| 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 | 65.9 | Low | 80.8 | Confident | 191 Ų | 191 | 112.2 Ų | 112.2 | 94% | 0.941 | 59% | 0.589 | S | S | * | * | 0 | -49.7 | 0 | -72.8 | 179.4 | 70.8 | 0 | 0 | 113 | E3 Q4 V5 | M1-E3 PolarHBondContact O-N 3.14Å; M1-Q4 PolarHBondContact O-N 3.22Å; M1-V5 WeakPolarHBondContact O-CG2 3.49Å; M1-V5 PolarHBondContact O-N 3.23Å | |||
| 2 | S | 75.7 | Confident | 81.5 | Confident | 103 Ų | 103 | 114.8 Ų | 114.8 | 72% | 0.72 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -56 | -47.6 | -178.4 | 177.8 | 0 | 0 | 0 | 0 | 114.1 | Q4 V5 D6 | S2-Q4 VanDerWaalsContact C-N 3.32Å; S2-Q4 PolarHBondContact O-N 2.76Å; S2-V5 PolarHBondContact O-N 3.34Å; S2-V5 VanDerWaalsContact O-N 3.16Å; S2-D6 PolarHBondContact O-N 3.42Å; S2-D6 VanDerWaalsContact O-N 3.14Å |
| 3 | E | 77.8 | Confident | 82.3 | Confident | 172 Ų | 172 | 112.5 Ų | 112.5 | 80% | 0.804 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -62.2 | -36.3 | 178.6 | -67.6 | -177.6 | 156.8 | 0 | 0 | 113.5 | M1 V5 C7 | M1-E3 PolarHBondContact O-N 3.14Å; E3-V5 VanDerWaalsContact C-N 3.35Å; E3-C7 VanDerWaalsContact O-CB 3.31Å; E3-C7 WeakPolarHBondContact O-CB 3.43Å; E3-C7 PolarHBondContact O-N 3.16Å |
| 4 | Q | 78.7 | Confident | 83 | Confident | 137 Ų | 137 | 115.9 Ų | 115.9 | 64% | 0.64 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -67 | -36.9 | 177.4 | -72.4 | 178.9 | -39.8 | 0 | 0 | 111.6 | M1 S2 M8 | M1-Q4 PolarHBondContact O-N 3.22Å; S2-Q4 VanDerWaalsContact C-N 3.32Å; S2-Q4 PolarHBondContact O-N 2.76Å; Q4-M8 WeakPolarHBondContact O-CG 3.31Å; Q4-M8 PolarHBondContact O-N 3.45Å; Q4-M8 VanDerWaalsContact O-N 3.08Å |
| 5 | V | 80.9 | Confident | 83.7 | Confident | 90 Ų | 90 | 120 Ų | 120 | 55% | 0.545 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -68.1 | -45.1 | 177.9 | 177 | 0 | 0 | 0 | 0 | 111.3 | M1 S2 E3 M8 A9 | M1-V5 WeakPolarHBondContact O-CG2 3.49Å; M1-V5 PolarHBondContact O-N 3.23Å; S2-V5 PolarHBondContact O-N 3.34Å; S2-V5 VanDerWaalsContact O-N 3.16Å; E3-V5 VanDerWaalsContact C-N 3.35Å; V5-M8 HydrophobicContact CG2-CE 4.43Å; V5-M8 PolarHBondContact O-N 3.42Å; V5-A9 PolarHBondContact O-N 2.98Å |
| 6 | D | 82.7 | Confident | 84.3 | Confident | 76 Ų | 76 | 119.8 Ų | 119.8 | 41% | 0.406 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.3 | -41.3 | 178.1 | -170.2 | 26.6 | 0 | 0 | 0 | 111.5 | S2 M8 A9 R10 | S2-D6 PolarHBondContact O-N 3.42Å; S2-D6 VanDerWaalsContact O-N 3.14Å; D6-M8 PolarHBondContact O-N 3.2Å; D6-A9 PolarHBondContact O-N 3.08Å; D6-R10 WeakPolarHBondContact O-CG 3.33Å; D6-R10 PolarHBondContact O-N 3.01Å; D6-R10 IonicContact OD1-NE 3.45Å; D6-R10 PolarHBondContact OD1-NE 3.33Å; D6-R10 IonicContact OD2-CZ 3.35Å; D6-R10 IonicContact OD2-NE 3.2Å; D6-R10 PolarHBondContact OD2-NE 3.44Å; D6-R10 IonicContact OD2-NH2 2.76Å; D6-R10 PolarHBondContact OD2-NH2 2.95Å |
| 7 | C | 83.9 | Confident | 84.9 | Confident | 72 Ų | 72 | 119.2 Ų | 119.2 | 49% | 0.486 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -57.8 | -47.2 | 174.1 | -175.6 | 0 | 0 | 0 | 0 | 111.9 | E3 A9 R10 L11 | E3-C7 VanDerWaalsContact O-CB 3.31Å; E3-C7 WeakPolarHBondContact O-CB 3.43Å; E3-C7 PolarHBondContact O-N 3.16Å; C7-A9 PolarHBondContact O-N 3.04Å; C7-R10 PolarHBondContact O-N 3.19Å; C7-L11 WeakPolarHBondContact O-CB 3.49Å; C7-L11 PolarHBondContact O-N 3.45Å |
| 8 | M | 84.4 | Confident | 85.6 | Confident | 110 Ų | 110 | 121.4 Ų | 121.4 | 54% | 0.542 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -62.7 | -38.7 | 176.4 | -74.3 | -171 | -68.6 | 0 | 0 | 112.7 | Q4 V5 D6 L11 K12 | Q4-M8 WeakPolarHBondContact O-CG 3.31Å; Q4-M8 PolarHBondContact O-N 3.45Å; Q4-M8 VanDerWaalsContact O-N 3.08Å; V5-M8 HydrophobicContact CG2-CE 4.43Å; V5-M8 PolarHBondContact O-N 3.42Å; D6-M8 PolarHBondContact O-N 3.2Å; M8-L11 PolarHBondContact O-N 2.97Å; M8-K12 WeakPolarHBondContact O-CG 3.47Å; M8-K12 PolarHBondContact O-N 3.06Å |
| 9 | A | 84.9 | Confident | 86.1 | Confident | 46 Ų | 46 | 117.9 Ų | 117.9 | 38% | 0.38 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64.5 | -47.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V5 D6 C7 L11 K12 V13 | V5-A9 PolarHBondContact O-N 2.98Å; D6-A9 PolarHBondContact O-N 3.08Å; C7-A9 PolarHBondContact O-N 3.04Å; A9-L11 VanDerWaalsContact C-N 3.33Å; A9-L11 PolarHBondContact O-N 3.16Å; A9-K12 WeakPolarHBondContact O-CB 3.45Å; A9-K12 PolarHBondContact O-N 3.47Å; A9-K12 VanDerWaalsContact O-N 3.16Å; A9-V13 WeakPolarHBondContact O-CG2 3.31Å; A9-V13 PolarHBondContact O-N 3.41Å |
| 10 | R | 86.9 | Confident | 86.6 | Confident | 154 Ų | 154 | 114.9 Ų | 114.9 | 58% | 0.581 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -61.5 | -39.5 | 176.3 | -66.8 | -179.6 | -164.9 | -157.9 | 5.8 | 112.3 | D6 C7 V13 R14 | D6-R10 WeakPolarHBondContact O-CG 3.33Å; D6-R10 PolarHBondContact O-N 3.01Å; D6-R10 IonicContact OD1-NE 3.45Å; D6-R10 PolarHBondContact OD1-NE 3.33Å; D6-R10 IonicContact OD2-CZ 3.35Å; D6-R10 IonicContact OD2-NE 3.2Å; D6-R10 PolarHBondContact OD2-NE 3.44Å; D6-R10 IonicContact OD2-NH2 2.76Å; D6-R10 PolarHBondContact OD2-NH2 2.95Å; C7-R10 PolarHBondContact O-N 3.19Å; R10-V13 PolarHBondContact O-N 3.45Å; R10-R14 WeakPolarHBondContact O-CB 3.41Å; R10-R14 WeakPolarHBondContact O-CG 3.38Å; R10-R14 PolarHBondContact O-N 2.98Å |
| 11 | L | 87.3 | Confident | 87.1 | Confident | 83 Ų | 83 | 113.7 Ų | 113.7 | 44% | 0.435 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -61.1 | -42.9 | 173.8 | -93.2 | 151 | 0 | 0 | 0 | 112 | C7 M8 A9 R15 | C7-L11 WeakPolarHBondContact O-CB 3.49Å; C7-L11 PolarHBondContact O-N 3.45Å; M8-L11 PolarHBondContact O-N 2.97Å; A9-L11 VanDerWaalsContact C-N 3.33Å; A9-L11 PolarHBondContact O-N 3.16Å; L11-R15 VanDerWaalsContact O-CG 3.31Å; L11-R15 WeakPolarHBondContact O-CG 3.4Å; L11-R15 PolarHBondContact O-N 3.04Å |
| 12 | K | 88.9 | Confident | 88.6 | Confident | 144 Ų | 144 | 110.3 Ų | 110.3 | 63% | 0.626 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -63.9 | -47.2 | 175.6 | -74.1 | 177.6 | -179.8 | -178.2 | 0 | 112.1 | M8 A9 R14 R15 I16 | M8-K12 WeakPolarHBondContact O-CG 3.47Å; M8-K12 PolarHBondContact O-N 3.06Å; A9-K12 WeakPolarHBondContact O-CB 3.45Å; A9-K12 PolarHBondContact O-N 3.47Å; A9-K12 VanDerWaalsContact O-N 3.16Å; K12-R14 PolarHBondContact O-N 3.45Å; K12-R15 PolarHBondContact O-N 2.92Å; K12-I16 WeakPolarHBondContact O-CG1 3.37Å; K12-I16 PolarHBondContact O-N 3.4Å |
| 13 | V | 91.9 | Very high | 89.6 | Confident | 85 Ų | 85 | 109 Ų | 109 | 52% | 0.515 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.1 | -45.7 | 178.4 | 174.3 | 0 | 0 | 0 | 0 | 111.1 | A9 R10 R15 I16 L17 | A9-V13 WeakPolarHBondContact O-CG2 3.31Å; A9-V13 PolarHBondContact O-N 3.41Å; R10-V13 PolarHBondContact O-N 3.45Å; V13-R15 VanDerWaalsContact C-N 3.33Å; V13-R15 PolarHBondContact O-N 2.99Å; V13-I16 PolarHBondContact O-N 3.23Å; V13-L17 HydrophobicContact CG1-CD1 4.09Å; V13-L17 HydrophobicContact CG1-CG 4.41Å; V13-L17 WeakPolarHBondContact O-CG 3.44Å; V13-L17 PolarHBondContact O-N 2.88Å |
| 14 | R | 92.3 | Very high | 90.5 | Very high | 159 Ų | 159 | 106.7 Ų | 106.7 | 60% | 0.6 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -57.4 | -45 | 175 | -77.5 | 178.7 | 177.2 | -176.2 | -0.9 | 111.9 | R10 K12 I16 L17 Y18 | R10-R14 WeakPolarHBondContact O-CB 3.41Å; R10-R14 WeakPolarHBondContact O-CG 3.38Å; R10-R14 PolarHBondContact O-N 2.98Å; K12-R14 PolarHBondContact O-N 3.45Å; R14-I16 VanDerWaalsContact C-N 3.34Å; R14-I16 PolarHBondContact O-N 3.27Å; R14-L17 PolarHBondContact O-N 3.49Å; R14-Y18 HydrophobicContact CB-CD2 4.34Å; R14-Y18 HydrophobicContact CB-CE2 4.02Å; R14-Y18 WeakPolarHBondContact O-CD2 2.97Å; R14-Y18 PolarHBondContact O-N 3.18Å |
| 15 | R | 92.8 | Very high | 91.4 | Very high | 178 Ų | 178 | 104.9 Ų | 104.9 | 67% | 0.672 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.5 | -41.7 | 176.6 | -74.6 | 175.8 | -179.5 | -172 | 0.9 | 112.3 | L11 K12 V13 Y18 A19 | L11-R15 VanDerWaalsContact O-CG 3.31Å; L11-R15 WeakPolarHBondContact O-CG 3.4Å; L11-R15 PolarHBondContact O-N 3.04Å; K12-R15 PolarHBondContact O-N 2.92Å; V13-R15 VanDerWaalsContact C-N 3.33Å; V13-R15 PolarHBondContact O-N 2.99Å; R15-Y18 PolarHBondContact O-N 3.31Å; R15-A19 WeakPolarHBondContact O-CB 3.34Å; R15-A19 PolarHBondContact O-N 2.83Å |
| 16 | I | 94.3 | Very high | 92.1 | Very high | 116 Ų | 116 | 104.9 Ų | 104.9 | 60% | 0.595 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.6 | -44.8 | 176 | -66.7 | 165.8 | 0 | 0 | 0 | 110.6 | K12 V13 R14 A19 A20 | K12-I16 WeakPolarHBondContact O-CG1 3.37Å; K12-I16 PolarHBondContact O-N 3.4Å; V13-I16 PolarHBondContact O-N 3.23Å; R14-I16 VanDerWaalsContact C-N 3.34Å; R14-I16 PolarHBondContact O-N 3.27Å; I16-A19 PolarHBondContact O-N 2.87Å; I16-A20 WeakPolarHBondContact O-CB 3.27Å; I16-A20 PolarHBondContact O-N 2.85Å |
| 17 | L | 95 | Very high | 92.8 | Very high | 111 Ų | 111 | 106.3 Ų | 106.3 | 58% | 0.581 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.4 | -42.6 | 177.6 | -69.4 | 173.7 | 0 | 0 | 0 | 112.2 | V13 R14 A20 L21 | V13-L17 HydrophobicContact CG1-CD1 4.09Å; V13-L17 HydrophobicContact CG1-CG 4.41Å; V13-L17 WeakPolarHBondContact O-CG 3.44Å; V13-L17 PolarHBondContact O-N 2.88Å; R14-L17 PolarHBondContact O-N 3.49Å; L17-A20 PolarHBondContact O-N 3.28Å; L17-L21 WeakPolarHBondContact O-CB 3.35Å; L17-L21 PolarHBondContact O-N 2.92Å |
| 18 | Y | 96 | Very high | 93.3 | Very high | 158 Ų | 158 | 106.5 Ų | 106.5 | 62% | 0.62 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.3 | -40.9 | 175 | -69.8 | -53.2 | 0 | 0 | 0 | 112.1 | R14 R15 L21 L22 | R14-Y18 HydrophobicContact CB-CD2 4.34Å; R14-Y18 HydrophobicContact CB-CE2 4.02Å; R14-Y18 WeakPolarHBondContact O-CD2 2.97Å; R14-Y18 PolarHBondContact O-N 3.18Å; R15-Y18 PolarHBondContact O-N 3.31Å; Y18-L21 PolarHBondContact O-N 3.46Å; Y18-L22 WeakPolarHBondContact O-CB 3.32Å; Y18-L22 PolarHBondContact O-N 3.37Å |
| 19 | A | 95.8 | Very high | 93.8 | Very high | 55 Ų | 55 | 108.3 Ų | 108.3 | 46% | 0.455 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.9 | -44.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | R15 I16 L22 V23 | R15-A19 WeakPolarHBondContact O-CB 3.34Å; R15-A19 PolarHBondContact O-N 2.83Å; I16-A19 PolarHBondContact O-N 2.87Å; A19-L22 PolarHBondContact O-N 2.91Å; A19-V23 VanDerWaalsContact O-CG2 3.32Å; A19-V23 WeakPolarHBondContact O-CG2 3.35Å; A19-V23 PolarHBondContact O-N 3.29Å |
| 20 | A | 96.1 | Very high | 94.1 | Very high | 57 Ų | 57 | 110.5 Ų | 110.5 | 47% | 0.471 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.9 | -43 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I16 L17 V23 F24 | I16-A20 WeakPolarHBondContact O-CB 3.27Å; I16-A20 PolarHBondContact O-N 2.85Å; L17-A20 PolarHBondContact O-N 3.28Å; A20-V23 PolarHBondContact O-N 2.87Å; A20-F24 VanDerWaalsContact O-CB 3.32Å; A20-F24 WeakPolarHBondContact O-CB 3.43Å; A20-F24 PolarHBondContact O-N 2.92Å |
| 21 | L | 97 | Very high | 94.2 | Very high | 90 Ų | 90 | 105.5 Ų | 105.5 | 47% | 0.471 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62 | -43.9 | 174.7 | -179.3 | 64.6 | 0 | 0 | 0 | 111.3 | L17 Y18 F24 L25 | L17-L21 WeakPolarHBondContact O-CB 3.35Å; L17-L21 PolarHBondContact O-N 2.92Å; Y18-L21 PolarHBondContact O-N 3.46Å; L21-F24 PolarHBondContact O-N 3.46Å; L21-L25 HydrophobicContact CD1-CD1 4.38Å; L21-L25 HydrophobicContact CD1-CG 4.31Å; L21-L25 HydrophobicContact CG-CD1 4.1Å; L21-L25 HydrophobicContact CG-CG 4.44Å; L21-L25 WeakPolarHBondContact O-CB 3.35Å; L21-L25 VanDerWaalsContact O-CG 3.27Å; L21-L25 WeakPolarHBondContact O-CG 3.32Å; L21-L25 PolarHBondContact O-N 3.41Å |
| 22 | L | 96.9 | Very high | 94.4 | Very high | 120 Ų | 120 | 106 Ų | 106 | 63% | 0.628 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.8 | -42.3 | 178.1 | -175.1 | 128.3 | 0 | 0 | 0 | 111.8 | Y18 A19 L25 L26 | Y18-L22 WeakPolarHBondContact O-CB 3.32Å; Y18-L22 PolarHBondContact O-N 3.37Å; A19-L22 PolarHBondContact O-N 2.91Å; L22-L25 PolarHBondContact O-N 2.88Å; L22-L26 WeakPolarHBondContact O-CB 3.29Å; L22-L26 PolarHBondContact O-N 2.92Å |
| 23 | V | 97.1 | Very high | 94.3 | Very high | 77 Ų | 77 | 101.4 Ų | 101.4 | 47% | 0.467 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63 | -44 | 173.7 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | A19 A20 L26 L27 | A19-V23 VanDerWaalsContact O-CG2 3.32Å; A19-V23 WeakPolarHBondContact O-CG2 3.35Å; A19-V23 PolarHBondContact O-N 3.29Å; A20-V23 PolarHBondContact O-N 2.87Å; V23-L26 WeakPolarHBondContact O-CB 3.34Å; V23-L26 PolarHBondContact O-N 3.46Å; V23-L27 HydrophobicContact CG1-CD1 4.25Å; V23-L27 HydrophobicContact CG1-CG 4.47Å; V23-L27 WeakPolarHBondContact O-CG 3.34Å; V23-L27 PolarHBondContact O-N 2.94Å |
| 24 | F | 97.1 | Very high | 93.9 | Very high | 122 Ų | 122 | 100.9 Ų | 100.9 | 54% | 0.535 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.7 | -44.8 | 177.9 | -179.3 | -106.4 | 0 | 0 | 0 | 112.3 | A20 L21 L26 L27 I28 | A20-F24 VanDerWaalsContact O-CB 3.32Å; A20-F24 WeakPolarHBondContact O-CB 3.43Å; A20-F24 PolarHBondContact O-N 2.92Å; L21-F24 PolarHBondContact O-N 3.46Å; F24-L26 VanDerWaalsContact C-N 3.32Å; F24-L26 PolarHBondContact O-N 3.26Å; F24-L27 PolarHBondContact O-N 3.22Å; F24-I28 HydrophobicContact CD1-CD1 3.74Å; F24-I28 HydrophobicContact CE1-CD1 3.25Å; F24-I28 HydrophobicContact CE1-CG1 4.29Å; F24-I28 HydrophobicContact CE2-CD1 4.33Å; F24-I28 HydrophobicContact CG-CD1 4.47Å; F24-I28 HydrophobicContact CZ-CD1 3.59Å; F24-I28 HydrophobicContact CZ-CG1 4.3Å; F24-I28 WeakPolarHBondContact O-CG1 3.31Å; F24-I28 PolarHBondContact O-N 2.88Å |
| 25 | L | 97.2 | Very high | 93.7 | Very high | 99 Ų | 99 | 97.8 Ų | 97.8 | 52% | 0.518 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.4 | -39.4 | 174.5 | -70.9 | 173.9 | 0 | 0 | 0 | 111.7 | L21 L22 I28 Y29 | L21-L25 HydrophobicContact CD1-CD1 4.38Å; L21-L25 HydrophobicContact CD1-CG 4.31Å; L21-L25 HydrophobicContact CG-CD1 4.1Å; L21-L25 HydrophobicContact CG-CG 4.44Å; L21-L25 WeakPolarHBondContact O-CB 3.35Å; L21-L25 VanDerWaalsContact O-CG 3.27Å; L21-L25 WeakPolarHBondContact O-CG 3.32Å; L21-L25 PolarHBondContact O-N 3.41Å; L22-L25 PolarHBondContact O-N 2.88Å; L25-I28 PolarHBondContact O-N 3.42Å; L25-Y29 VanDerWaalsContact O-CB 3.29Å; L25-Y29 WeakPolarHBondContact O-CB 3.47Å; L25-Y29 PolarHBondContact O-N 3.48Å |
| 26 | L | 96.5 | Very high | 93.4 | Very high | 91 Ų | 91 | 91.2 Ų | 91.2 | 48% | 0.476 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 174 | -179.2 | 65.4 | 0 | 0 | 0 | 111.5 | L22 V23 F24 Y29 L30 | L22-L26 WeakPolarHBondContact O-CB 3.29Å; L22-L26 PolarHBondContact O-N 2.92Å; V23-L26 WeakPolarHBondContact O-CB 3.34Å; V23-L26 PolarHBondContact O-N 3.46Å; F24-L26 VanDerWaalsContact C-N 3.32Å; F24-L26 PolarHBondContact O-N 3.26Å; L26-Y29 PolarHBondContact O-N 3.3Å; L26-L30 HydrophobicContact CD1-CD1 4.44Å; L26-L30 HydrophobicContact CD1-CG 4.37Å; L26-L30 HydrophobicContact CG-CD1 4.14Å; L26-L30 HydrophobicContact CG-CG 4.47Å; L26-L30 WeakPolarHBondContact O-CB 3.45Å; L26-L30 VanDerWaalsContact O-CG 3.25Å; L26-L30 WeakPolarHBondContact O-CG 3.33Å; L26-L30 PolarHBondContact O-N 2.91Å |
| 27 | L | 96.2 | Very high | 93 | Very high | 105 Ų | 105 | 92.4 Ų | 92.4 | 55% | 0.55 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.5 | -43.1 | 176.5 | -70.6 | 175 | 0 | 0 | 0 | 111.9 | V23 F24 L30 A31 | V23-L27 HydrophobicContact CG1-CD1 4.25Å; V23-L27 HydrophobicContact CG1-CG 4.47Å; V23-L27 WeakPolarHBondContact O-CG 3.34Å; V23-L27 PolarHBondContact O-N 2.94Å; F24-L27 PolarHBondContact O-N 3.22Å; L27-L30 PolarHBondContact O-N 3.43Å; L27-A31 WeakPolarHBondContact O-CB 3.46Å; L27-A31 PolarHBondContact O-N 3.45Å |
| 28 | I | 95.4 | Very high | 92.6 | Very high | 77 Ų | 77 | 91.2 Ų | 91.2 | 40% | 0.395 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.8 | -48 | 173.5 | -71 | 171.3 | 0 | 0 | 0 | 110.2 | F24 L25 L30 A31 V32 | F24-I28 HydrophobicContact CD1-CD1 3.74Å; F24-I28 HydrophobicContact CE1-CD1 3.25Å; F24-I28 HydrophobicContact CE1-CG1 4.29Å; F24-I28 HydrophobicContact CE2-CD1 4.33Å; F24-I28 HydrophobicContact CG-CD1 4.47Å; F24-I28 HydrophobicContact CZ-CD1 3.59Å; F24-I28 HydrophobicContact CZ-CG1 4.3Å; F24-I28 WeakPolarHBondContact O-CG1 3.31Å; F24-I28 PolarHBondContact O-N 2.88Å; L25-I28 PolarHBondContact O-N 3.42Å; I28-L30 PolarHBondContact O-N 2.97Å; I28-A31 PolarHBondContact O-N 3.49Å; I28-V32 HydrophobicContact CG2-CG2 4.25Å; I28-V32 VanDerWaalsContact O-CG2 3.31Å; I28-V32 WeakPolarHBondContact O-CG2 3.4Å; I28-V32 PolarHBondContact O-N 3.36Å |
| 29 | Y | 94.1 | Very high | 92.3 | Very high | 148 Ų | 148 | 92.5 Ų | 92.5 | 58% | 0.58 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -58.9 | -46.3 | 179.7 | 176.6 | -108.1 | 0 | 0 | 0 | 111.9 | L25 L26 A31 V32 I33 | L25-Y29 VanDerWaalsContact O-CB 3.29Å; L25-Y29 WeakPolarHBondContact O-CB 3.47Å; L25-Y29 PolarHBondContact O-N 3.48Å; L26-Y29 PolarHBondContact O-N 3.3Å; Y29-A31 PolarHBondContact O-N 3.21Å; Y29-V32 PolarHBondContact O-N 3.44Å; Y29-I33 HydrophobicContact CD1-CD1 3.72Å; Y29-I33 HydrophobicContact CD2-CD1 4.2Å; Y29-I33 HydrophobicContact CE1-CD1 3.23Å; Y29-I33 HydrophobicContact CE2-CD1 3.76Å; Y29-I33 HydrophobicContact CE2-CG1 4.36Å; Y29-I33 HydrophobicContact CG-CD1 4.18Å; Y29-I33 WeakPolarHBondContact O-CG1 3.25Å; Y29-I33 PolarHBondContact O-N 2.86Å |
| 30 | L | 91.2 | Very high | 92 | Very high | 92 Ų | 92 | 92.1 Ų | 92.1 | 48% | 0.482 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.2 | -40.7 | 175.9 | -69.8 | 173.7 | 0 | 0 | 0 | 112.2 | L26 L27 I28 I33 S34 | L26-L30 HydrophobicContact CD1-CD1 4.44Å; L26-L30 HydrophobicContact CD1-CG 4.37Å; L26-L30 HydrophobicContact CG-CD1 4.14Å; L26-L30 HydrophobicContact CG-CG 4.47Å; L26-L30 WeakPolarHBondContact O-CB 3.45Å; L26-L30 VanDerWaalsContact O-CG 3.25Å; L26-L30 WeakPolarHBondContact O-CG 3.33Å; L26-L30 PolarHBondContact O-N 2.91Å; L27-L30 PolarHBondContact O-N 3.43Å; I28-L30 PolarHBondContact O-N 2.97Å; L30-I33 PolarHBondContact O-N 2.88Å; L30-S34 VanDerWaalsContact O-CB 3.29Å; L30-S34 WeakPolarHBondContact O-CB 3.34Å; L30-S34 PolarHBondContact O-N 2.88Å |
| 31 | A | 90.1 | Very high | 91.8 | Very high | 49 Ų | 49 | 89.5 Ų | 89.5 | 41% | 0.405 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.6 | -43.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L27 I28 Y29 S34 N35 | L27-A31 WeakPolarHBondContact O-CB 3.46Å; L27-A31 PolarHBondContact O-N 3.45Å; I28-A31 PolarHBondContact O-N 3.49Å; Y29-A31 PolarHBondContact O-N 3.21Å; A31-S34 PolarHBondContact O-N 3.46Å; A31-N35 WeakPolarHBondContact O-CB 3.29Å; A31-N35 PolarHBondContact O-N 3.47Å |
| 32 | V | 90.1 | Very high | 91.6 | Very high | 94 Ų | 94 | 88 Ų | 88 | 57% | 0.57 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -61.7 | -46.2 | 176 | 170.1 | 0 | 0 | 0 | 0 | 110.8 | I28 Y29 N35 G36 | I28-V32 HydrophobicContact CG2-CG2 4.25Å; I28-V32 VanDerWaalsContact O-CG2 3.31Å; I28-V32 WeakPolarHBondContact O-CG2 3.4Å; I28-V32 PolarHBondContact O-N 3.36Å; Y29-V32 PolarHBondContact O-N 3.44Å; V32-N35 PolarHBondContact O-N 3.2Å; V32-G36 PolarHBondContact O-N 2.9Å |
| 33 | I | 86.7 | Confident | 91.3 | Very high | 46 Ų | 46 | 88.1 Ų | 88.1 | 24% | 0.236 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -61.1 | -48.3 | 176.2 | -71.6 | 165.6 | 0 | 0 | 0 | 111.1 | Y29 L30 N35 G36 R37 | Y29-I33 HydrophobicContact CD1-CD1 3.72Å; Y29-I33 HydrophobicContact CD2-CD1 4.2Å; Y29-I33 HydrophobicContact CE1-CD1 3.23Å; Y29-I33 HydrophobicContact CE2-CD1 3.76Å; Y29-I33 HydrophobicContact CE2-CG1 4.36Å; Y29-I33 HydrophobicContact CG-CD1 4.18Å; Y29-I33 WeakPolarHBondContact O-CG1 3.25Å; Y29-I33 PolarHBondContact O-N 2.86Å; L30-I33 PolarHBondContact O-N 2.88Å; I33-N35 VanDerWaalsContact C-N 3.34Å; I33-N35 PolarHBondContact O-N 3.48Å; I33-G36 PolarHBondContact O-N 3.38Å; I33-R37 HydrophobicContact CG2-CG 4.46Å; I33-R37 WeakPolarHBondContact O-CG 3.43Å; I33-R37 PolarHBondContact O-N 2.93Å |
| 34 | S | 84.3 | Confident | 91.2 | Very high | 74 Ų | 74 | 84.6 Ų | 84.6 | 52% | 0.517 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -59.5 | -46.1 | -179 | -173.9 | 0 | 0 | 0 | 0 | 111.4 | L30 A31 G36 R37 R38 | L30-S34 VanDerWaalsContact O-CB 3.29Å; L30-S34 WeakPolarHBondContact O-CB 3.34Å; L30-S34 PolarHBondContact O-N 2.88Å; A31-S34 PolarHBondContact O-N 3.46Å; S34-G36 PolarHBondContact O-N 3.34Å; S34-R37 PolarHBondContact O-N 2.95Å; S34-R38 PolarHBondContact O-N 3.44Å |
| 35 | N | 86.9 | Confident | 91.1 | Very high | 94 Ų | 94 | 78.9 Ų | 78.9 | 50% | 0.503 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.5 | -40.4 | 175.7 | -77.8 | -10.2 | 0 | 0 | 0 | 112.1 | A31 V32 I33 R38 R39 | A31-N35 WeakPolarHBondContact O-CB 3.29Å; A31-N35 PolarHBondContact O-N 3.47Å; V32-N35 PolarHBondContact O-N 3.2Å; I33-N35 VanDerWaalsContact C-N 3.34Å; I33-N35 PolarHBondContact O-N 3.48Å; N35-R38 PolarHBondContact O-N 2.89Å; N35-R39 WeakPolarHBondContact O-CG 3.03Å; N35-R39 PolarHBondContact O-N 3.38Å |
| 36 | G | 87.1 | Confident | 91 | Very high | 40 Ų | 40 | 79.2 Ų | 79.2 | 41% | 0.412 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59.2 | -47.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V32 I33 S34 R38 R39 S40 | V32-G36 PolarHBondContact O-N 2.9Å; I33-G36 PolarHBondContact O-N 3.38Å; S34-G36 PolarHBondContact O-N 3.34Å; G36-R38 PolarHBondContact O-N 3.49Å; G36-R39 PolarHBondContact O-N 3.02Å; G36-S40 PolarHBondContact O-N 3.36Å |
| 37 | R | 86.4 | Confident | 91 | Very high | 141 Ų | 141 | 75.9 Ų | 75.9 | 53% | 0.532 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.2 | -46.6 | 176.5 | -66.5 | -178.4 | -161.5 | 177.1 | 4.5 | 111.3 | I33 S34 R39 S40 A41 A75 | I33-R37 HydrophobicContact CG2-CG 4.46Å; I33-R37 WeakPolarHBondContact O-CG 3.43Å; I33-R37 PolarHBondContact O-N 2.93Å; S34-R37 PolarHBondContact O-N 2.95Å; R37-R39 PolarHBondContact O-N 2.98Å; R37-S40 WeakPolarHBondContact O-CB 3.37Å; R37-S40 PolarHBondContact O-N 3.16Å; R37-A41 PolarHBondContact O-N 2.85Å; R37-A75 HydrophobicContact CB-CB 3.72Å; R37-A75 WeakPolarHBondContact O-CB 3.39Å |
| 38 | R | 87.2 | Confident | 91 | Very high | 87 Ų | 87 | 71 Ų | 71 | 33% | 0.328 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -57.7 | -46.2 | 178.1 | -176 | 179.8 | 174.1 | 105 | -0.6 | 111.7 | S34 N35 G36 S40 A41 M42 V73 | S34-R38 PolarHBondContact O-N 3.44Å; N35-R38 PolarHBondContact O-N 2.89Å; G36-R38 PolarHBondContact O-N 3.49Å; R38-S40 PolarHBondContact O-N 3.4Å; R38-A41 PolarHBondContact O-N 2.82Å; R38-M42 HydrophobicContact CG-CE 4.05Å; R38-M42 HydrophobicContact CG-SD 4.2Å; R38-M42 VanDerWaalsContact NE-CE 3.3Å; R38-M42 WeakPolarHBondContact O-CG 3.42Å; R38-M42 PolarHBondContact O-N 3.34Å; R38-V73 PolarHBondContact NH1-O 2.98Å; R38-V73 VanDerWaalsContact NH1-O 3.16Å |
| 39 | R | 89 | Confident | 91.1 | Very high | 184 Ų | 184 | 67.9 Ų | 67.9 | 69% | 0.694 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -59.7 | -45 | 175.8 | -76 | 179.2 | 177.9 | -178 | -0.8 | 112 | N35 G36 R37 A41 M42 M43 | N35-R39 WeakPolarHBondContact O-CG 3.03Å; N35-R39 PolarHBondContact O-N 3.38Å; G36-R39 PolarHBondContact O-N 3.02Å; R37-R39 PolarHBondContact O-N 2.98Å; R39-A41 VanDerWaalsContact C-N 3.32Å; R39-A41 PolarHBondContact O-N 3.01Å; R39-M42 PolarHBondContact O-N 2.89Å; R39-M43 WeakPolarHBondContact O-CG 3.3Å; R39-M43 PolarHBondContact O-N 3.43Å |
| 40 | S | 89.4 | Confident | 91.3 | Very high | 48 Ų | 48 | 65.8 Ų | 65.8 | 34% | 0.336 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.3 | -41.2 | 176.7 | -173.7 | 0 | 0 | 0 | 0 | 112.3 | G36 R37 R38 M43 I44 | G36-S40 PolarHBondContact O-N 3.36Å; R37-S40 WeakPolarHBondContact O-CB 3.37Å; R37-S40 PolarHBondContact O-N 3.16Å; R38-S40 PolarHBondContact O-N 3.4Å; S40-M43 PolarHBondContact O-N 2.96Å; S40-I44 WeakPolarHBondContact O-CG1 3.4Å; S40-I44 PolarHBondContact O-N 3.16Å |
| 41 | A | 91.7 | Very high | 91.6 | Very high | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.008 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.2 | -39.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | R37 R38 R39 I44 V45 V73 A75 I84 | R37-A41 PolarHBondContact O-N 2.85Å; R38-A41 PolarHBondContact O-N 2.82Å; R39-A41 VanDerWaalsContact C-N 3.32Å; R39-A41 PolarHBondContact O-N 3.01Å; A41-I44 PolarHBondContact O-N 2.98Å; A41-V45 WeakPolarHBondContact O-CG2 2.94Å; A41-V45 PolarHBondContact O-N 2.99Å; A41-V45 VanDerWaalsContact O-N 3.11Å; A41-V73 HydrophobicContact CB-CG1 3.75Å; A41-A75 HydrophobicContact CB-CB 3.53Å; A41-I84 HydrophobicContact CB-CD1 4.22Å; A41-I84 HydrophobicContact CB-CG1 4.1Å; A41-I84 HydrophobicContact CB-CG2 4.1Å |
