 WeakPolarHBondContact O-CG1 3.35Å; F121-I125 PolarHBondContact O-N 3.45Å; I125-D127 WeakPolarHBondContact CG2-O 3.36Å; I125-N130 HydrophobicContact CG2-CB 3.57Å; I125-K131 HydrophobicContact CB-CG 3.98Å; I125-K131 HydrophobicContact CG2-CG 3.81Å; I125-K131 WeakPolarHBondContact O-CE 3.35Å; I125-K131 PolarHBondContact O-NZ 3.02Å; I125-M134 HydrophobicContact CD1-CB 3.59Å; I125-M134 HydrophobicContact CD1-CG 3.76Å | ||
| 126 | N | 97.4 | Very high | 97.9 | Very high | 134 Ų | 134 | 49.5 Ų | 49.5 | 72% | 0.717 | 25% | 0.246 | S | C | * | . | trans | -92.9 | -48.7 | 177.7 | -57.1 | -68.5 | 0 | 0 | 0 | 111 | E15 Q128 | E15-N126 WeakPolarHBondContact OE1-CA 3.25Å; E15-N126 VanDerWaalsContact OE1-CB 3.25Å; E15-N126 WeakPolarHBondContact OE1-CB 3.17Å; E15-N126 PolarHBondContact OE1-N 2.93Å; E15-N126 PolarHBondContact OE1-ND2 3.09Å; N126-Q128 PolarHBondContact O-N 3.37Å | ||
| 127 | D | 98.1 | Very high | 97.9 | Very high | 57 Ų | 57 | 48.5 Ų | 48.5 | 31% | 0.305 | 24% | 0.241 | S | C | . | . | trans | -70.3 | 129.6 | -174.7 | 178 | -90.7 | 0 | 0 | 0 | 112.3 | H11 E15 I125 Q129 N130 K131 | H11-D127 IonicContact CE1-OD1 2.58Å; E15-D127 PolarHBondContact OE1-N 2.73Å; E15-D127 WeakPolarHBondContact OE2-CB 3.27Å; I125-D127 WeakPolarHBondContact CG2-O 3.36Å; D127-Q129 VanDerWaalsContact C-N 3.35Å; D127-Q129 PolarHBondContact O-N 2.98Å; D127-Q129 WeakPolarHBondContact OD1-CA 3.29Å; D127-Q129 VanDerWaalsContact OD1-CB 3.26Å; D127-Q129 WeakPolarHBondContact OD1-CB 3.39Å; D127-Q129 PolarHBondContact OD1-N 2.72Å; D127-N130 HydrophobicContact CB-CB 4.05Å; D127-N130 PolarHBondContact O-N 3.47Å; D127-N130 PolarHBondContact OD1-N 2.94Å; D127-K131 WeakPolarHBondContact O-CG 3.37Å; D127-K131 PolarHBondContact O-N 3.5Å | ||
| 128 | Q | 97.9 | Very high | 97.9 | Very high | 115 Ų | 115 | 47.9 Ų | 47.9 | 54% | 0.537 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -66.1 | -35.7 | -175 | -175.5 | 59.1 | 36.4 | 0 | 0 | 112.6 | N126 N130 K131 E132 | N126-Q128 PolarHBondContact O-N 3.37Å; Q128-N130 VanDerWaalsContact C-N 3.33Å; Q128-K131 WeakPolarHBondContact O-CB 3.4Å; Q128-K131 PolarHBondContact O-N 3.36Å; Q128-E132 PolarHBondContact O-N 3.31Å |
| 129 | Q | 97.1 | Very high | 97.9 | Very high | 97 Ų | 97 | 48.3 Ų | 48.3 | 45% | 0.453 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -69.2 | -35.5 | 177 | 178.4 | 177.4 | -12.1 | 0 | 0 | 110.9 | D127 E132 T133 | D127-Q129 VanDerWaalsContact C-N 3.35Å; D127-Q129 PolarHBondContact O-N 2.98Å; D127-Q129 WeakPolarHBondContact OD1-CA 3.29Å; D127-Q129 VanDerWaalsContact OD1-CB 3.26Å; D127-Q129 WeakPolarHBondContact OD1-CB 3.39Å; D127-Q129 PolarHBondContact OD1-N 2.72Å; Q129-E132 PolarHBondContact O-N 2.94Å; Q129-T133 WeakPolarHBondContact O-CB 3.3Å; Q129-T133 PolarHBondContact O-N 2.68Å; Q129-T133 PolarHBondContact O-OG1 3.1Å |