| 42 | M | 92.1 | Very high | 92 | Very high | 60 Ų | 60 | 64.1 Ų | 64.1 | 30% | 0.296 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.8 | -46 | 173.9 | -73.1 | 170.2 | 163.8 | 0 | 0 | 111.2 | R38 R39 I44 V45 D46 V73 | R38-M42 HydrophobicContact CG-CE 4.05Å; R38-M42 HydrophobicContact CG-SD 4.2Å; R38-M42 VanDerWaalsContact NE-CE 3.3Å; R38-M42 WeakPolarHBondContact O-CG 3.42Å; R38-M42 PolarHBondContact O-N 3.34Å; R39-M42 PolarHBondContact O-N 2.89Å; M42-I44 VanDerWaalsContact C-N 3.27Å; M42-I44 PolarHBondContact O-N 3.05Å; M42-V45 PolarHBondContact O-N 2.74Å; M42-V45 VanDerWaalsContact O-N 3.1Å; M42-D46 WeakPolarHBondContact O-CB 3.33Å; M42-D46 VanDerWaalsContact O-CG 3.24Å; M42-D46 PolarHBondContact O-N 3.2Å; M42-V73 HydrophobicContact CE-CB 4.41Å; M42-V73 HydrophobicContact CG-CB 3.96Å; M42-V73 HydrophobicContact CG-CG1 4.18Å; M42-V73 HydrophobicContact CG-CG2 4.42Å |
| 43 | M | 92.4 | Very high | 92.3 | Very high | 122 Ų | 122 | 67.1 Ų | 67.1 | 60% | 0.601 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -58.3 | -38.2 | 177.4 | -70.4 | 174.5 | 65.3 | 0 | 0 | 113.1 | R39 S40 A47 | R39-M43 WeakPolarHBondContact O-CG 3.3Å; R39-M43 PolarHBondContact O-N 3.43Å; S40-M43 PolarHBondContact O-N 2.96Å; M43-A47 VanDerWaalsContact O-CB 3.28Å; M43-A47 WeakPolarHBondContact O-CB 3.44Å; M43-A47 PolarHBondContact O-N 3.23Å |
| 44 | I | 94 | Very high | 92.9 | Very high | 3 Ų | 3 | 69 Ų | 69 | 2% | 0.015 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.8 | -44.8 | 176.7 | -68.9 | 166.2 | 0 | 0 | 0 | 110.7 | S40 A41 M42 A47 L48 I84 Q100 F101 M189 | S40-I44 WeakPolarHBondContact O-CG1 3.4Å; S40-I44 PolarHBondContact O-N 3.16Å; A41-I44 PolarHBondContact O-N 2.98Å; M42-I44 VanDerWaalsContact C-N 3.27Å; M42-I44 PolarHBondContact O-N 3.05Å; I44-A47 PolarHBondContact O-N 3.41Å; I44-L48 WeakPolarHBondContact O-CB 3.37Å; I44-L48 PolarHBondContact O-N 3.27Å; I44-I84 HydrophobicContact CB-CD1 3.86Å; I44-I84 HydrophobicContact CD1-CD1 4.26Å; I44-I84 HydrophobicContact CG2-CD1 3.61Å; I44-Q100 HydrophobicContact CD1-CB 3.97Å; I44-Q100 HydrophobicContact CD1-CG 3.93Å; I44-Q100 HydrophobicContact CG1-CB 4.21Å; I44-Q100 VanDerWaalsContact CG2-O 3.31Å; I44-Q100 WeakPolarHBondContact CG2-O 3.49Å; I44-F101 HydrophobicContact CG1-CE1 3.96Å; I44-F101 HydrophobicContact CG1-CZ 4.16Å; I44-M189 HydrophobicContact CG2-CE 3.52Å |
| 45 | V | 94.8 | Very high | 93.4 | Very high | 2 Ų | 2 | 68 Ų | 68 | 1% | 0.012 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -68.2 | -41.3 | 179 | 177.2 | 0 | 0 | 0 | 0 | 111.4 | A41 M42 A47 L48 C49 I65 L71 V73 I84 I86 | A41-V45 WeakPolarHBondContact O-CG2 2.94Å; A41-V45 PolarHBondContact O-N 2.99Å; A41-V45 VanDerWaalsContact O-N 3.11Å; M42-V45 PolarHBondContact O-N 2.74Å; M42-V45 VanDerWaalsContact O-N 3.1Å; V45-A47 PolarHBondContact O-N 3.27Å; V45-L48 WeakPolarHBondContact O-CB 3.39Å; V45-L48 PolarHBondContact O-N 3.21Å; V45-C49 WeakPolarHBondContact O-CB 3.41Å; V45-C49 PolarHBondContact O-N 3.5Å; V45-C49 PolarHBondContact O-SG 3.21Å; V45-C49 VanDerWaalsContact O-SG 3.36Å; V45-I65 HydrophobicContact CG1-CG2 3.97Å; V45-L71 HydrophobicContact CG1-CD2 3.9Å; V45-V73 HydrophobicContact CG2-CG1 4.29Å; V45-V73 HydrophobicContact CG2-CG2 4.36Å; V45-I84 HydrophobicContact CG2-CD1 4.08Å; V45-I84 HydrophobicContact CG2-CG2 4.19Å; V45-I86 HydrophobicContact CG2-CD1 4.17Å |
| 46 | D | 94.9 | Very high | 93.9 | Very high | 105 Ų | 105 | 67.7 Ų | 67.7 | 56% | 0.561 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -61.2 | -45.2 | 176.2 | -69.6 | -21.6 | 0 | 0 | 0 | 110.9 | M42 C49 Q50 | M42-D46 WeakPolarHBondContact O-CB 3.33Å; M42-D46 VanDerWaalsContact O-CG 3.24Å; M42-D46 PolarHBondContact O-N 3.2Å; D46-C49 PolarHBondContact O-N 2.79Å; D46-Q50 WeakPolarHBondContact O-CB 3.41Å; D46-Q50 PolarHBondContact O-N 3.1Å |
| 47 | A | 96.1 | Very high | 94.4 | Very high | 21 Ų | 21 | 66 Ų | 66 | 17% | 0.174 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | M43 I44 V45 C49 Q50 R51 F101 | M43-A47 VanDerWaalsContact O-CB 3.28Å; M43-A47 WeakPolarHBondContact O-CB 3.44Å; M43-A47 PolarHBondContact O-N 3.23Å; I44-A47 PolarHBondContact O-N 3.41Å; V45-A47 PolarHBondContact O-N 3.27Å; A47-C49 VanDerWaalsContact C-N 3.34Å; A47-C49 PolarHBondContact O-N 2.85Å; A47-Q50 PolarHBondContact O-N 3.29Å; A47-R51 WeakPolarHBondContact O-CG 3.37Å; A47-R51 PolarHBondContact O-N 3.47Å; A47-R51 VanDerWaalsContact O-N 3.13Å; A47-F101 HydrophobicContact CB-CD1 4Å; A47-F101 HydrophobicContact CB-CE1 4.2Å |
| 48 | L | 97.5 | Very high | 94.8 | Very high | 3 Ų | 3 | 60 Ų | 60 | 2% | 0.016 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.3 | -48.1 | 174.6 | 178.6 | 72 | 0 | 0 | 0 | 111 | I44 V45 R51 Y52 L57 C186 M189 | I44-L48 WeakPolarHBondContact O-CB 3.37Å; I44-L48 PolarHBondContact O-N 3.27Å; V45-L48 WeakPolarHBondContact O-CB 3.39Å; V45-L48 PolarHBondContact O-N 3.21Å; L48-R51 PolarHBondContact O-N 3.17Å; L48-Y52 PolarHBondContact O-N 2.85Å; L48-L57 HydrophobicContact CD1-CD1 4.37Å; L48-L57 HydrophobicContact CD1-CD2 3.75Å; L48-C186 WeakPolarHBondContact CD1-O 3.42Å; L48-C186 HydrophobicContact CD2-CB 4.15Å; L48-M189 HydrophobicContact CD1-CG 4.39Å; L48-M189 HydrophobicContact CD2-CB 4.4Å; L48-M189 HydrophobicContact CD2-CG 4.22Å |
| 49 | C | 97.5 | Very high | 95.2 | Very high | 12 Ų | 12 | 57 Ų | 57 | 8% | 0.081 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -70.7 | -33.7 | -178.1 | -70.1 | 0 | 0 | 0 | 0 | 113.6 | V45 D46 A47 R51 Y52 K53 C66 | V45-C49 WeakPolarHBondContact O-CB 3.41Å; V45-C49 PolarHBondContact O-N 3.5Å; V45-C49 PolarHBondContact O-SG 3.21Å; V45-C49 VanDerWaalsContact O-SG 3.36Å; D46-C49 PolarHBondContact O-N 2.79Å; A47-C49 VanDerWaalsContact C-N 3.34Å; A47-C49 PolarHBondContact O-N 2.85Å; C49-R51 VanDerWaalsContact C-N 3.35Å; C49-Y52 PolarHBondContact O-N 2.89Å; C49-K53 VanDerWaalsContact O-CG 3.31Å; C49-K53 WeakPolarHBondContact O-CG 3.31Å; C49-K53 PolarHBondContact O-N 3.39Å; C49-C66 WeakPolarHBondContact CA-SG 3.33Å; C49-C66 HydrophobicContact CB-CB 3.57Å; C49-C66 WeakPolarHBondContact CB-SG 3.25Å; C49-C66 WeakPolarHBondContact SG-CA 3.28Å; C49-C66 WeakPolarHBondContact SG-CB 3.5Å; C49-C66 CovalentContact SG-SG 2.04Å; C49-C66 PolarHBondContact SG-SG 2.84Å |
| 50 | Q | 97.9 | Very high | 95.4 | Very high | 103 Ų | 103 | 52.4 Ų | 52.4 | 48% | 0.481 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.9 | -47.1 | 171.1 | -176.6 | -178.5 | -10.4 | 0 | 0 | 110.5 | D46 A47 Y52 K53 E54 | D46-Q50 WeakPolarHBondContact O-CB 3.41Å; D46-Q50 PolarHBondContact O-N 3.1Å; A47-Q50 PolarHBondContact O-N 3.29Å; Q50-Y52 VanDerWaalsContact C-N 3.32Å; Q50-Y52 PolarHBondContact O-N 2.98Å; Q50-K53 PolarHBondContact O-N 2.91Å; Q50-E54 VanDerWaalsContact CG-OE1 3.3Å; Q50-E54 WeakPolarHBondContact CG-OE1 3.12Å; Q50-E54 PolarHBondContact NE2-OE1 3.17Å; Q50-E54 WeakPolarHBondContact O-CB 3.47Å; Q50-E54 VanDerWaalsContact O-CG 3.28Å; Q50-E54 WeakPolarHBondContact O-CG 3.37Å; Q50-E54 PolarHBondContact O-N 2.93Å |
| 51 | R | 98.1 | Very high | 95.7 | Very high | 46 Ų | 46 | 51.6 Ų | 51.6 | 17% | 0.174 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.2 | -34.1 | 178.6 | -61.4 | -60.8 | 147.7 | 67.7 | -0.5 | 113.2 | A47 L48 C49 E54 G55 K56 L57 D103 | A47-R51 WeakPolarHBondContact O-CG 3.37Å; A47-R51 PolarHBondContact O-N 3.47Å; A47-R51 VanDerWaalsContact O-N 3.13Å; L48-R51 PolarHBondContact O-N 3.17Å; C49-R51 VanDerWaalsContact C-N 3.35Å; R51-E54 IonicContact NE-OE2 3.69Å; R51-E54 PolarHBondContact O-N 3.14Å; R51-G55 PolarHBondContact O-N 3.03Å; R51-K56 HydrophobicContact CB-CB 4.34Å; R51-K56 WeakPolarHBondContact O-CB 3.14Å; R51-K56 PolarHBondContact O-N 3.32Å; R51-L57 HydrophobicContact CB-CD2 3.52Å; R51-L57 HydrophobicContact CB-CG 4.02Å; R51-D103 IonicContact CZ-OD1 2.85Å; R51-D103 IonicContact CZ-OD2 3.29Å; R51-D103 IonicContact NH1-OD1 3.99Å; R51-D103 PolarHBondContact NH1-OD1 3.03Å; R51-D103 IonicContact NH1-OD2 3.35Å; R51-D103 PolarHBondContact NH1-OD2 3.19Å; R51-D103 IonicContact NH2-OD2 2.82Å |
| 52 | Y | 98.1 | Very high | 95.9 | Very high | 61 Ų | 61 | 51.5 Ų | 51.5 | 24% | 0.239 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.2 | -49.6 | 171.9 | 176.7 | -125.9 | 0 | 0 | 0 | 111.6 | L48 C49 Q50 E54 G55 L57 C62 E63 C66 | L48-Y52 PolarHBondContact O-N 2.85Å; C49-Y52 PolarHBondContact O-N 2.89Å; Q50-Y52 VanDerWaalsContact C-N 3.32Å; Q50-Y52 PolarHBondContact O-N 2.98Å; Y52-E54 VanDerWaalsContact C-N 3.26Å; Y52-E54 PolarHBondContact O-N 3.03Å; Y52-G55 WeakPolarHBondContact O-CA 3.41Å; Y52-G55 PolarHBondContact O-N 3.23Å; Y52-L57 HydrophobicContact CD2-CD1 4.18Å; Y52-L57 HydrophobicContact CG-CD1 4.37Å; Y52-C62 HydrophobicContact CD1-CB 3.74Å; Y52-C62 HydrophobicContact CD2-CB 3.46Å; Y52-C62 VanDerWaalsContact CD2-CB 3.46Å; Y52-C62 HydrophobicContact CE1-CB 3.7Å; Y52-C62 HydrophobicContact CE2-CB 3.43Å; Y52-C62 VanDerWaalsContact CE2-CB 3.43Å; Y52-C62 HydrophobicContact CG-CB 3.62Å; Y52-E63 PolarHBondContact OH-OE2 3.07Å; Y52-C66 HydrophobicContact CD1-CB 3.85Å; Y52-C66 HydrophobicContact CE1-CB 4.44Å |
| 53 | K | 97.5 | Very high | 96 | Very high | 156 Ų | 156 | 53.6 Ų | 53.6 | 68% | 0.678 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -62.9 | -31.8 | 178.3 | -70.8 | 173.8 | -176.9 | 179.4 | 0 | 112.7 | C49 Q50 G55 | C49-K53 VanDerWaalsContact O-CG 3.31Å; C49-K53 WeakPolarHBondContact O-CG 3.31Å; C49-K53 PolarHBondContact O-N 3.39Å; Q50-K53 PolarHBondContact O-N 2.91Å; K53-G55 PolarHBondContact O-N 3.09Å |
| 54 | E | 97.5 | Very high | 96.1 | Very high | 87 Ų | 87 | 50.1 Ų | 50.1 | 41% | 0.407 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -1.2 | 172 | -69.9 | 170.8 | -171.4 | 0 | 0 | 113.5 | Q50 R51 Y52 K56 | Q50-E54 VanDerWaalsContact CG-OE1 3.3Å; Q50-E54 WeakPolarHBondContact CG-OE1 3.12Å; Q50-E54 PolarHBondContact NE2-OE1 3.17Å; Q50-E54 WeakPolarHBondContact O-CB 3.47Å; Q50-E54 VanDerWaalsContact O-CG 3.28Å; Q50-E54 WeakPolarHBondContact O-CG 3.37Å; Q50-E54 PolarHBondContact O-N 2.93Å; R51-E54 IonicContact NE-OE2 3.69Å; R51-E54 PolarHBondContact O-N 3.14Å; Y52-E54 VanDerWaalsContact C-N 3.26Å; Y52-E54 PolarHBondContact O-N 3.03Å; E54-K56 HydrophobicContact CB-CD 4.22Å; E54-K56 HydrophobicContact CB-CG 4.12Å; E54-K56 PolarHBondContact O-N 2.98Å; E54-K56 WeakPolarHBondContact OE2-CD 3.4Å; E54-K56 WeakPolarHBondContact OE2-CE 3.13Å; E54-K56 IonicContact OE2-NZ 3.55Å; E54-K56 PolarHBondContact OE2-NZ 3.41Å |
| 55 | G | 96.5 | Very high | 96.1 | Very high | 52 Ų | 52 | 50 Ų | 50 | 54% | 0.536 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | 18.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | R51 Y52 K53 A153 | R51-G55 PolarHBondContact O-N 3.03Å; Y52-G55 WeakPolarHBondContact O-CA 3.41Å; Y52-G55 PolarHBondContact O-N 3.23Å; K53-G55 PolarHBondContact O-N 3.09Å; G55-A153 WeakPolarHBondContact O-CB 3.31Å |
| 56 | K | 97 | Very high | 96.2 | Very high | 88 Ų | 88 | 50.5 Ų | 50.5 | 38% | 0.383 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -84.2 | -22.4 | -176.1 | -71.1 | 179.1 | 176.7 | 163.8 | 0 | 114 | R51 E54 | R51-K56 HydrophobicContact CB-CB 4.34Å; R51-K56 WeakPolarHBondContact O-CB 3.14Å; R51-K56 PolarHBondContact O-N 3.32Å; E54-K56 HydrophobicContact CB-CD 4.22Å; E54-K56 HydrophobicContact CB-CG 4.12Å; E54-K56 PolarHBondContact O-N 2.98Å; E54-K56 WeakPolarHBondContact OE2-CD 3.4Å; E54-K56 WeakPolarHBondContact OE2-CE 3.13Å; E54-K56 IonicContact OE2-NZ 3.55Å; E54-K56 PolarHBondContact OE2-NZ 3.41Å |
| 57 | L | 97 | Very high | 96 | Very high | 3 Ų | 3 | 48.4 Ų | 48.4 | 2% | 0.016 | 26% | 0.261 | C | S | . | . | trans | -141 | 160.2 | 179.9 | 64.2 | 78.8 | 0 | 0 | 0 | 110 | L48 R51 Y52 F102 | L48-L57 HydrophobicContact CD1-CD1 4.37Å; L48-L57 HydrophobicContact CD1-CD2 3.75Å; R51-L57 HydrophobicContact CB-CD2 3.52Å; R51-L57 HydrophobicContact CB-CG 4.02Å; Y52-L57 HydrophobicContact CD2-CD1 4.18Å; Y52-L57 HydrophobicContact CG-CD1 4.37Å; L57-F102 HydrophobicContact CB-CD1 4.35Å; L57-F102 HydrophobicContact CB-CE1 3.89Å; L57-F102 HydrophobicContact CB-CE2 4.1Å; L57-F102 HydrophobicContact CB-CZ 3.74Å; L57-F102 HydrophobicContact CD2-CB 4.17Å; L57-F102 HydrophobicContact CD2-CD1 3.97Å; L57-F102 HydrophobicContact CD2-CD2 4.09Å; L57-F102 HydrophobicContact CD2-CE1 4.36Å; L57-F102 HydrophobicContact CD2-CE2 4.49Å; L57-F102 HydrophobicContact CD2-CG 3.82Å | ||
| 58 | S | 95.4 | Very high | 95.2 | Very high | 17 Ų | 17 | 53 Ų | 53 | 12% | 0.119 | 28% | 0.275 | C | S | . | . | trans | -136.4 | 172.2 | 175.8 | 73.8 | 0 | 0 | 0 | 0 | 111.6 | C62 D154 S157 G187 | S58-C62 VanDerWaalsContact C-SG 3.6Å; S58-D154 WeakPolarHBondContact CB-OD1 3.39Å; S58-D154 VanDerWaalsContact OG-CA 3.27Å; S58-D154 WeakPolarHBondContact OG-CA 3Å; S58-D154 PolarHBondContact OG-OD1 2.85Å; S58-S157 PolarHBondContact N-OG 2.84Å; S58-S157 WeakPolarHBondContact O-CB 3.06Å; S58-S157 PolarHBondContact O-OG 3.18Å; S58-G187 PolarHBondContact O-N 3.11Å | ||
| 59 | G | 94.8 | Very high | 94.1 | Very high | 24 Ų | 24 | 62.1 Ų | 62.1 | 25% | 0.247 | 32% | 0.317 | C | S | . | . | trans | 165 | 160.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y61 C62 T185 | G59-Y61 PolarHBondContact O-N 3.18Å; G59-C62 PolarHBondContact O-N 2.56Å; G59-T185 CarbonylContact C-O 3.55Å; G59-T185 WeakPolarHBondContact CA-O 3.39Å | ||
| 60 | S | 93.6 | Very high | 93.4 | Very high | 86 Ų | 86 | 67.3 Ų | 67.3 | 60% | 0.601 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -22.6 | -175.3 | 57.1 | 0 | 0 | 0 | 0 | 113.9 | G184 T185 | S60-G184 WeakPolarHBondContact OG-CA 3.33Å; S60-T185 PolarHBondContact N-O 3.12Å; S60-T185 PolarHBondContact OG-N 3.48Å |
| 61 | Y | 95.4 | Very high | 92.9 | Very high | 31 Ų | 31 | 64.6 Ų | 64.6 | 12% | 0.122 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | -2.1 | -177.1 | -86.5 | -142.5 | 0 | 0 | 0 | 112.9 | G59 E63 K64 I65 F93 I183 G184 T185 A191 | G59-Y61 PolarHBondContact O-N 3.18Å; Y61-E63 PolarHBondContact O-N 3.19Å; Y61-K64 HydrophobicContact CD1-CD 4.2Å; Y61-K64 HydrophobicContact CE1-CD 4.26Å; Y61-K64 PolarHBondContact O-N 2.94Å; Y61-I65 WeakPolarHBondContact O-CB 3.19Å; Y61-I65 WeakPolarHBondContact O-CD1 3.18Å; Y61-I65 VanDerWaalsContact O-CG1 3.26Å; Y61-I65 WeakPolarHBondContact O-CG1 3.39Å; Y61-I65 PolarHBondContact O-N 3.45Å; Y61-F93 HydrophobicContact CD1-CE1 4.48Å; Y61-F93 HydrophobicContact CD1-CE2 4.19Å; Y61-F93 HydrophobicContact CD1-CZ 4.06Å; Y61-F93 HydrophobicContact CE1-CE1 4.34Å; Y61-F93 HydrophobicContact CE1-CZ 4.35Å; Y61-I183 HydrophobicContact CE1-CD1 4.09Å; Y61-I183 HydrophobicContact CE1-CG1 4.09Å; Y61-I183 WeakPolarHBondContact CE2-O 3.11Å; Y61-I183 VanDerWaalsContact CZ-O 3.26Å; Y61-I183 PolarHBondContact OH-O 2.99Å; Y61-I183 VanDerWaalsContact OH-O 3.13Å; Y61-G184 VanDerWaalsContact CD2-CA 3.5Å; Y61-T185 PolarHBondContact N-O 2.75Å; Y61-A191 HydrophobicContact CD1-CB 3.75Å; Y61-A191 HydrophobicContact CE1-CB 3.85Å |
| 62 | C | 96.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58.8 | -48.1 | -178.9 | -70.5 | 0 | 0 | 0 | 0 | 112.5 | Y52 S58 G59 K64 I65 C66 C186 | Y52-C62 HydrophobicContact CD1-CB 3.74Å; Y52-C62 HydrophobicContact CD2-CB 3.46Å; Y52-C62 VanDerWaalsContact CD2-CB 3.46Å; Y52-C62 HydrophobicContact CE1-CB 3.7Å; Y52-C62 HydrophobicContact CE2-CB 3.43Å; Y52-C62 VanDerWaalsContact CE2-CB 3.43Å; Y52-C62 HydrophobicContact CG-CB 3.62Å; S58-C62 VanDerWaalsContact C-SG 3.6Å; G59-C62 PolarHBondContact O-N 2.56Å; C62-K64 PolarHBondContact O-N 3.18Å; C62-I65 PolarHBondContact O-N 3.37Å; C62-C66 WeakPolarHBondContact O-CB 3.31Å; C62-C66 PolarHBondContact O-N 2.96Å; C62-C66 PolarHBondContact O-SG 3.3Å; C62-C66 VanDerWaalsContact O-SG 3.37Å; C62-C186 WeakPolarHBondContact CA-SG 3.46Å; C62-C186 HydrophobicContact CB-CB 4.01Å; C62-C186 WeakPolarHBondContact CB-SG 3.48Å; C62-C186 WeakPolarHBondContact SG-CA 3.49Å; C62-C186 WeakPolarHBondContact SG-CB 3.48Å; C62-C186 CovalentContact SG-SG 2.05Å; C62-C186 PolarHBondContact SG-SG 3.3Å |
| 63 | E | 94.7 | Very high | 92.2 | Very high | 104 Ų | 104 | 64.8 Ų | 64.8 | 49% | 0.486 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61 | -45.2 | 177.2 | -170.4 | 60.5 | -150.9 | 0 | 0 | 111.4 | Y52 Y61 I65 C66 S67 | Y52-E63 PolarHBondContact OH-OE2 3.07Å; Y61-E63 PolarHBondContact O-N 3.19Å; E63-I65 VanDerWaalsContact C-N 3.3Å; E63-I65 PolarHBondContact O-N 3.11Å; E63-C66 PolarHBondContact O-N 3.5Å; E63-S67 VanDerWaalsContact O-CB 3.29Å; E63-S67 WeakPolarHBondContact O-CB 3.43Å; E63-S67 PolarHBondContact O-N 3Å; E63-S67 VanDerWaalsContact O-N 3.07Å; E63-S67 WeakPolarHBondContact OE1-CB 3.41Å; E63-S67 PolarHBondContact OE1-OG 3.48Å; E63-S67 PolarHBondContact OE2-OG 3.29Å |
| 64 | K | 93.2 | Very high | 91.6 | Very high | 48 Ų | 48 | 60.9 Ų | 60.9 | 21% | 0.209 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -56.7 | -43.5 | 177 | -175.9 | -172.8 | -72.1 | -165.3 | 0 | 111.6 | Y61 C62 Y68 I88 E91 F93 | Y61-K64 HydrophobicContact CD1-CD 4.2Å; Y61-K64 HydrophobicContact CE1-CD 4.26Å; Y61-K64 PolarHBondContact O-N 2.94Å; C62-K64 PolarHBondContact O-N 3.18Å; K64-Y68 HydrophobicContact CB-CE2 4.48Å; K64-Y68 HydrophobicContact CG-CE2 4.36Å; K64-Y68 WeakPolarHBondContact O-CB 3.29Å; K64-Y68 WeakPolarHBondContact O-CD2 3.15Å; K64-I88 HydrophobicContact CD-CD1 4.39Å; K64-I88 HydrophobicContact CG-CD1 3.94Å; K64-I88 WeakPolarHBondContact O-CD1 3.38Å; K64-E91 IonicContact NZ-OE1 2.65Å; K64-E91 PolarHBondContact NZ-OE1 2.96Å; K64-E91 IonicContact NZ-OE2 2.72Å; K64-E91 PolarHBondContact NZ-OE2 2.97Å; K64-F93 HydrophobicContact CD-CE1 4.4Å |
| 65 | I | 95 | Very high | 90.5 | Very high | 2 Ų | 2 | 57.8 Ų | 57.8 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -80.4 | -39.5 | -175.8 | -64.7 | 159 | 0 | 0 | 0 | 111.3 | V45 Y61 C62 E63 L71 I88 F93 L95 C186 | V45-I65 HydrophobicContact CG1-CG2 3.97Å; Y61-I65 WeakPolarHBondContact O-CB 3.19Å; Y61-I65 WeakPolarHBondContact O-CD1 3.18Å; Y61-I65 VanDerWaalsContact O-CG1 3.26Å; Y61-I65 WeakPolarHBondContact O-CG1 3.39Å; Y61-I65 PolarHBondContact O-N 3.45Å; C62-I65 PolarHBondContact O-N 3.37Å; E63-I65 VanDerWaalsContact C-N 3.3Å; E63-I65 PolarHBondContact O-N 3.11Å; I65-L71 HydrophobicContact CG2-CD1 4.49Å; I65-L71 HydrophobicContact CG2-CD2 4.46Å; I65-I88 HydrophobicContact CG1-CD1 4.39Å; I65-F93 HydrophobicContact CD1-CE2 4.34Å; I65-F93 HydrophobicContact CD1-CZ 4.47Å; I65-F93 HydrophobicContact CG1-CE2 4.41Å; I65-F93 HydrophobicContact CG1-CZ 4.09Å; I65-L95 HydrophobicContact CD1-CD1 3.92Å; I65-L95 HydrophobicContact CD1-CD2 3.86Å; I65-L95 HydrophobicContact CD1-CG 4.43Å; I65-C186 HydrophobicContact CD1-CB 4.29Å |
| 66 | C | 95.8 | Very high | 89.1 | Confident | 12 Ų | 12 | 61.1 Ų | 61.1 | 8% | 0.081 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -100.5 | -9.2 | -163.8 | -61.4 | 0 | 0 | 0 | 0 | 115.5 | C49 Y52 C62 E63 | C49-C66 WeakPolarHBondContact CA-SG 3.33Å; C49-C66 HydrophobicContact CB-CB 3.57Å; C49-C66 WeakPolarHBondContact CB-SG 3.25Å; C49-C66 WeakPolarHBondContact SG-CA 3.28Å; C49-C66 WeakPolarHBondContact SG-CB 3.5Å; C49-C66 CovalentContact SG-SG 2.04Å; C49-C66 PolarHBondContact SG-SG 2.84Å; Y52-C66 HydrophobicContact CD1-CB 3.85Å; Y52-C66 HydrophobicContact CE1-CB 4.44Å; C62-C66 WeakPolarHBondContact O-CB 3.31Å; C62-C66 PolarHBondContact O-N 2.96Å; C62-C66 PolarHBondContact O-SG 3.3Å; C62-C66 VanDerWaalsContact O-SG 3.37Å; E63-C66 PolarHBondContact O-N 3.5Å |
| 67 | S | 90.5 | Very high | 87.2 | Confident | 61 Ų | 61 | 58.2 Ų | 58.2 | 43% | 0.427 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -114.8 | -9.3 | -179.9 | -55.9 | 0 | 0 | 0 | 0 | 113.7 | E63 | E63-S67 VanDerWaalsContact O-CB 3.29Å; E63-S67 WeakPolarHBondContact O-CB 3.43Å; E63-S67 PolarHBondContact O-N 3Å; E63-S67 VanDerWaalsContact O-N 3.07Å; E63-S67 WeakPolarHBondContact OE1-CB 3.41Å; E63-S67 PolarHBondContact OE1-OG 3.48Å; E63-S67 PolarHBondContact OE2-OG 3.29Å |
| 68 | Y | 80 | Confident | 85.4 | Confident | 116 Ų | 116 | 61.9 Ų | 61.9 | 46% | 0.455 | 32% | 0.324 | S | S | . | . | trans | -87.3 | 127.5 | -179 | -84.3 | -106.5 | 0 | 0 | 0 | 112.6 | K64 N70 I88 | K64-Y68 HydrophobicContact CB-CE2 4.48Å; K64-Y68 HydrophobicContact CG-CE2 4.36Å; K64-Y68 WeakPolarHBondContact O-CB 3.29Å; K64-Y68 WeakPolarHBondContact O-CD2 3.15Å; Y68-N70 PolarHBondContact O-N 2.83Å; Y68-I88 HydrophobicContact CD1-CG2 3.54Å; Y68-I88 HydrophobicContact CE1-CG2 4.14Å; Y68-I88 HydrophobicContact CG-CG2 3.78Å | ||
| 69 | E | 74.8 | Confident | 83.7 | Confident | 195 Ų | 195 | 65.7 Ų | 65.7 | 91% | 0.911 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -27.5 | -177.4 | -62.7 | -175.3 | 166.9 | 0 | 0 | 114 | L71 | E69-L71 VanDerWaalsContact C-N 3.33Å; E69-L71 PolarHBondContact O-N 2.89Å |
| 70 | N | 82.5 | Confident | 82.7 | Confident | 122 Ų | 122 | 70.6 Ų | 70.6 | 65% | 0.652 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | 23.1 | -175.7 | -71.9 | -36.6 | 0 | 0 | 0 | 114.1 | Y68 K72 | Y68-N70 PolarHBondContact O-N 2.83Å; N70-K72 PolarHBondContact O-N 3.24Å; N70-K72 VanDerWaalsContact O-N 3.16Å |
| 71 | L | 88.2 | Confident | 82.4 | Confident | 46 Ų | 46 | 69.3 Ų | 69.3 | 24% | 0.241 | 36% | 0.355 | C | S | . | . | trans | -63.2 | 114.4 | -180 | -177 | 73.3 | 0 | 0 | 0 | 111.1 | V45 I65 E69 V73 I86 I88 | V45-L71 HydrophobicContact CG1-CD2 3.9Å; I65-L71 HydrophobicContact CG2-CD1 4.49Å; I65-L71 HydrophobicContact CG2-CD2 4.46Å; E69-L71 VanDerWaalsContact C-N 3.33Å; E69-L71 PolarHBondContact O-N 2.89Å; L71-V73 HydrophobicContact CD2-CG2 3.95Å; L71-V73 HydrophobicContact CG-CG2 4Å; L71-I86 HydrophobicContact CD1-CD1 4.35Å; L71-I86 HydrophobicContact CD1-CG2 3.52Å; L71-I88 HydrophobicContact CD1-CD1 3.55Å; L71-I88 HydrophobicContact CD1-CG1 3.43Å; L71-I88 VanDerWaalsContact CD1-CG1 3.43Å | ||
| 72 | K | 90.4 | Very high | 82.2 | Confident | 105 Ų | 105 | 67.8 Ų | 67.8 | 46% | 0.457 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 117.4 | 171.3 | -64.7 | 175 | -173.6 | 169.8 | 0 | 110 | N70 F74 E87 | N70-K72 PolarHBondContact O-N 3.24Å; N70-K72 VanDerWaalsContact O-N 3.16Å; K72-F74 HydrophobicContact CB-CD2 4.37Å; K72-F74 HydrophobicContact CB-CE2 3.56Å; K72-F74 HydrophobicContact CB-CZ 4.06Å; K72-F74 HydrophobicContact CD-CE2 4.43Å; K72-F74 HydrophobicContact CD-CZ 4.35Å; K72-E87 HydrophobicContact CB-CB 4.12Å; K72-E87 HydrophobicContact CD-CG 4.4Å; K72-E87 WeakPolarHBondContact CD-OE2 3.45Å; K72-E87 PolarHBondContact N-O 2.93Å; K72-E87 PolarHBondContact O-N 3.36Å |
| 73 | V | 89.3 | Confident | 82.1 | Confident | 6 Ų | 6 | 69 Ų | 69 | 4% | 0.036 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 125.4 | 177.9 | -175.3 | 0 | 0 | 0 | 0 | 110 | R38 A41 M42 V45 L71 I84 I86 | R38-V73 PolarHBondContact NH1-O 2.98Å; R38-V73 VanDerWaalsContact NH1-O 3.16Å; A41-V73 HydrophobicContact CB-CG1 3.75Å; M42-V73 HydrophobicContact CE-CB 4.41Å; M42-V73 HydrophobicContact CG-CB 3.96Å; M42-V73 HydrophobicContact CG-CG1 4.18Å; M42-V73 HydrophobicContact CG-CG2 4.42Å; V45-V73 HydrophobicContact CG2-CG1 4.29Å; V45-V73 HydrophobicContact CG2-CG2 4.36Å; L71-V73 HydrophobicContact CD2-CG2 3.95Å; L71-V73 HydrophobicContact CG-CG2 4Å; V73-I84 HydrophobicContact CG1-CG2 3.61Å; V73-I86 HydrophobicContact CG1-CD1 4.39Å; V73-I86 HydrophobicContact CG2-CD1 4Å |
| 74 | F | 86.1 | Confident | 82.1 | Confident | 73 Ų | 73 | 64 Ų | 64 | 32% | 0.32 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 132.8 | 174.3 | -55.5 | -93 | 0 | 0 | 0 | 109 | K72 R85 E87 | K72-F74 HydrophobicContact CB-CD2 4.37Å; K72-F74 HydrophobicContact CB-CE2 3.56Å; K72-F74 HydrophobicContact CB-CZ 4.06Å; K72-F74 HydrophobicContact CD-CE2 4.43Å; K72-F74 HydrophobicContact CD-CZ 4.35Å; F74-R85 HydrophobicContact CB-CB 4.01Å; F74-R85 HydrophobicContact CB-CG 4.12Å; F74-R85 HydrophobicContact CD2-CG 4.1Å; F74-R85 PolarHBondContact N-O 2.9Å; F74-R85 PolarHBondContact O-N 3.31Å; F74-E87 HydrophobicContact CE2-CB 4.24Å |
| 75 | A | 73.3 | Confident | 82.1 | Confident | 22 Ų | 22 | 66 Ų | 66 | 18% | 0.182 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 134.5 | -175 | 0 | 0 | 0 | 0 | 0 | 112.3 | R37 A41 | R37-A75 HydrophobicContact CB-CB 3.72Å; R37-A75 WeakPolarHBondContact O-CB 3.39Å; A41-A75 HydrophobicContact CB-CB 3.53Å |
| 76 | H | 67.4 | Low | 82.1 | Confident | 123 Ų | 123 | 66 Ų | 66 | 57% | 0.569 | 34% | 0.338 | S | S | * | . | trans | -120.7 | 4.3 | 163.3 | -109 | -74.2 | 0 | 0 | 0 | 113 | V83 | H76-V83 CarbonylContact C-O 3.52Å; H76-V83 HydrophobicContact CB-CG1 4.4Å; H76-V83 PolarHBondContact N-O 2.89Å | ||
| 77 | S | 58.3 | Low | 82 | Confident | 26 Ų | 26 | 66.3 Ų | 66.3 | 18% | 0.182 | 34% | 0.339 | C | S | . | . | trans | -60.1 | 137.3 | -167.3 | 179.8 | 0 | 0 | 0 | 0 | 114 | K81 V83 | S77-K81 PolarHBondContact OG-O 2.04Å; S77-V83 PolarHBondContact N-O 2.81Å | ||
| 78 | T | 58 | Low | 82 | Confident | 80 Ų | 80 | 63.5 Ų | 63.5 | 49% | 0.491 | 32% | 0.319 | S | S | . | . | trans | -94.4 | 165.2 | 162.2 | 51.3 | 0 | 0 | 0 | 0 | 109.9 | N80 K81 | T78-N80 VanDerWaalsContact C-N 3.28Å; T78-N80 PolarHBondContact O-N 3.45Å; T78-K81 VanDerWaalsContact O-O 3.07Å; T78-K81 VanDerWaalsContact OG1-CG 3.23Å; T78-K81 WeakPolarHBondContact OG1-CG 3Å | ||
| 79 | S | 61 | Low | 82.3 | Confident | 98 Ų | 98 | 62 Ų | 62 | 69% | 0.685 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -48.2 | -34.7 | -166.1 | 52.7 | 0 | 0 | 0 | 0 | 117.1 | Q100 | S79-Q100 PolarHBondContact O-NE2 2.83Š|
| 80 | N | 72.3 | Confident | 82.7 | Confident | 126 Ų | 126 | 59.6 Ų | 59.6 | 67% | 0.674 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -116.7 | -29.3 | -172.3 | -62.9 | -16.9 | 0 | 0 | 0 | 114.9 | T78 | T78-N80 VanDerWaalsContact C-N 3.28Å; T78-N80 PolarHBondContact O-N 3.45Å |
| 81 | K | 87.4 | Confident | 83.2 | Confident | 59 Ų | 59 | 57.1 Ų | 57.1 | 26% | 0.257 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -101.2 | 139.3 | 177.8 | 65.8 | 179.1 | 177.5 | -167.8 | 0 | 112.5 | S77 T78 V83 S97 D253 | S77-K81 PolarHBondContact OG-O 2.04Å; T78-K81 VanDerWaalsContact O-O 3.07Å; T78-K81 VanDerWaalsContact OG1-CG 3.23Å; T78-K81 WeakPolarHBondContact OG1-CG 3Å; K81-V83 HydrophobicContact CD-CG2 4.48Å; K81-V83 HydrophobicContact CG-CG2 4.41Å; K81-S97 CarbonylContact C-O 3.52Å; K81-D253 IonicContact NZ-OD1 2.59Å; K81-D253 PolarHBondContact NZ-OD1 3.07Å; K81-D253 IonicContact NZ-OD2 2.97Å; K81-D253 PolarHBondContact NZ-OD2 2.84Å |
| 82 | A | 92.4 | Very high | 83.5 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 119.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | K96 S97 M189 | A82-K96 CarbonylContact O-C 3.6Å; A82-K96 VanDerWaalsContact O-CA 3.25Å; A82-K96 WeakPolarHBondContact O-CA 3.23Å; A82-S97 PolarHBondContact N-O 2.9Å; A82-S97 PolarHBondContact O-N 2.77Å; A82-M189 HydrophobicContact CB-CE 3.43Å; A82-M189 VanDerWaalsContact CB-CE 3.43Å; A82-M189 HydrophobicContact CB-SD 4.02Å |
| 83 | V | 93.3 | Very high | 83.7 | Confident | 24 Ų | 24 | 57.1 Ų | 57.1 | 15% | 0.145 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 104.7 | 168 | -176.3 | 0 | 0 | 0 | 0 | 107.1 | H76 S77 K81 L94 L95 K96 | H76-V83 CarbonylContact C-O 3.52Å; H76-V83 HydrophobicContact CB-CG1 4.4Å; H76-V83 PolarHBondContact N-O 2.89Å; S77-V83 PolarHBondContact N-O 2.81Å; K81-V83 HydrophobicContact CD-CG2 4.48Å; K81-V83 HydrophobicContact CG-CG2 4.41Å; V83-L94 HydrophobicContact CG1-CD1 4.46Å; V83-L95 CarbonylContact C-O 3.44Å; V83-L95 WeakPolarHBondContact CA-O 3.34Å; V83-K96 HydrophobicContact CG1-CG 4.43Å; V83-K96 HydrophobicContact CG2-CG 4.47Å |
| 84 | I | 94.2 | Very high | 84 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 121.8 | -169.5 | -58.8 | 175.1 | 0 | 0 | 0 | 108.4 | A41 I44 V45 V73 I86 L94 L95 | A41-I84 HydrophobicContact CB-CD1 4.22Å; A41-I84 HydrophobicContact CB-CG1 4.1Å; A41-I84 HydrophobicContact CB-CG2 4.1Å; I44-I84 HydrophobicContact CB-CD1 3.86Å; I44-I84 HydrophobicContact CD1-CD1 4.26Å; I44-I84 HydrophobicContact CG2-CD1 3.61Å; V45-I84 HydrophobicContact CG2-CD1 4.08Å; V45-I84 HydrophobicContact CG2-CG2 4.19Å; V73-I84 HydrophobicContact CG1-CG2 3.61Å; I84-I86 HydrophobicContact CG2-CD1 3.77Å; I84-I86 HydrophobicContact CG2-CG1 4.37Å; I84-L94 CarbonylContact O-C 3.6Å; I84-L94 WeakPolarHBondContact O-CA 3Å; I84-L95 HydrophobicContact CB-CB 4.35Å; I84-L95 PolarHBondContact N-O 3.33Å; I84-L95 PolarHBondContact O-N 2.77Å |
| 85 | R | 94.3 | Very high | 84.4 | Confident | 91 Ų | 91 | 55 Ų | 55 | 34% | 0.343 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 127.4 | 172.2 | 166 | -177.3 | -77.9 | 177.1 | -5.8 | 108.9 | F74 L94 I194 | F74-R85 HydrophobicContact CB-CB 4.01Å; F74-R85 HydrophobicContact CB-CG 4.12Å; F74-R85 HydrophobicContact CD2-CG 4.1Å; F74-R85 PolarHBondContact N-O 2.9Å; F74-R85 PolarHBondContact O-N 3.31Å; R85-L94 HydrophobicContact CB-CD2 3.85Å; R85-I194 HydrophobicContact CG-CD1 4.02Å |
| 86 | I | 94.3 | Very high | 85.5 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 138.9 | 176.5 | -60.4 | -60.3 | 0 | 0 | 0 | 109 | V45 L71 V73 I84 I88 R92 F93 L95 | V45-I86 HydrophobicContact CG2-CD1 4.17Å; L71-I86 HydrophobicContact CD1-CD1 4.35Å; L71-I86 HydrophobicContact CD1-CG2 3.52Å; V73-I86 HydrophobicContact CG1-CD1 4.39Å; V73-I86 HydrophobicContact CG2-CD1 4Å; I84-I86 HydrophobicContact CG2-CD1 3.77Å; I84-I86 HydrophobicContact CG2-CG1 4.37Å; I86-I88 HydrophobicContact CG2-CD1 3.64Å; I86-I88 HydrophobicContact CG2-CG1 3.7Å; I86-R92 WeakPolarHBondContact O-CA 3.37Å; I86-F93 HydrophobicContact CB-CD2 4.01Å; I86-F93 HydrophobicContact CB-CE1 4.24Å; I86-F93 HydrophobicContact CB-CE2 3.62Å; I86-F93 HydrophobicContact CB-CG 4.48Å; I86-F93 HydrophobicContact CB-CZ 3.75Å; I86-F93 HydrophobicContact CG1-CD2 4.44Å; I86-F93 HydrophobicContact CG1-CE2 3.92Å; I86-F93 HydrophobicContact CG1-CZ 4.38Å; I86-F93 HydrophobicContact CG2-CE1 3.83Å; I86-F93 HydrophobicContact CG2-CE2 3.78Å; I86-F93 HydrophobicContact CG2-CZ 3.37Å; I86-F93 PolarHBondContact N-O 2.84Å; I86-F93 PolarHBondContact O-N 2.92Å; I86-L95 HydrophobicContact CD1-CD1 4.01Å; I86-L95 HydrophobicContact CG1-CD1 3.58Å; I86-L95 HydrophobicContact CG1-CG 3.77Å |
| 87 | E | 93.5 | Very high | 86.9 | Confident | 19 Ų | 19 | 49.1 Ų | 49.1 | 9% | 0.089 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 123.8 | 168.9 | 173.3 | 176.6 | -140.1 | 0 | 0 | 109.5 | K72 F74 E91 R92 | K72-E87 HydrophobicContact CB-CB 4.12Å; K72-E87 HydrophobicContact CD-CG 4.4Å; K72-E87 WeakPolarHBondContact CD-OE2 3.45Å; K72-E87 PolarHBondContact N-O 2.93Å; K72-E87 PolarHBondContact O-N 3.36Å; F74-E87 HydrophobicContact CE2-CB 4.24Å; E87-E91 CarbonylContact C-O 3.57Å; E87-E91 VanDerWaalsContact CA-O 3.25Å; E87-E91 WeakPolarHBondContact CA-O 3.25Å; E87-R92 HydrophobicContact CB-CG 4.08Å; E87-R92 HydrophobicContact CG-CG 3.94Å; E87-R92 IonicContact OE1-CZ 3.04Å; E87-R92 VanDerWaalsContact OE1-CZ 3.29Å; E87-R92 IonicContact OE1-NE 2.71Å; E87-R92 PolarHBondContact OE1-NE 3.06Å; E87-R92 IonicContact OE1-NH2 3.64Å; E87-R92 PolarHBondContact OE1-NH2 2.82Å |
| 88 | I | 90.9 | Very high | 88.7 | Confident | 3 Ų | 3 | 50.1 Ų | 50.1 | 2% | 0.015 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 121 | -178.6 | -57.6 | 165.2 | 0 | 0 | 0 | 107.7 | K64 I65 Y68 L71 I86 D90 E91 F93 | K64-I88 HydrophobicContact CD-CD1 4.39Å; K64-I88 HydrophobicContact CG-CD1 3.94Å; K64-I88 WeakPolarHBondContact O-CD1 3.38Å; I65-I88 HydrophobicContact CG1-CD1 4.39Å; Y68-I88 HydrophobicContact CD1-CG2 3.54Å; Y68-I88 HydrophobicContact CE1-CG2 4.14Å; Y68-I88 HydrophobicContact CG-CG2 3.78Å; L71-I88 HydrophobicContact CD1-CD1 3.55Å; L71-I88 HydrophobicContact CD1-CG1 3.43Å; L71-I88 VanDerWaalsContact CD1-CG1 3.43Å; I86-I88 HydrophobicContact CG2-CD1 3.64Å; I86-I88 HydrophobicContact CG2-CG1 3.7Å; I88-D90 VanDerWaalsContact C-N 3.27Å; I88-D90 PolarHBondContact O-N 3.03Å; I88-E91 PolarHBondContact N-O 2.79Å; I88-E91 WeakPolarHBondContact O-CA 3.09Å; I88-E91 VanDerWaalsContact O-CB 3.31Å; I88-E91 WeakPolarHBondContact O-CB 3.29Å; I88-E91 PolarHBondContact O-N 3.49Å; I88-F93 HydrophobicContact CD1-CE1 4.11Å; I88-F93 HydrophobicContact CD1-CZ 3.97Å |
| 89 | S | 86 | Confident | 90.4 | Very high | 83 Ų | 83 | 50 Ų | 50 | 58% | 0.58 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.3 | 49.4 | 176.6 | -56.8 | 0 | 0 | 0 | 0 | 113.3 | E91 | S89-E91 PolarHBondContact O-N 3.29Å; S89-E91 VanDerWaalsContact O-N 3.09Å |
| 90 | D | 84.5 | Confident | 91.9 | Very high | 145 Ų | 145 | 47.2 Ų | 47.2 | 78% | 0.775 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.2 | -6 | -176.5 | -55 | -49.8 | 0 | 0 | 0 | 116.9 | I88 | I88-D90 VanDerWaalsContact C-N 3.27Å; I88-D90 PolarHBondContact O-N 3.03Å |
| 91 | E | 91.8 | Very high | 93 | Very high | 70 Ų | 70 | 44.6 Ų | 44.6 | 33% | 0.327 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 133 | 169.3 | -168.2 | -175.9 | 159.2 | 0 | 0 | 110.1 | K64 E87 I88 S89 F93 | K64-E91 IonicContact NZ-OE1 2.65Å; K64-E91 PolarHBondContact NZ-OE1 2.96Å; K64-E91 IonicContact NZ-OE2 2.72Å; K64-E91 PolarHBondContact NZ-OE2 2.97Å; E87-E91 CarbonylContact C-O 3.57Å; E87-E91 VanDerWaalsContact CA-O 3.25Å; E87-E91 WeakPolarHBondContact CA-O 3.25Å; I88-E91 PolarHBondContact N-O 2.79Å; I88-E91 WeakPolarHBondContact O-CA 3.09Å; I88-E91 VanDerWaalsContact O-CB 3.31Å; I88-E91 WeakPolarHBondContact O-CB 3.29Å; I88-E91 PolarHBondContact O-N 3.49Å; S89-E91 PolarHBondContact O-N 3.29Å; S89-E91 VanDerWaalsContact O-N 3.09Å; E91-F93 HydrophobicContact CG-CD1 4.27Å |
| 92 | R | 94.1 | Very high | 93.5 | Very high | 151 Ų | 151 | 42 Ų | 42 | 57% | 0.57 | 21% | 0.209 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 128.2 | -179.9 | -54.3 | 178.2 | 175.3 | 150.3 | 3.7 | 111.6 | I86 E87 I194 | I86-R92 WeakPolarHBondContact O-CA 3.37Å; E87-R92 HydrophobicContact CB-CG 4.08Å; E87-R92 HydrophobicContact CG-CG 3.94Å; E87-R92 IonicContact OE1-CZ 3.04Å; E87-R92 VanDerWaalsContact OE1-CZ 3.29Å; E87-R92 IonicContact OE1-NE 2.71Å; E87-R92 PolarHBondContact OE1-NE 3.06Å; E87-R92 IonicContact OE1-NH2 3.64Å; E87-R92 PolarHBondContact OE1-NH2 2.82Å; R92-I194 HydrophobicContact CB-CD1 3.57Å |
| 93 | F | 95.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 167.1 | 179.9 | 56.4 | -91.1 | 0 | 0 | 0 | 111.5 | Y61 K64 I65 I86 I88 E91 L95 I183 A191 V192 | Y61-F93 HydrophobicContact CD1-CE1 4.48Å; Y61-F93 HydrophobicContact CD1-CE2 4.19Å; Y61-F93 HydrophobicContact CD1-CZ 4.06Å; Y61-F93 HydrophobicContact CE1-CE1 4.34Å; Y61-F93 HydrophobicContact CE1-CZ 4.35Å; K64-F93 HydrophobicContact CD-CE1 4.4Å; I65-F93 HydrophobicContact CD1-CE2 4.34Å; I65-F93 HydrophobicContact CD1-CZ 4.47Å; I65-F93 HydrophobicContact CG1-CE2 4.41Å; I65-F93 HydrophobicContact CG1-CZ 4.09Å; I86-F93 HydrophobicContact CB-CD2 4.01Å; I86-F93 HydrophobicContact CB-CE1 4.24Å; I86-F93 HydrophobicContact CB-CE2 3.62Å; I86-F93 HydrophobicContact CB-CG 4.48Å; I86-F93 HydrophobicContact CB-CZ 3.75Å; I86-F93 HydrophobicContact CG1-CD2 4.44Å; I86-F93 HydrophobicContact CG1-CE2 3.92Å; I86-F93 HydrophobicContact CG1-CZ 4.38Å; I86-F93 HydrophobicContact CG2-CE1 3.83Å; I86-F93 HydrophobicContact CG2-CE2 3.78Å; I86-F93 HydrophobicContact CG2-CZ 3.37Å; I86-F93 PolarHBondContact N-O 2.84Å; I86-F93 PolarHBondContact O-N 2.92Å; I88-F93 HydrophobicContact CD1-CE1 4.11Å; I88-F93 HydrophobicContact CD1-CZ 3.97Å; E91-F93 HydrophobicContact CG-CD1 4.27Å; F93-L95 HydrophobicContact CD2-CD2 4.26Å; F93-L95 HydrophobicContact CD2-CG 4.3Å; F93-L95 HydrophobicContact CE2-CD2 3.86Å; F93-L95 HydrophobicContact CE2-CG 3.93Å; F93-I183 HydrophobicContact CB-CD1 3.92Å; F93-I183 HydrophobicContact CG-CD1 4.44Å; F93-A191 HydrophobicContact CD2-CB 3.71Å; F93-A191 HydrophobicContact CE2-CB 4.11Å; F93-A191 HydrophobicContact CG-CB 4.41Å; F93-V192 WeakPolarHBondContact CA-O 3.43Å; F93-V192 WeakPolarHBondContact CB-O 3.43Å |
| 94 | L | 95 | Very high | 93.8 | Very high | 33 Ų | 33 | 49.4 Ų | 49.4 | 17% | 0.173 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 129.5 | 170.8 | -60.7 | 176.8 | 0 | 0 | 0 | 109 | V83 I84 R85 K96 A191 V192 I194 | V83-L94 HydrophobicContact CG1-CD1 4.46Å; I84-L94 CarbonylContact O-C 3.6Å; I84-L94 WeakPolarHBondContact O-CA 3Å; R85-L94 HydrophobicContact CB-CD2 3.85Å; L94-K96 HydrophobicContact CB-CG 4.39Å; L94-A191 CarbonylContact O-C 3.51Å; L94-A191 VanDerWaalsContact O-CA 3.25Å; L94-A191 WeakPolarHBondContact O-CA 3.37Å; L94-V192 HydrophobicContact CB-CG2 3.89Å; L94-V192 PolarHBondContact N-O 3.15Å; L94-V192 PolarHBondContact O-N 3.36Å; L94-I194 HydrophobicContact CD2-CG1 3.98Å; L94-I194 HydrophobicContact CG-CG1 3.83Å |
| 95 | L | 95.8 | Very high | 93.9 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 127.5 | 159.3 | -69.2 | 176.9 | 0 | 0 | 0 | 109 | I65 V83 I84 I86 F93 M189 Y190 A191 | I65-L95 HydrophobicContact CD1-CD1 3.92Å; I65-L95 HydrophobicContact CD1-CD2 3.86Å; I65-L95 HydrophobicContact CD1-CG 4.43Å; V83-L95 CarbonylContact C-O 3.44Å; V83-L95 WeakPolarHBondContact CA-O 3.34Å; I84-L95 HydrophobicContact CB-CB 4.35Å; I84-L95 PolarHBondContact N-O 3.33Å; I84-L95 PolarHBondContact O-N 2.77Å; I86-L95 HydrophobicContact CD1-CD1 4.01Å; I86-L95 HydrophobicContact CG1-CD1 3.58Å; I86-L95 HydrophobicContact CG1-CG 3.77Å; F93-L95 HydrophobicContact CD2-CD2 4.26Å; F93-L95 HydrophobicContact CD2-CG 4.3Å; F93-L95 HydrophobicContact CE2-CD2 3.86Å; F93-L95 HydrophobicContact CE2-CG 3.93Å; L95-M189 HydrophobicContact CB-SD 4.4Å; L95-M189 HydrophobicContact CD2-CB 4.44Å; L95-Y190 CarbonylContact C-O 3.58Å; L95-Y190 WeakPolarHBondContact CA-O 3.26Å; L95-A191 HydrophobicContact CD2-CB 4Å |
| 96 | K | 96 | Very high | 94 | Very high | 18 Ų | 18 | 51.3 Ų | 51.3 | 8% | 0.078 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 144.9 | 179.3 | -63.1 | -171.8 | 73.2 | -173.9 | 0 | 110.9 | A82 V83 L94 E166 M189 Y190 V192 L252 | A82-K96 CarbonylContact O-C 3.6Å; A82-K96 VanDerWaalsContact O-CA 3.25Å; A82-K96 WeakPolarHBondContact O-CA 3.23Å; V83-K96 HydrophobicContact CG1-CG 4.43Å; V83-K96 HydrophobicContact CG2-CG 4.47Å; L94-K96 HydrophobicContact CB-CG 4.39Å; K96-E166 WeakPolarHBondContact CE-OE1 3.46Å; K96-E166 IonicContact NZ-OE1 2.68Å; K96-E166 PolarHBondContact NZ-OE1 2.89Å; K96-E166 IonicContact NZ-OE2 2.8Å; K96-E166 PolarHBondContact NZ-OE2 3.04Å; K96-M189 WeakPolarHBondContact O-CA 3.39Å; K96-Y190 HydrophobicContact CB-CD2 4.3Å; K96-Y190 HydrophobicContact CB-CE1 3.93Å; K96-Y190 HydrophobicContact CB-CE2 3.7Å; K96-Y190 VanDerWaalsContact CB-CZ 3.47Å; K96-Y190 HydrophobicContact CD-CE2 4.25Å; K96-Y190 HydrophobicContact CG-CE2 4.45Å; K96-Y190 PolarHBondContact N-O 3.11Å; K96-Y190 VanDerWaalsContact O-CD1 3.23Å; K96-Y190 WeakPolarHBondContact O-CD1 3.46Å; K96-Y190 VanDerWaalsContact O-CE1 3.29Å; K96-Y190 WeakPolarHBondContact O-CE1 3.47Å; K96-Y190 PolarHBondContact O-N 3.44Å; K96-Y190 VanDerWaalsContact O-N 3.07Å; K96-V192 HydrophobicContact CD-CG2 3.95Å; K96-V192 HydrophobicContact CG-CG2 4.35Å; K96-L252 PolarHBondContact NZ-O 2.83Å |
| 97 | S | 96.4 | Very high | 93.9 | Very high | 4 Ų | 4 | 54.3 Ų | 54.3 | 3% | 0.028 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.4 | 147.8 | 163 | -175.1 | 0 | 0 | 0 | 0 | 112.1 | K81 A82 K99 Q164 H188 M189 | K81-S97 CarbonylContact C-O 3.52Å; A82-S97 PolarHBondContact N-O 2.9Å; A82-S97 PolarHBondContact O-N 2.77Å; S97-K99 VanDerWaalsContact CB-O 3.29Å; S97-K99 WeakPolarHBondContact CB-O 2.97Å; S97-K99 PolarHBondContact O-N 3Å; S97-K99 PolarHBondContact OG-N 2.91Å; S97-K99 PolarHBondContact OG-O 3.29Å; S97-K99 VanDerWaalsContact OG-O 3.11Å; S97-Q164 PolarHBondContact OG-OE1 3.35Å; S97-H188 PolarHBondContact OG-CD2 3.2Å; S97-H188 VanDerWaalsContact OG-CD2 3.29Å; S97-H188 PolarHBondContact OG-O 2.82Å; S97-M189 VanDerWaalsContact CB-SD 3.59Å |
| 98 | A | 95.2 | Very high | 94 | Very high | 48 Ų | 48 | 53.8 Ų | 53.8 | 40% | 0.397 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -65.3 | -23.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q164 | A98-Q164 HydrophobicContact CB-CB 4.37Å; A98-Q164 HydrophobicContact CB-CG 3.89Å |
| 99 | K | 94.8 | Very high | 94.2 | Very high | 78 Ų | 78 | 55.8 Ų | 55.8 | 34% | 0.339 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -125.4 | 153.2 | 174.8 | -55.6 | 176 | 174.2 | 174.3 | 0 | 109.9 | S97 Q104 F105 H188 | S97-K99 VanDerWaalsContact CB-O 3.29Å; S97-K99 WeakPolarHBondContact CB-O 2.97Å; S97-K99 PolarHBondContact O-N 3Å; S97-K99 PolarHBondContact OG-N 2.91Å; S97-K99 PolarHBondContact OG-O 3.29Å; S97-K99 VanDerWaalsContact OG-O 3.11Å; K99-Q104 HydrophobicContact CB-CB 4.09Å; K99-Q104 HydrophobicContact CD-CB 3.7Å; K99-Q104 WeakPolarHBondContact CD-O 3.25Å; K99-Q104 HydrophobicContact CG-CB 4.42Å; K99-Q104 PolarHBondContact NZ-O 3.38Å; K99-F105 HydrophobicContact CB-CD2 4.35Å; K99-F105 HydrophobicContact CB-CE2 3.57Å; K99-F105 HydrophobicContact CB-CZ 3.75Å; K99-F105 HydrophobicContact CD-CD1 4.08Å; K99-F105 HydrophobicContact CD-CD2 4.07Å; K99-F105 HydrophobicContact CD-CE1 3.91Å; K99-F105 HydrophobicContact CD-CE2 3.89Å; K99-F105 HydrophobicContact CD-CG 4.17Å; K99-F105 HydrophobicContact CD-CZ 3.81Å; K99-F105 HydrophobicContact CG-CE1 4.24Å; K99-F105 HydrophobicContact CG-CE2 4Å; K99-F105 HydrophobicContact CG-CZ 3.77Å; K99-H188 PolarHBondContact O-CD2 2.86Å |
| 100 | Q | 93.2 | Very high | 94.6 | Very high | 39 Ų | 39 | 58.8 Ų | 58.8 | 18% | 0.182 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -73.4 | -42.9 | -175.6 | -68.9 | 178 | -21.7 | 0 | 0 | 111.9 | I44 S79 H188 M189 | I44-Q100 HydrophobicContact CD1-CB 3.97Å; I44-Q100 HydrophobicContact CD1-CG 3.93Å; I44-Q100 HydrophobicContact CG1-CB 4.21Å; I44-Q100 VanDerWaalsContact CG2-O 3.31Å; I44-Q100 WeakPolarHBondContact CG2-O 3.49Å; S79-Q100 PolarHBondContact O-NE2 2.83Å; Q100-H188 PolarHBondContact O-NE2 3.35Å; Q100-M189 WeakPolarHBondContact O-CE 3.46Å |
| 101 | F | 95.2 | Very high | 95.2 | Very high | 70 Ų | 70 | 60.9 Ų | 60.9 | 31% | 0.307 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -117.5 | 146.9 | -172.6 | -52.4 | -76.2 | 0 | 0 | 0 | 112.2 | I44 A47 D103 Q104 | I44-F101 HydrophobicContact CG1-CE1 3.96Å; I44-F101 HydrophobicContact CG1-CZ 4.16Å; A47-F101 HydrophobicContact CB-CD1 4Å; A47-F101 HydrophobicContact CB-CE1 4.2Å; F101-D103 VanDerWaalsContact C-N 3.3Å; F101-D103 PolarHBondContact O-N 3.21Å; F101-Q104 HydrophobicContact CB-CG 4.11Å; F101-Q104 WeakPolarHBondContact O-CB 3.33Å; F101-Q104 PolarHBondContact O-N 2.92Å; F101-Q104 VanDerWaalsContact O-N 3.11Å |
| 102 | F | 97 | Very high | 95.3 | Very high | 6 Ų | 6 | 59 Ų | 59 | 3% | 0.026 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -58.3 | -42.4 | -178.3 | -174.9 | -116.6 | 0 | 0 | 0 | 112.1 | L57 Q104 F105 M107 R156 A160 H188 | L57-F102 HydrophobicContact CB-CD1 4.35Å; L57-F102 HydrophobicContact CB-CE1 3.89Å; L57-F102 HydrophobicContact CB-CE2 4.1Å; L57-F102 HydrophobicContact CB-CZ 3.74Å; L57-F102 HydrophobicContact CD2-CB 4.17Å; L57-F102 HydrophobicContact CD2-CD1 3.97Å; L57-F102 HydrophobicContact CD2-CD2 4.09Å; L57-F102 HydrophobicContact CD2-CE1 4.36Å; L57-F102 HydrophobicContact CD2-CE2 4.49Å; L57-F102 HydrophobicContact CD2-CG 3.82Å; F102-Q104 PolarHBondContact O-N 2.98Å; F102-Q104 VanDerWaalsContact O-N 3.11Å; F102-F105 PolarHBondContact O-N 2.96Å; F102-F105 VanDerWaalsContact O-N 3.07Å; F102-M107 HydrophobicContact CD1-CE 3.42Å; F102-M107 VanDerWaalsContact CD1-CE 3.42Å; F102-M107 HydrophobicContact CD1-SD 4.34Å; F102-M107 HydrophobicContact CE1-CE 3.45Å; F102-M107 VanDerWaalsContact CE1-CE 3.45Å; F102-M107 HydrophobicContact CE1-SD 3.75Å; F102-M107 HydrophobicContact CG-CE 4.03Å; F102-M107 HydrophobicContact CZ-CE 4.08Å; F102-M107 HydrophobicContact CZ-SD 4.11Å; F102-M107 WeakPolarHBondContact O-CE 3.43Å; F102-R156 HydrophobicContact CE1-CB 4.48Å; F102-R156 HydrophobicContact CZ-CB 3.83Å; F102-A160 HydrophobicContact CD2-CB 4.27Å; F102-A160 HydrophobicContact CE2-CB 3.85Å; F102-H188 WeakPolarHBondContact CA-ND1 3.24Å; F102-H188 WeakPolarHBondContact CB-ND1 3.44Å; F102-H188 HydrophobicContact CD2-CB 3.91Å; F102-H188 AromaticContact CD2-ND1 3.58Å; F102-H188 PolarHBondContact N-CE1 3.45Å; F102-H188 PolarHBondContact N-NE2 3.28Å |
| 103 | D | 95.8 | Very high | 95.2 | Very high | 87 Ų | 87 | 54.7 Ų | 54.7 | 47% | 0.465 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -69.8 | -6.8 | -178.3 | -57.5 | -2.9 | 0 | 0 | 0 | 113.9 | R51 F101 | R51-D103 IonicContact CZ-OD1 2.85Å; R51-D103 IonicContact CZ-OD2 3.29Å; R51-D103 IonicContact NH1-OD1 3.99Å; R51-D103 PolarHBondContact NH1-OD1 3.03Å; R51-D103 IonicContact NH1-OD2 3.35Å; R51-D103 PolarHBondContact NH1-OD2 3.19Å; R51-D103 IonicContact NH2-OD2 2.82Å; F101-D103 VanDerWaalsContact C-N 3.3Å; F101-D103 PolarHBondContact O-N 3.21Å |
| 104 | Q | 96 | Very high | 94.9 | Very high | 92 Ų | 92 | 56.9 Ų | 56.9 | 43% | 0.43 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -80 | -10.3 | 172.6 | -59.4 | 178.2 | -72.1 | 0 | 0 | 112 | K99 F101 F102 | K99-Q104 HydrophobicContact CB-CB 4.09Å; K99-Q104 HydrophobicContact CD-CB 3.7Å; K99-Q104 WeakPolarHBondContact CD-O 3.25Å; K99-Q104 HydrophobicContact CG-CB 4.42Å; K99-Q104 PolarHBondContact NZ-O 3.38Å; F101-Q104 HydrophobicContact CB-CG 4.11Å; F101-Q104 WeakPolarHBondContact O-CB 3.33Å; F101-Q104 PolarHBondContact O-N 2.92Å; F101-Q104 VanDerWaalsContact O-N 3.11Å; F102-Q104 PolarHBondContact O-N 2.98Å; F102-Q104 VanDerWaalsContact O-N 3.11Å |
| 105 | F | 96.6 | Very high | 94.6 | Very high | 8 Ų | 8 | 59.4 Ų | 59.4 | 4% | 0.035 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -89.7 | 149.7 | 171.4 | -67.7 | -89.2 | 0 | 0 | 0 | 110.9 | K99 F102 M107 A160 Q164 H188 | K99-F105 HydrophobicContact CB-CD2 4.35Å; K99-F105 HydrophobicContact CB-CE2 3.57Å; K99-F105 HydrophobicContact CB-CZ 3.75Å; K99-F105 HydrophobicContact CD-CD1 4.08Å; K99-F105 HydrophobicContact CD-CD2 4.07Å; K99-F105 HydrophobicContact CD-CE1 3.91Å; K99-F105 HydrophobicContact CD-CE2 3.89Å; K99-F105 HydrophobicContact CD-CG 4.17Å; K99-F105 HydrophobicContact CD-CZ 3.81Å; K99-F105 HydrophobicContact CG-CE1 4.24Å; K99-F105 HydrophobicContact CG-CE2 4Å; K99-F105 HydrophobicContact CG-CZ 3.77Å; F102-F105 PolarHBondContact O-N 2.96Å; F102-F105 VanDerWaalsContact O-N 3.07Å; F105-M107 PolarHBondContact O-N 3.18Å; F105-A160 HydrophobicContact CB-CB 3.86Å; F105-A160 HydrophobicContact CD1-CB 4.12Å; F105-A160 HydrophobicContact CD2-CB 4.07Å; F105-A160 WeakPolarHBondContact CE1-O 3.41Å; F105-A160 HydrophobicContact CG-CB 3.75Å; F105-Q164 HydrophobicContact CE1-CG 3.61Å; F105-Q164 HydrophobicContact CZ-CG 3.79Å; F105-H188 HydrophobicContact CD2-CB 3.74Å; F105-H188 HydrophobicContact CE2-CB 3.43Å; F105-H188 VanDerWaalsContact CE2-CB 3.43Å; F105-H188 AromaticContact CE2-CD2 3.59Å; F105-H188 AromaticContact CE2-CG 3.79Å; F105-H188 HydrophobicContact CZ-CB 4.14Å |
| 106 | D | 96 | Very high | 94.4 | Very high | 123 Ų | 123 | 61.1 Ų | 61.1 | 66% | 0.658 | 32% | 0.321 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 135.3 | 171.8 | -62.9 | -42 | 0 | 0 | 0 | 109.7 | W159 | D106-W159 PolarHBondContact O-NE1 3.05Š|
| 107 | M | 93.7 | Very high | 94.2 | Very high | 63 Ų | 63 | 60.2 Ų | 60.2 | 31% | 0.31 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -97.7 | 129.3 | -175.5 | -68.7 | -66.2 | 166.3 | 0 | 0 | 110.3 | F102 F105 P109 R156 | F102-M107 HydrophobicContact CD1-CE 3.42Å; F102-M107 VanDerWaalsContact CD1-CE 3.42Å; F102-M107 HydrophobicContact CD1-SD 4.34Å; F102-M107 HydrophobicContact CE1-CE 3.45Å; F102-M107 VanDerWaalsContact CE1-CE 3.45Å; F102-M107 HydrophobicContact CE1-SD 3.75Å; F102-M107 HydrophobicContact CG-CE 4.03Å; F102-M107 HydrophobicContact CZ-CE 4.08Å; F102-M107 HydrophobicContact CZ-SD 4.11Å; F102-M107 WeakPolarHBondContact O-CE 3.43Å; F105-M107 PolarHBondContact O-N 3.18Å; M107-P109 WeakPolarHBondContact O-CD 3.39Å; M107-R156 HydrophobicContact SD-CB 4.31Å; M107-R156 HydrophobicContact SD-CG 4.25Å |
| 108 | V | 94.1 | Very high | 93.7 | Very high | 7 Ų | 7 | 62.3 Ų | 62.3 | 4% | 0.042 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 120.4 | 168.1 | -176.6 | 0 | 0 | 0 | 0 | 108.7 | I112 F117 R156 W159 | V108-I112 HydrophobicContact CG1-CB 4.12Å; V108-I112 HydrophobicContact CG1-CG1 4.36Å; V108-I112 HydrophobicContact CG1-CG2 4.3Å; V108-F117 HydrophobicContact CG1-CD2 3.99Å; V108-F117 HydrophobicContact CG2-CD2 3.94Å; V108-F117 HydrophobicContact CG2-CE2 3.7Å; V108-R156 HydrophobicContact CB-CG 4.02Å; V108-R156 PolarHBondContact O-NE 3.18Å; V108-R156 PolarHBondContact O-NH2 3.23Å; V108-W159 HydrophobicContact CG2-CB 3.5Å; V108-W159 VanDerWaalsContact CG2-CB 3.5Å; V108-W159 HydrophobicContact CG2-CD2 4.03Å; V108-W159 HydrophobicContact CG2-CE3 4.42Å; V108-W159 HydrophobicContact CG2-CG 3.62Å |
| 109 | P | 95.8 | Very high | 93.4 | Very high | 45 Ų | 45 | 64.8 Ų | 64.8 | 29% | 0.292 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 151.1 | 176.4 | -21.6 | 34.8 | 0 | 0 | 0 | 111.9 | M107 Y111 I112 | M107-P109 WeakPolarHBondContact O-CD 3.39Å; P109-Y111 VanDerWaalsContact C-N 3.28Å; P109-Y111 HydrophobicContact CB-CD1 3.52Å; P109-Y111 HydrophobicContact CB-CE1 3.1Å; P109-Y111 HydrophobicContact CB-CE2 4.26Å; P109-Y111 HydrophobicContact CB-CG 4.25Å; P109-Y111 HydrophobicContact CG-CE1 3.77Å; P109-Y111 PolarHBondContact O-N 3.42Å; P109-I112 HydrophobicContact CB-CG1 4.3Å; P109-I112 HydrophobicContact CG-CG1 4.38Å; P109-I112 WeakPolarHBondContact O-CB 3.34Å; P109-I112 PolarHBondContact O-N 2.59Å |
| 110 | E | 95.3 | Very high | 93.1 | Very high | 146 Ų | 146 | 64.6 Ų | 64.6 | 68% | 0.682 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -33.9 | -176.8 | -176.4 | 166.9 | -167.7 | 0 | 0 | 113.4 | I112 L152 | E110-I112 PolarHBondContact O-N 2.97Å; E110-L152 HydrophobicContact CB-CD1 4.45Å; E110-L152 HydrophobicContact CB-CD2 3.9Å; E110-L152 HydrophobicContact CG-CD2 3.99Å |
| 111 | Y | 95.8 | Very high | 92.9 | Very high | 189 Ų | 189 | 62.7 Ų | 62.7 | 74% | 0.741 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -15.6 | -179 | 65 | -103.1 | 0 | 0 | 0 | 114 | P109 S113 | P109-Y111 VanDerWaalsContact C-N 3.28Å; P109-Y111 HydrophobicContact CB-CD1 3.52Å; P109-Y111 HydrophobicContact CB-CE1 3.1Å; P109-Y111 HydrophobicContact CB-CE2 4.26Å; P109-Y111 HydrophobicContact CB-CG 4.25Å; P109-Y111 HydrophobicContact CG-CE1 3.77Å; P109-Y111 PolarHBondContact O-N 3.42Å; Y111-S113 PolarHBondContact O-N 3.03Å |