| 130 | N | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69.2 | -36.5 | 174.4 | -76.1 | -9.6 | 0 | 0 | 0 | 112.4 | H11 L12 E15 I125 D127 Q128 E132 T133 M134 | H11-N130 VanDerWaalsContact ND1-CG 3.27Å; H11-N130 PolarHBondContact ND1-ND2 2.89Å; H11-N130 PolarHBondContact ND1-OD1 3.36Å; H11-N130 PolarHBondContact O-ND2 3.41Å; H11-N130 VanDerWaalsContact O-ND2 3.13Å; L12-N130 HydrophobicContact CD1-CB 3.91Å; L12-N130 PolarHBondContact N-OD1 2.82Å; E15-N130 VanDerWaalsContact OE2-CB 3.24Å; E15-N130 WeakPolarHBondContact OE2-CB 3.24Å; E15-N130 PolarHBondContact OE2-ND2 3.42Å; I125-N130 HydrophobicContact CG2-CB 3.57Å; D127-N130 HydrophobicContact CB-CB 4.05Å; D127-N130 PolarHBondContact O-N 3.47Å; D127-N130 PolarHBondContact OD1-N 2.94Å; Q128-N130 VanDerWaalsContact C-N 3.33Å; N130-E132 PolarHBondContact O-N 3.45Å; N130-T133 PolarHBondContact O-N 2.93Å; N130-M134 VanDerWaalsContact O-CB 3.32Å; N130-M134 WeakPolarHBondContact O-CB 3.42Å; N130-M134 PolarHBondContact O-N 3.24Å |
| 131 | K | 98.4 | Very high | 97.8 | Very high | 44 Ų | 44 | 45 Ų | 45 | 19% | 0.191 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.3 | -47.6 | 171 | -69.1 | 178.6 | -170.3 | -161.2 | 0 | 112.1 | N122 I125 D127 Q128 T133 M134 S135 | N122-K131 WeakPolarHBondContact O-CD 3.32Å; N122-K131 WeakPolarHBondContact O-CE 3.25Å; N122-K131 PolarHBondContact O-NZ 3.48Å; N122-K131 WeakPolarHBondContact OD1-CB 3.39Å; I125-K131 HydrophobicContact CB-CG 3.98Å; I125-K131 HydrophobicContact CG2-CG 3.81Å; I125-K131 WeakPolarHBondContact O-CE 3.35Å; I125-K131 PolarHBondContact O-NZ 3.02Å; D127-K131 WeakPolarHBondContact O-CG 3.37Å; D127-K131 PolarHBondContact O-N 3.5Å; Q128-K131 WeakPolarHBondContact O-CB 3.4Å; Q128-K131 PolarHBondContact O-N 3.36Å; K131-T133 VanDerWaalsContact C-N 3.35Å; K131-M134 PolarHBondContact O-N 3.1Å; K131-S135 WeakPolarHBondContact O-CB 3.42Å; K131-S135 PolarHBondContact O-N 2.84Å; K131-S135 PolarHBondContact O-OG 3.41Å |
| 132 | E | 97.5 | Very high | 97.8 | Very high | 99 Ų | 99 | 45.7 Ų | 45.7 | 46% | 0.463 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -64.3 | -40.9 | 177.6 | -70.9 | 178.7 | -166 | 0 | 0 | 112.1 | Q128 Q129 N130 K136 | Q128-E132 PolarHBondContact O-N 3.31Å; Q129-E132 PolarHBondContact O-N 2.94Å; N130-E132 PolarHBondContact O-N 3.45Å; E132-K136 VanDerWaalsContact O-CG 3.32Å; E132-K136 WeakPolarHBondContact O-CG 3.43Å; E132-K136 PolarHBondContact O-N 3.34Å |