| 112 | I | 94.1 | Very high | 92.6 | Very high | 30 Ų | 30 | 61.1 Ų | 61.1 | 15% | 0.154 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -66.3 | 129.8 | 174.2 | -61.8 | -62.2 | 0 | 0 | 0 | 107.3 | V108 P109 E110 A116 F117 L120 R155 | V108-I112 HydrophobicContact CG1-CB 4.12Å; V108-I112 HydrophobicContact CG1-CG1 4.36Å; V108-I112 HydrophobicContact CG1-CG2 4.3Å; P109-I112 HydrophobicContact CB-CG1 4.3Å; P109-I112 HydrophobicContact CG-CG1 4.38Å; P109-I112 WeakPolarHBondContact O-CB 3.34Å; P109-I112 PolarHBondContact O-N 2.59Å; E110-I112 PolarHBondContact O-N 2.97Å; I112-A116 HydrophobicContact CG2-CB 3.94Å; I112-F117 HydrophobicContact CG2-CB 3.96Å; I112-L120 HydrophobicContact CD1-CD1 4.45Å; I112-L120 HydrophobicContact CG2-CD1 4.16Å; I112-R155 VanDerWaalsContact O-CZ 3.25Å; I112-R155 PolarHBondContact O-NH1 3.19Å; I112-R155 PolarHBondContact O-NH2 3.19Å |
| 113 | S | 92.1 | Very high | 92.2 | Very high | 62 Ų | 62 | 65 Ų | 65 | 43% | 0.434 | 34% | 0.344 | S | S | . | . | trans | -77.5 | 164.1 | 175.5 | 68.9 | 0 | 0 | 0 | 0 | 111.3 | Y111 A116 F117 R155 | Y111-S113 PolarHBondContact O-N 3.03Å; S113-A116 PolarHBondContact O-N 2.88Å; S113-A116 VanDerWaalsContact OG-CB 3.3Å; S113-A116 WeakPolarHBondContact OG-CB 3.47Å; S113-A116 PolarHBondContact OG-N 3.25Å; S113-F117 WeakPolarHBondContact O-CB 3.34Å; S113-F117 PolarHBondContact O-N 2.94Å; S113-R155 PolarHBondContact O-NH1 3.05Å; S113-R155 VanDerWaalsContact O-NH1 3.07Å | ||
| 114 | V | 88.9 | Confident | 91.8 | Very high | 46 Ų | 46 | 63.5 Ų | 63.5 | 28% | 0.279 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.5 | -46.5 | 176.3 | 177.4 | 0 | 0 | 0 | 0 | 111.5 | A116 F117 D118 | V114-A116 PolarHBondContact O-N 3.42Å; V114-F117 WeakPolarHBondContact O-CB 3.41Å; V114-F117 PolarHBondContact O-N 3Å; V114-F117 VanDerWaalsContact O-N 3.16Å; V114-D118 PolarHBondContact O-N 3.46Å |
| 115 | P | 88.5 | Confident | 91.4 | Very high | 86 Ų | 86 | 59.3 Ų | 59.3 | 56% | 0.558 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -62.5 | -38 | 176.2 | -24.3 | 35.1 | 0 | 0 | 0 | 114 | F117 D118 N119 | P115-F117 VanDerWaalsContact C-N 3.32Å; P115-D118 PolarHBondContact O-N 3Å; P115-N119 PolarHBondContact O-N 3.13Å; P115-N119 VanDerWaalsContact O-N 3.17Å |
| 116 | A | 91.8 | Very high | 91 | Very high | 36 Ų | 36 | 64.4 Ų | 64.4 | 30% | 0.298 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66.6 | -37.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | I112 S113 V114 N119 L120 | I112-A116 HydrophobicContact CG2-CB 3.94Å; S113-A116 PolarHBondContact O-N 2.88Å; S113-A116 VanDerWaalsContact OG-CB 3.3Å; S113-A116 WeakPolarHBondContact OG-CB 3.47Å; S113-A116 PolarHBondContact OG-N 3.25Å; V114-A116 PolarHBondContact O-N 3.42Å; A116-N119 PolarHBondContact O-N 3.42Å; A116-L120 WeakPolarHBondContact O-CG 3.44Å; A116-L120 PolarHBondContact O-N 3.11Å |
| 117 | F | 91 | Very high | 90.6 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.9 | -43.3 | 173.7 | 173.3 | -105.8 | 0 | 0 | 0 | 112.1 | V108 I112 S113 V114 P115 N119 L120 L121 L150 R155 I158 W159 | V108-F117 HydrophobicContact CG1-CD2 3.99Å; V108-F117 HydrophobicContact CG2-CD2 3.94Å; V108-F117 HydrophobicContact CG2-CE2 3.7Å; I112-F117 HydrophobicContact CG2-CB 3.96Å; S113-F117 WeakPolarHBondContact O-CB 3.34Å; S113-F117 PolarHBondContact O-N 2.94Å; V114-F117 WeakPolarHBondContact O-CB 3.41Å; V114-F117 PolarHBondContact O-N 3Å; V114-F117 VanDerWaalsContact O-N 3.16Å; P115-F117 VanDerWaalsContact C-N 3.32Å; F117-N119 VanDerWaalsContact C-N 3.29Å; F117-N119 PolarHBondContact O-N 3.42Å; F117-L120 PolarHBondContact O-N 3.24Å; F117-L121 HydrophobicContact CE1-CD2 3.8Å; F117-L121 HydrophobicContact CZ-CD2 3.76Å; F117-L121 WeakPolarHBondContact O-CB 3.37Å; F117-L121 PolarHBondContact O-N 3.37Å; F117-L150 HydrophobicContact CD1-CD1 4.45Å; F117-L150 HydrophobicContact CE1-CD1 4.32Å; F117-R155 HydrophobicContact CD1-CB 4.12Å; F117-R155 HydrophobicContact CD1-CG 3.65Å; F117-R155 HydrophobicContact CD2-CB 4.09Å; F117-R155 HydrophobicContact CD2-CG 4.43Å; F117-R155 HydrophobicContact CE1-CB 3.95Å; F117-R155 HydrophobicContact CE1-CG 3.75Å; F117-R155 HydrophobicContact CE2-CB 3.95Å; F117-R155 WeakPolarHBondContact CE2-O 3.23Å; F117-R155 HydrophobicContact CG-CB 4.17Å; F117-R155 HydrophobicContact CG-CG 3.99Å; F117-R155 HydrophobicContact CZ-CB 3.86Å; F117-R155 HydrophobicContact CZ-CG 4.2Å; F117-R155 VanDerWaalsContact CZ-O 3.28Å; F117-R155 WeakPolarHBondContact CZ-O 3.38Å; F117-I158 HydrophobicContact CE1-CG2 4.4Å; F117-I158 HydrophobicContact CZ-CB 4.1Å; F117-I158 HydrophobicContact CZ-CG2 4.01Å; F117-W159 HydrophobicContact CE2-CB 4.14Å; F117-W159 HydrophobicContact CE2-CE3 4.15Å |
| 118 | D | 86.4 | Confident | 90.1 | Very high | 47 Ų | 47 | 60.1 Ų | 60.1 | 25% | 0.251 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.5 | -42.1 | 177.2 | -68.8 | -33.4 | 0 | 0 | 0 | 111.1 | V114 P115 L121 N122 W144 | V114-D118 PolarHBondContact O-N 3.46Å; P115-D118 PolarHBondContact O-N 3Å; D118-L121 PolarHBondContact O-N 3.41Å; D118-N122 WeakPolarHBondContact O-CB 3.39Å; D118-N122 PolarHBondContact O-N 2.05Å; D118-N122 PolarHBondContact O-ND2 3.29Å; D118-N122 PolarHBondContact O-OD1 3.37Å; D118-W144 PolarHBondContact OD1-NE1 3.35Å |
| 119 | N | 88.4 | Confident | 89.7 | Confident | 101 Ų | 101 | 60.1 Ų | 60.1 | 54% | 0.54 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.6 | -46.6 | 175 | -69.9 | -22.9 | 0 | 0 | 0 | 112.6 | P115 A116 F117 L121 N122 D123 | P115-N119 PolarHBondContact O-N 3.13Å; P115-N119 VanDerWaalsContact O-N 3.17Å; A116-N119 PolarHBondContact O-N 3.42Å; F117-N119 VanDerWaalsContact C-N 3.29Å; F117-N119 PolarHBondContact O-N 3.42Å; N119-L121 VanDerWaalsContact C-N 3.29Å; N119-L121 PolarHBondContact O-N 3.29Å; N119-N122 WeakPolarHBondContact O-CB 3.4Å; N119-N122 PolarHBondContact O-N 2.96Å; N119-D123 PolarHBondContact O-N 3.38Å |
| 120 | L | 90.6 | Very high | 89 | Confident | 73 Ų | 73 | 59.3 Ų | 59.3 | 38% | 0.382 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.2 | -41.7 | 177.8 | -71.5 | 172.1 | 0 | 0 | 0 | 111.8 | I112 A116 F117 N122 D123 Q124 W159 | I112-L120 HydrophobicContact CD1-CD1 4.45Å; I112-L120 HydrophobicContact CG2-CD1 4.16Å; A116-L120 WeakPolarHBondContact O-CG 3.44Å; A116-L120 PolarHBondContact O-N 3.11Å; F117-L120 PolarHBondContact O-N 3.24Å; L120-N122 VanDerWaalsContact C-N 3.33Å; L120-D123 PolarHBondContact O-N 3.48Å; L120-Q124 WeakPolarHBondContact O-CB 3.24Å; L120-Q124 PolarHBondContact O-N 3.26Å; L120-W159 HydrophobicContact CB-CZ3 3.94Å |
| 121 | L | 88.7 | Confident | 88 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68.8 | -36.3 | 179.9 | -175.4 | 51.6 | 0 | 0 | 0 | 111.7 | F117 D118 N119 Q124 I125 W144 I158 C162 | F117-L121 HydrophobicContact CE1-CD2 3.8Å; F117-L121 HydrophobicContact CZ-CD2 3.76Å; F117-L121 WeakPolarHBondContact O-CB 3.37Å; F117-L121 PolarHBondContact O-N 3.37Å; D118-L121 PolarHBondContact O-N 3.41Å; N119-L121 VanDerWaalsContact C-N 3.29Å; N119-L121 PolarHBondContact O-N 3.29Å; L121-Q124 WeakPolarHBondContact O-CB 3.08Å; L121-Q124 PolarHBondContact O-N 3.46Å; L121-I125 HydrophobicContact CD1-CD1 4.43Å; L121-I125 HydrophobicContact CG-CD1 4.35Å; L121-I125 WeakPolarHBondContact O-CG1 3.21Å; L121-I125 PolarHBondContact O-N 3.2Å; L121-W144 HydrophobicContact CB-CH2 4.43Å; L121-W144 HydrophobicContact CB-CZ2 4.34Å; L121-W144 HydrophobicContact CD2-CE3 4.46Å; L121-W144 HydrophobicContact CD2-CH2 3.13Å; L121-W144 HydrophobicContact CD2-CZ2 3.13Å; L121-W144 HydrophobicContact CD2-CZ3 3.83Å; L121-W144 HydrophobicContact CG-CH2 3.49Å; L121-W144 VanDerWaalsContact CG-CH2 3.49Å; L121-W144 HydrophobicContact CG-CZ2 3.78Å; L121-W144 HydrophobicContact CG-CZ3 4.39Å; L121-I158 HydrophobicContact CD1-CG2 4.39Å; L121-I158 HydrophobicContact CD2-CG2 3.38Å; L121-C162 HydrophobicContact CD1-CB 3.49Å; L121-C162 VanDerWaalsContact CD1-CB 3.49Å |
| 122 | N | 87.3 | Confident | 86.7 | Confident | 37 Ų | 37 | 46.2 Ų | 46.2 | 20% | 0.198 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.7 | -44.8 | 173.2 | -72.9 | -11.1 | 0 | 0 | 0 | 112 | D118 N119 L120 Q124 I125 R126 L133 | D118-N122 WeakPolarHBondContact O-CB 3.39Å; D118-N122 PolarHBondContact O-N 2.05Å; D118-N122 PolarHBondContact O-ND2 3.29Å; D118-N122 PolarHBondContact O-OD1 3.37Å; N119-N122 WeakPolarHBondContact O-CB 3.4Å; N119-N122 PolarHBondContact O-N 2.96Å; L120-N122 VanDerWaalsContact C-N 3.33Å; N122-Q124 VanDerWaalsContact C-N 3.33Å; N122-I125 PolarHBondContact O-N 2.85Å; N122-R126 WeakPolarHBondContact O-CB 3.45Å; N122-R126 PolarHBondContact O-N 3.07Å; N122-L133 HydrophobicContact CB-CD1 3.29Å; N122-L133 HydrophobicContact CB-CD2 4.47Å; N122-L133 HydrophobicContact CB-CG 4.48Å; N122-L133 WeakPolarHBondContact OD1-CD1 3.44Å; N122-L133 WeakPolarHBondContact OD1-CD2 3.5Å |
| 123 | D | 88.5 | Confident | 85.2 | Confident | 87 Ų | 87 | 45.8 Ų | 45.8 | 47% | 0.465 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.6 | -38.9 | 176.5 | -70.6 | -24.2 | 0 | 0 | 0 | 111.6 | N119 L120 R126 S127 | N119-D123 PolarHBondContact O-N 3.38Å; L120-D123 PolarHBondContact O-N 3.48Å; D123-R126 PolarHBondContact O-N 3.43Å; D123-R126 IonicContact OD1-NH1 2.69Å; D123-S127 VanDerWaalsContact O-CB 3.3Å; D123-S127 WeakPolarHBondContact O-CB 3.34Å; D123-S127 PolarHBondContact O-N 3.25Å |
| 124 | Q | 88 | Confident | 83.8 | Confident | 56 Ų | 56 | 48.8 Ų | 48.8 | 26% | 0.262 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.5 | -49.4 | 174.6 | 178.9 | 65.2 | 14.7 | 0 | 0 | 111.6 | L120 L121 N122 S127 H128 W159 C162 | L120-Q124 WeakPolarHBondContact O-CB 3.24Å; L120-Q124 PolarHBondContact O-N 3.26Å; L121-Q124 WeakPolarHBondContact O-CB 3.08Å; L121-Q124 PolarHBondContact O-N 3.46Å; N122-Q124 VanDerWaalsContact C-N 3.33Å; Q124-S127 PolarHBondContact O-N 3.35Å; Q124-H128 PolarHBondContact O-N 2.72Å; Q124-H128 VanDerWaalsContact O-N 3.17Å; Q124-W159 HydrophobicContact CB-CH2 4.37Å; Q124-W159 HydrophobicContact CB-CZ3 4.22Å; Q124-C162 PolarHBondContact NE2-O 2.63Å |
| 125 | I | 88.6 | Confident | 82.2 | Confident | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.015 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.9 | -46.4 | 178.3 | -69.2 | 169.8 | 0 | 0 | 0 | 110.1 | L121 N122 S127 H128 T129 V140 I143 W144 L168 L172 | L121-I125 HydrophobicContact CD1-CD1 4.43Å; L121-I125 HydrophobicContact CG-CD1 4.35Å; L121-I125 WeakPolarHBondContact O-CG1 3.21Å; L121-I125 PolarHBondContact O-N 3.2Å; N122-I125 PolarHBondContact O-N 2.85Å; I125-S127 VanDerWaalsContact C-N 3.32Å; I125-S127 PolarHBondContact O-N 2.68Å; I125-H128 PolarHBondContact O-N 2.65Å; I125-H128 VanDerWaalsContact O-N 3.11Å; I125-T129 HydrophobicContact CG2-CG2 4.32Å; I125-T129 PolarHBondContact O-N 2.47Å; I125-T129 PolarHBondContact O-OG1 2.87Å; I125-V140 HydrophobicContact CD1-CG1 4.22Å; I125-V140 HydrophobicContact CD1-CG2 4.07Å; I125-I143 HydrophobicContact CD1-CD1 4.37Å; I125-W144 HydrophobicContact CD1-CH2 4.19Å; I125-W144 HydrophobicContact CD1-CZ3 4.48Å; I125-L168 HydrophobicContact CG1-CD2 4.03Å; I125-L172 HydrophobicContact CG2-CD1 3.84Å |
| 126 | R | 87 | Confident | 80.6 | Confident | 116 Ų | 116 | 48.8 Ų | 48.8 | 44% | 0.438 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.2 | -39 | 177.6 | -176.7 | -174.9 | -62.4 | 161.6 | 0.9 | 111.9 | N122 D123 H128 G130 L131 | N122-R126 WeakPolarHBondContact O-CB 3.45Å; N122-R126 PolarHBondContact O-N 3.07Å; D123-R126 PolarHBondContact O-N 3.43Å; D123-R126 IonicContact OD1-NH1 2.69Å; R126-H128 PolarHBondContact O-N 3.22Å; R126-G130 WeakPolarHBondContact O-CA 3.47Å; R126-G130 PolarHBondContact O-N 3.4Å; R126-L131 WeakPolarHBondContact CG-O 3.38Å |
| 127 | S | 87.1 | Confident | 78.6 | Confident | 75 Ų | 75 | 50.4 Ų | 50.4 | 52% | 0.524 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.1 | -29.5 | 177.3 | -177.8 | 0 | 0 | 0 | 0 | 111.9 | D123 Q124 I125 | D123-S127 VanDerWaalsContact O-CB 3.3Å; D123-S127 WeakPolarHBondContact O-CB 3.34Å; D123-S127 PolarHBondContact O-N 3.25Å; Q124-S127 PolarHBondContact O-N 3.35Å; I125-S127 VanDerWaalsContact C-N 3.32Å; I125-S127 PolarHBondContact O-N 2.68Å |
| 128 | H | 85.1 | Confident | 77 | Confident | 21 Ų | 21 | 57.7 Ų | 57.7 | 10% | 0.097 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -84.5 | -48.8 | 178.3 | -179 | 60.5 | 0 | 0 | 0 | 112.6 | Q124 I125 R126 E165 L168 G262 | Q124-H128 PolarHBondContact O-N 2.72Å; Q124-H128 VanDerWaalsContact O-N 3.17Å; I125-H128 PolarHBondContact O-N 2.65Å; I125-H128 VanDerWaalsContact O-N 3.11Å; R126-H128 PolarHBondContact O-N 3.22Å; H128-E165 WeakPolarHBondContact CE1-CB 2.96Å; H128-E165 WeakPolarHBondContact CE1-CG 3.5Å; H128-E165 WeakPolarHBondContact ND1-CG 3.2Å; H128-L168 HydrophobicContact CB-CD1 3.79Å; H128-L168 VanDerWaalsContact CD2-CD1 3.45Å; H128-L168 WeakPolarHBondContact CD2-CD1 3.48Å; H128-G262 WeakPolarHBondContact O-CA 3.46Å |
| 129 | T | 84.1 | Confident | 75.8 | Confident | 6 Ų | 6 | 56.1 Ų | 56.1 | 4% | 0.037 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -92.5 | -18.8 | -173.3 | 65.4 | 0 | 0 | 0 | 0 | 113.2 | I125 L131 L172 T259 G262 | I125-T129 HydrophobicContact CG2-CG2 4.32Å; I125-T129 PolarHBondContact O-N 2.47Å; I125-T129 PolarHBondContact O-OG1 2.87Å; T129-L131 PolarHBondContact O-N 3.44Å; T129-L131 VanDerWaalsContact O-N 3.15Å; T129-L131 WeakPolarHBondContact OG1-CB 3.3Å; T129-L131 PolarHBondContact OG1-N 2.7Å; T129-L131 VanDerWaalsContact OG1-N 3.11Å; T129-L172 HydrophobicContact CG2-CD1 3.91Å; T129-T259 PolarHBondContact O-OG1 3.22Å; T129-G262 PolarHBondContact O-N 3.37Å |
| 130 | G | 81.9 | Confident | 74.6 | Confident | 28 Ų | 28 | 51.6 Ų | 51.6 | 29% | 0.289 | 28% | 0.284 | S | S | . | . | trans | 67.4 | 1 | -167.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | R126 | R126-G130 WeakPolarHBondContact O-CA 3.47Å; R126-G130 PolarHBondContact O-N 3.4Å | ||
| 131 | L | 74.3 | Confident | 73.5 | Confident | 12 Ų | 12 | 54.9 Ų | 54.9 | 6% | 0.063 | 30% | 0.295 | C | S | . | . | trans | -89.2 | 149.2 | -174.4 | -58.8 | 173.7 | 0 | 0 | 0 | 112.3 | R126 T129 H225 T259 | R126-L131 WeakPolarHBondContact CG-O 3.38Å; T129-L131 PolarHBondContact O-N 3.44Å; T129-L131 VanDerWaalsContact O-N 3.15Å; T129-L131 WeakPolarHBondContact OG1-CB 3.3Å; T129-L131 PolarHBondContact OG1-N 2.7Å; T129-L131 VanDerWaalsContact OG1-N 3.11Å; L131-H225 WeakPolarHBondContact CD1-NE2 3.42Å; L131-T259 HydrophobicContact CD1-CG2 4.43Å | ||
| 132 | S | 68 | Low | 72.7 | Confident | 49 Ų | 49 | 57.4 Ų | 57.4 | 34% | 0.343 | 31% | 0.313 | S | S | . | . | trans | -74 | 146.1 | 162.1 | -173.9 | 0 | 0 | 0 | 0 | 109.5 | D134 D135 | S132-D134 PolarHBondContact O-N 2.71Å; S132-D135 PolarHBondContact O-N 2.58Å; S132-D135 VanDerWaalsContact O-N 3.15Å | ||
| 133 | L | 63.4 | Low | 72.2 | Confident | 21 Ų | 21 | 56.2 Ų | 56.2 | 11% | 0.11 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.1 | -29.3 | 179 | -88.4 | 105.2 | 0 | 0 | 0 | 113.2 | N122 D135 S136 L137 V140 | N122-L133 HydrophobicContact CB-CD1 3.29Å; N122-L133 HydrophobicContact CB-CD2 4.47Å; N122-L133 HydrophobicContact CB-CG 4.48Å; N122-L133 WeakPolarHBondContact OD1-CD1 3.44Å; N122-L133 WeakPolarHBondContact OD1-CD2 3.5Å; L133-D135 PolarHBondContact O-N 2.89Å; L133-D135 VanDerWaalsContact O-N 3.13Å; L133-S136 CarbonylContact O-C 3.42Å; L133-S136 WeakPolarHBondContact O-CA 3.48Å; L133-S136 PolarHBondContact O-N 2.78Å; L133-L137 WeakPolarHBondContact O-CG 3.28Å; L133-L137 PolarHBondContact O-N 2.68Å; L133-V140 HydrophobicContact CD2-CB 3.94Å; L133-V140 HydrophobicContact CD2-CG1 3.46Å; L133-V140 VanDerWaalsContact CD2-CG1 3.46Å; L133-V140 HydrophobicContact CD2-CG2 3.69Å; L133-V140 HydrophobicContact CG-CG2 4.27Å |
| 134 | D | 63 | Low | 71.4 | Confident | 125 Ų | 125 | 54.2 Ų | 54.2 | 67% | 0.668 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -54.7 | -33 | 177.5 | -70.1 | -26.8 | 0 | 0 | 0 | 111.7 | S132 | S132-D134 PolarHBondContact O-N 2.71Å |
| 135 | D | 55 | Low | 70.6 | Confident | 113 Ų | 113 | 53.7 Ų | 53.7 | 60% | 0.604 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -78.9 | -18.1 | 176.9 | -59.5 | -38.8 | 0 | 0 | 0 | 113.4 | S132 L133 | S132-D135 PolarHBondContact O-N 2.58Å; S132-D135 VanDerWaalsContact O-N 3.15Å; L133-D135 PolarHBondContact O-N 2.89Å; L133-D135 VanDerWaalsContact O-N 3.13Å |
| 136 | S | 53.6 | Low | 69.8 | Low | 19 Ų | 19 | 64.2 Ų | 64.2 | 13% | 0.133 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -121.7 | 6.6 | -170 | -60.7 | 0 | 0 | 0 | 0 | 114.5 | L133 L138 G139 V140 | L133-S136 CarbonylContact O-C 3.42Å; L133-S136 WeakPolarHBondContact O-CA 3.48Å; L133-S136 PolarHBondContact O-N 2.78Å; S136-L138 VanDerWaalsContact C-N 3.26Å; S136-L138 PolarHBondContact O-N 3.13Å; S136-G139 PolarHBondContact O-N 3.45Å; S136-V140 WeakPolarHBondContact O-CG2 3.29Å; S136-V140 PolarHBondContact O-N 2.76Å; S136-V140 VanDerWaalsContact O-N 3.08Å |
| 137 | L | 50.3 | Low | 69.1 | Low | 69 Ų | 69 | 64 Ų | 64 | 36% | 0.361 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -50.9 | -36.7 | -166.7 | -92 | 160.9 | 0 | 0 | 0 | 114.6 | L133 K141 | L133-L137 WeakPolarHBondContact O-CG 3.28Å; L133-L137 PolarHBondContact O-N 2.68Å; L137-K141 VanDerWaalsContact O-CB 3.31Å; L137-K141 WeakPolarHBondContact O-CB 3.4Å; L137-K141 WeakPolarHBondContact O-CG 3.19Å; L137-K141 PolarHBondContact O-N 3.19Å |
| 138 | L | 58.6 | Low | 68.3 | Low | 154 Ų | 154 | 66 Ų | 66 | 81% | 0.806 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -68.3 | -46.9 | -179.8 | -73.1 | 172.6 | 0 | 0 | 0 | 112.1 | S136 S142 | S136-L138 VanDerWaalsContact C-N 3.26Å; S136-L138 PolarHBondContact O-N 3.13Å; L138-S142 WeakPolarHBondContact O-CB 3.31Å; L138-S142 PolarHBondContact O-N 2.96Å; L138-S142 VanDerWaalsContact O-N 3.11Å |
| 139 | G | 60.3 | Low | 68.2 | Low | 13 Ų | 13 | 72.1 Ų | 72.1 | 13% | 0.134 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -63.4 | -45.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111 | S136 S142 I143 | S136-G139 PolarHBondContact O-N 3.45Å; G139-S142 WeakPolarHBondContact O-CB 3.27Å; G139-S142 PolarHBondContact O-N 3.16Å; G139-S142 PolarHBondContact O-OG 3.14Å; G139-I143 PolarHBondContact O-N 3.11Å |
| 140 | V | 63.6 | Low | 68.4 | Low | 6 Ų | 6 | 72.5 Ų | 72.5 | 4% | 0.036 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -60.1 | -55.8 | 176.8 | 179.7 | 0 | 0 | 0 | 0 | 110.5 | I125 L133 S136 S142 I143 W144 L172 | I125-V140 HydrophobicContact CD1-CG1 4.22Å; I125-V140 HydrophobicContact CD1-CG2 4.07Å; L133-V140 HydrophobicContact CD2-CB 3.94Å; L133-V140 HydrophobicContact CD2-CG1 3.46Å; L133-V140 VanDerWaalsContact CD2-CG1 3.46Å; L133-V140 HydrophobicContact CD2-CG2 3.69Å; L133-V140 HydrophobicContact CG-CG2 4.27Å; S136-V140 WeakPolarHBondContact O-CG2 3.29Å; S136-V140 PolarHBondContact O-N 2.76Å; S136-V140 VanDerWaalsContact O-N 3.08Å; V140-S142 PolarHBondContact O-N 3.41Å; V140-I143 WeakPolarHBondContact O-CB 3.46Å; V140-I143 PolarHBondContact O-N 2.82Å; V140-W144 HydrophobicContact CB-CZ3 4.33Å; V140-W144 HydrophobicContact CG1-CE3 4.11Å; V140-W144 HydrophobicContact CG1-CH2 3.26Å; V140-W144 HydrophobicContact CG1-CZ2 4.1Å; V140-W144 HydrophobicContact CG1-CZ3 3.29Å; V140-W144 WeakPolarHBondContact O-CZ3 3.05Å; V140-L172 HydrophobicContact CG2-CD2 3.93Å |
| 141 | K | 67.5 | Low | 68.9 | Low | 142 Ų | 142 | 74.6 Ų | 74.6 | 62% | 0.617 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -55.1 | -29.3 | 178.6 | -74.9 | 174.1 | -178.3 | 176.2 | 0 | 113 | L137 I143 W144 | L137-K141 VanDerWaalsContact O-CB 3.31Å; L137-K141 WeakPolarHBondContact O-CB 3.4Å; L137-K141 WeakPolarHBondContact O-CG 3.19Å; L137-K141 PolarHBondContact O-N 3.19Å; K141-I143 VanDerWaalsContact C-N 3.33Å; K141-W144 PolarHBondContact O-N 3.29Å |
| 142 | S | 72.4 | Confident | 69.9 | Low | 54 Ų | 54 | 76 Ų | 76 | 38% | 0.378 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -74.2 | -18.1 | 178.3 | 88.7 | 0 | 0 | 0 | 0 | 114.7 | L138 G139 V140 W144 K171 | L138-S142 WeakPolarHBondContact O-CB 3.31Å; L138-S142 PolarHBondContact O-N 2.96Å; L138-S142 VanDerWaalsContact O-N 3.11Å; G139-S142 WeakPolarHBondContact O-CB 3.27Å; G139-S142 PolarHBondContact O-N 3.16Å; G139-S142 PolarHBondContact O-OG 3.14Å; V140-S142 PolarHBondContact O-N 3.41Å; S142-W144 VanDerWaalsContact C-N 3.31Å; S142-K171 WeakPolarHBondContact O-CE 3.3Å; S142-K171 PolarHBondContact O-NZ 3.25Å; S142-K171 WeakPolarHBondContact OG-CE 2.89Å; S142-K171 PolarHBondContact OG-NZ 2.95Å |
| 143 | I | 76.4 | Confident | 71.2 | Confident | 11 Ų | 11 | 74.1 Ų | 74.1 | 6% | 0.056 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -72.9 | -29 | 172.9 | -70.4 | 161.8 | 0 | 0 | 0 | 109.9 | I125 G139 V140 K141 I158 Y167 L168 K171 L172 | I125-I143 HydrophobicContact CD1-CD1 4.37Å; G139-I143 PolarHBondContact O-N 3.11Å; V140-I143 WeakPolarHBondContact O-CB 3.46Å; V140-I143 PolarHBondContact O-N 2.82Å; K141-I143 VanDerWaalsContact C-N 3.33Å; I143-I158 HydrophobicContact CG2-CG2 3.74Å; I143-Y167 HydrophobicContact CG1-CE1 4.31Å; I143-L168 HydrophobicContact CD1-CD2 4.33Å; I143-K171 HydrophobicContact CD1-CG 4.19Å; I143-K171 HydrophobicContact CG1-CB 4.41Å; I143-K171 HydrophobicContact CG1-CD 4.47Å; I143-K171 HydrophobicContact CG1-CG 3.42Å; I143-K171 VanDerWaalsContact CG1-CG 3.42Å; I143-L172 HydrophobicContact CD1-CD2 3.86Å |
| 144 | W | 70.4 | Confident | 72.7 | Confident | 46 Ų | 46 | 73.3 Ų | 73.3 | 17% | 0.174 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -84.5 | 130.8 | -174.9 | -78.1 | -130.8 | 0 | 0 | 0 | 107 | D118 L121 I125 V140 K141 S142 K146 | D118-W144 PolarHBondContact OD1-NE1 3.35Å; L121-W144 HydrophobicContact CB-CH2 4.43Å; L121-W144 HydrophobicContact CB-CZ2 4.34Å; L121-W144 HydrophobicContact CD2-CE3 4.46Å; L121-W144 HydrophobicContact CD2-CH2 3.13Å; L121-W144 HydrophobicContact CD2-CZ2 3.13Å; L121-W144 HydrophobicContact CD2-CZ3 3.83Å; L121-W144 HydrophobicContact CG-CH2 3.49Å; L121-W144 VanDerWaalsContact CG-CH2 3.49Å; L121-W144 HydrophobicContact CG-CZ2 3.78Å; L121-W144 HydrophobicContact CG-CZ3 4.39Å; I125-W144 HydrophobicContact CD1-CH2 4.19Å; I125-W144 HydrophobicContact CD1-CZ3 4.48Å; V140-W144 HydrophobicContact CB-CZ3 4.33Å; V140-W144 HydrophobicContact CG1-CE3 4.11Å; V140-W144 HydrophobicContact CG1-CH2 3.26Å; V140-W144 HydrophobicContact CG1-CZ2 4.1Å; V140-W144 HydrophobicContact CG1-CZ3 3.29Å; V140-W144 WeakPolarHBondContact O-CZ3 3.05Å; K141-W144 PolarHBondContact O-N 3.29Å; S142-W144 VanDerWaalsContact C-N 3.31Å; W144-K146 PolarHBondContact O-N 2.89Å |
| 145 | P | 71.6 | Confident | 74.1 | Confident | 45 Ų | 45 | 68.2 Ų | 68.2 | 29% | 0.292 | 37% | 0.365 | S | S | . | . | trans | -59.9 | 143 | 169.2 | 27.5 | -33 | 0 | 0 | 0 | 108.3 | K147 L150 | P145-K147 HydrophobicContact CB-CD 4.13Å; P145-K147 HydrophobicContact CB-CG 4.07Å; P145-K147 HydrophobicContact CG-CD 4.15Å; P145-K147 HydrophobicContact CG-CG 4.42Å; P145-K147 PolarHBondContact O-N 3.04Å; P145-L150 HydrophobicContact CG-CD2 3.5Å; P145-L150 VanDerWaalsContact CG-CD2 3.5Å | ||
| 146 | K | 72 | Confident | 76.1 | Confident | 224 Ų | 224 | 65.6 Ų | 65.6 | 97% | 0.974 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -71.1 | 50 | 174.2 | -62.9 | -176.5 | 179.7 | -179.2 | 0 | 111.5 | W144 | W144-K146 PolarHBondContact O-N 2.89Š|
| 147 | K | 71.6 | Confident | 78.2 | Confident | 111 Ų | 111 | 64.9 Ų | 64.9 | 48% | 0.483 | 34% | 0.341 | S | S | . | . | trans | -100.9 | 142.9 | 177.4 | -71.5 | 177.4 | -179.6 | -179.5 | 0 | 108.7 | P145 M149 D154 | P145-K147 HydrophobicContact CB-CD 4.13Å; P145-K147 HydrophobicContact CB-CG 4.07Å; P145-K147 HydrophobicContact CG-CD 4.15Å; P145-K147 HydrophobicContact CG-CG 4.42Å; P145-K147 PolarHBondContact O-N 3.04Å; K147-M149 PolarHBondContact O-N 3.4Å; K147-D154 IonicContact NZ-OD1 3.21Å; K147-D154 PolarHBondContact NZ-OD1 3.22Å; K147-D154 IonicContact NZ-OD2 3.93Å; K147-D154 PolarHBondContact NZ-OD2 3.09Å | ||
| 148 | A | 71.2 | Confident | 80.3 | Confident | 118 Ų | 118 | 62 Ų | 62 | 98% | 0.975 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -63.1 | -30 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 149 | M | 82 | Confident | 82 | Confident | 149 Ų | 149 | 56.6 Ų | 56.6 | 73% | 0.734 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -142.5 | 132.5 | 178.5 | -173.9 | 176.1 | 164.2 | 0 | 0 | 110.3 | K147 | K147-M149 PolarHBondContact O-N 3.4Š|
| 150 | L | 88.4 | Confident | 83.8 | Confident | 13 Ų | 13 | 56 Ų | 56 | 7% | 0.068 | 29% | 0.289 | C | S | . | . | trans | -82.4 | 126.5 | 175.5 | -62.2 | 179.7 | 0 | 0 | 0 | 110.3 | F117 P145 D154 R155 I158 | F117-L150 HydrophobicContact CD1-CD1 4.45Å; F117-L150 HydrophobicContact CE1-CD1 4.32Å; P145-L150 HydrophobicContact CG-CD2 3.5Å; P145-L150 VanDerWaalsContact CG-CD2 3.5Å; L150-D154 HydrophobicContact CB-CB 4.3Å; L150-D154 HydrophobicContact CD2-CB 4.15Å; L150-R155 HydrophobicContact CB-CG 3.9Å; L150-R155 HydrophobicContact CD1-CG 4.26Å; L150-I158 HydrophobicContact CD1-CD1 4.28Å; L150-I158 HydrophobicContact CD2-CD1 4.29Å | ||