| 133 | T | 98 | Very high | 97.7 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.1 | -50.2 | 177 | -60.7 | 0 | 0 | 0 | 0 | 110.6 | V4 Q8 L12 Q129 N130 K131 S135 K136 I137 | V4-T133 HydrophobicContact CG1-CG2 3.77Å; V4-T133 HydrophobicContact CG2-CG2 4.32Å; Q8-T133 HydrophobicContact CB-CG2 3.98Å; L12-T133 HydrophobicContact CD2-CG2 4.14Å; Q129-T133 WeakPolarHBondContact O-CB 3.3Å; Q129-T133 PolarHBondContact O-N 2.68Å; Q129-T133 PolarHBondContact O-OG1 3.1Å; N130-T133 PolarHBondContact O-N 2.93Å; K131-T133 VanDerWaalsContact C-N 3.35Å; T133-S135 VanDerWaalsContact C-N 3.34Å; T133-S135 PolarHBondContact O-N 3.23Å; T133-K136 WeakPolarHBondContact O-CB 3.32Å; T133-K136 PolarHBondContact O-N 3.45Å; T133-K136 VanDerWaalsContact O-N 3.16Å; T133-I137 HydrophobicContact CG2-CD1 3.99Å; T133-I137 WeakPolarHBondContact O-CG1 3.32Å; T133-I137 PolarHBondContact O-N 3.17Å |
| 134 | M | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.4 | -43.3 | 178 | -173.1 | 54.7 | 170.4 | 0 | 0 | 111.7 | L12 L76 I80 F121 I125 N130 K131 K136 I137 L138 | L12-M134 HydrophobicContact CD1-CB 4.41Å; L12-M134 HydrophobicContact CD2-CB 4.21Å; L12-M134 HydrophobicContact CD2-SD 4.18Å; L76-M134 HydrophobicContact CD1-CE 4.32Å; L76-M134 HydrophobicContact CD2-CE 4.09Å; I80-M134 HydrophobicContact CD1-CE 3.86Å; I80-M134 HydrophobicContact CD1-SD 4.02Å; I80-M134 HydrophobicContact CG1-SD 4.32Å; F121-M134 HydrophobicContact CB-CE 4.39Å; F121-M134 HydrophobicContact CB-CG 3.76Å; F121-M134 HydrophobicContact CD1-CE 3.63Å; F121-M134 HydrophobicContact CD1-CG 4.32Å; F121-M134 HydrophobicContact CD2-CE 3.46Å; F121-M134 VanDerWaalsContact CD2-CE 3.46Å; F121-M134 HydrophobicContact CD2-CG 4.47Å; F121-M134 HydrophobicContact CE1-CE 3.64Å; F121-M134 HydrophobicContact CE2-CE 3.47Å; F121-M134 VanDerWaalsContact CE2-CE 3.47Å; F121-M134 HydrophobicContact CG-CE 3.55Å; F121-M134 HydrophobicContact CG-CG 3.94Å; F121-M134 HydrophobicContact CZ-CE 3.57Å; I125-M134 HydrophobicContact CD1-CB 3.59Å; I125-M134 HydrophobicContact CD1-CG 3.76Å; N130-M134 VanDerWaalsContact O-CB 3.32Å; N130-M134 WeakPolarHBondContact O-CB 3.42Å; N130-M134 PolarHBondContact O-N 3.24Å; K131-M134 PolarHBondContact O-N 3.1Å; M134-K136 VanDerWaalsContact C-N 3.32Å; M134-K136 PolarHBondContact O-N 2.95Å; M134-I137 PolarHBondContact O-N 2.89Å; M134-L138 HydrophobicContact CE-CD1 3.99Å; M134-L138 HydrophobicContact CE-CD2 3.79Å; M134-L138 HydrophobicContact CE-CG 3.88Å; M134-L138 HydrophobicContact CG-CD1 4.02Å; M134-L138 HydrophobicContact CG-CG 4.26Å; M134-L138 WeakPolarHBondContact O-CB 3.32Å; M134-L138 WeakPolarHBondContact O-CG 3.38Å; M134-L138 PolarHBondContact O-N 3.13Å; M134-L138 HydrophobicContact SD-CD1 4.4Å; M134-L138 HydrophobicContact SD-CD2 4.49Å; M134-L138 HydrophobicContact SD-CG 4.09Å |
| 135 | S | 97.8 | Very high | 97.8 | Very high | 26 Ų | 26 | 42.9 Ų | 42.9 | 18% | 0.182 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.1 | -40.6 | 175.5 | -67.4 | 0 | 0 | 0 | 0 | 112.6 | N122 K131 T133 T139 | N122-S135 PolarHBondContact OD1-OG 2.91Å; K131-S135 WeakPolarHBondContact O-CB 3.42Å; K131-S135 PolarHBondContact O-N 2.84Å; K131-S135 PolarHBondContact O-OG 3.41Å; T133-S135 VanDerWaalsContact C-N 3.34Å; T133-S135 PolarHBondContact O-N 3.23Å; S135-T139 VanDerWaalsContact O-CB 3.25Å; S135-T139 WeakPolarHBondContact O-CB 3.31Å; S135-T139 PolarHBondContact O-N 2.82Å; S135-T139 PolarHBondContact O-OG1 2.93Å |
| 136 | K | 97.5 | Very high | 97.7 | Very high | 62 Ų | 62 | 42.8 Ų | 42.8 | 27% | 0.27 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64.9 | -44.4 | 174.8 | -72.7 | 168.2 | -172.4 | 164.3 | 0 | 111.6 | V4 E132 T133 M134 Y140 | V4-K136 HydrophobicContact CG2-CB 4.11Å; V4-K136 HydrophobicContact CG2-CD 4.46Å; E132-K136 VanDerWaalsContact O-CG 3.32Å; E132-K136 WeakPolarHBondContact O-CG 3.43Å; E132-K136 PolarHBondContact O-N 3.34Å; T133-K136 WeakPolarHBondContact O-CB 3.32Å; T133-K136 PolarHBondContact O-N 3.45Å; T133-K136 VanDerWaalsContact O-N 3.16Å; M134-K136 VanDerWaalsContact C-N 3.32Å; M134-K136 PolarHBondContact O-N 2.95Å; K136-Y140 PolarHBondContact O-N 3.09Å; K136-Y140 VanDerWaalsContact O-N 3.11Å |
| 137 | I | 98 | Very high | 97.7 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.8 | -54.5 | 178.5 | -65.5 | 171.7 | 0 | 0 | 0 | 110 | V4 L12 I80 A83 T133 M134 T139 Y140 V141 | V4-I137 HydrophobicContact CG2-CG1 4.15Å; L12-I137 HydrophobicContact CD2-CD1 3.84Å; I80-I137 HydrophobicContact CG1-CG2 4.43Å; I80-I137 HydrophobicContact CG2-CD1 4.25Å; A83-I137 HydrophobicContact CB-CD1 3.54Å; A83-I137 HydrophobicContact CB-CG1 3.65Å; A83-I137 HydrophobicContact CB-CG2 4.36Å; T133-I137 HydrophobicContact CG2-CD1 3.99Å; T133-I137 WeakPolarHBondContact O-CG1 3.32Å; T133-I137 PolarHBondContact O-N 3.17Å; M134-I137 PolarHBondContact O-N 2.89Å; I137-T139 VanDerWaalsContact C-N 3.33Å; I137-T139 PolarHBondContact O-N 3.35Å; I137-Y140 PolarHBondContact O-N 3.08Å; I137-Y140 VanDerWaalsContact O-N 3.13Å; I137-V141 HydrophobicContact CG2-CG2 4.13Å; I137-V141 WeakPolarHBondContact O-CB 3.33Å; I137-V141 WeakPolarHBondContact O-CG2 3.04Å; I137-V141 PolarHBondContact O-N 3.11Å |
| 138 | L | 98.2 | Very high | 97.6 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.9 | -44.1 | -179.9 | -69.3 | 175.7 | 0 | 0 | 0 | 111.7 | L76 L114 F117 I118 F121 M134 Y140 V141 F142 | L76-L138 HydrophobicContact CD1-CD2 4.15Å; L114-L138 HydrophobicContact CD1-CB 3.96Å; F117-L138 HydrophobicContact CB-CD1 4.33Å; I118-L138 HydrophobicContact CG1-CB 4.26Å; I118-L138 HydrophobicContact CG1-CD1 4.05Å; F121-L138 HydrophobicContact CB-CD1 4.45Å; F121-L138 HydrophobicContact CD2-CD1 3.75Å; F121-L138 HydrophobicContact CE2-CD1 4.48Å; F121-L138 HydrophobicContact CG-CD1 4.42Å; M134-L138 HydrophobicContact CE-CD1 3.99Å; M134-L138 HydrophobicContact CE-CD2 3.79Å; M134-L138 HydrophobicContact CE-CG 3.88Å; M134-L138 HydrophobicContact CG-CD1 4.02Å; M134-L138 HydrophobicContact CG-CG 4.26Å; M134-L138 