| 151 | T | 93 | Very high | 85.3 | Confident | 72 Ų | 72 | 55.9 Ų | 55.9 | 44% | 0.442 | 29% | 0.288 | S | S | . | . | trans | -74.8 | 168 | 171.6 | 65.1 | 0 | 0 | 0 | 0 | 111.3 | A153 D154 R155 | T151-A153 VanDerWaalsContact C-N 3.25Å; T151-A153 PolarHBondContact O-N 2.86Å; T151-D154 WeakPolarHBondContact CB-OD2 3.29Å; T151-D154 PolarHBondContact N-OD2 2.01Å; T151-D154 PolarHBondContact O-N 3.27Å; T151-D154 PolarHBondContact OG1-N 2.86Å; T151-D154 VanDerWaalsContact OG1-N 3.11Å; T151-D154 PolarHBondContact OG1-OD2 3.39Å; T151-R155 WeakPolarHBondContact O-CG 3.5Å; T151-R155 PolarHBondContact O-N 2.86Å | ||
| 152 | L | 95 | Very high | 86.6 | Confident | 41 Ų | 41 | 49.1 Ų | 49.1 | 22% | 0.215 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58 | -40.3 | 172.2 | -178.9 | 58.3 | 0 | 0 | 0 | 112 | E110 R155 R156 | E110-L152 HydrophobicContact CB-CD1 4.45Å; E110-L152 HydrophobicContact CB-CD2 3.9Å; E110-L152 HydrophobicContact CG-CD2 3.99Å; L152-R155 PolarHBondContact O-N 3.36Å; L152-R156 HydrophobicContact CD1-CG 4.28Å; L152-R156 WeakPolarHBondContact O-CG 2.99Å; L152-R156 PolarHBondContact O-N 3.48Å |
| 153 | A | 95.6 | Very high | 87.6 | Confident | 11 Ų | 11 | 48.1 Ų | 48.1 | 9% | 0.091 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.9 | -43.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | G55 T151 R155 R156 S157 | G55-A153 WeakPolarHBondContact O-CB 3.31Å; T151-A153 VanDerWaalsContact C-N 3.25Å; T151-A153 PolarHBondContact O-N 2.86Å; A153-R155 PolarHBondContact O-N 3.49Å; A153-R156 PolarHBondContact O-N 3.21Å; A153-S157 WeakPolarHBondContact O-CB 3.23Å; A153-S157 PolarHBondContact O-N 3.49Å; A153-S157 PolarHBondContact O-OG 3.38Å |
| 154 | D | 94.4 | Very high | 88.5 | Confident | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.021 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.9 | -47.3 | 176.1 | -62.9 | -52 | 0 | 0 | 0 | 111 | S58 K147 L150 T151 R156 S157 I158 | S58-D154 WeakPolarHBondContact CB-OD1 3.39Å; S58-D154 VanDerWaalsContact OG-CA 3.27Å; S58-D154 WeakPolarHBondContact OG-CA 3Å; S58-D154 PolarHBondContact OG-OD1 2.85Å; K147-D154 IonicContact NZ-OD1 3.21Å; K147-D154 PolarHBondContact NZ-OD1 3.22Å; K147-D154 IonicContact NZ-OD2 3.93Å; K147-D154 PolarHBondContact NZ-OD2 3.09Å; L150-D154 HydrophobicContact CB-CB 4.3Å; L150-D154 HydrophobicContact CD2-CB 4.15Å; T151-D154 WeakPolarHBondContact CB-OD2 3.29Å; T151-D154 PolarHBondContact N-OD2 2.01Å; T151-D154 PolarHBondContact O-N 3.27Å; T151-D154 PolarHBondContact OG1-N 2.86Å; T151-D154 VanDerWaalsContact OG1-N 3.11Å; T151-D154 PolarHBondContact OG1-OD2 3.39Å; D154-R156 PolarHBondContact O-N 3.31Å; D154-S157 PolarHBondContact O-N 3.16Å; D154-I158 WeakPolarHBondContact O-CB 3.35Å; D154-I158 WeakPolarHBondContact O-CD1 3.46Å; D154-I158 WeakPolarHBondContact O-CG1 3.15Å; D154-I158 PolarHBondContact O-N 3.11Å |
| 155 | R | 94.2 | Very high | 89.7 | Confident | 17 Ų | 17 | 49.3 Ų | 49.3 | 6% | 0.064 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.7 | -41.4 | -179 | -65.6 | -172 | -64.8 | 167.8 | 3.5 | 112.8 | I112 S113 F117 L150 T151 L152 A153 I158 W159 | I112-R155 VanDerWaalsContact O-CZ 3.25Å; I112-R155 PolarHBondContact O-NH1 3.19Å; I112-R155 PolarHBondContact O-NH2 3.19Å; S113-R155 PolarHBondContact O-NH1 3.05Å; S113-R155 VanDerWaalsContact O-NH1 3.07Å; F117-R155 HydrophobicContact CD1-CB 4.12Å; F117-R155 HydrophobicContact CD1-CG 3.65Å; F117-R155 HydrophobicContact CD2-CB 4.09Å; F117-R155 HydrophobicContact CD2-CG 4.43Å; F117-R155 HydrophobicContact CE1-CB 3.95Å; F117-R155 HydrophobicContact CE1-CG 3.75Å; F117-R155 HydrophobicContact CE2-CB 3.95Å; F117-R155 WeakPolarHBondContact CE2-O 3.23Å; F117-R155 HydrophobicContact CG-CB 4.17Å; F117-R155 HydrophobicContact CG-CG 3.99Å; F117-R155 HydrophobicContact CZ-CB 3.86Å; F117-R155 HydrophobicContact CZ-CG 4.2Å; F117-R155 VanDerWaalsContact CZ-O 3.28Å; F117-R155 WeakPolarHBondContact CZ-O 3.38Å; L150-R155 HydrophobicContact CB-CG 3.9Å; L150-R155 HydrophobicContact CD1-CG 4.26Å; T151-R155 WeakPolarHBondContact O-CG 3.5Å; T151-R155 PolarHBondContact O-N 2.86Å; L152-R155 PolarHBondContact O-N 3.36Å; A153-R155 PolarHBondContact O-N 3.49Å; R155-I158 PolarHBondContact O-N 2.82Å; R155-W159 VanDerWaalsContact O-CB 3.28Å; R155-W159 WeakPolarHBondContact O-CB 3.34Å; R155-W159 PolarHBondContact O-N 2.9Å |
| 156 | R | 96.4 | Very high | 90.8 | Very high | 58 Ų | 58 | 47.7 Ų | 47.7 | 22% | 0.219 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.1 | -42 | 176.2 | -71.2 | 177.2 | 172.9 | 167.9 | -2.5 | 112.2 | F102 M107 V108 L152 A153 D154 W159 A160 | F102-R156 HydrophobicContact CE1-CB 4.48Å; F102-R156 HydrophobicContact CZ-CB 3.83Å; M107-R156 HydrophobicContact SD-CB 4.31Å; M107-R156 HydrophobicContact SD-CG 4.25Å; V108-R156 HydrophobicContact CB-CG 4.02Å; V108-R156 PolarHBondContact O-NE 3.18Å; V108-R156 PolarHBondContact O-NH2 3.23Å; L152-R156 HydrophobicContact CD1-CG 4.28Å; L152-R156 WeakPolarHBondContact O-CG 2.99Å; L152-R156 PolarHBondContact O-N 3.48Å; A153-R156 PolarHBondContact O-N 3.21Å; D154-R156 PolarHBondContact O-N 3.31Å; R156-W159 PolarHBondContact O-N 2.93Å; R156-A160 WeakPolarHBondContact O-CB 3.06Å; R156-A160 PolarHBondContact O-N 2.69Å |
| 157 | S | 96.8 | Very high | 91.9 | Very high | 4 Ų | 4 | 37.3 Ų | 37.3 | 3% | 0.028 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.9 | -50.3 | 173.2 | -72.4 | 0 | 0 | 0 | 0 | 111.7 | S58 A153 D154 W159 A160 L161 G187 | S58-S157 PolarHBondContact N-OG 2.84Å; S58-S157 WeakPolarHBondContact O-CB 3.06Å; S58-S157 PolarHBondContact O-OG 3.18Å; A153-S157 WeakPolarHBondContact O-CB 3.23Å; A153-S157 PolarHBondContact O-N 3.49Å; A153-S157 PolarHBondContact O-OG 3.38Å; D154-S157 PolarHBondContact O-N 3.16Å; S157-W159 VanDerWaalsContact C-N 3.34Å; S157-W159 PolarHBondContact O-N 3.37Å; S157-A160 PolarHBondContact O-N 3.04Å; S157-L161 VanDerWaalsContact O-CG 3.3Å; S157-L161 WeakPolarHBondContact O-CG 3.12Å; S157-L161 PolarHBondContact O-N 3.11Å; S157-G187 WeakPolarHBondContact OG-CA 3.34Å |
| 158 | I | 94.8 | Very high | 92.9 | Very high | 8 Ų | 8 | 32 Ų | 32 | 4% | 0.041 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.1 | -45.2 | 179.8 | -67.9 | 163.2 | 0 | 0 | 0 | 110.5 | F117 L121 I143 L150 D154 R155 A160 L161 C162 | F117-I158 HydrophobicContact CE1-CG2 4.4Å; F117-I158 HydrophobicContact CZ-CB 4.1Å; F117-I158 HydrophobicContact CZ-CG2 4.01Å; L121-I158 HydrophobicContact CD1-CG2 4.39Å; L121-I158 HydrophobicContact CD2-CG2 3.38Å; I143-I158 HydrophobicContact CG2-CG2 3.74Å; L150-I158 HydrophobicContact CD1-CD1 4.28Å; L150-I158 HydrophobicContact CD2-CD1 4.29Å; D154-I158 WeakPolarHBondContact O-CB 3.35Å; D154-I158 WeakPolarHBondContact O-CD1 3.46Å; D154-I158 WeakPolarHBondContact O-CG1 3.15Å; D154-I158 PolarHBondContact O-N 3.11Å; R155-I158 PolarHBondContact O-N 2.82Å; I158-A160 PolarHBondContact O-N 3.11Å; I158-L161 PolarHBondContact O-N 3.34Å; I158-C162 WeakPolarHBondContact O-CB 3.45Å; I158-C162 PolarHBondContact O-N 3.05Å; I158-C162 PolarHBondContact O-SG 3.48Å; I158-C162 VanDerWaalsContact O-SG 3.41Å |
| 159 | W | 95.4 | Very high | 93.9 | Very high | 41 Ų | 41 | 26.5 Ų | 26.5 | 16% | 0.155 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -58.4 | -48.4 | 177 | -176.9 | -95.6 | 0 | 0 | 0 | 112.1 | D106 V108 F117 L120 Q124 R155 R156 S157 L161 C162 S163 | D106-W159 PolarHBondContact O-NE1 3.05Å; V108-W159 HydrophobicContact CG2-CB 3.5Å; V108-W159 VanDerWaalsContact CG2-CB 3.5Å; V108-W159 HydrophobicContact CG2-CD2 4.03Å; V108-W159 HydrophobicContact CG2-CE3 4.42Å; V108-W159 HydrophobicContact CG2-CG 3.62Å; F117-W159 HydrophobicContact CE2-CB 4.14Å; F117-W159 HydrophobicContact CE2-CE3 4.15Å; L120-W159 HydrophobicContact CB-CZ3 3.94Å; Q124-W159 HydrophobicContact CB-CH2 4.37Å; Q124-W159 HydrophobicContact CB-CZ3 4.22Å; R155-W159 VanDerWaalsContact O-CB 3.28Å; R155-W159 WeakPolarHBondContact O-CB 3.34Å; R155-W159 PolarHBondContact O-N 2.9Å; R156-W159 PolarHBondContact O-N 2.93Å; S157-W159 VanDerWaalsContact C-N 3.34Å; S157-W159 PolarHBondContact O-N 3.37Å; W159-L161 VanDerWaalsContact C-N 3.3Å; W159-L161 PolarHBondContact O-N 2.92Å; W159-C162 CarbonylContact O-C 3.59Å; W159-C162 PolarHBondContact O-N 2.83Å; W159-S163 WeakPolarHBondContact O-CB 3.49Å; W159-S163 PolarHBondContact O-N 2.71Å; W159-S163 PolarHBondContact O-OG 3.33Å |
| 160 | A | 96.9 | Very high | 94.5 | Very high | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.008 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.7 | -37.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | F102 F105 R156 S157 I158 Q164 H188 | F102-A160 HydrophobicContact CD2-CB 4.27Å; F102-A160 HydrophobicContact CE2-CB 3.85Å; F105-A160 HydrophobicContact CB-CB 3.86Å; F105-A160 HydrophobicContact CD1-CB 4.12Å; F105-A160 HydrophobicContact CD2-CB 4.07Å; F105-A160 WeakPolarHBondContact CE1-O 3.41Å; F105-A160 HydrophobicContact CG-CB 3.75Å; R156-A160 WeakPolarHBondContact O-CB 3.06Å; R156-A160 PolarHBondContact O-N 2.69Å; S157-A160 PolarHBondContact O-N 3.04Å; I158-A160 PolarHBondContact O-N 3.11Å; A160-Q164 WeakPolarHBondContact O-CG 3.2Å; A160-Q164 PolarHBondContact O-NE2 2.95Å; A160-H188 HydrophobicContact CB-CB 3.83Å |
| 161 | L | 96.1 | Very high | 94.6 | Very high | 4 Ų | 4 | 21 Ų | 21 | 2% | 0.021 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -66.3 | -48.8 | 174.4 | -72 | 164.7 | 0 | 0 | 0 | 111.8 | S157 I158 W159 S163 Q164 Y167 T185 G187 H188 Y190 | S157-L161 VanDerWaalsContact O-CG 3.3Å; S157-L161 WeakPolarHBondContact O-CG 3.12Å; S157-L161 PolarHBondContact O-N 3.11Å; I158-L161 PolarHBondContact O-N 3.34Å; W159-L161 VanDerWaalsContact C-N 3.3Å; W159-L161 PolarHBondContact O-N 2.92Å; L161-S163 PolarHBondContact O-N 3.32Å; L161-Q164 WeakPolarHBondContact O-CB 3.45Å; L161-Q164 PolarHBondContact O-N 3.48Å; L161-Q164 VanDerWaalsContact O-N 3.11Å; L161-Y167 VanDerWaalsContact C-CD1 3.49Å; L161-Y167 HydrophobicContact CB-CD1 3.71Å; L161-Y167 HydrophobicContact CB-CD2 4.41Å; L161-Y167 HydrophobicContact CB-CE1 3.56Å; L161-Y167 HydrophobicContact CB-CE2 4.27Å; L161-Y167 HydrophobicContact CB-CG 4.13Å; L161-Y167 HydrophobicContact CD1-CE2 4.37Å; L161-Y167 HydrophobicContact CD2-CD2 3.89Å; L161-Y167 HydrophobicContact CD2-CE2 3.87Å; L161-Y167 HydrophobicContact CD2-CG 4.28Å; L161-Y167 HydrophobicContact CG-CE1 4.49Å; L161-Y167 HydrophobicContact CG-CE2 4.4Å; L161-Y167 WeakPolarHBondContact O-CB 3.35Å; L161-Y167 VanDerWaalsContact O-CD1 3.23Å; L161-Y167 WeakPolarHBondContact O-CD1 3.32Å; L161-T185 HydrophobicContact CD1-CG2 3.8Å; L161-T185 HydrophobicContact CD2-CG2 4.32Å; L161-G187 WeakPolarHBondContact CD1-O 3.46Å; L161-G187 VanDerWaalsContact CG-O 3.3Å; L161-G187 WeakPolarHBondContact CG-O 3.43Å; L161-H188 WeakPolarHBondContact CD2-O 3.3Å; L161-Y190 HydrophobicContact CD2-CD1 4.1Å |
| 162 | C | 93.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -75.3 | -5.9 | -179.8 | -64.4 | 0 | 0 | 0 | 0 | 113.9 | L121 Q124 I158 W159 Q164 L168 | L121-C162 HydrophobicContact CD1-CB 3.49Å; L121-C162 VanDerWaalsContact CD1-CB 3.49Å; Q124-C162 PolarHBondContact NE2-O 2.63Å; I158-C162 WeakPolarHBondContact O-CB 3.45Å; I158-C162 PolarHBondContact O-N 3.05Å; I158-C162 PolarHBondContact O-SG 3.48Å; I158-C162 VanDerWaalsContact O-SG 3.41Å; W159-C162 CarbonylContact O-C 3.59Å; W159-C162 PolarHBondContact O-N 2.83Å; C162-Q164 PolarHBondContact O-N 3.35Å; C162-L168 HydrophobicContact CB-CD2 3.91Å; C162-L168 WeakPolarHBondContact O-CD1 3.41Å |
| 163 | S | 94.6 | Very high | 94.1 | Very high | 33 Ų | 33 | 16.7 Ų | 16.7 | 23% | 0.231 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 10 | 167.2 | -58.9 | 0 | 0 | 0 | 0 | 112.6 | W159 L161 | W159-S163 WeakPolarHBondContact O-CB 3.49Å; W159-S163 PolarHBondContact O-N 2.71Å; W159-S163 PolarHBondContact O-OG 3.33Å; L161-S163 PolarHBondContact O-N 3.32Å |
| 164 | Q | 95.3 | Very high | 93.8 | Very high | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.009 | 9% | 0.09 | C | C | . | . | trans | -124.3 | 119.9 | -179.6 | -56.9 | 171.1 | 72.1 | 0 | 0 | 109.1 | S97 A98 F105 A160 L161 C162 E166 Y167 L168 H188 | S97-Q164 PolarHBondContact OG-OE1 3.35Å; A98-Q164 HydrophobicContact CB-CB 4.37Å; A98-Q164 HydrophobicContact CB-CG 3.89Å; F105-Q164 HydrophobicContact CE1-CG 3.61Å; F105-Q164 HydrophobicContact CZ-CG 3.79Å; A160-Q164 WeakPolarHBondContact O-CG 3.2Å; A160-Q164 PolarHBondContact O-NE2 2.95Å; L161-Q164 WeakPolarHBondContact O-CB 3.45Å; L161-Q164 PolarHBondContact O-N 3.48Å; L161-Q164 VanDerWaalsContact O-N 3.11Å; C162-Q164 PolarHBondContact O-N 3.35Å; Q164-E166 VanDerWaalsContact C-N 3.35Å; Q164-E166 PolarHBondContact O-N 2.87Å; Q164-Y167 PolarHBondContact O-N 2.72Å; Q164-L168 PolarHBondContact O-N 3.07Å; Q164-L168 VanDerWaalsContact O-N 3.09Å; Q164-H188 PolarHBondContact NE2-O 2.89Å | ||
| 165 | E | 94.2 | Very high | 93.4 | Very high | 79 Ų | 79 | 24.5 Ų | 24.5 | 37% | 0.369 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -58.6 | -46.1 | -177.1 | -65.1 | 86.9 | 170.2 | 0 | 0 | 111.4 | H128 Y167 L168 N169 D255 | H128-E165 WeakPolarHBondContact CE1-CB 2.96Å; H128-E165 WeakPolarHBondContact CE1-CG 3.5Å; H128-E165 WeakPolarHBondContact ND1-CG 3.2Å; E165-Y167 PolarHBondContact O-N 3.38Å; E165-L168 PolarHBondContact O-N 2.83Å; E165-N169 PolarHBondContact O-N 3.42Å; E165-N169 PolarHBondContact O-ND2 2.87Å; E165-D255 VanDerWaalsContact CB-O 3.31Å; E165-D255 WeakPolarHBondContact CB-O 3.15Å |
| 166 | E | 95.6 | Very high | 93.2 | Very high | 11 Ų | 11 | 23.8 Ų | 23.8 | 5% | 0.051 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.5 | -42.7 | 179.8 | -166.5 | -167.1 | 99 | 0 | 0 | 112.1 | K96 Q164 L168 N169 F170 Y190 A254 D255 | K96-E166 WeakPolarHBondContact CE-OE1 3.46Å; K96-E166 IonicContact NZ-OE1 2.68Å; K96-E166 PolarHBondContact NZ-OE1 2.89Å; K96-E166 IonicContact NZ-OE2 2.8Å; K96-E166 PolarHBondContact NZ-OE2 3.04Å; Q164-E166 VanDerWaalsContact C-N 3.35Å; Q164-E166 PolarHBondContact O-N 2.87Å; E166-L168 VanDerWaalsContact C-N 3.34Å; E166-L168 PolarHBondContact O-N 2.83Å; E166-N169 PolarHBondContact O-N 3.34Å; E166-F170 HydrophobicContact CG-CD2 3.78Å; E166-F170 HydrophobicContact CG-CE2 3.54Å; E166-F170 HydrophobicContact CG-CG 4.49Å; E166-F170 HydrophobicContact CG-CZ 4.04Å; E166-F170 WeakPolarHBondContact O-CB 3.35Å; E166-F170 VanDerWaalsContact O-CD2 3.28Å; E166-F170 WeakPolarHBondContact O-CD2 3.47Å; E166-F170 PolarHBondContact O-N 3.03Å; E166-Y190 VanDerWaalsContact CD-OH 3.23Å; E166-Y190 PolarHBondContact OE1-OH 3.41Å; E166-A254 HydrophobicContact CG-CB 4.14Å; E166-D255 HydrophobicContact CB-CB 4.28Å |
| 167 | Y | 95.5 | Very high | 92.9 | Very high | 6 Ų | 6 | 21.9 Ų | 21.9 | 2% | 0.024 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.4 | -44.4 | 178 | 173.8 | -95.8 | 0 | 0 | 0 | 111 | I143 L161 Q164 E165 N169 F170 K171 V182 T185 Y190 | I143-Y167 HydrophobicContact CG1-CE1 4.31Å; L161-Y167 VanDerWaalsContact C-CD1 3.49Å; L161-Y167 HydrophobicContact CB-CD1 3.71Å; L161-Y167 HydrophobicContact CB-CD2 4.41Å; L161-Y167 HydrophobicContact CB-CE1 3.56Å; L161-Y167 HydrophobicContact CB-CE2 4.27Å; L161-Y167 HydrophobicContact CB-CG 4.13Å; L161-Y167 HydrophobicContact CD1-CE2 4.37Å; L161-Y167 HydrophobicContact CD2-CD2 3.89Å; L161-Y167 HydrophobicContact CD2-CE2 3.87Å; L161-Y167 HydrophobicContact CD2-CG 4.28Å; L161-Y167 HydrophobicContact CG-CE1 4.49Å; L161-Y167 HydrophobicContact CG-CE2 4.4Å; L161-Y167 WeakPolarHBondContact O-CB 3.35Å; L161-Y167 VanDerWaalsContact O-CD1 3.23Å; L161-Y167 WeakPolarHBondContact O-CD1 3.32Å; Q164-Y167 PolarHBondContact O-N 2.72Å; E165-Y167 PolarHBondContact O-N 3.38Å; Y167-N169 VanDerWaalsContact C-N 3.35Å; Y167-N169 PolarHBondContact O-N 2.84Å; Y167-F170 PolarHBondContact O-N 3.28Å; Y167-K171 HydrophobicContact CE1-CB 4.42Å; Y167-K171 HydrophobicContact CE1-CG 4.48Å; Y167-K171 WeakPolarHBondContact O-CB 3.25Å; Y167-K171 PolarHBondContact O-N 2.94Å; Y167-V182 HydrophobicContact CE2-CG1 4.26Å; Y167-T185 HydrophobicContact CE2-CG2 4.11Å; Y167-Y190 AromaticContact CD2-CD1 3.68Å; Y167-Y190 HydrophobicContact CD2-CD1 3.68Å; Y167-Y190 HydrophobicContact CD2-CD2 4.18Å; Y167-Y190 HydrophobicContact CD2-CE1 4.32Å; Y167-Y190 AromaticContact CD2-CG 3.63Å; Y167-Y190 HydrophobicContact CD2-CG 3.63Å; Y167-Y190 HydrophobicContact CE2-CG 4.31Å; Y167-Y190 HydrophobicContact CG-CD1 4.29Å |
| 168 | L | 92.5 | Very high | 92.8 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -58.9 | -47.1 | 175.9 | -74.4 | -179.6 | 0 | 0 | 0 | 111 | I125 H128 I143 C162 Q164 E165 E166 K171 L172 | I125-L168 HydrophobicContact CG1-CD2 4.03Å; H128-L168 HydrophobicContact CB-CD1 3.79Å; H128-L168 VanDerWaalsContact CD2-CD1 3.45Å; H128-L168 WeakPolarHBondContact CD2-CD1 3.48Å; I143-L168 HydrophobicContact CD1-CD2 4.33Å; C162-L168 HydrophobicContact CB-CD2 3.91Å; C162-L168 WeakPolarHBondContact O-CD1 3.41Å; Q164-L168 PolarHBondContact O-N 3.07Å; Q164-L168 VanDerWaalsContact O-N 3.09Å; E165-L168 PolarHBondContact O-N 2.83Å; E166-L168 VanDerWaalsContact C-N 3.34Å; E166-L168 PolarHBondContact O-N 2.83Å; L168-K171 PolarHBondContact O-N 2.76Å; L168-L172 HydrophobicContact CB-CD1 4.36Å; L168-L172 HydrophobicContact CD2-CD1 4.18Å; L168-L172 WeakPolarHBondContact O-CB 2.97Å; L168-L172 VanDerWaalsContact O-CG 3.29Å; L168-L172 WeakPolarHBondContact O-CG 3.23Å; L168-L172 PolarHBondContact O-N 2.89Å |
| 169 | N | 92.9 | Very high | 92.7 | Very high | 2 Ų | 2 | 21.8 Ų | 21.8 | 1% | 0.011 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.3 | -49.2 | 177.7 | -75.8 | -36.5 | 0 | 0 | 0 | 112.2 | E165 E166 Y167 K171 L173 A254 L257 | E165-N169 PolarHBondContact O-N 3.42Å; E165-N169 PolarHBondContact O-ND2 2.87Å; E166-N169 PolarHBondContact O-N 3.34Å; Y167-N169 VanDerWaalsContact C-N 3.35Å; Y167-N169 PolarHBondContact O-N 2.84Å; N169-K171 PolarHBondContact O-N 3.28Å; N169-L173 HydrophobicContact CB-CD1 4.45Å; N169-L173 WeakPolarHBondContact O-CA 3.36Å; N169-L173 VanDerWaalsContact O-CB 3.24Å; N169-L173 WeakPolarHBondContact O-CB 3.28Å; N169-L173 PolarHBondContact O-N 2.76Å; N169-A254 HydrophobicContact CB-CB 4.2Å; N169-A254 PolarHBondContact ND2-O 2.65Å; N169-L257 HydrophobicContact CB-CD2 4.22Å; N169-L257 PolarHBondContact ND2-O 3.16Å |
| 170 | F | 94.1 | Very high | 92.7 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 0% | 0.004 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60.9 | -30.2 | 179.7 | -83.2 | -143.7 | 0 | 0 | 0 | 112.3 | E166 Y167 F179 P180 V182 Y190 V192 A254 | E166-F170 HydrophobicContact CG-CD2 3.78Å; E166-F170 HydrophobicContact CG-CE2 3.54Å; E166-F170 HydrophobicContact CG-CG 4.49Å; E166-F170 HydrophobicContact CG-CZ 4.04Å; E166-F170 WeakPolarHBondContact O-CB 3.35Å; E166-F170 VanDerWaalsContact O-CD2 3.28Å; E166-F170 WeakPolarHBondContact O-CD2 3.47Å; E166-F170 PolarHBondContact O-N 3.03Å; Y167-F170 PolarHBondContact O-N 3.28Å; F170-F179 HydrophobicContact CB-CB 4.49Å; F170-F179 HydrophobicContact CD1-CB 4.28Å; F170-F179 HydrophobicContact CD2-CB 3.7Å; F170-F179 AromaticContact CD2-CD1 3.8Å; F170-F179 HydrophobicContact CD2-CD1 3.8Å; F170-F179 AromaticContact CD2-CG 3.76Å; F170-F179 HydrophobicContact CD2-CG 3.76Å; F170-F179 HydrophobicContact CE1-CB 4.45Å; F170-F179 HydrophobicContact CE2-CB 3.88Å; F170-F179 AromaticContact CE2-CD1 3.64Å; F170-F179 HydrophobicContact CE2-CD1 3.64Å; F170-F179 AromaticContact CE2-CG 3.99Å; F170-F179 HydrophobicContact CE2-CG 3.99Å; F170-F179 HydrophobicContact CG-CB 3.91Å; F170-F179 HydrophobicContact CG-CG 4.39Å; F170-F179 HydrophobicContact CZ-CB 4.27Å; F170-P180 VanDerWaalsContact CD1-O 3.24Å; F170-P180 WeakPolarHBondContact CD1-O 3.39Å; F170-P180 HydrophobicContact CE1-CB 4.17Å; F170-P180 HydrophobicContact CE1-CG 4.12Å; F170-P180 HydrophobicContact CZ-CG 4.39Å; F170-V182 HydrophobicContact CB-CG2 3.91Å; F170-V182 HydrophobicContact CD1-CG2 4.43Å; F170-Y190 HydrophobicContact CD1-CE2 4.26Å; F170-V192 HydrophobicContact CD1-CG1 3.99Å; F170-V192 HydrophobicContact CE1-CG1 4.06Å; F170-A254 HydrophobicContact CD2-CB 4.12Å; F170-A254 HydrophobicContact CE2-CB 3.71Å |
| 171 | K | 90.7 | Very high | 92.5 | Very high | 44 Ų | 44 | 26.1 Ų | 26.1 | 19% | 0.191 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -94.9 | -41.8 | -173.7 | -169.3 | 54 | 163 | 160.3 | 0 | 113.5 | S142 I143 Y167 L168 N169 | S142-K171 WeakPolarHBondContact O-CE 3.3Å; S142-K171 PolarHBondContact O-NZ 3.25Å; S142-K171 WeakPolarHBondContact OG-CE 2.89Å; S142-K171 PolarHBondContact OG-NZ 2.95Å; I143-K171 HydrophobicContact CD1-CG 4.19Å; I143-K171 HydrophobicContact CG1-CB 4.41Å; I143-K171 HydrophobicContact CG1-CD 4.47Å; I143-K171 HydrophobicContact CG1-CG 3.42Å; I143-K171 VanDerWaalsContact CG1-CG 3.42Å; Y167-K171 HydrophobicContact CE1-CB 4.42Å; Y167-K171 HydrophobicContact CE1-CG 4.48Å; Y167-K171 WeakPolarHBondContact O-CB 3.25Å; Y167-K171 PolarHBondContact O-N 2.94Å; L168-K171 PolarHBondContact O-N 2.76Å; N169-K171 PolarHBondContact O-N 3.28Å |
| 172 | L | 88 | Confident | 92.5 | Very high | 16 Ų | 16 | 26.8 Ų | 26.8 | 8% | 0.084 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -80.6 | -32.6 | -179.2 | -62.3 | -179.5 | 0 | 0 | 0 | 111.8 | I125 T129 V140 I143 L168 F175 | I125-L172 HydrophobicContact CG2-CD1 3.84Å; T129-L172 HydrophobicContact CG2-CD1 3.91Å; V140-L172 HydrophobicContact CG2-CD2 3.93Å; I143-L172 HydrophobicContact CD1-CD2 3.86Å; L168-L172 HydrophobicContact CB-CD1 4.36Å; L168-L172 HydrophobicContact CD2-CD1 4.18Å; L168-L172 WeakPolarHBondContact O-CB 2.97Å; L168-L172 VanDerWaalsContact O-CG 3.29Å; L168-L172 WeakPolarHBondContact O-CG 3.23Å; L168-L172 PolarHBondContact O-N 2.89Å; L172-F175 WeakPolarHBondContact O-CD1 3.29Å; L172-F175 WeakPolarHBondContact O-CE1 3.42Å |
| 173 | L | 89 | Confident | 92.6 | Very high | 7 Ų | 7 | 29.8 Ų | 29.8 | 4% | 0.037 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -105 | 17.7 | -177.8 | -51.4 | 173.3 | 0 | 0 | 0 | 112.6 | N169 F175 T176 F179 L229 L257 | N169-L173 HydrophobicContact CB-CD1 4.45Å; N169-L173 WeakPolarHBondContact O-CA 3.36Å; N169-L173 VanDerWaalsContact O-CB 3.24Å; N169-L173 WeakPolarHBondContact O-CB 3.28Å; N169-L173 PolarHBondContact O-N 2.76Å; L173-F175 HydrophobicContact CD2-CE1 3.95Å; L173-F175 HydrophobicContact CD2-CZ 4.1Å; L173-F175 PolarHBondContact O-N 3.08Å; L173-F175 VanDerWaalsContact O-N 3.16Å; L173-T176 HydrophobicContact CB-CG2 4.14Å; L173-T176 WeakPolarHBondContact O-CB 3.38Å; L173-T176 WeakPolarHBondContact O-CG2 2.92Å; L173-T176 PolarHBondContact O-N 2.8Å; L173-T176 PolarHBondContact O-OG1 3.42Å; L173-F179 HydrophobicContact CB-CD2 4.36Å; L173-F179 HydrophobicContact CB-CE2 3.71Å; L173-F179 HydrophobicContact CD1-CE2 4.36Å; L173-L229 HydrophobicContact CD1-CD1 3.91Å; L173-L229 HydrophobicContact CD1-CD2 3.66Å; L173-L229 HydrophobicContact CD1-CG 4.45Å; L173-L229 HydrophobicContact CD2-CD2 4.35Å; L173-L257 HydrophobicContact CD1-CD2 3.76Å |
| 174 | D | 89.1 | Confident | 92.6 | Very high | 59 Ų | 59 | 28.4 Ų | 28.4 | 32% | 0.316 | 14% | 0.14 | S | C | . | . | G | 310 helix | trans | -54 | -33.9 | 177.5 | -172.6 | 44.1 | 0 | 0 | 0 | 112 | T176 G177 | D174-T176 PolarHBondContact O-N 2.93Å; D174-T176 VanDerWaalsContact O-N 3.1Å; D174-G177 PolarHBondContact O-N 3.47Å; D174-G177 VanDerWaalsContact O-N 3.11Å |
| 175 | F | 86.7 | Confident | 92.7 | Very high | 120 Ų | 120 | 29.4 Ų | 29.4 | 53% | 0.526 | 15% | 0.146 | S | C | . | . | G | 310 helix | trans | -62.1 | -18.3 | 178.6 | 70.1 | -94.1 | 0 | 0 | 0 | 113.9 | L172 L173 G177 S224 H225 | L172-F175 WeakPolarHBondContact O-CD1 3.29Å; L172-F175 WeakPolarHBondContact O-CE1 3.42Å; L173-F175 HydrophobicContact CD2-CE1 3.95Å; L173-F175 HydrophobicContact CD2-CZ 4.1Å; L173-F175 PolarHBondContact O-N 3.08Å; L173-F175 VanDerWaalsContact O-N 3.16Å; F175-G177 VanDerWaalsContact C-N 3.29Å; F175-S224 VanDerWaalsContact CE2-O 3.29Å; F175-S224 WeakPolarHBondContact CE2-O 3.49Å; F175-H225 HydrophobicContact CZ-CB 4.31Å; F175-H225 AromaticContact CZ-ND1 3.82Å |
| 176 | T | 89.6 | Confident | 92.8 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.012 | 13% | 0.129 | C | C | . | . | G | 310 helix | trans | -77.5 | -16 | 179 | 67 | 0 | 0 | 0 | 0 | 112.9 | L173 D174 L178 T220 S224 L229 F247 | L173-T176 HydrophobicContact CB-CG2 4.14Å; L173-T176 WeakPolarHBondContact O-CB 3.38Å; L173-T176 WeakPolarHBondContact O-CG2 2.92Å; L173-T176 PolarHBondContact O-N 2.8Å; L173-T176 PolarHBondContact O-OG1 3.42Å; D174-T176 PolarHBondContact O-N 2.93Å; D174-T176 VanDerWaalsContact O-N 3.1Å; T176-L178 PolarHBondContact O-N 2.77Å; T176-L178 WeakPolarHBondContact OG1-CB 3.36Å; T176-L178 WeakPolarHBondContact OG1-CG 3.47Å; T176-L178 PolarHBondContact OG1-N 2.87Å; T176-T220 WeakPolarHBondContact O-CG2 3.4Å; T176-S224 VanDerWaalsContact CG2-OG 3.23Å; T176-S224 WeakPolarHBondContact CG2-OG 3.36Å; T176-L229 HydrophobicContact CG2-CD1 4.39Å; T176-F247 VanDerWaalsContact O-CD1 3.25Å; T176-F247 WeakPolarHBondContact O-CD1 3.33Å; T176-F247 WeakPolarHBondContact O-CE1 3.23Å |
| 177 | G | 90.6 | Very high | 92.9 | Very high | 18 Ų | 18 | 25.1 Ų | 25.1 | 19% | 0.186 | 13% | 0.126 | C | C | . | . | S | Bend | trans | 66.7 | 7.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | D174 F175 F179 F247 L250 | D174-G177 PolarHBondContact O-N 3.47Å; D174-G177 VanDerWaalsContact O-N 3.11Å; F175-G177 VanDerWaalsContact C-N 3.29Å; G177-F179 VanDerWaalsContact C-N 3.32Å; G177-F179 PolarHBondContact O-N 3.41Å; G177-F247 WeakPolarHBondContact O-CB 3.2Å; G177-L250 VanDerWaalsContact O-CD2 3.25Å; G177-L250 WeakPolarHBondContact O-CD2 3.01Å |
| 178 | L | 93.1 | Very high | 93 | Very high | 3 Ų | 3 | 25 Ų | 25 | 2% | 0.016 | 13% | 0.126 | C | C | . | . | trans | -78.8 | -11.3 | -175.5 | -70.2 | 173.7 | 0 | 0 | 0 | 114.4 | T176 T217 T220 L221 L229 L250 I251 | T176-L178 PolarHBondContact O-N 2.77Å; T176-L178 WeakPolarHBondContact OG1-CB 3.36Å; T176-L178 WeakPolarHBondContact OG1-CG 3.47Å; T176-L178 PolarHBondContact OG1-N 2.87Å; L178-T217 HydrophobicContact CD2-CG2 3.73Å; L178-T220 HydrophobicContact CD1-CG2 3.85Å; L178-T220 HydrophobicContact CD2-CG2 3.86Å; L178-T220 HydrophobicContact CG-CG2 3.71Å; L178-L221 HydrophobicContact CD1-CD2 3.6Å; L178-L221 HydrophobicContact CD1-CG 3.92Å; L178-L229 HydrophobicContact CD1-CD1 4.11Å; L178-L250 CarbonylContact O-C 3.6Å; L178-L250 WeakPolarHBondContact O-CA 3.41Å; L178-I251 PolarHBondContact O-N 3.04Å | ||
| 179 | F | 94.2 | Very high | 93.2 | Very high | 8 Ų | 8 | 25 Ų | 25 | 4% | 0.035 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -130.3 | 150.7 | -168.6 | -48.3 | -69.2 | 0 | 0 | 0 | 111.5 | F170 L173 G177 K181 I251 A254 L257 | F170-F179 HydrophobicContact CB-CB 4.49Å; F170-F179 HydrophobicContact CD1-CB 4.28Å; F170-F179 HydrophobicContact CD2-CB 3.7Å; F170-F179 AromaticContact CD2-CD1 3.8Å; F170-F179 HydrophobicContact CD2-CD1 3.8Å; F170-F179 AromaticContact CD2-CG 3.76Å; F170-F179 HydrophobicContact CD2-CG 3.76Å; F170-F179 HydrophobicContact CE1-CB 4.45Å; F170-F179 HydrophobicContact CE2-CB 3.88Å; F170-F179 AromaticContact CE2-CD1 3.64Å; F170-F179 HydrophobicContact CE2-CD1 3.64Å; F170-F179 AromaticContact CE2-CG 3.99Å; F170-F179 HydrophobicContact CE2-CG 3.99Å; F170-F179 HydrophobicContact CG-CB 3.91Å; F170-F179 HydrophobicContact CG-CG 4.39Å; F170-F179 HydrophobicContact CZ-CB 4.27Å; L173-F179 HydrophobicContact CB-CD2 4.36Å; L173-F179 HydrophobicContact CB-CE2 3.71Å; L173-F179 HydrophobicContact CD1-CE2 4.36Å; G177-F179 VanDerWaalsContact C-N 3.32Å; G177-F179 PolarHBondContact O-N 3.41Å; F179-K181 PolarHBondContact O-N 3.48Å; F179-I251 HydrophobicContact CD1-CB 3.98Å; F179-I251 HydrophobicContact CD1-CG2 4.47Å; F179-I251 HydrophobicContact CE1-CB 3.88Å; F179-I251 HydrophobicContact CE1-CD1 4.21Å; F179-I251 HydrophobicContact CE1-CG2 4.17Å; F179-A254 HydrophobicContact CD1-CB 3.94Å; F179-A254 HydrophobicContact CE1-CB 3.58Å; F179-A254 HydrophobicContact CZ-CB 4.47Å; F179-L257 HydrophobicContact CE1-CD1 4.19Å; F179-L257 HydrophobicContact CE1-CD2 4.46Å; F179-L257 HydrophobicContact CZ-CD1 4.05Å; F179-L257 HydrophobicContact CZ-CD2 3.81Å |
| 180 | P | 94.6 | Very high | 93.4 | Very high | 6 Ų | 6 | 25 Ų | 25 | 4% | 0.039 | 13% | 0.126 | C | C | . | . | trans | -56.6 | 124.6 | 165.3 | -23 | 33.9 | 0 | 0 | 0 | 110.8 | F170 V182 V192 P193 V195 L250 I251 L252 | F170-P180 VanDerWaalsContact CD1-O 3.24Å; F170-P180 WeakPolarHBondContact CD1-O 3.39Å; F170-P180 HydrophobicContact CE1-CB 4.17Å; F170-P180 HydrophobicContact CE1-CG 4.12Å; F170-P180 HydrophobicContact CZ-CG 4.39Å; P180-V182 PolarHBondContact O-N 3.41Å; P180-V192 HydrophobicContact CB-CB 3.97Å; P180-V192 HydrophobicContact CB-CG1 4.35Å; P180-V192 HydrophobicContact CB-CG2 4.49Å; P180-P193 HydrophobicContact CB-CG 4.39Å; P180-V195 HydrophobicContact CG-CG1 4.41Å; P180-V195 HydrophobicContact CG-CG2 4.35Å; P180-L250 HydrophobicContact CG-CB 4.47Å; P180-L250 HydrophobicContact CG-CD1 4.38Å; P180-I251 WeakPolarHBondContact CD-O 3.29Å; P180-L252 HydrophobicContact CG-CD2 3.81Å | ||
| 181 | K | 93.6 | Very high | 93.5 | Very high | 126 Ų | 126 | 25 Ų | 25 | 55% | 0.548 | 13% | 0.126 | S | C | . | . | trans | -60 | 133.6 | -179.9 | -173.3 | 170.4 | -170.8 | 167.8 | 0 | 111.8 | F179 I183 P193 | F179-K181 PolarHBondContact O-N 3.48Å; K181-I183 PolarHBondContact O-N 3.29Å; K181-P193 WeakPolarHBondContact O-CD 3.36Å | ||
| 182 | V | 95.2 | Very high | 93.8 | Very high | 18 Ų | 18 | 23 Ų | 23 | 11% | 0.109 | 12% | 0.117 | C | C | . | . | trans | -69.5 | 111.5 | 170 | -179.6 | 0 | 0 | 0 | 0 | 109.3 | Y167 F170 P180 T185 Y190 A191 V192 | Y167-V182 HydrophobicContact CE2-CG1 4.26Å; F170-V182 HydrophobicContact CB-CG2 3.91Å; F170-V182 HydrophobicContact CD1-CG2 4.43Å; P180-V182 PolarHBondContact O-N 3.41Å; V182-T185 HydrophobicContact CG1-CG2 4.29Å; V182-Y190 HydrophobicContact CG2-CD2 4.15Å; V182-A191 WeakPolarHBondContact CA-O 3.08Å; V182-V192 HydrophobicContact CG2-CG1 4.43Å | ||
| 183 | I | 94.9 | Very high | 94.1 | Very high | 63 Ų | 63 | 24.5 Ų | 24.5 | 32% | 0.323 | 13% | 0.128 | S | C | . | . | trans | -93.9 | -14.6 | -177.2 | 58 | 172 | 0 | 0 | 0 | 113.1 | Y61 F93 K181 A191 | Y61-I183 HydrophobicContact CE1-CD1 4.09Å; Y61-I183 HydrophobicContact CE1-CG1 4.09Å; Y61-I183 WeakPolarHBondContact CE2-O 3.11Å; Y61-I183 VanDerWaalsContact CZ-O 3.26Å; Y61-I183 PolarHBondContact OH-O 2.99Å; Y61-I183 VanDerWaalsContact OH-O 3.13Å; F93-I183 HydrophobicContact CB-CD1 3.92Å; F93-I183 HydrophobicContact CG-CD1 4.44Å; K181-I183 PolarHBondContact O-N 3.29Å; I183-A191 HydrophobicContact CD1-CB 4.37Å; I183-A191 HydrophobicContact CG1-CB 3.81Å; I183-A191 WeakPolarHBondContact CG1-O 3Å; I183-A191 PolarHBondContact N-O 3.1Å | ||
| 184 | G | 95.3 | Very high | 94.2 | Very high | 4 Ų | 4 | 26.8 Ų | 26.8 | 4% | 0.041 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.9 | 171.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | S60 Y61 Y190 A191 | S60-G184 WeakPolarHBondContact OG-CA 3.33Å; Y61-G184 VanDerWaalsContact CD2-CA 3.5Å; G184-Y190 WeakPolarHBondContact O-CA 3.24Å; G184-A191 PolarHBondContact O-N 2.88Å |
| 185 | T | 96.6 | Very high | 94.2 | Very high | 24 Ų | 24 | 25.5 Ų | 25.5 | 15% | 0.147 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 155 | 178.2 | 61.3 | 0 | 0 | 0 | 0 | 111.4 | G59 S60 Y61 L161 Y167 V182 M189 | G59-T185 CarbonylContact C-O 3.55Å; G59-T185 WeakPolarHBondContact CA-O 3.39Å; S60-T185 PolarHBondContact N-O 3.12Å; S60-T185 PolarHBondContact OG-N 3.48Å; Y61-T185 PolarHBondContact N-O 2.75Å; L161-T185 HydrophobicContact CD1-CG2 3.8Å; L161-T185 HydrophobicContact CD2-CG2 4.32Å; Y167-T185 HydrophobicContact CE2-CG2 4.11Å; V182-T185 HydrophobicContact CG1-CG2 4.29Å; T185-M189 CarbonylContact C-O 3.53Å; T185-M189 WeakPolarHBondContact CA-O 3.42Å |
| 186 | C | 97 | Very high | 94.1 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 111 | 164.1 | -174.8 | 0 | 0 | 0 | 0 | 109.7 | L48 C62 I65 H188 M189 | L48-C186 WeakPolarHBondContact CD1-O 3.42Å; L48-C186 HydrophobicContact CD2-CB 4.15Å; C62-C186 WeakPolarHBondContact CA-SG 3.46Å; C62-C186 HydrophobicContact CB-CB 4.01Å; C62-C186 WeakPolarHBondContact CB-SG 3.48Å; C62-C186 WeakPolarHBondContact SG-CA 3.49Å; C62-C186 WeakPolarHBondContact SG-CB 3.48Å; C62-C186 CovalentContact SG-SG 2.05Å; C62-C186 PolarHBondContact SG-SG 3.3Å; I65-C186 HydrophobicContact CD1-CB 4.29Å; C186-H188 PolarHBondContact O-N 3.09Å; C186-M189 PolarHBondContact N-O 3.17Å; C186-M189 WeakPolarHBondContact O-CB 3.28Å; C186-M189 PolarHBondContact O-N 3.27Å |
| 187 | G | 97.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.1 | -128.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S58 S157 L161 M189 | S58-G187 PolarHBondContact O-N 3.11Å; S157-G187 WeakPolarHBondContact OG-CA 3.34Å; L161-G187 WeakPolarHBondContact CD1-O 3.46Å; L161-G187 VanDerWaalsContact CG-O 3.3Å; L161-G187 WeakPolarHBondContact CG-O 3.43Å; G187-M189 VanDerWaalsContact C-N 3.29Å |
| 188 | H | 97.2 | Very high | 92.8 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.009 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -10.7 | 173.7 | 60 | -55.9 | 0 | 0 | 0 | 113.9 | S97 K99 Q100 F102 F105 A160 L161 Q164 C186 | S97-H188 PolarHBondContact OG-CD2 3.2Å; S97-H188 VanDerWaalsContact OG-CD2 3.29Å; S97-H188 PolarHBondContact OG-O 2.82Å; K99-H188 PolarHBondContact O-CD2 2.86Å; Q100-H188 PolarHBondContact O-NE2 3.35Å; F102-H188 WeakPolarHBondContact CA-ND1 3.24Å; F102-H188 WeakPolarHBondContact CB-ND1 3.44Å; F102-H188 HydrophobicContact CD2-CB 3.91Å; F102-H188 AromaticContact CD2-ND1 3.58Å; F102-H188 PolarHBondContact N-CE1 3.45Å; F102-H188 PolarHBondContact N-NE2 3.28Å; F105-H188 HydrophobicContact CD2-CB 3.74Å; F105-H188 HydrophobicContact CE2-CB 3.43Å; F105-H188 VanDerWaalsContact CE2-CB 3.43Å; F105-H188 AromaticContact CE2-CD2 3.59Å; F105-H188 AromaticContact CE2-CG 3.79Å; F105-H188 HydrophobicContact CZ-CB 4.14Å; A160-H188 HydrophobicContact CB-CB 3.83Å; L161-H188 WeakPolarHBondContact CD2-O 3.3Å; Q164-H188 PolarHBondContact NE2-O 2.89Å; C186-H188 PolarHBondContact O-N 3.09Å |
| 189 | M | 97.5 | Very high | 91.4 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 140.5 | -175.9 | -63.3 | -93.3 | 174.2 | 0 | 0 | 110.5 | I44 L48 A82 L95 K96 S97 Q100 T185 C186 G187 | I44-M189 HydrophobicContact CG2-CE 3.52Å; L48-M189 HydrophobicContact CD1-CG 4.39Å; L48-M189 HydrophobicContact CD2-CB 4.4Å; L48-M189 HydrophobicContact CD2-CG 4.22Å; A82-M189 HydrophobicContact CB-CE 3.43Å; A82-M189 VanDerWaalsContact CB-CE 3.43Å; A82-M189 HydrophobicContact CB-SD 4.02Å; L95-M189 HydrophobicContact CB-SD 4.4Å; L95-M189 HydrophobicContact CD2-CB 4.44Å; K96-M189 WeakPolarHBondContact O-CA 3.39Å; S97-M189 VanDerWaalsContact CB-SD 3.59Å; Q100-M189 WeakPolarHBondContact O-CE 3.46Å; T185-M189 CarbonylContact C-O 3.53Å; T185-M189 WeakPolarHBondContact CA-O 3.42Å; C186-M189 PolarHBondContact N-O 3.17Å; C186-M189 WeakPolarHBondContact O-CB 3.28Å; C186-M189 PolarHBondContact O-N 3.27Å; G187-M189 VanDerWaalsContact C-N 3.29Å |
| 190 | Y | 97.3 | Very high | 89.7 | Confident | 4 Ų | 4 | 34.6 Ų | 34.6 | 2% | 0.016 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 146.3 | 172.3 | 57.5 | -79.4 | 0 | 0 | 0 | 110.7 | L95 K96 L161 E166 Y167 F170 V182 G184 V192 | L95-Y190 CarbonylContact C-O 3.58Å; L95-Y190 WeakPolarHBondContact CA-O 3.26Å; K96-Y190 HydrophobicContact CB-CD2 4.3Å; K96-Y190 HydrophobicContact CB-CE1 3.93Å; K96-Y190 HydrophobicContact CB-CE2 3.7Å; K96-Y190 VanDerWaalsContact CB-CZ 3.47Å; K96-Y190 HydrophobicContact CD-CE2 4.25Å; K96-Y190 HydrophobicContact CG-CE2 4.45Å; K96-Y190 PolarHBondContact N-O 3.11Å; K96-Y190 VanDerWaalsContact O-CD1 3.23Å; K96-Y190 WeakPolarHBondContact O-CD1 3.46Å; K96-Y190 VanDerWaalsContact O-CE1 3.29Å; K96-Y190 WeakPolarHBondContact O-CE1 3.47Å; K96-Y190 PolarHBondContact O-N 3.44Å; K96-Y190 VanDerWaalsContact O-N 3.07Å; L161-Y190 HydrophobicContact CD2-CD1 4.1Å; E166-Y190 VanDerWaalsContact CD-OH 3.23Å; E166-Y190 PolarHBondContact OE1-OH 3.41Å; Y167-Y190 AromaticContact CD2-CD1 3.68Å; Y167-Y190 HydrophobicContact CD2-CD1 3.68Å; Y167-Y190 HydrophobicContact CD2-CD2 4.18Å; Y167-Y190 HydrophobicContact CD2-CE1 4.32Å; Y167-Y190 AromaticContact CD2-CG 3.63Å; Y167-Y190 HydrophobicContact CD2-CG 3.63Å; Y167-Y190 HydrophobicContact CE2-CG 4.31Å; Y167-Y190 HydrophobicContact CG-CD1 4.29Å; F170-Y190 HydrophobicContact CD1-CE2 4.26Å; V182-Y190 HydrophobicContact CG2-CD2 4.15Å; G184-Y190 WeakPolarHBondContact O-CA 3.24Å; Y190-V192 HydrophobicContact CD2-CG1 3.99Å; Y190-V192 HydrophobicContact CE2-CG1 4.25Å |
| 191 | A | 96.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 134.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y61 F93 L94 L95 V182 I183 G184 | Y61-A191 HydrophobicContact CD1-CB 3.75Å; Y61-A191 HydrophobicContact CE1-CB 3.85Å; F93-A191 HydrophobicContact CD2-CB 3.71Å; F93-A191 HydrophobicContact CE2-CB 4.11Å; F93-A191 HydrophobicContact CG-CB 4.41Å; L94-A191 CarbonylContact O-C 3.51Å; L94-A191 VanDerWaalsContact O-CA 3.25Å; L94-A191 WeakPolarHBondContact O-CA 3.37Å; L95-A191 HydrophobicContact CD2-CB 4Å; V182-A191 WeakPolarHBondContact CA-O 3.08Å; I183-A191 HydrophobicContact CD1-CB 4.37Å; I183-A191 HydrophobicContact CG1-CB 3.81Å; I183-A191 WeakPolarHBondContact CG1-O 3Å; I183-A191 PolarHBondContact N-O 3.1Å; G184-A191 PolarHBondContact O-N 2.88Å |
| 192 | V | 96 | Very high | 85.9 | Confident | 3 Ų | 3 | 36.8 Ų | 36.8 | 2% | 0.018 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 151.4 | 173.1 | -62.9 | 0 | 0 | 0 | 0 | 110.2 | F93 L94 K96 F170 P180 V182 Y190 | F93-V192 WeakPolarHBondContact CA-O 3.43Å; F93-V192 WeakPolarHBondContact CB-O 3.43Å; L94-V192 HydrophobicContact CB-CG2 3.89Å; L94-V192 PolarHBondContact N-O 3.15Å; L94-V192 PolarHBondContact O-N 3.36Å; K96-V192 HydrophobicContact CD-CG2 3.95Å; K96-V192 HydrophobicContact CG-CG2 4.35Å; F170-V192 HydrophobicContact CD1-CG1 3.99Å; F170-V192 HydrophobicContact CE1-CG1 4.06Å; P180-V192 HydrophobicContact CB-CB 3.97Å; P180-V192 HydrophobicContact CB-CG1 4.35Å; P180-V192 HydrophobicContact CB-CG2 4.49Å; V182-V192 HydrophobicContact CG2-CG1 4.43Å; Y190-V192 HydrophobicContact CD2-CG1 3.99Å; Y190-V192 HydrophobicContact CE2-CG1 4.25Å |
| 193 | P | 94.7 | Very high | 83.9 | Confident | 47 Ų | 47 | 38.6 Ų | 38.6 | 31% | 0.305 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 150.1 | 175.4 | 26.8 | -34.8 | 0 | 0 | 0 | 111.2 | P180 K181 V195 | P180-P193 HydrophobicContact CB-CG 4.39Å; K181-P193 WeakPolarHBondContact O-CD 3.36Å; P193-V195 PolarHBondContact O-N 3.15Å |
| 194 | I | 91.7 | Very high | 82.1 | Confident | 54 Ų | 54 | 40.4 Ų | 40.4 | 28% | 0.277 | 22% | 0.217 | S | C | . | . | trans | -75.2 | 119.6 | 170.9 | -64.9 | 162.7 | 0 | 0 | 0 | 108.1 | R85 R92 L94 | R85-I194 HydrophobicContact CG-CD1 4.02Å; R92-I194 HydrophobicContact CB-CD1 3.57Å; L94-I194 HydrophobicContact CD2-CG1 3.98Å; L94-I194 HydrophobicContact CG-CG1 3.83Å | ||
| 195 | V | 89.3 | Confident | 80.3 | Confident | 32 Ų | 32 | 40.4 Ų | 40.4 | 19% | 0.194 | 22% | 0.216 | C | C | . | . | trans | -108.4 | 150 | 178 | -60.1 | 0 | 0 | 0 | 0 | 110.5 | P180 P193 A197 L250 L252 | P180-V195 HydrophobicContact CG-CG1 4.41Å; P180-V195 HydrophobicContact CG-CG2 4.35Å; P193-V195 PolarHBondContact O-N 3.15Å; V195-A197 PolarHBondContact O-N 3.33Å; V195-L250 HydrophobicContact CB-CD1 4.45Å; V195-L250 HydrophobicContact CG1-CD1 3.84Å; V195-L252 HydrophobicContact CG2-CD1 3.97Å; V195-L252 HydrophobicContact CG2-CD2 3.26Å; V195-L252 HydrophobicContact CG2-CG 4.26Å | ||
| 196 | K | 84.6 | Confident | 78.5 | Confident | 150 Ų | 150 | 42.1 Ų | 42.1 | 65% | 0.652 | 23% | 0.226 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 123.9 | 179 | -67.9 | 175.6 | -175.8 | 164.8 | 0 | 109.2 | G240 F241 | K196-G240 CarbonylContact O-C 3.53Å; K196-G240 WeakPolarHBondContact O-CA 3.38Å; K196-F241 HydrophobicContact CB-CD2 4.28Å; K196-F241 PolarHBondContact O-N 3.46Å |
| 197 | A | 80.3 | Confident | 76.9 | Confident | 41 Ų | 41 | 44.6 Ų | 44.6 | 34% | 0.339 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 142.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V195 S200 L239 | V195-A197 PolarHBondContact O-N 3.33Å; A197-S200 PolarHBondContact O-OG 3.03Å; A197-L239 CarbonylContact C-O 3.6Å; A197-L239 WeakPolarHBondContact CA-O 3.31Å |
| 198 | Y | 72.1 | Confident | 75.4 | Confident | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.008 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -66.4 | -36.1 | -175.4 | -175.7 | -97.5 | 0 | 0 | 0 | 113.9 | S200 Q201 L205 L239 F241 Y249 | Y198-S200 PolarHBondContact O-N 2.82Å; Y198-Q201 WeakPolarHBondContact O-CA 3.2Å; Y198-Q201 WeakPolarHBondContact O-CB 3.44Å; Y198-Q201 PolarHBondContact O-N 2.92Å; Y198-L205 HydrophobicContact CE1-CG 4.35Å; Y198-L205 HydrophobicContact CE2-CD2 4.11Å; Y198-L205 VanDerWaalsContact OH-CD2 3.29Å; Y198-L205 WeakPolarHBondContact OH-CD2 3.37Å; Y198-L205 WeakPolarHBondContact OH-CG 3.49Å; Y198-L205 PolarHBondContact OH-N 2.83Å; Y198-L239 WeakPolarHBondContact CB-O 3.47Å; Y198-L239 HydrophobicContact CD1-CD1 4.49Å; Y198-L239 HydrophobicContact CG-CB 4.12Å; Y198-L239 HydrophobicContact CG-CD1 4.38Å; Y198-L239 PolarHBondContact N-O 3.26Å; Y198-F241 AromaticContact CD2-CE1 3.9Å; Y198-F241 HydrophobicContact CD2-CE1 3.9Å; Y198-F241 AromaticContact CD2-CE2 3.86Å; Y198-F241 HydrophobicContact CD2-CE2 3.86Å; Y198-F241 AromaticContact CD2-CZ 3.35Å; Y198-F241 HydrophobicContact CD2-CZ 3.35Å; Y198-F241 HydrophobicContact CE2-CE1 4.12Å; Y198-F241 AromaticContact CE2-CZ 3.7Å; Y198-F241 HydrophobicContact CE2-CZ 3.7Å; Y198-F241 HydrophobicContact CG-CZ 4.4Å; Y198-Y249 HydrophobicContact CD2-CD1 4.21Å; Y198-Y249 AromaticContact CD2-CE1 3.6Å; Y198-Y249 HydrophobicContact CD2-CE1 3.6Å; Y198-Y249 AromaticContact CE2-CE1 3.6Å; Y198-Y249 HydrophobicContact CE2-CE1 3.6Å |
| 199 | T | 63.9 | Low | 74.3 | Confident | 62 Ų | 62 | 52 Ų | 52 | 38% | 0.38 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -65 | -13.5 | -177.3 | 52 | 0 | 0 | 0 | 0 | 115.4 | Q201 S236 L237 | T199-Q201 PolarHBondContact O-N 3.43Å; T199-S236 WeakPolarHBondContact CG2-O 3.38Å; T199-L237 HydrophobicContact CG2-CB 4.49Å; T199-L237 HydrophobicContact CG2-CD2 3.51Å; T199-L237 HydrophobicContact CG2-CG 4.02Å |
| 200 | S | 57.3 | Low | 73.3 | Confident | 88 Ų | 88 | 52.3 Ų | 52.3 | 62% | 0.615 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -60.5 | -8.8 | 166.4 | 63.1 | 0 | 0 | 0 | 0 | 113.1 | A197 Y198 | A197-S200 PolarHBondContact O-OG 3.03Å; Y198-S200 PolarHBondContact O-N 2.82Å |
| 201 | Q | 53.9 | Low | 72.4 | Confident | 74 Ų | 74 | 52.2 Ų | 52.2 | 35% | 0.346 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -137 | 54.9 | -165.8 | -89.6 | -177.3 | 77.2 | 0 | 0 | 111.9 | Y198 T199 F204 F241 | Y198-Q201 WeakPolarHBondContact O-CA 3.2Å; Y198-Q201 WeakPolarHBondContact O-CB 3.44Å; Y198-Q201 PolarHBondContact O-N 2.92Å; T199-Q201 PolarHBondContact O-N 3.43Å; Q201-F204 HydrophobicContact CB-CD2 3.46Å; Q201-F204 VanDerWaalsContact CB-CD2 3.46Å; Q201-F204 HydrophobicContact CB-CE2 4.03Å; Q201-F204 HydrophobicContact CB-CG 4.47Å; Q201-F204 HydrophobicContact CG-CD2 3.82Å; Q201-F204 HydrophobicContact CG-CE2 4.06Å; Q201-F204 WeakPolarHBondContact O-CB 3.24Å; Q201-F204 WeakPolarHBondContact O-CD2 3.34Å; Q201-F204 PolarHBondContact O-N 2.88Å; Q201-F241 HydrophobicContact CB-CE2 4.39Å; Q201-F241 HydrophobicContact CB-CZ 4.27Å |
| 202 | W | 54.2 | Low | 71.8 | Confident | 103 Ų | 103 | 54.6 Ų | 54.6 | 39% | 0.39 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 139.9 | 166.9 | -175.5 | -94.6 | 0 | 0 | 0 | 111.5 | F310 P312 W314 | W202-F310 WeakPolarHBondContact CH2-O 3Å; W202-F310 WeakPolarHBondContact CZ3-O 3.3Å; W202-P312 HydrophobicContact CH2-CG 4.21Å; W202-P312 HydrophobicContact CZ2-CG 3.84Å; W202-W314 HydrophobicContact CZ2-CH2 4.47Å; W202-W314 HydrophobicContact CZ2-CZ2 4.31Å |
| 203 | P | 53.5 | Low | 71.2 | Confident | 57 Ų | 57 | 58.4 Ų | 58.4 | 37% | 0.37 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -97.1 | 100.9 | -3 | 33.2 | -25.5 | 0 | 0 | 0 | 112 | T206 | P203-T206 HydrophobicContact CB-CG2 4.13Å; P203-T206 VanDerWaalsContact O-CG2 3.3Å; P203-T206 WeakPolarHBondContact O-CG2 3.38Å; P203-T206 PolarHBondContact O-OG1 3.44Å |
| 204 | F | 56.8 | Low | 70.7 | Confident | 101 Ų | 101 | 56.2 Ų | 56.2 | 44% | 0.443 | 31% | 0.313 | S | S | . | . | trans | -120.5 | 2.4 | -176.1 | -61 | -66.7 | 0 | 0 | 0 | 116.9 | Q201 T206 A210 | Q201-F204 HydrophobicContact CB-CD2 3.46Å; Q201-F204 VanDerWaalsContact CB-CD2 3.46Å; Q201-F204 HydrophobicContact CB-CE2 4.03Å; Q201-F204 HydrophobicContact CB-CG 4.47Å; Q201-F204 HydrophobicContact CG-CD2 3.82Å; Q201-F204 HydrophobicContact CG-CE2 4.06Å; Q201-F204 WeakPolarHBondContact O-CB 3.24Å; Q201-F204 WeakPolarHBondContact O-CD2 3.34Å; Q201-F204 PolarHBondContact O-N 2.88Å; F204-T206 PolarHBondContact O-N 3.33Å; F204-A210 WeakPolarHBondContact O-CB 3.28Å | ||
| 205 | L | 58.9 | Low | 70.6 | Confident | 3 Ų | 3 | 54.9 Ų | 54.9 | 2% | 0.016 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -0.3 | 163 | -69.7 | -173.5 | 0 | 0 | 0 | 112.3 | Y198 F214 F310 L325 | Y198-L205 HydrophobicContact CE1-CG 4.35Å; Y198-L205 HydrophobicContact CE2-CD2 4.11Å; Y198-L205 VanDerWaalsContact OH-CD2 3.29Å; Y198-L205 WeakPolarHBondContact OH-CD2 3.37Å; Y198-L205 WeakPolarHBondContact OH-CG 3.49Å; Y198-L205 PolarHBondContact OH-N 2.83Å; L205-F214 HydrophobicContact CD2-CB 4.12Å; L205-F214 HydrophobicContact CD2-CD2 4.03Å; L205-F214 HydrophobicContact CD2-CG 4.12Å; L205-F310 HydrophobicContact CD1-CB 4.25Å; L205-F310 HydrophobicContact CD1-CD1 4.41Å; L205-L325 HydrophobicContact CB-CD2 3.83Å; L205-L325 HydrophobicContact CD1-CD2 3.59Å; L205-L325 HydrophobicContact CG-CD2 4.27Å |
| 206 | T | 57.7 | Low | 70.5 | Confident | 60 Ų | 60 | 56.9 Ų | 56.9 | 37% | 0.368 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -21.6 | -173.2 | 70.5 | 0 | 0 | 0 | 0 | 112.7 | P203 F204 Y315 | P203-T206 HydrophobicContact CB-CG2 4.13Å; P203-T206 VanDerWaalsContact O-CG2 3.3Å; P203-T206 WeakPolarHBondContact O-CG2 3.38Å; P203-T206 PolarHBondContact O-OG1 3.44Å; F204-T206 PolarHBondContact O-N 3.33Å; T206-Y315 WeakPolarHBondContact CA-OH 3.41Å; T206-Y315 WeakPolarHBondContact CB-OH 2.98Å; T206-Y315 HydrophobicContact CG2-CE2 3.37Å; T206-Y315 WeakPolarHBondContact CG2-OH 3.24Å |
| 207 | S | 64.5 | Low | 70.8 | Confident | 52 Ų | 52 | 50 Ų | 50 | 36% | 0.364 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -73.6 | 139.3 | 172.3 | 77.1 | 0 | 0 | 0 | 0 | 109.1 | S209 A210 A211 | S207-S209 PolarHBondContact O-N 2.82Å; S207-S209 PolarHBondContact OG-OG 3.11Å; S207-A210 PolarHBondContact O-N 3.46Å; S207-A210 WeakPolarHBondContact OG-CB 3.42Å; S207-A210 PolarHBondContact OG-N 2.7Å; S207-A211 PolarHBondContact O-N 3.31Å |
| 208 | S | 64.6 | Low | 71.4 | Confident | 88 Ų | 88 | 48.1 Ų | 48.1 | 62% | 0.615 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -53.9 | -38.8 | 179.5 | 49.6 | 0 | 0 | 0 | 0 | 111.8 | D212 | S208-D212 WeakPolarHBondContact O-CB 3.37Å; S208-D212 PolarHBondContact O-N 3.39Å |
| 209 | S | 75 | Confident | 72.4 | Confident | 69 Ų | 69 | 51.5 Ų | 51.5 | 48% | 0.483 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -68.1 | -39.2 | 177.7 | 62 | 0 | 0 | 0 | 0 | 113.2 | S207 K213 | S207-S209 PolarHBondContact O-N 2.82Å; S207-S209 PolarHBondContact OG-OG 3.11Å; S209-K213 WeakPolarHBondContact O-CB 3.48Å; S209-K213 WeakPolarHBondContact O-CD 3.26Å; S209-K213 WeakPolarHBondContact O-CG 3.4Å; S209-K213 PolarHBondContact O-N 2.89Å |
| 210 | A | 76.3 | Confident | 73.8 | Confident | 9 Ų | 9 | 49.9 Ų | 49.9 | 7% | 0.074 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69 | -41.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | F204 S207 K213 F214 Y249 | F204-A210 WeakPolarHBondContact O-CB 3.28Å; S207-A210 PolarHBondContact O-N 3.46Å; S207-A210 WeakPolarHBondContact OG-CB 3.42Å; S207-A210 PolarHBondContact OG-N 2.7Å; A210-K213 PolarHBondContact O-N 3.26Å; A210-F214 WeakPolarHBondContact O-CB 3.43Å; A210-F214 PolarHBondContact O-N 3.31Å; A210-Y249 WeakPolarHBondContact CB-OH 3.47Å |
| 211 | A | 79 | Confident | 75.6 | Confident | 2 Ų | 2 | 45.7 Ų | 45.7 | 2% | 0.017 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60 | -46.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | S207 F214 I215 R324 L325 | S207-A211 PolarHBondContact O-N 3.31Å; A211-F214 PolarHBondContact O-N 2.96Å; A211-I215 VanDerWaalsContact O-CG1 3.28Å; A211-I215 WeakPolarHBondContact O-CG1 3.47Å; A211-I215 PolarHBondContact O-N 2.91Å; A211-R324 HydrophobicContact CB-CB 4.31Å; A211-L325 HydrophobicContact CB-CB 4.28Å |
| 212 | D | 82.7 | Confident | 77.5 | Confident | 50 Ų | 50 | 45.4 Ų | 45.4 | 27% | 0.267 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.1 | -47.3 | 178.2 | -72.6 | -14.2 | 0 | 0 | 0 | 111.7 | S208 F214 I215 L216 R324 | S208-D212 WeakPolarHBondContact O-CB 3.37Å; S208-D212 PolarHBondContact O-N 3.39Å; D212-F214 PolarHBondContact O-N 3.41Å; D212-I215 WeakPolarHBondContact O-CB 3.47Å; D212-I215 PolarHBondContact O-N 3.49Å; D212-L216 WeakPolarHBondContact O-CG 3.46Å; D212-L216 PolarHBondContact O-N 3.27Å; D212-R324 WeakPolarHBondContact OD1-CD 3.44Å; D212-R324 IonicContact OD1-CZ 2.71Å; D212-R324 IonicContact OD1-NE 2.96Å; D212-R324 IonicContact OD1-NH1 2.58Å; D212-R324 PolarHBondContact OD1-NH1 2.93Å; D212-R324 IonicContact OD2-NH1 2.68Å; D212-R324 PolarHBondContact OD2-NH1 2.91Å |