WeakPolarHBondContact O-CB 3.32Å; M134-L138 WeakPolarHBondContact O-CG 3.38Å; M134-L138 PolarHBondContact O-N 3.13Å; M134-L138 HydrophobicContact SD-CD1 4.4Å; M134-L138 HydrophobicContact SD-CD2 4.49Å; M134-L138 HydrophobicContact SD-CG 4.09Å; L138-Y140 VanDerWaalsContact C-N 3.28Å; L138-Y140 PolarHBondContact O-N 2.83Å; L138-V141 PolarHBondContact O-N 3.17Å; L138-F142 HydrophobicContact CD2-CE2 4.14Å; L138-F142 WeakPolarHBondContact O-CB 3.13Å; L138-F142 WeakPolarHBondContact O-CD2 3.26Å; L138-F142 PolarHBondContact O-N 3.24Å |
| 139 | T | 97.8 | Very high | 97.3 | Very high | 43 Ų | 43 | 37.6 Ų | 37.6 | 26% | 0.264 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -59.4 | -41.7 | 178.1 | -62.2 | 0 | 0 | 0 | 0 | 111.6 | S135 I137 K143 | S135-T139 VanDerWaalsContact O-CB 3.25Å; S135-T139 WeakPolarHBondContact O-CB 3.31Å; S135-T139 PolarHBondContact O-N 2.82Å; S135-T139 PolarHBondContact O-OG1 2.93Å; I137-T139 VanDerWaalsContact C-N 3.33Å; I137-T139 PolarHBondContact O-N 3.35Å; T139-K143 HydrophobicContact CG2-CD 4.11Å; T139-K143 WeakPolarHBondContact O-CB 3.24Å; T139-K143 VanDerWaalsContact O-CG 3.24Å; T139-K143 WeakPolarHBondContact O-CG 3.37Å; T139-K143 PolarHBondContact O-N 3.1Å |
| 140 | Y | 97.3 | Very high | 97.3 | Very high | 40 Ų | 40 | 34.7 Ų | 34.7 | 16% | 0.157 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68.9 | -50.6 | 177.8 | -176 | -92.5 | 0 | 0 | 0 | 112.1 | M1 K86 L89 D90 K136 I137 L138 F142 K143 T144 | M1-Y140 HydrophobicContact CB-CD2 4.25Å; M1-Y140 HydrophobicContact CG-CD2 4.45Å; M1-Y140 WeakPolarHBondContact SD-CB 3.47Å; M1-Y140 HydrophobicContact SD-CD1 4.44Å; M1-Y140 HydrophobicContact SD-CD2 3.38Å; M1-Y140 WeakPolarHBondContact SD-CD2 3.47Å; M1-Y140 HydrophobicContact SD-CE2 4.19Å; M1-Y140 HydrophobicContact SD-CG 3.51Å; M1-Y140 VanDerWaalsContact SD-CG 3.51Å; K86-Y140 VanDerWaalsContact CE-OH 3.25Å; K86-Y140 WeakPolarHBondContact CE-OH 3.21Å; K86-Y140 PolarHBondContact NZ-OH 3.49Å; L89-Y140 HydrophobicContact CD2-CD1 3.4Å; L89-Y140 VanDerWaalsContact CD2-CD1 3.4Å; L89-Y140 HydrophobicContact CD2-CE1 3.55Å; L89-Y140 HydrophobicContact CD2-CG 4.41Å; L89-Y140 HydrophobicContact CG-CD1 4.12Å; L89-Y140 HydrophobicContact CG-CE1 3.99Å; D90-Y140 WeakPolarHBondContact OD1-CE1 3.39Å; D90-Y140 PolarHBondContact OD1-OH 2.75Å; K136-Y140 PolarHBondContact O-N 3.09Å; K136-Y140 VanDerWaalsContact O-N 3.11Å; I137-Y140 PolarHBondContact O-N 3.08Å; I137-Y140 VanDerWaalsContact O-N 3.13Å; L138-Y140 VanDerWaalsContact C-N 3.28Å; L138-Y140 PolarHBondContact O-N 2.83Å; Y140-F142 PolarHBondContact O-N 3.32Å; Y140-K143 PolarHBondContact O-N 3.38Å; Y140-T144 WeakPolarHBondContact CE1-OG1 3.46Å; Y140-T144 VanDerWaalsContact O-CB 3.3Å; Y140-T144 WeakPolarHBondContact O-CB 3.33Å; Y140-T144 PolarHBondContact O-N 2.94Å; Y140-T144 PolarHBondContact O-OG1 3.07Å |
| 141 | V | 97.7 | Very high | 97.2 | Very high | 6 Ų | 6 | 36.5 Ų | 36.5 | 4% | 0.036 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.2 | -50.6 | -178.7 | 166.9 | 0 | 0 | 0 | 0 | 110.3 | M79 L89 I137 L138 K143 T144 I145 | M79-V141 HydrophobicContact CB-CG2 4.3Å; M79-V141 HydrophobicContact SD-CG1 3.52Å; M79-V141 VanDerWaalsContact SD-CG1 3.52Å; M79-V141 HydrophobicContact SD-CG2 4.19Å; L89-V141 HydrophobicContact CD1-CG2 3.96Å; I137-V141 HydrophobicContact CG2-CG2 4.13Å; I137-V141 WeakPolarHBondContact O-CB 3.33Å; I137-V141 WeakPolarHBondContact O-CG2 3.04Å; I137-V141 PolarHBondContact O-N 3.11Å; L138-V141 PolarHBondContact O-N 3.17Å; V141-K143 PolarHBondContact O-N 2.68Å; V141-T144 PolarHBondContact O-N 3.14Å; V141-I145 HydrophobicContact CG1-CD1 3.6Å; V141-I145 HydrophobicContact CG1-CG1 4.44Å; V141-I145 WeakPolarHBondContact O-CB 3.29Å; V141-I145 VanDerWaalsContact O-CG1 3.32Å; V141-I145 WeakPolarHBondContact O-CG1 3.41Å; V141-I145 PolarHBondContact O-N 3.06Å |
| 142 | F | 97.9 | Very high | 97.2 | Very high | 16 Ų | 16 | 36.1 Ų | 36.1 | 7% | 0.07 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.5 | -42.6 | -178.2 | -88.8 | -110.6 | 0 | 0 | 0 | 112.3 | F110 L111 L114 F117 L138 Y140 G146 | F110-F142 HydrophobicContact CD1-CD1 4.05Å; F110-F142 HydrophobicContact CE1-CB 4.19Å; F110-F142 AromaticContact CE1-CD1 3.69Å; F110-F142 HydrophobicContact CE1-CD1 3.69Å; F110-F142 HydrophobicContact CE1-CE1 4.3Å; F110-F142 HydrophobicContact CE1-CG 4.03Å; F110-F142 WeakPolarHBondContact CE1-O 3.41Å; F110-F142 HydrophobicContact CZ-CD1 4.14Å; F110-F142 HydrophobicContact CZ-CE1 4.32Å; L111-F142 HydrophobicContact CD2-CB 4.42Å; L111-F142 WeakPolarHBondContact CD2-O 3.3Å; L114-F142 HydrophobicContact CB-CB 4.16Å; L114-F142 HydrophobicContact CB-CD1 3.71Å; L114-F142 HydrophobicContact CB-CE1 4.3Å; L114-F142 HydrophobicContact CB-CG 3.98Å; L114-F142 HydrophobicContact CD1-CB 3.88Å; L114-F142 HydrophobicContact CD1-CD1 4.27Å; L114-F142 HydrophobicContact CD1-CD2 3.84Å; L114-F142 HydrophobicContact CD1-CE2 4.45Å; L114-F142 HydrophobicContact CD1-CG 3.73Å; L114-F142 HydrophobicContact CD2-CB 4.17Å; L114-F142 HydrophobicContact CG-CB 4.29Å; L114-F142 HydrophobicContact CG-CG 4.34Å; F117-F142 HydrophobicContact CB-CE2 4.33Å; F117-F142 HydrophobicContact CB-CZ 4.09Å; F117-F142 HydrophobicContact CD1-CE2 4.41Å; F117-F142 AromaticContact CD1-CZ 3.97Å; F117-F142 HydrophobicContact CD1-CZ 3.97Å; F117-F142 HydrophobicContact CD2-CE1 4.12Å; F117-F142 AromaticContact CD2-CZ 3.62Å; F117-F142 HydrophobicContact CD2-CZ 3.62Å; F117-F142 HydrophobicContact CE1-CZ 4.31Å; F117-F142 HydrophobicContact CE2-CE1 4.39Å; F117-F142 AromaticContact CE2-CZ 3.99Å; F117-F142 HydrophobicContact CE2-CZ 3.99Å; F117-F142 