| 213 | K | 84 | Confident | 79.3 | Confident | 83 Ų | 83 | 47.9 Ų | 47.9 | 36% | 0.361 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -57.3 | -38 | 175.1 | -79.2 | 179.8 | 167.2 | -161.6 | 0 | 112.6 | S209 A210 L216 T217 P248 Y249 | S209-K213 WeakPolarHBondContact O-CB 3.48Å; S209-K213 WeakPolarHBondContact O-CD 3.26Å; S209-K213 WeakPolarHBondContact O-CG 3.4Å; S209-K213 PolarHBondContact O-N 2.89Å; A210-K213 PolarHBondContact O-N 3.26Å; K213-L216 WeakPolarHBondContact O-CB 3.47Å; K213-L216 PolarHBondContact O-N 2.96Å; K213-T217 PolarHBondContact O-N 3.47Å; K213-T217 PolarHBondContact O-OG1 2.8Å; K213-P248 HydrophobicContact CB-CB 3.82Å; K213-P248 HydrophobicContact CB-CG 3.35Å; K213-P248 HydrophobicContact CD-CB 3.55Å; K213-P248 HydrophobicContact CD-CG 3.97Å; K213-P248 HydrophobicContact CG-CB 3.77Å; K213-P248 HydrophobicContact CG-CG 3.56Å; K213-Y249 HydrophobicContact CB-CD2 4.18Å; K213-Y249 HydrophobicContact CB-CE2 3.64Å |
| 214 | F | 85.3 | Confident | 80.8 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -76.5 | -35.6 | 178.7 | -161.4 | -88.6 | 0 | 0 | 0 | 112.3 | L205 A210 A211 D212 L216 T217 L218 W231 L239 Y249 V306 F310 | L205-F214 HydrophobicContact CD2-CB 4.12Å; L205-F214 HydrophobicContact CD2-CD2 4.03Å; L205-F214 HydrophobicContact CD2-CG 4.12Å; A210-F214 WeakPolarHBondContact O-CB 3.43Å; A210-F214 PolarHBondContact O-N 3.31Å; A211-F214 PolarHBondContact O-N 2.96Å; D212-F214 PolarHBondContact O-N 3.41Å; F214-L216 VanDerWaalsContact C-N 3.28Å; F214-L216 PolarHBondContact O-N 2.87Å; F214-T217 WeakPolarHBondContact O-CB 3.47Å; F214-T217 PolarHBondContact O-N 3.46Å; F214-L218 HydrophobicContact CD1-CD1 4.05Å; F214-L218 HydrophobicContact CD1-CG 4.26Å; F214-L218 HydrophobicContact CE1-CD1 3.97Å; F214-L218 HydrophobicContact CE1-CD2 4.4Å; F214-L218 HydrophobicContact CE1-CG 3.99Å; F214-L218 PolarHBondContact O-N 3.45Å; F214-W231 HydrophobicContact CZ-CZ3 4.43Å; F214-L239 HydrophobicContact CD2-CD1 4.41Å; F214-L239 HydrophobicContact CE2-CD1 3.54Å; F214-L239 HydrophobicContact CE2-CD2 4.46Å; F214-L239 HydrophobicContact CZ-CD1 4.32Å; F214-Y249 HydrophobicContact CB-CD2 4.09Å; F214-Y249 HydrophobicContact CB-CE2 3.76Å; F214-Y249 AromaticContact CD2-CD2 3.73Å; F214-Y249 HydrophobicContact CD2-CD2 3.73Å; F214-Y249 AromaticContact CD2-CE2 3.9Å; F214-Y249 HydrophobicContact CD2-CE2 3.9Å; F214-Y249 HydrophobicContact CD2-CG 4.13Å; F214-Y249 HydrophobicContact CG-CD2 4.39Å; F214-Y249 HydrophobicContact CG-CE2 4.36Å; F214-V306 HydrophobicContact CD1-CG1 4.21Å; F214-V306 HydrophobicContact CE1-CB 4.19Å; F214-V306 HydrophobicContact CE1-CG1 3.35Å; F214-V306 HydrophobicContact CE1-CG2 3.88Å; F214-V306 HydrophobicContact CZ-CG1 3.96Å; F214-V306 HydrophobicContact CZ-CG2 4.04Å; F214-F310 HydrophobicContact CZ-CE1 4.5Å |
| 215 | I | 88 | Confident | 82.1 | Confident | 26 Ų | 26 | 43.9 Ų | 43.9 | 13% | 0.133 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.5 | -41.4 | 171.2 | -71.3 | 164 | 0 | 0 | 0 | 110 | A211 D212 T217 L218 Q219 R324 L328 L334 | A211-I215 VanDerWaalsContact O-CG1 3.28Å; A211-I215 WeakPolarHBondContact O-CG1 3.47Å; A211-I215 PolarHBondContact O-N 2.91Å; D212-I215 WeakPolarHBondContact O-CB 3.47Å; D212-I215 PolarHBondContact O-N 3.49Å; I215-T217 VanDerWaalsContact C-N 3.34Å; I215-T217 PolarHBondContact O-N 3.18Å; I215-L218 WeakPolarHBondContact O-CB 3.25Å; I215-L218 PolarHBondContact O-N 2.93Å; I215-L218 VanDerWaalsContact O-N 3.15Å; I215-Q219 HydrophobicContact CG2-CG 4.41Å; I215-Q219 WeakPolarHBondContact O-CG 3.39Å; I215-Q219 PolarHBondContact O-N 3.29Å; I215-R324 HydrophobicContact CD1-CB 4.14Å; I215-L328 HydrophobicContact CG1-CD2 4.05Å; I215-L334 HydrophobicContact CG2-CD2 4.32Å |
| 216 | L | 88.6 | Confident | 83.3 | Confident | 75 Ų | 75 | 48.3 Ų | 48.3 | 39% | 0.393 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58.3 | -45.1 | 173.4 | -68.4 | 172.1 | 0 | 0 | 0 | 111.2 | D212 K213 F214 L218 Q219 T220 | D212-L216 WeakPolarHBondContact O-CG 3.46Å; D212-L216 PolarHBondContact O-N 3.27Å; K213-L216 WeakPolarHBondContact O-CB 3.47Å; K213-L216 PolarHBondContact O-N 2.96Å; F214-L216 VanDerWaalsContact C-N 3.28Å; F214-L216 PolarHBondContact O-N 2.87Å; L216-L218 VanDerWaalsContact C-N 3.3Å; L216-L218 PolarHBondContact O-N 3.11Å; L216-Q219 WeakPolarHBondContact O-CB 3.06Å; L216-Q219 PolarHBondContact O-N 2.93Å; L216-Q219 VanDerWaalsContact O-N 3.1Å; L216-T220 PolarHBondContact O-N 3.38Å; L216-T220 PolarHBondContact O-OG1 3.49Å |
| 217 | T | 90.7 | Very high | 84.8 | Confident | 4 Ų | 4 | 46.6 Ų | 46.6 | 3% | 0.025 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -56.5 | -42.7 | 174.2 | -53.8 | 0 | 0 | 0 | 0 | 112.5 | L178 K213 F214 I215 T220 L221 | L178-T217 HydrophobicContact CD2-CG2 3.73Å; K213-T217 PolarHBondContact O-N 3.47Å; K213-T217 PolarHBondContact O-OG1 2.8Å; F214-T217 WeakPolarHBondContact O-CB 3.47Å; F214-T217 PolarHBondContact O-N 3.46Å; I215-T217 VanDerWaalsContact C-N 3.34Å; I215-T217 PolarHBondContact O-N 3.18Å; T217-T220 PolarHBondContact O-N 2.57Å; T217-L221 WeakPolarHBondContact O-CG 3.46Å; T217-L221 PolarHBondContact O-N 3.13Å |
| 218 | L | 92.6 | Very high | 86.2 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.7 | -37.2 | 176.4 | -72.1 | 171.5 | 0 | 0 | 0 | 112.4 | F214 I215 L216 Q222 N302 V303 V306 L328 L334 | F214-L218 HydrophobicContact CD1-CD1 4.05Å; F214-L218 HydrophobicContact CD1-CG 4.26Å; F214-L218 HydrophobicContact CE1-CD1 3.97Å; F214-L218 HydrophobicContact CE1-CD2 4.4Å; F214-L218 HydrophobicContact CE1-CG 3.99Å; F214-L218 PolarHBondContact O-N 3.45Å; I215-L218 WeakPolarHBondContact O-CB 3.25Å; I215-L218 PolarHBondContact O-N 2.93Å; I215-L218 VanDerWaalsContact O-N 3.15Å; L216-L218 VanDerWaalsContact C-N 3.3Å; L216-L218 PolarHBondContact O-N 3.11Å; L218-Q222 WeakPolarHBondContact O-CB 3.38Å; L218-Q222 PolarHBondContact O-N 3.21Å; L218-Q222 VanDerWaalsContact O-N 3.15Å; L218-N302 HydrophobicContact CD2-CB 3.84Å; L218-V303 HydrophobicContact CD1-CG2 4.24Å; L218-V306 HydrophobicContact CD2-CG2 3.95Å; L218-L328 HydrophobicContact CD1-CD2 3.75Å; L218-L334 HydrophobicContact CB-CD2 3.89Å |
| 219 | Q | 93 | Very high | 87.7 | Confident | 74 Ų | 74 | 41.3 Ų | 41.3 | 35% | 0.346 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -67.3 | -42.1 | 174.5 | -72.2 | 176.4 | -27.6 | 0 | 0 | 111.6 | I215 L216 Q222 Y223 L334 | I215-Q219 HydrophobicContact CG2-CG 4.41Å; I215-Q219 WeakPolarHBondContact O-CG 3.39Å; I215-Q219 PolarHBondContact O-N 3.29Å; L216-Q219 WeakPolarHBondContact O-CB 3.06Å; L216-Q219 PolarHBondContact O-N 2.93Å; L216-Q219 VanDerWaalsContact O-N 3.1Å; Q219-Q222 PolarHBondContact O-N 3.15Å; Q219-Y223 HydrophobicContact CB-CD2 4.24Å; Q219-Y223 WeakPolarHBondContact O-CB 3.25Å; Q219-Y223 VanDerWaalsContact O-CD2 3.28Å; Q219-Y223 WeakPolarHBondContact O-CD2 3.34Å; Q219-Y223 PolarHBondContact O-N 2.85Å; Q219-L334 HydrophobicContact CG-CD1 4.02Å; Q219-L334 HydrophobicContact CG-CD2 3.8Å; Q219-L334 HydrophobicContact CG-CG 4.45Å |
| 220 | T | 92.7 | Very high | 88.7 | Confident | 27 Ų | 27 | 38.5 Ų | 38.5 | 17% | 0.166 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.6 | -50.7 | 174.7 | -57.3 | 0 | 0 | 0 | 0 | 110.2 | T176 L178 L216 T217 Q222 Y223 S224 | T176-T220 WeakPolarHBondContact O-CG2 3.4Å; L178-T220 HydrophobicContact CD1-CG2 3.85Å; L178-T220 HydrophobicContact CD2-CG2 3.86Å; L178-T220 HydrophobicContact CG-CG2 3.71Å; L216-T220 PolarHBondContact O-N 3.38Å; L216-T220 PolarHBondContact O-OG1 3.49Å; T217-T220 PolarHBondContact O-N 2.57Å; T220-Q222 PolarHBondContact O-N 3.24Å; T220-Q222 VanDerWaalsContact O-N 3.11Å; T220-Y223 PolarHBondContact O-N 2.87Å; T220-S224 WeakPolarHBondContact CG2-OG 3.39Å; T220-S224 VanDerWaalsContact O-CB 3.26Å; T220-S224 WeakPolarHBondContact O-CB 3.2Å; T220-S224 PolarHBondContact O-N 3.09Å; T220-S224 PolarHBondContact O-OG 3.26Å |
| 221 | L | 94.7 | Very high | 89.6 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -54.5 | -33.7 | 174.5 | -75.4 | 168.3 | 0 | 0 | 0 | 113 | L178 T217 L229 W231 I251 L257 | L178-L221 HydrophobicContact CD1-CD2 3.6Å; L178-L221 HydrophobicContact CD1-CG 3.92Å; T217-L221 WeakPolarHBondContact O-CG 3.46Å; T217-L221 PolarHBondContact O-N 3.13Å; L221-L229 HydrophobicContact CB-CB 4.49Å; L221-L229 HydrophobicContact CD2-CB 3.7Å; L221-L229 HydrophobicContact CD2-CD1 4.22Å; L221-L229 WeakPolarHBondContact O-CB 3.41Å; L221-L229 PolarHBondContact O-N 2.03Å; L221-W231 HydrophobicContact CD1-CB 4.44Å; L221-W231 HydrophobicContact CD1-CE3 4.2Å; L221-I251 HydrophobicContact CD1-CD1 4.3Å; L221-I251 HydrophobicContact CD2-CD1 4.03Å; L221-L257 HydrophobicContact CD2-CD1 3.79Å |
| 222 | Q | 94 | Very high | 90.4 | Very high | 67 Ų | 67 | 38.1 Ų | 38.1 | 31% | 0.313 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -82.8 | -34.5 | -177.3 | -176 | 63.4 | 31.3 | 0 | 0 | 113.4 | L218 Q219 T220 L334 | L218-Q222 WeakPolarHBondContact O-CB 3.38Å; L218-Q222 PolarHBondContact O-N 3.21Å; L218-Q222 VanDerWaalsContact O-N 3.15Å; Q219-Q222 PolarHBondContact O-N 3.15Å; T220-Q222 PolarHBondContact O-N 3.24Å; T220-Q222 VanDerWaalsContact O-N 3.11Å; Q222-L334 HydrophobicContact CB-CD1 3.76Å; Q222-L334 HydrophobicContact CG-CD1 4.06Å |
| 223 | Y | 92.2 | Very high | 90.9 | Very high | 156 Ų | 156 | 37.6 Ų | 37.6 | 61% | 0.612 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -130 | -10.8 | -162.3 | -56.5 | -61 | 0 | 0 | 0 | 115.5 | Q219 T220 H225 L334 | Q219-Y223 HydrophobicContact CB-CD2 4.24Å; Q219-Y223 WeakPolarHBondContact O-CB 3.25Å; Q219-Y223 VanDerWaalsContact O-CD2 3.28Å; Q219-Y223 WeakPolarHBondContact O-CD2 3.34Å; Q219-Y223 PolarHBondContact O-N 2.85Å; T220-Y223 PolarHBondContact O-N 2.87Å; Y223-H225 VanDerWaalsContact C-N 3.26Å; Y223-H225 PolarHBondContact O-N 2.77Å; Y223-L334 HydrophobicContact CE2-CD1 4.01Å |
| 224 | S | 86.1 | Confident | 91.3 | Very high | 44 Ų | 44 | 33.7 Ų | 33.7 | 31% | 0.308 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -75.7 | -15.5 | -175.1 | 69 | 0 | 0 | 0 | 0 | 113.6 | F175 T176 T220 | F175-S224 VanDerWaalsContact CE2-O 3.29Å; F175-S224 WeakPolarHBondContact CE2-O 3.49Å; T176-S224 VanDerWaalsContact CG2-OG 3.23Å; T176-S224 WeakPolarHBondContact CG2-OG 3.36Å; T220-S224 WeakPolarHBondContact CG2-OG 3.39Å; T220-S224 VanDerWaalsContact O-CB 3.26Å; T220-S224 WeakPolarHBondContact O-CB 3.2Å; T220-S224 PolarHBondContact O-N 3.09Å; T220-S224 PolarHBondContact O-OG 3.26Å |
| 225 | H | 83.6 | Confident | 91.4 | Very high | 30 Ų | 30 | 35.1 Ų | 35.1 | 14% | 0.139 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -119.9 | 166.1 | -178.4 | -175.7 | 54.6 | 0 | 0 | 0 | 110.4 | L131 F175 Y223 E227 | L131-H225 WeakPolarHBondContact CD1-NE2 3.42Å; F175-H225 HydrophobicContact CZ-CB 4.31Å; F175-H225 AromaticContact CZ-ND1 3.82Å; Y223-H225 VanDerWaalsContact C-N 3.26Å; Y223-H225 PolarHBondContact O-N 2.77Å; H225-E227 WeakPolarHBondContact CB-O 3.3Å; H225-E227 PolarHBondContact CD2-O 3.36Å; H225-E227 PolarHBondContact O-N 2.96Å; H225-E227 VanDerWaalsContact O-N 3.11Å |
| 226 | S | 84.8 | Confident | 91.2 | Very high | 95 Ų | 95 | 35.6 Ų | 35.6 | 66% | 0.664 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -58.3 | -24.7 | 179.1 | 49.9 | 0 | 0 | 0 | 0 | 112.7 | ||
| 227 | E | 89.4 | Confident | 91 | Very high | 25 Ų | 25 | 37.4 Ų | 37.4 | 12% | 0.117 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -135.9 | 155.3 | 173.7 | 65.9 | -178.4 | -176.4 | 0 | 0 | 111.1 | H225 T259 Q260 S261 | H225-E227 WeakPolarHBondContact CB-O 3.3Å; H225-E227 PolarHBondContact CD2-O 3.36Å; H225-E227 PolarHBondContact O-N 2.96Å; H225-E227 VanDerWaalsContact O-N 3.11Å; E227-T259 WeakPolarHBondContact OE1-CB 3.31Å; E227-T259 PolarHBondContact OE1-OG1 3.11Å; E227-Q260 HydrophobicContact CB-CB 3.97Å; E227-Q260 HydrophobicContact CG-CB 4.13Å; E227-Q260 PolarHBondContact OE1-N 3.06Å; E227-Q260 WeakPolarHBondContact OE2-CB 3.39Å; E227-S261 VanDerWaalsContact OE1-CB 3.23Å; E227-S261 WeakPolarHBondContact OE1-CB 3.49Å; E227-S261 PolarHBondContact OE1-N 3Å; E227-S261 PolarHBondContact OE1-OG 3.45Å; E227-S261 WeakPolarHBondContact OE2-CB 3.24Å; E227-S261 PolarHBondContact OE2-N 3.49Å; E227-S261 PolarHBondContact OE2-OG 3.36Å |
| 228 | P | 93.1 | Very high | 90.9 | Very high | 29 Ų | 29 | 38.9 Ų | 38.9 | 19% | 0.188 | 21% | 0.209 | C | C | . | . | trans | -65.2 | 144.6 | -178.5 | 27 | -34.5 | 0 | 0 | 0 | 111.3 | Q260 | P228-Q260 HydrophobicContact CG-CB 4.12Å; P228-Q260 PolarHBondContact O-N 3.32Å; P228-Q260 VanDerWaalsContact O-N 3.08Å | ||
| 229 | L | 95.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 122.9 | 172 | -58.5 | 177.6 | 0 | 0 | 0 | 109.4 | L173 T176 L178 L221 L257 Y258 T259 N302 | L173-L229 HydrophobicContact CD1-CD1 3.91Å; L173-L229 HydrophobicContact CD1-CD2 3.66Å; L173-L229 HydrophobicContact CD1-CG 4.45Å; L173-L229 HydrophobicContact CD2-CD2 4.35Å; T176-L229 HydrophobicContact CG2-CD1 4.39Å; L178-L229 HydrophobicContact CD1-CD1 4.11Å; L221-L229 HydrophobicContact CB-CB 4.49Å; L221-L229 HydrophobicContact CD2-CB 3.7Å; L221-L229 HydrophobicContact CD2-CD1 4.22Å; L221-L229 WeakPolarHBondContact O-CB 3.41Å; L221-L229 PolarHBondContact O-N 2.03Å; L229-L257 HydrophobicContact CB-CD2 4.47Å; L229-L257 HydrophobicContact CD1-CD2 4.46Å; L229-L257 HydrophobicContact CD2-CD2 4.45Å; L229-Y258 CarbonylContact C-O 3.49Å; L229-Y258 WeakPolarHBondContact CA-O 3.19Å; L229-T259 HydrophobicContact CD2-CG2 3.87Å; L229-N302 PolarHBondContact O-ND2 3.07Å |
| 230 | H | 96 | Very high | 90.5 | Very high | 10 Ų | 10 | 35.3 Ų | 35.3 | 5% | 0.046 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 111.9 | 177.6 | -61.7 | -35.3 | 0 | 0 | 0 | 110.9 | C232 L257 Y258 Q260 F263 R298 | H230-C232 PolarHBondContact O-N 2.8Å; H230-L257 WeakPolarHBondContact O-CA 3.13Å; H230-Y258 PolarHBondContact N-O 3.01Å; H230-Y258 PolarHBondContact O-N 2.9Å; H230-Q260 PolarHBondContact NE2-OE1 2.88Å; H230-F263 AromaticContact CD2-CG 3.69Å; H230-R298 VanDerWaalsContact CB-NH1 3.31Å; H230-R298 PolarHBondContact ND1-NH1 3.25Å |
| 231 | W | 95.9 | Very high | 90.1 | Very high | 3 Ų | 3 | 36.1 Ų | 36.1 | 1% | 0.011 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 100.5 | 173.7 | -168.7 | 15.7 | 0 | 0 | 0 | 109.5 | F214 L221 D233 A234 L239 I251 L257 N302 F310 | F214-W231 HydrophobicContact CZ-CZ3 4.43Å; L221-W231 HydrophobicContact CD1-CB 4.44Å; L221-W231 HydrophobicContact CD1-CE3 4.2Å; W231-D233 PolarHBondContact NE1-O 3.33Å; W231-A234 HydrophobicContact CD2-CB 3.75Å; W231-A234 HydrophobicContact CE3-CB 3.96Å; W231-A234 HydrophobicContact CG-CB 4.17Å; W231-A234 HydrophobicContact CH2-CB 4.37Å; W231-A234 HydrophobicContact CZ2-CB 4.22Å; W231-A234 HydrophobicContact CZ3-CB 4.27Å; W231-L239 HydrophobicContact CH2-CD2 3.5Å; W231-L239 HydrophobicContact CH2-CG 3.95Å; W231-L239 HydrophobicContact CZ2-CD2 4.3Å; W231-L239 HydrophobicContact CZ3-CD2 4.24Å; W231-I251 HydrophobicContact CD2-CD1 4.03Å; W231-I251 HydrophobicContact CE3-CD1 4.12Å; W231-I251 HydrophobicContact CG-CD1 4.47Å; W231-I251 HydrophobicContact CH2-CG1 4.23Å; W231-I251 HydrophobicContact CZ2-CG1 4.16Å; W231-I251 HydrophobicContact CZ2-CG2 4.03Å; W231-I251 HydrophobicContact CZ3-CD1 4.45Å; W231-I251 HydrophobicContact CZ3-CG1 4.39Å; W231-L257 HydrophobicContact CB-CD1 4.33Å; W231-L257 HydrophobicContact CG-CD1 4.49Å; W231-N302 PolarHBondContact N-OD1 2.79Å; W231-N302 VanDerWaalsContact N-OD1 3.12Å; W231-F310 AromaticContact CH2-CZ 3.92Å; W231-F310 HydrophobicContact CH2-CZ 3.92Å; W231-F310 HydrophobicContact CZ3-CZ 4.32Å |
| 232 | C | 96.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -96 | -11.4 | -171.3 | -59.1 | 0 | 0 | 0 | 0 | 114.3 | H230 M256 F280 F281 D282 C283 | H230-C232 PolarHBondContact O-N 2.8Å; C232-M256 HydrophobicContact CB-CB 4.38Å; C232-M256 WeakPolarHBondContact CB-O 3.07Å; C232-M256 PolarHBondContact N-O 3.1Å; C232-F280 HydrophobicContact CB-CD1 4.09Å; C232-F281 WeakPolarHBondContact O-CB 3.02Å; C232-D282 VanDerWaalsContact O-CB 3.24Å; C232-D282 WeakPolarHBondContact O-CB 3.42Å; C232-D282 PolarHBondContact O-N 3.01Å; C232-C283 WeakPolarHBondContact CA-SG 3.27Å; C232-C283 HydrophobicContact CB-CB 3.79Å; C232-C283 WeakPolarHBondContact CB-SG 3.33Å; C232-C283 WeakPolarHBondContact SG-CB 3.48Å; C232-C283 CovalentContact SG-SG 2.03Å; C232-C283 PolarHBondContact SG-SG 2.87Å |
| 233 | D | 93.9 | Very high | 88.7 | Confident | 38 Ų | 38 | 42.5 Ų | 42.5 | 20% | 0.203 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -124.7 | 68.7 | 168.9 | -170.1 | 30.8 | 0 | 0 | 0 | 110.4 | W231 S235 M256 | W231-D233 PolarHBondContact NE1-O 3.33Å; D233-S235 PolarHBondContact O-N 2.93Å; D233-M256 HydrophobicContact CB-CB 3.7Å; D233-M256 HydrophobicContact CB-CG 3.91Å |
| 234 | A | 91.8 | Very high | 88 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.008 | 22% | 0.22 | C | C | . | . | trans | -80.6 | 120.8 | -176 | 0 | 0 | 0 | 0 | 0 | 110.4 | W231 D282 V305 F310 | W231-A234 HydrophobicContact CD2-CB 3.75Å; W231-A234 HydrophobicContact CE3-CB 3.96Å; W231-A234 HydrophobicContact CG-CB 4.17Å; W231-A234 HydrophobicContact CH2-CB 4.37Å; W231-A234 HydrophobicContact CZ2-CB 4.22Å; W231-A234 HydrophobicContact CZ3-CB 4.27Å; A234-D282 PolarHBondContact N-OD2 2.88Å; A234-V305 HydrophobicContact CB-CG1 3.55Å; A234-F310 HydrophobicContact CB-CE2 3.89Å; A234-F310 HydrophobicContact CB-CZ 4.46Å | ||
| 235 | S | 88.2 | Confident | 87.4 | Confident | 30 Ų | 30 | 40.7 Ų | 40.7 | 21% | 0.21 | 24% | 0.235 | C | C | . | . | trans | -142.6 | 134.7 | -177.6 | 179.3 | 0 | 0 | 0 | 0 | 111.6 | D233 L237 N238 | D233-S235 PolarHBondContact O-N 2.93Å; S235-L237 PolarHBondContact O-N 3.26Å; S235-L237 PolarHBondContact OG-N 3.49Å; S235-N238 PolarHBondContact O-N 2.78Å | ||
| 236 | S | 83.6 | Confident | 87 | Confident | 36 Ų | 36 | 46 Ų | 46 | 25% | 0.252 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -65.6 | -22 | 174.6 | 58.9 | 0 | 0 | 0 | 0 | 113 | T199 N238 F310 | T199-S236 WeakPolarHBondContact CG2-O 3.38Å; S236-N238 PolarHBondContact O-N 3.27Å; S236-F310 VanDerWaalsContact CA-CE1 3.43Å |
| 237 | L | 83.5 | Confident | 86.6 | Confident | 114 Ų | 114 | 44.1 Ų | 44.1 | 60% | 0.597 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -70 | -24.1 | 172.6 | -66 | 164.8 | 0 | 0 | 0 | 112.5 | T199 S235 | T199-L237 HydrophobicContact CG2-CB 4.49Å; T199-L237 HydrophobicContact CG2-CD2 3.51Å; T199-L237 HydrophobicContact CG2-CG 4.02Å; S235-L237 PolarHBondContact O-N 3.26Å; S235-L237 PolarHBondContact OG-N 3.49Å |
| 238 | N | 88.5 | Confident | 86 | Confident | 35 Ų | 35 | 43.1 Ų | 43.1 | 19% | 0.187 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -104.7 | 24.9 | -177.8 | -69.4 | -20.1 | 0 | 0 | 0 | 112.2 | S235 S236 L252 D253 | S235-N238 PolarHBondContact O-N 2.78Å; S236-N238 PolarHBondContact O-N 3.27Å; N238-L252 WeakPolarHBondContact O-CB 3.39Å; N238-L252 PolarHBondContact O-N 2.99Å; N238-D253 HydrophobicContact CB-CB 3.66Å; N238-D253 WeakPolarHBondContact ND2-CB 3.5Å; N238-D253 PolarHBondContact ND2-OD2 2.97Å |
| 239 | L | 88.9 | Confident | 85.8 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 141.6 | 169.5 | -77.8 | -178.1 | 0 | 0 | 0 | 110.8 | A197 Y198 F214 W231 L250 I251 F310 | A197-L239 CarbonylContact C-O 3.6Å; A197-L239 WeakPolarHBondContact CA-O 3.31Å; Y198-L239 WeakPolarHBondContact CB-O 3.47Å; Y198-L239 HydrophobicContact CD1-CD1 4.49Å; Y198-L239 HydrophobicContact CG-CB 4.12Å; Y198-L239 HydrophobicContact CG-CD1 4.38Å; Y198-L239 PolarHBondContact N-O 3.26Å; F214-L239 HydrophobicContact CD2-CD1 4.41Å; F214-L239 HydrophobicContact CE2-CD1 3.54Å; F214-L239 HydrophobicContact CE2-CD2 4.46Å; F214-L239 HydrophobicContact CZ-CD1 4.32Å; W231-L239 HydrophobicContact CH2-CD2 3.5Å; W231-L239 HydrophobicContact CH2-CG 3.95Å; W231-L239 HydrophobicContact CZ2-CD2 4.3Å; W231-L239 HydrophobicContact CZ3-CD2 4.24Å; L239-L250 CarbonylContact C-O 3.12Å; L239-L250 WeakPolarHBondContact CA-O 3.3Å; L239-I251 HydrophobicContact CD2-CG1 4.48Å; L239-F310 HydrophobicContact CD1-CD1 4.27Å; L239-F310 HydrophobicContact CD1-CE1 3.42Å; L239-F310 VanDerWaalsContact CD1-CE1 3.42Å; L239-F310 HydrophobicContact CD1-CZ 4.18Å; L239-F310 HydrophobicContact CG-CE1 4.18Å |
| 240 | G | 89.2 | Confident | 85.7 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 169.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | K196 Y249 L250 | K196-G240 CarbonylContact O-C 3.53Å; K196-G240 WeakPolarHBondContact O-CA 3.38Å; G240-Y249 WeakPolarHBondContact O-CA 3.01Å; G240-L250 PolarHBondContact N-O 2.78Å; G240-L250 PolarHBondContact O-N 3.26Å |
| 241 | F | 84.4 | Confident | 85.6 | Confident | 45 Ų | 45 | 42.1 Ų | 42.1 | 20% | 0.197 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 139.9 | 172.2 | -64.7 | -82.3 | 0 | 0 | 0 | 110.8 | K196 Y198 Q201 P248 Y249 | K196-F241 HydrophobicContact CB-CD2 4.28Å; K196-F241 PolarHBondContact O-N 3.46Å; Y198-F241 AromaticContact CD2-CE1 3.9Å; Y198-F241 HydrophobicContact CD2-CE1 3.9Å; Y198-F241 AromaticContact CD2-CE2 3.86Å; Y198-F241 HydrophobicContact CD2-CE2 3.86Å; Y198-F241 AromaticContact CD2-CZ 3.35Å; Y198-F241 HydrophobicContact CD2-CZ 3.35Å; Y198-F241 HydrophobicContact CE2-CE1 4.12Å; Y198-F241 AromaticContact CE2-CZ 3.7Å; Y198-F241 HydrophobicContact CE2-CZ 3.7Å; Y198-F241 HydrophobicContact CG-CZ 4.4Å; Q201-F241 HydrophobicContact CB-CE2 4.39Å; Q201-F241 HydrophobicContact CB-CZ 4.27Å; F241-P248 WeakPolarHBondContact CA-O 3.28Å; F241-Y249 HydrophobicContact CD1-CD1 4.26Å; F241-Y249 AromaticContact CD1-CE1 3.9Å; F241-Y249 HydrophobicContact CD1-CE1 3.9Å; F241-Y249 HydrophobicContact CE1-CD1 4.29Å; F241-Y249 AromaticContact CE1-CE1 3.52Å; F241-Y249 HydrophobicContact CE1-CE1 3.52Å; F241-Y249 HydrophobicContact CZ-CE1 4.3Å |
| 242 | S | 82 | Confident | 85.4 | Confident | 38 Ų | 38 | 43.4 Ų | 43.4 | 27% | 0.266 | 24% | 0.236 | S | C | . | . | trans | -96.1 | 150.4 | 160.9 | -164.3 | 0 | 0 | 0 | 0 | 109.9 | D244 F247 P248 | S242-D244 VanDerWaalsContact OG-CB 3.29Å; S242-D244 WeakPolarHBondContact OG-CB 3.17Å; S242-D244 PolarHBondContact OG-N 2.69Å; S242-D244 VanDerWaalsContact OG-N 3.11Å; S242-F247 WeakPolarHBondContact CB-O 3.46Å; S242-P248 PolarHBondContact N-O 2.75Å | ||
| 243 | D | 75.9 | Confident | 85.3 | Confident | 163 Ų | 163 | 43.9 Ų | 43.9 | 87% | 0.872 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -76.8 | -11.7 | 165.1 | -63.7 | -40.8 | 0 | 0 | 0 | 111.2 | P245 | D243-P245 WeakPolarHBondContact O-CD 3.34Š|
| 244 | D | 78.4 | Confident | 85.3 | Confident | 66 Ų | 66 | 42.1 Ų | 42.1 | 35% | 0.353 | 23% | 0.229 | S | C | . | . | trans | -71.6 | 119.3 | 174.4 | -166.3 | -34.6 | 0 | 0 | 0 | 110.9 | S242 E246 F247 | S242-D244 VanDerWaalsContact OG-CB 3.29Å; S242-D244 WeakPolarHBondContact OG-CB 3.17Å; S242-D244 PolarHBondContact OG-N 2.69Å; S242-D244 VanDerWaalsContact OG-N 3.11Å; D244-E246 VanDerWaalsContact C-N 3.26Å; D244-E246 PolarHBondContact O-N 2.98Å; D244-E246 WeakPolarHBondContact OD1-CB 3.24Å; D244-E246 PolarHBondContact OD1-N 3.17Å; D244-F247 CarbonylContact O-C 3.58Å; D244-F247 PolarHBondContact O-N 3.01Å | ||
| 245 | P | 72.6 | Confident | 85.4 | Confident | 97 Ų | 97 | 43.9 Ų | 43.9 | 63% | 0.63 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -67.1 | -23.8 | 178.8 | 28.6 | -35.1 | 0 | 0 | 0 | 113.8 | D243 | D243-P245 WeakPolarHBondContact O-CD 3.34Š|
| 246 | E | 74.7 | Confident | 85.8 | Confident | 140 Ų | 140 | 44.4 Ų | 44.4 | 65% | 0.654 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -79 | -30.7 | 178 | -63 | -172.2 | 169.1 | 0 | 0 | 111.9 | D244 P248 | D244-E246 VanDerWaalsContact C-N 3.26Å; D244-E246 PolarHBondContact O-N 2.98Å; D244-E246 WeakPolarHBondContact OD1-CB 3.24Å; D244-E246 PolarHBondContact OD1-N 3.17Å; E246-P248 VanDerWaalsContact O-CD 3.3Å; E246-P248 WeakPolarHBondContact O-CD 3.38Å |
| 247 | F | 77.5 | Confident | 86.3 | Confident | 56 Ų | 56 | 42.7 Ų | 42.7 | 25% | 0.246 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -125.1 | 61.5 | -177.4 | -55.7 | -74.3 | 0 | 0 | 0 | 112.3 | T176 G177 S242 D244 Y249 | T176-F247 VanDerWaalsContact O-CD1 3.25Å; T176-F247 WeakPolarHBondContact O-CD1 3.33Å; T176-F247 WeakPolarHBondContact O-CE1 3.23Å; G177-F247 WeakPolarHBondContact O-CB 3.2Å; S242-F247 WeakPolarHBondContact CB-O 3.46Å; D244-F247 CarbonylContact O-C 3.58Å; D244-F247 PolarHBondContact O-N 3.01Å; F247-Y249 VanDerWaalsContact C-N 3.25Å; F247-Y249 PolarHBondContact O-N 2.77Å; F247-Y249 VanDerWaalsContact O-N 3.16Å |
| 248 | P | 76.7 | Confident | 86.8 | Confident | 5 Ų | 5 | 38.1 Ų | 38.1 | 3% | 0.032 | 20% | 0.2 | C | C | . | . | trans | -64.9 | -26.6 | -166.2 | 27.8 | -39.1 | 0 | 0 | 0 | 114.2 | K213 F241 S242 E246 | K213-P248 HydrophobicContact CB-CB 3.82Å; K213-P248 HydrophobicContact CB-CG 3.35Å; K213-P248 HydrophobicContact CD-CB 3.55Å; K213-P248 HydrophobicContact CD-CG 3.97Å; K213-P248 HydrophobicContact CG-CB 3.77Å; K213-P248 HydrophobicContact CG-CG 3.56Å; F241-P248 WeakPolarHBondContact CA-O 3.28Å; S242-P248 PolarHBondContact N-O 2.75Å; E246-P248 VanDerWaalsContact O-CD 3.3Å; E246-P248 WeakPolarHBondContact O-CD 3.38Å | ||