HydrophobicContact CG-CE1 4.5Å; F117-F142 HydrophobicContact CG-CE2 4.21Å; F117-F142 AromaticContact CG-CZ 3.61Å; F117-F142 HydrophobicContact CG-CZ 3.61Å; F117-F142 HydrophobicContact CZ-CZ 4.31Å; L138-F142 HydrophobicContact CD2-CE2 4.14Å; L138-F142 WeakPolarHBondContact O-CB 3.13Å; L138-F142 WeakPolarHBondContact O-CD2 3.26Å; L138-F142 PolarHBondContact O-N 3.24Å; Y140-F142 PolarHBondContact O-N 3.32Å; F142-G146 WeakPolarHBondContact O-CA 3.22Å; F142-G146 PolarHBondContact O-N 2.9Å |
| 143 | K | 97.2 | Very high | 97.2 | Very high | 124 Ų | 124 | 32.4 Ų | 32.4 | 54% | 0.539 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -66.6 | -40.9 | 177.5 | -73.3 | -179.8 | 177.6 | -175.2 | 0 | 112.3 | L111 T139 Y140 V141 S147 | L111-K143 HydrophobicContact CD2-CG 4.33Å; T139-K143 HydrophobicContact CG2-CD 4.11Å; T139-K143 WeakPolarHBondContact O-CB 3.24Å; T139-K143 VanDerWaalsContact O-CG 3.24Å; T139-K143 WeakPolarHBondContact O-CG 3.37Å; T139-K143 PolarHBondContact O-N 3.1Å; Y140-K143 PolarHBondContact O-N 3.38Å; V141-K143 PolarHBondContact O-N 2.68Å; K143-S147 WeakPolarHBondContact O-CB 3.23Å; K143-S147 PolarHBondContact O-N 3.06Å; K143-S147 PolarHBondContact O-OG 3.12Å |
| 144 | T | 96.9 | Very high | 97.1 | Very high | 26 Ų | 26 | 34.3 Ų | 34.3 | 16% | 0.16 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.4 | -48.3 | -179.8 | -55.4 | 0 | 0 | 0 | 0 | 110.5 | C93 Y140 V141 S147 Q148 | C93-T144 HydrophobicContact CB-CG2 3.64Å; Y140-T144 WeakPolarHBondContact CE1-OG1 3.46Å; Y140-T144 VanDerWaalsContact O-CB 3.3Å; Y140-T144 WeakPolarHBondContact O-CB 3.33Å; Y140-T144 PolarHBondContact O-N 2.94Å; Y140-T144 PolarHBondContact O-OG1 3.07Å; V141-T144 PolarHBondContact O-N 3.14Å; T144-S147 PolarHBondContact O-OG 3.19Å; T144-Q148 WeakPolarHBondContact O-CG 3.22Å |
| 145 | I | 97.6 | Very high | 97 | Very high | 7 Ų | 7 | 36.6 Ų | 36.6 | 4% | 0.036 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.6 | -50.8 | 175.7 | -65.8 | 170.9 | 0 | 0 | 0 | 110.7 | M79 C93 E96 A97 F110 V141 S147 Q148 I149 | M79-I145 HydrophobicContact CE-CD1 4.12Å; M79-I145 HydrophobicContact SD-CD1 4.41Å; C93-I145 HydrophobicContact CB-CG1 3.88Å; C93-I145 WeakPolarHBondContact O-CG1 3.43Å; E96-I145 HydrophobicContact CB-CD1 3.85Å; E96-I145 HydrophobicContact CB-CG1 4.37Å; A97-I145 HydrophobicContact CB-CG2 4.21Å; F110-I145 HydrophobicContact CD1-CG2 4.4Å; F110-I145 HydrophobicContact CE1-CB 3.74Å; F110-I145 HydrophobicContact CE1-CG2 3.62Å; F110-I145 HydrophobicContact CE2-CG2 4.05Å; F110-I145 HydrophobicContact CZ-CB 3.87Å; F110-I145 HydrophobicContact CZ-CD1 4.23Å; F110-I145 HydrophobicContact CZ-CG2 3.42Å; F110-I145 VanDerWaalsContact CZ-CG2 3.42Å; V141-I145 HydrophobicContact CG1-CD1 3.6Å; V141-I145 HydrophobicContact CG1-CG1 4.44Å; V141-I145 WeakPolarHBondContact O-CB 3.29Å; V141-I145 VanDerWaalsContact O-CG1 3.32Å; V141-I145 WeakPolarHBondContact O-CG1 3.41Å; V141-I145 PolarHBondContact O-N 3.06Å; I145-S147 VanDerWaalsContact C-N 3.31Å; I145-S147 PolarHBondContact O-N 2.95Å; I145-Q148 WeakPolarHBondContact O-CA 3.28Å; I145-Q148 WeakPolarHBondContact O-CB 3.33Å; I145-Q148 PolarHBondContact O-N 2.58Å; I145-I149 HydrophobicContact CG2-CD1 3.96Å; I145-I149 HydrophobicContact CG2-CG1 4.29Å; I145-I149 PolarHBondContact O-N 2.55Å |
| 146 | G | 97.5 | Very high | 97 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -55.2 | -43.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | E107 F142 Q148 I149 | E107-G146 WeakPolarHBondContact CB-O 3.33Å; E107-G146 WeakPolarHBondContact CG-O 3.34Å; F142-G146 WeakPolarHBondContact O-CA 3.22Å; F142-G146 PolarHBondContact O-N 2.9Å; G146-Q148 PolarHBondContact O-N 3.14Å; G146-I149 PolarHBondContact O-N 2.78Å |
| 147 | S | 96.4 | Very high | 96.9 | Very high | 62 Ų | 62 | 35.5 Ų | 35.5 | 43% | 0.434 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -6.5 | 177.5 | 73.4 | 0 | 0 | 0 | 0 | 114.9 | K143 T144 I145 | K143-S147 WeakPolarHBondContact O-CB 3.23Å; K143-S147 PolarHBondContact O-N 3.06Å; K143-S147 PolarHBondContact O-OG 3.12Å; T144-S147 PolarHBondContact O-OG 3.19Å; I145-S147 VanDerWaalsContact C-N 3.31Å; I145-S147 PolarHBondContact O-N 2.95Å |
| 148 | Q | 95.7 | Very high | 96.9 | Very high | 76 Ų | 76 | 38.4 Ų | 38.4 | 36% | 0.355 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | 0.5 | -174.9 | -61 | -64.6 | -47.3 | 0 | 0 | 112.7 | L94 A97 R101 T144 I145 G146 | L94-Q148 HydrophobicContact CD2-CG 3.88Å; A97-Q148 HydrophobicContact CB-CB 3.5Å; R101-Q148 PolarHBondContact NE-O 3.08Å; R101-Q148 PolarHBondContact NH2-O 3.43Å; R101-Q148 VanDerWaalsContact NH2-O 3.07Å; T144-Q148 WeakPolarHBondContact O-CG 3.22Å; I145-Q148 WeakPolarHBondContact O-CA 3.28Å; I145-Q148 WeakPolarHBondContact O-CB 3.33Å; I145-Q148 PolarHBondContact O-N 2.58Å; G146-Q148 PolarHBondContact O-N 3.14Å |
| 149 | I | 92.1 | Very high | 96.7 | Very high | 60 Ų | 60 | 41.8 Ų | 41.8 | 31% | 0.308 | 21% | 0.214 | S | C | . | . | trans | -87 | 0 | 173.7 | -65.5 | 172.3 | 0 | 0 | 0 | 108.8 | H100 V105 F110 I145 G146 | H100-I149 HydrophobicContact CB-CD1 3.54Å; H100-I149 HydrophobicContact CB-CG1 3.72Å; V105-I149 WeakPolarHBondContact O-CG2 3.4Å; F110-I149 HydrophobicContact CB-CD1 3.93Å; F110-I149 HydrophobicContact CD1-CD1 4.14Å; F110-I149 HydrophobicContact CD2-CD1 3.73Å; F110-I149 HydrophobicContact CE2-CD1 4.26Å; F110-I149 HydrophobicContact CG-CD1 3.66Å; I145-I149 HydrophobicContact CG2-CD1 3.96Å; I145-I149 HydrophobicContact CG2-CG1 4.29Å; I145-I149 PolarHBondContact O-N 2.55Å; G146-I149 PolarHBondContact O-N 2.78Å |
Retrieved 149 of 149 residues in 37 ms
(Link to these results)