| 249 | Y | 88.6 | Confident | 87 | Confident | 7 Ų | 7 | 36.6 Ų | 36.6 | 3% | 0.027 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 133.2 | -179.3 | -64.8 | -68 | 0 | 0 | 0 | 111.1 | Y198 A210 K213 F214 G240 F241 F247 | Y198-Y249 HydrophobicContact CD2-CD1 4.21Å; Y198-Y249 AromaticContact CD2-CE1 3.6Å; Y198-Y249 HydrophobicContact CD2-CE1 3.6Å; Y198-Y249 AromaticContact CE2-CE1 3.6Å; Y198-Y249 HydrophobicContact CE2-CE1 3.6Å; A210-Y249 WeakPolarHBondContact CB-OH 3.47Å; K213-Y249 HydrophobicContact CB-CD2 4.18Å; K213-Y249 HydrophobicContact CB-CE2 3.64Å; F214-Y249 HydrophobicContact CB-CD2 4.09Å; F214-Y249 HydrophobicContact CB-CE2 3.76Å; F214-Y249 AromaticContact CD2-CD2 3.73Å; F214-Y249 HydrophobicContact CD2-CD2 3.73Å; F214-Y249 AromaticContact CD2-CE2 3.9Å; F214-Y249 HydrophobicContact CD2-CE2 3.9Å; F214-Y249 HydrophobicContact CD2-CG 4.13Å; F214-Y249 HydrophobicContact CG-CD2 4.39Å; F214-Y249 HydrophobicContact CG-CE2 4.36Å; G240-Y249 WeakPolarHBondContact O-CA 3.01Å; F241-Y249 HydrophobicContact CD1-CD1 4.26Å; F241-Y249 AromaticContact CD1-CE1 3.9Å; F241-Y249 HydrophobicContact CD1-CE1 3.9Å; F241-Y249 HydrophobicContact CE1-CD1 4.29Å; F241-Y249 AromaticContact CE1-CE1 3.52Å; F241-Y249 HydrophobicContact CE1-CE1 3.52Å; F241-Y249 HydrophobicContact CZ-CE1 4.3Å; F247-Y249 VanDerWaalsContact C-N 3.25Å; F247-Y249 PolarHBondContact O-N 2.77Å; F247-Y249 VanDerWaalsContact O-N 3.16Å |
| 250 | L | 92.4 | Very high | 87.3 | Confident | 11 Ų | 11 | 38.4 Ų | 38.4 | 6% | 0.058 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 132.6 | 177.8 | -58.5 | 175.8 | 0 | 0 | 0 | 109.5 | G177 L178 P180 V195 L239 G240 L252 | G177-L250 VanDerWaalsContact O-CD2 3.25Å; G177-L250 WeakPolarHBondContact O-CD2 3.01Å; L178-L250 CarbonylContact O-C 3.6Å; L178-L250 WeakPolarHBondContact O-CA 3.41Å; P180-L250 HydrophobicContact CG-CB 4.47Å; P180-L250 HydrophobicContact CG-CD1 4.38Å; V195-L250 HydrophobicContact CB-CD1 4.45Å; V195-L250 HydrophobicContact CG1-CD1 3.84Å; L239-L250 CarbonylContact C-O 3.12Å; L239-L250 WeakPolarHBondContact CA-O 3.3Å; G240-L250 PolarHBondContact N-O 2.78Å; G240-L250 PolarHBondContact O-N 3.26Å; L250-L252 HydrophobicContact CB-CD2 4.05Å |
| 251 | I | 94.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 116 | 169.3 | -60.7 | 173.5 | 0 | 0 | 0 | 107.2 | L178 F179 P180 L221 W231 L239 D253 A254 L257 | L178-I251 PolarHBondContact O-N 3.04Å; F179-I251 HydrophobicContact CD1-CB 3.98Å; F179-I251 HydrophobicContact CD1-CG2 4.47Å; F179-I251 HydrophobicContact CE1-CB 3.88Å; F179-I251 HydrophobicContact CE1-CD1 4.21Å; F179-I251 HydrophobicContact CE1-CG2 4.17Å; P180-I251 WeakPolarHBondContact CD-O 3.29Å; L221-I251 HydrophobicContact CD1-CD1 4.3Å; L221-I251 HydrophobicContact CD2-CD1 4.03Å; W231-I251 HydrophobicContact CD2-CD1 4.03Å; W231-I251 HydrophobicContact CE3-CD1 4.12Å; W231-I251 HydrophobicContact CG-CD1 4.47Å; W231-I251 HydrophobicContact CH2-CG1 4.23Å; W231-I251 HydrophobicContact CZ2-CG1 4.16Å; W231-I251 HydrophobicContact CZ2-CG2 4.03Å; W231-I251 HydrophobicContact CZ3-CD1 4.45Å; W231-I251 HydrophobicContact CZ3-CG1 4.39Å; L239-I251 HydrophobicContact CD2-CG1 4.48Å; I251-D253 VanDerWaalsContact CG2-O 3.23Å; I251-D253 WeakPolarHBondContact CG2-O 3.21Å; I251-A254 HydrophobicContact CG2-CB 4.16Å; I251-L257 HydrophobicContact CD1-CD1 4.03Å |
| 252 | L | 93.4 | Very high | 87.8 | Confident | 30 Ų | 30 | 38.6 Ų | 38.6 | 16% | 0.157 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -89.9 | -17.2 | -174.1 | -51.7 | -170.7 | 0 | 0 | 0 | 113.4 | K96 P180 V195 N238 L250 | K96-L252 PolarHBondContact NZ-O 2.83Å; P180-L252 HydrophobicContact CG-CD2 3.81Å; V195-L252 HydrophobicContact CG2-CD1 3.97Å; V195-L252 HydrophobicContact CG2-CD2 3.26Å; V195-L252 HydrophobicContact CG2-CG 4.26Å; N238-L252 WeakPolarHBondContact O-CB 3.39Å; N238-L252 PolarHBondContact O-N 2.99Å; L250-L252 HydrophobicContact CB-CD2 4.05Å |
| 253 | D | 92.6 | Very high | 88.4 | Confident | 10 Ų | 10 | 36.8 Ų | 36.8 | 5% | 0.053 | 20% | 0.196 | C | C | . | . | trans | -134.4 | 103.8 | -178.5 | -149.6 | 12.4 | 0 | 0 | 0 | 106.7 | K81 N238 I251 | K81-D253 IonicContact NZ-OD1 2.59Å; K81-D253 PolarHBondContact NZ-OD1 3.07Å; K81-D253 IonicContact NZ-OD2 2.97Å; K81-D253 PolarHBondContact NZ-OD2 2.84Å; N238-D253 HydrophobicContact CB-CB 3.66Å; N238-D253 WeakPolarHBondContact ND2-CB 3.5Å; N238-D253 PolarHBondContact ND2-OD2 2.97Å; I251-D253 VanDerWaalsContact CG2-O 3.23Å; I251-D253 WeakPolarHBondContact CG2-O 3.21Å | ||
| 254 | A | 95 | Very high | 89.3 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | -123.3 | 26.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | E166 N169 F170 F179 I251 M256 L257 | E166-A254 HydrophobicContact CG-CB 4.14Å; N169-A254 HydrophobicContact CB-CB 4.2Å; N169-A254 PolarHBondContact ND2-O 2.65Å; F170-A254 HydrophobicContact CD2-CB 4.12Å; F170-A254 HydrophobicContact CE2-CB 3.71Å; F179-A254 HydrophobicContact CD1-CB 3.94Å; F179-A254 HydrophobicContact CE1-CB 3.58Å; F179-A254 HydrophobicContact CZ-CB 4.47Å; I251-A254 HydrophobicContact CG2-CB 4.16Å; A254-M256 VanDerWaalsContact C-N 3.3Å; A254-L257 HydrophobicContact CB-CB 4Å; A254-L257 PolarHBondContact O-N 3Å | ||
| 255 | D | 94.1 | Very high | 90 | Very high | 39 Ų | 39 | 28.5 Ų | 28.5 | 21% | 0.209 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -35.2 | 172.6 | 58.4 | -8.5 | 0 | 0 | 0 | 111.8 | E165 E166 | E165-D255 VanDerWaalsContact CB-O 3.31Å; E165-D255 WeakPolarHBondContact CB-O 3.15Å; E166-D255 HydrophobicContact CB-CB 4.28Å |
| 256 | M | 94.8 | Very high | 91 | Very high | 40 Ų | 40 | 26.3 Ų | 26.3 | 20% | 0.197 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 35.9 | 176.3 | -51.8 | -52.3 | 179.7 | 0 | 0 | 112.4 | C232 D233 A254 Y258 F280 F281 | C232-M256 HydrophobicContact CB-CB 4.38Å; C232-M256 WeakPolarHBondContact CB-O 3.07Å; C232-M256 PolarHBondContact N-O 3.1Å; D233-M256 HydrophobicContact CB-CB 3.7Å; D233-M256 HydrophobicContact CB-CG 3.91Å; A254-M256 VanDerWaalsContact C-N 3.3Å; M256-Y258 HydrophobicContact CB-CE2 4.36Å; M256-F280 HydrophobicContact CB-CE1 4.14Å; M256-F280 HydrophobicContact CE-CZ 4.18Å; M256-F280 HydrophobicContact CG-CE1 4.08Å; M256-F280 HydrophobicContact SD-CE1 3.38Å; M256-F280 WeakPolarHBondContact SD-CE1 3.43Å; M256-F280 HydrophobicContact SD-CZ 3.43Å; M256-F280 WeakPolarHBondContact SD-CZ 3.5Å; M256-F281 HydrophobicContact CE-CE2 3.81Å; M256-F281 HydrophobicContact CE-CZ 4.04Å; M256-F281 HydrophobicContact CG-CD2 4.43Å; M256-F281 HydrophobicContact CG-CE2 4.35Å; M256-F281 HydrophobicContact SD-CE2 4.25Å |
| 257 | L | 95.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 127.8 | 170.5 | -175.5 | 128.4 | 0 | 0 | 0 | 109.2 | N169 L173 F179 L221 L229 H230 W231 I251 A254 | N169-L257 HydrophobicContact CB-CD2 4.22Å; N169-L257 PolarHBondContact ND2-O 3.16Å; L173-L257 HydrophobicContact CD1-CD2 3.76Å; F179-L257 HydrophobicContact CE1-CD1 4.19Å; F179-L257 HydrophobicContact CE1-CD2 4.46Å; F179-L257 HydrophobicContact CZ-CD1 4.05Å; F179-L257 HydrophobicContact CZ-CD2 3.81Å; L221-L257 HydrophobicContact CD2-CD1 3.79Å; L229-L257 HydrophobicContact CB-CD2 4.47Å; L229-L257 HydrophobicContact CD1-CD2 4.46Å; L229-L257 HydrophobicContact CD2-CD2 4.45Å; H230-L257 WeakPolarHBondContact O-CA 3.13Å; W231-L257 HydrophobicContact CB-CD1 4.33Å; W231-L257 HydrophobicContact CG-CD1 4.49Å; I251-L257 HydrophobicContact CD1-CD1 4.03Å; A254-L257 HydrophobicContact CB-CB 4Å; A254-L257 PolarHBondContact O-N 3Å |
| 258 | Y | 94.4 | Very high | 92.6 | Very high | 18 Ų | 18 | 19.5 Ų | 19.5 | 7% | 0.071 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 147.5 | -176 | -60.6 | -82.4 | 0 | 0 | 0 | 110.3 | L229 H230 M256 L266 F280 | L229-Y258 CarbonylContact C-O 3.49Å; L229-Y258 WeakPolarHBondContact CA-O 3.19Å; H230-Y258 PolarHBondContact N-O 3.01Å; H230-Y258 PolarHBondContact O-N 2.9Å; M256-Y258 HydrophobicContact CB-CE2 4.36Å; Y258-L266 HydrophobicContact CE1-CD2 4.37Å; Y258-L266 HydrophobicContact CE2-CD2 4.32Å; Y258-F280 AromaticContact CE2-CD1 3.96Å; Y258-F280 HydrophobicContact CE2-CD1 3.96Å; Y258-F280 AromaticContact CE2-CE1 3.58Å; Y258-F280 HydrophobicContact CE2-CE1 3.58Å; Y258-F280 HydrophobicContact CE2-CZ 4.44Å; Y258-F280 AromaticContact CZ-CE1 3.89Å; Y258-F280 WeakPolarHBondContact OH-CE1 2.99Å; Y258-F280 WeakPolarHBondContact OH-CZ 3.36Å |
| 259 | T | 92.9 | Very high | 93.4 | Very high | 3 Ų | 3 | 26 Ų | 26 | 2% | 0.018 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 166.1 | 160.5 | 75 | 0 | 0 | 0 | 0 | 109.7 | T129 L131 E227 L229 S261 G262 F263 | T129-T259 PolarHBondContact O-OG1 3.22Å; L131-T259 HydrophobicContact CD1-CG2 4.43Å; E227-T259 WeakPolarHBondContact OE1-CB 3.31Å; E227-T259 PolarHBondContact OE1-OG1 3.11Å; L229-T259 HydrophobicContact CD2-CG2 3.87Å; T259-S261 VanDerWaalsContact C-N 3.28Å; T259-S261 PolarHBondContact O-N 3.23Å; T259-G262 PolarHBondContact O-N 2.87Å; T259-G262 PolarHBondContact OG1-N 2.97Å; T259-G262 VanDerWaalsContact OG1-N 3.14Å; T259-F263 WeakPolarHBondContact O-CB 3.23Å; T259-F263 PolarHBondContact O-N 3Å |
| 260 | Q | 93.5 | Very high | 93.7 | Very high | 38 Ų | 38 | 27.6 Ų | 27.6 | 18% | 0.178 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59 | -38.6 | 177.2 | 175.3 | 57.8 | 81.4 | 0 | 0 | 112.4 | E227 P228 H230 G264 S296 | E227-Q260 HydrophobicContact CB-CB 3.97Å; E227-Q260 HydrophobicContact CG-CB 4.13Å; E227-Q260 PolarHBondContact OE1-N 3.06Å; E227-Q260 WeakPolarHBondContact OE2-CB 3.39Å; P228-Q260 HydrophobicContact CG-CB 4.12Å; P228-Q260 PolarHBondContact O-N 3.32Å; P228-Q260 VanDerWaalsContact O-N 3.08Å; H230-Q260 PolarHBondContact NE2-OE1 2.88Å; Q260-G264 PolarHBondContact O-N 2.94Å; Q260-S296 PolarHBondContact NE2-O 3.11Å |
| 261 | S | 92.4 | Very high | 94 | Very high | 46 Ų | 46 | 31.5 Ų | 31.5 | 32% | 0.322 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -71 | -40.8 | 177.9 | -64.8 | 0 | 0 | 0 | 0 | 112.2 | E227 T259 G264 S265 | E227-S261 VanDerWaalsContact OE1-CB 3.23Å; E227-S261 WeakPolarHBondContact OE1-CB 3.49Å; E227-S261 PolarHBondContact OE1-N 3Å; E227-S261 PolarHBondContact OE1-OG 3.45Å; E227-S261 WeakPolarHBondContact OE2-CB 3.24Å; E227-S261 PolarHBondContact OE2-N 3.49Å; E227-S261 PolarHBondContact OE2-OG 3.36Å; T259-S261 VanDerWaalsContact C-N 3.28Å; T259-S261 PolarHBondContact O-N 3.23Å; S261-G264 PolarHBondContact O-N 3.45Å; S261-S265 WeakPolarHBondContact O-CB 3.48Å; S261-S265 PolarHBondContact O-N 3.04Å; S261-S265 PolarHBondContact O-OG 3.21Å |
| 262 | G | 92.7 | Very high | 94.1 | Very high | 3 Ų | 3 | 32 Ų | 32 | 3% | 0.031 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.4 | -47.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | H128 T129 T259 G264 S265 L266 | H128-G262 WeakPolarHBondContact O-CA 3.46Å; T129-G262 PolarHBondContact O-N 3.37Å; T259-G262 PolarHBondContact O-N 2.87Å; T259-G262 PolarHBondContact OG1-N 2.97Å; T259-G262 VanDerWaalsContact OG1-N 3.14Å; G262-G264 PolarHBondContact O-N 2.89Å; G262-S265 PolarHBondContact O-N 2.67Å; G262-L266 PolarHBondContact O-N 2.04Å |
| 263 | F | 95 | Very high | 94.3 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.1 | -45.8 | 174.5 | 174.9 | -94.1 | 0 | 0 | 0 | 111.8 | H230 T259 S265 L266 M267 C283 A285 R298 | H230-F263 AromaticContact CD2-CG 3.69Å; T259-F263 WeakPolarHBondContact O-CB 3.23Å; T259-F263 PolarHBondContact O-N 3Å; F263-S265 VanDerWaalsContact C-N 3.3Å; F263-S265 PolarHBondContact O-N 2.97Å; F263-L266 WeakPolarHBondContact O-CB 3.35Å; F263-L266 PolarHBondContact O-N 2.77Å; F263-L266 VanDerWaalsContact O-N 3.16Å; F263-M267 HydrophobicContact CD1-CG 3.94Å; F263-M267 HydrophobicContact CD2-CE 3.72Å; F263-M267 HydrophobicContact CD2-CG 4.33Å; F263-M267 HydrophobicContact CE1-CG 3.44Å; F263-M267 VanDerWaalsContact CE1-CG 3.44Å; F263-M267 HydrophobicContact CE1-SD 4.27Å; F263-M267 HydrophobicContact CE2-CE 3.2Å; F263-M267 HydrophobicContact CE2-CG 3.89Å; F263-M267 HydrophobicContact CE2-SD 3.83Å; F263-M267 HydrophobicContact CG-CG 4.35Å; F263-M267 HydrophobicContact CZ-CE 3.67Å; F263-M267 HydrophobicContact CZ-CG 3.42Å; F263-M267 VanDerWaalsContact CZ-CG 3.42Å; F263-M267 HydrophobicContact CZ-SD 3.61Å; F263-M267 WeakPolarHBondContact O-CG 3.28Å; F263-M267 PolarHBondContact O-N 2.77Å; F263-C283 HydrophobicContact CD2-CB 4.35Å; F263-C283 HydrophobicContact CE2-CB 3.55Å; F263-C283 HydrophobicContact CZ-CB 4.26Å; F263-A285 HydrophobicContact CZ-CB 4.37Å; F263-R298 HydrophobicContact CD1-CB 4.18Å; F263-R298 HydrophobicContact CE1-CB 3.6Å; F263-R298 HydrophobicContact CE1-CG 4.2Å; F263-R298 HydrophobicContact CZ-CB 3.92Å; F263-R298 HydrophobicContact CZ-CG 3.99Å |
| 264 | G | 94.6 | Very high | 94.6 | Very high | 7 Ų | 7 | 41.5 Ų | 41.5 | 7% | 0.072 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.8 | -40.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q260 S261 G262 L266 M267 A268 S296 | Q260-G264 PolarHBondContact O-N 2.94Å; S261-G264 PolarHBondContact O-N 3.45Å; G262-G264 PolarHBondContact O-N 2.89Å; G264-L266 VanDerWaalsContact C-N 3.34Å; G264-M267 PolarHBondContact O-N 2.04Å; G264-A268 VanDerWaalsContact O-CB 3.3Å; G264-A268 WeakPolarHBondContact O-CB 3.26Å; G264-A268 PolarHBondContact O-N 3.45Å; G264-S296 VanDerWaalsContact CA-O 3.28Å; G264-S296 WeakPolarHBondContact CA-O 3.49Å |
| 265 | S | 92.6 | Very high | 94.7 | Very high | 49 Ų | 49 | 45.3 Ų | 45.3 | 34% | 0.343 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -66.6 | -34.6 | 176.1 | -60.7 | 0 | 0 | 0 | 0 | 112.8 | S261 G262 F263 K269 | S261-S265 WeakPolarHBondContact O-CB 3.48Å; S261-S265 PolarHBondContact O-N 3.04Å; S261-S265 PolarHBondContact O-OG 3.21Å; G262-S265 PolarHBondContact O-N 2.67Å; F263-S265 VanDerWaalsContact C-N 3.3Å; F263-S265 PolarHBondContact O-N 2.97Å; S265-K269 WeakPolarHBondContact O-CG 3.48Å |
| 266 | L | 92.7 | Very high | 94.7 | Very high | 50 Ų | 50 | 47.2 Ų | 47.2 | 26% | 0.262 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67.4 | -51.2 | 173.4 | 176.7 | 65.8 | 0 | 0 | 0 | 111 | Y258 G262 F263 G264 A268 K269 F280 | Y258-L266 HydrophobicContact CE1-CD2 4.37Å; Y258-L266 HydrophobicContact CE2-CD2 4.32Å; G262-L266 PolarHBondContact O-N 2.04Å; F263-L266 WeakPolarHBondContact O-CB 3.35Å; F263-L266 PolarHBondContact O-N 2.77Å; F263-L266 VanDerWaalsContact O-N 3.16Å; G264-L266 VanDerWaalsContact C-N 3.34Å; L266-A268 PolarHBondContact O-N 3.33Å; L266-K269 PolarHBondContact O-N 2.91Å; L266-F280 HydrophobicContact CD2-CB 4.5Å; L266-F280 HydrophobicContact CD2-CD1 4.15Å; L266-F280 HydrophobicContact CD2-CD2 3.92Å; L266-F280 HydrophobicContact CD2-CE1 4.34Å; L266-F280 HydrophobicContact CD2-CE2 4.11Å; L266-F280 HydrophobicContact CD2-CG 3.93Å; L266-F280 HydrophobicContact CD2-CZ 4.31Å |
| 267 | M | 94.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.5 | -40.5 | -179.2 | -63.7 | -60.7 | 121.7 | 0 | 0 | 112.4 | F263 G264 K269 M270 F280 A285 C294 S295 | F263-M267 HydrophobicContact CD1-CG 3.94Å; F263-M267 HydrophobicContact CD2-CE 3.72Å; F263-M267 HydrophobicContact CD2-CG 4.33Å; F263-M267 HydrophobicContact CE1-CG 3.44Å; F263-M267 VanDerWaalsContact CE1-CG 3.44Å; F263-M267 HydrophobicContact CE1-SD 4.27Å; F263-M267 HydrophobicContact CE2-CE 3.2Å; F263-M267 HydrophobicContact CE2-CG 3.89Å; F263-M267 HydrophobicContact CE2-SD 3.83Å; F263-M267 HydrophobicContact CG-CG 4.35Å; F263-M267 HydrophobicContact CZ-CE 3.67Å; F263-M267 HydrophobicContact CZ-CG 3.42Å; F263-M267 VanDerWaalsContact CZ-CG 3.42Å; F263-M267 HydrophobicContact CZ-SD 3.61Å; F263-M267 WeakPolarHBondContact O-CG 3.28Å; F263-M267 PolarHBondContact O-N 2.77Å; G264-M267 PolarHBondContact O-N 2.04Å; M267-K269 PolarHBondContact O-N 3.43Å; M267-M270 HydrophobicContact CE-CE 3.29Å; M267-M270 HydrophobicContact CG-CE 4.42Å; M267-M270 PolarHBondContact O-N 3.16Å; M267-M270 HydrophobicContact SD-CE 3.17Å; M267-M270 WeakPolarHBondContact SD-CE 3.4Å; M267-F280 HydrophobicContact CE-CB 3.53Å; M267-F280 HydrophobicContact CE-CG 4.38Å; M267-A285 HydrophobicContact CG-CB 4.07Å; M267-A285 HydrophobicContact SD-CB 3.89Å; M267-C294 HydrophobicContact CB-CB 4.17Å; M267-C294 WeakPolarHBondContact O-CB 3.11Å; M267-S295 WeakPolarHBondContact CB-O 3.35Å |
| 268 | A | 92.5 | Very high | 94.9 | Very high | 53 Ų | 53 | 48.3 Ų | 48.3 | 44% | 0.438 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -15.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114 | G264 L266 | G264-A268 VanDerWaalsContact O-CB 3.3Å; G264-A268 WeakPolarHBondContact O-CB 3.26Å; G264-A268 PolarHBondContact O-N 3.45Å; L266-A268 PolarHBondContact O-N 3.33Å |
| 269 | K | 93.2 | Very high | 95 | Very high | 141 Ų | 141 | 54.2 Ų | 54.2 | 61% | 0.613 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | -4.2 | 177.1 | -62.5 | 171.8 | -172.6 | 173.6 | 0 | 113.1 | S265 L266 M267 | S265-K269 WeakPolarHBondContact O-CG 3.48Å; L266-K269 PolarHBondContact O-N 2.91Å; M267-K269 PolarHBondContact O-N 3.43Å |
| 270 | M | 95.3 | Very high | 95 | Very high | 42 Ų | 42 | 55.9 Ų | 55.9 | 21% | 0.207 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -93.7 | 118.4 | 180 | -72.1 | -163.5 | -67.5 | 0 | 0 | 110.7 | M267 W293 C294 | M267-M270 HydrophobicContact CE-CE 3.29Å; M267-M270 HydrophobicContact CG-CE 4.42Å; M267-M270 PolarHBondContact O-N 3.16Å; M267-M270 HydrophobicContact SD-CE 3.17Å; M267-M270 WeakPolarHBondContact SD-CE 3.4Å; M270-W293 WeakPolarHBondContact O-CA 3.17Å; M270-C294 HydrophobicContact CB-CB 4.49Å; M270-C294 PolarHBondContact O-N 3.02Å |
| 271 | P | 97.4 | Very high | 95 | Very high | 92 Ų | 92 | 59.3 Ų | 59.3 | 60% | 0.597 | 31% | 0.314 | S | S | * | . | B | Isolated β-bridge | trans | -71.5 | 147.7 | 176.4 | 30.4 | -34.1 | 0 | 0 | 0 | 110.7 | G292 W293 | P271-G292 VanDerWaalsContact CA-O 3.28Å; P271-G292 WeakPolarHBondContact CA-O 3.05Å; P271-W293 HydrophobicContact CB-CE3 4.24Å; P271-W293 HydrophobicContact CB-CZ3 4.01Å |
| 272 | C | 97.9 | Very high | 95.1 | Very high | 11 Ų | 11 | 58.1 Ų | 58.1 | 7% | 0.074 | 30% | 0.304 | C | S | . | . | trans | -149 | 155.6 | -179.6 | 69.8 | 0 | 0 | 0 | 0 | 113 | D277 C278 C287 G292 W293 | C272-D277 HydrophobicContact CB-CB 3.91Å; C272-C278 WeakPolarHBondContact CB-SG 3.4Å; C272-C278 VanDerWaalsContact SG-SG 3.63Å; C272-C287 HydrophobicContact CB-CB 3.79Å; C272-C287 WeakPolarHBondContact CB-SG 3.28Å; C272-C287 WeakPolarHBondContact SG-CA 3.43Å; C272-C287 WeakPolarHBondContact SG-CB 3.39Å; C272-C287 CovalentContact SG-SG 2.04Å; C272-C287 PolarHBondContact SG-SG 3.35Å; C272-G292 PolarHBondContact N-O 3.11Å; C272-W293 PolarHBondContact SG-O 3.17Å; C272-W293 VanDerWaalsContact SG-O 3.33Å | ||
| 273 | Q | 97.6 | Very high | 95.3 | Very high | 144 Ų | 144 | 58 Ų | 58 | 67% | 0.673 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -116.9 | -29.2 | 165.7 | -62.1 | -176.4 | -0.8 | 0 | 0 | 111.1 | D277 | Q273-D277 PolarHBondContact N-OD2 3.29Š|
| 274 | H | 97.3 | Very high | 95.4 | Very high | 95 Ų | 95 | 63 Ų | 63 | 44% | 0.44 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -133.8 | 156.3 | -176.4 | -54.1 | -37.4 | 0 | 0 | 0 | 110.9 | S276 D277 C287 | H274-S276 WeakPolarHBondContact CB-OG 3.49Å; H274-S276 PolarHBondContact O-N 3.42Å; H274-S276 VanDerWaalsContact O-N 3.13Å; H274-D277 PolarHBondContact N-OD2 3.14Å; H274-D277 WeakPolarHBondContact O-CB 3.28Å; H274-D277 PolarHBondContact O-N 3.01Å; H274-C287 VanDerWaalsContact C-CB 3.49Å; H274-C287 WeakPolarHBondContact O-CB 3.45Å |
| 275 | D | 96.9 | Very high | 95.6 | Very high | 80 Ų | 80 | 62.7 Ų | 62.7 | 43% | 0.428 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -60.3 | -24.6 | 175.2 | -61.8 | -17.7 | 0 | 0 | 0 | 112 | D277 C278 C287 | D275-D277 PolarHBondContact O-N 2.86Å; D275-C278 PolarHBondContact O-N 3.32Å; D275-C278 VanDerWaalsContact O-N 3.15Å; D275-C287 WeakPolarHBondContact OD1-CB 3.28Å; D275-C287 PolarHBondContact OD1-N 2.89Å |
| 276 | S | 95.9 | Very high | 95.8 | Very high | 79 Ų | 79 | 62.3 Ų | 62.3 | 55% | 0.552 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -66.7 | -16.3 | 173.9 | 55.2 | 0 | 0 | 0 | 0 | 114 | H274 Y279 | H274-S276 WeakPolarHBondContact CB-OG 3.49Å; H274-S276 PolarHBondContact O-N 3.42Å; H274-S276 VanDerWaalsContact O-N 3.13Å; S276-Y279 WeakPolarHBondContact O-CD1 3.48Å; S276-Y279 VanDerWaalsContact O-CE1 3.24Å; S276-Y279 WeakPolarHBondContact O-CE1 3.28Å |
| 277 | D | 97 | Very high | 96.1 | Very high | 64 Ų | 64 | 60.5 Ų | 60.5 | 34% | 0.342 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -85.7 | -19 | 176.3 | -48.7 | -28.9 | 0 | 0 | 0 | 110.7 | C272 Q273 H274 D275 Y279 | C272-D277 HydrophobicContact CB-CB 3.91Å; Q273-D277 PolarHBondContact N-OD2 3.29Å; H274-D277 PolarHBondContact N-OD2 3.14Å; H274-D277 WeakPolarHBondContact O-CB 3.28Å; H274-D277 PolarHBondContact O-N 3.01Å; D275-D277 PolarHBondContact O-N 2.86Å; D277-Y279 PolarHBondContact O-N 3.24Å |
| 278 | C | 97.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 33% | 0.331 | C | S | . | . | trans | -95.5 | 65.9 | -174.1 | -65.3 | 0 | 0 | 0 | 0 | 111.9 | C272 D275 K284 A285 C294 | C272-C278 WeakPolarHBondContact CB-SG 3.4Å; C272-C278 VanDerWaalsContact SG-SG 3.63Å; D275-C278 PolarHBondContact O-N 3.32Å; D275-C278 VanDerWaalsContact O-N 3.15Å; C278-K284 WeakPolarHBondContact O-CA 3.17Å; C278-A285 HydrophobicContact CB-CB 4.06Å; C278-A285 VanDerWaalsContact CB-O 3.28Å; C278-A285 WeakPolarHBondContact CB-O 3.44Å; C278-A285 PolarHBondContact O-N 3.27Å; C278-C294 WeakPolarHBondContact CA-SG 3.43Å; C278-C294 HydrophobicContact CB-CB 3.78Å; C278-C294 WeakPolarHBondContact CB-SG 3.39Å; C278-C294 WeakPolarHBondContact SG-CA 3.35Å; C278-C294 WeakPolarHBondContact SG-CB 3.36Å; C278-C294 CovalentContact SG-SG 2.04Å; C278-C294 PolarHBondContact SG-SG 3.08Å | ||
| 279 | Y | 95.2 | Very high | 96.3 | Very high | 141 Ų | 141 | 70.5 Ų | 70.5 | 55% | 0.553 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 147.1 | 172.1 | 70.3 | -80.4 | 0 | 0 | 0 | 111.5 | S276 D277 C283 | S276-Y279 WeakPolarHBondContact O-CD1 3.48Å; S276-Y279 VanDerWaalsContact O-CE1 3.24Å; S276-Y279 WeakPolarHBondContact O-CE1 3.28Å; D277-Y279 PolarHBondContact O-N 3.24Å; Y279-C283 CarbonylContact C-O 3.52Å; Y279-C283 VanDerWaalsContact CA-O 3.3Å; Y279-C283 WeakPolarHBondContact CA-O 3.42Å |
| 280 | F | 92.7 | Very high | 96.4 | Very high | 39 Ų | 39 | 69.7 Ų | 69.7 | 17% | 0.171 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 100.8 | 167.8 | -171.1 | -96.6 | 0 | 0 | 0 | 107.4 | C232 M256 Y258 L266 M267 D282 C283 | C232-F280 HydrophobicContact CB-CD1 4.09Å; M256-F280 HydrophobicContact CB-CE1 4.14Å; M256-F280 HydrophobicContact CE-CZ 4.18Å; M256-F280 HydrophobicContact CG-CE1 4.08Å; M256-F280 HydrophobicContact SD-CE1 3.38Å; M256-F280 WeakPolarHBondContact SD-CE1 3.43Å; M256-F280 HydrophobicContact SD-CZ 3.43Å; M256-F280 WeakPolarHBondContact SD-CZ 3.5Å; Y258-F280 AromaticContact CE2-CD1 3.96Å; Y258-F280 HydrophobicContact CE2-CD1 3.96Å; Y258-F280 AromaticContact CE2-CE1 3.58Å; Y258-F280 HydrophobicContact CE2-CE1 3.58Å; Y258-F280 HydrophobicContact CE2-CZ 4.44Å; Y258-F280 AromaticContact CZ-CE1 3.89Å; Y258-F280 WeakPolarHBondContact OH-CE1 2.99Å; Y258-F280 WeakPolarHBondContact OH-CZ 3.36Å; L266-F280 HydrophobicContact CD2-CB 4.5Å; L266-F280 HydrophobicContact CD2-CD1 4.15Å; L266-F280 HydrophobicContact CD2-CD2 3.92Å; L266-F280 HydrophobicContact CD2-CE1 4.34Å; L266-F280 HydrophobicContact CD2-CE2 4.11Å; L266-F280 HydrophobicContact CD2-CG 3.93Å; L266-F280 HydrophobicContact CD2-CZ 4.31Å; M267-F280 HydrophobicContact CE-CB 3.53Å; M267-F280 HydrophobicContact CE-CG 4.38Å; F280-D282 PolarHBondContact O-N 3.33Å; F280-D282 VanDerWaalsContact O-N 3.08Å; F280-C283 PolarHBondContact N-O 3.02Å; F280-C283 PolarHBondContact O-N 3.39Å |
| 281 | F | 94 | Very high | 96.4 | Very high | 110 Ų | 110 | 70.2 Ų | 70.2 | 48% | 0.482 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | -112.4 | -170.7 | -67.5 | -100.9 | 0 | 0 | 0 | 111.4 | C232 M256 | C232-F281 WeakPolarHBondContact O-CB 3.02Å; M256-F281 HydrophobicContact CE-CE2 3.81Å; M256-F281 HydrophobicContact CE-CZ 4.04Å; M256-F281 HydrophobicContact CG-CD2 4.43Å; M256-F281 HydrophobicContact CG-CE2 4.35Å; M256-F281 HydrophobicContact SD-CE2 4.25Å |
| 282 | D | 95.1 | Very high | 96.4 | Very high | 21 Ų | 21 | 67 Ų | 67 | 11% | 0.112 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -13.6 | -178.9 | -65.9 | -38.1 | 0 | 0 | 0 | 114.3 | C232 A234 F280 N300 V305 K309 | C232-D282 VanDerWaalsContact O-CB 3.24Å; C232-D282 WeakPolarHBondContact O-CB 3.42Å; C232-D282 PolarHBondContact O-N 3.01Å; A234-D282 PolarHBondContact N-OD2 2.88Å; F280-D282 PolarHBondContact O-N 3.33Å; F280-D282 VanDerWaalsContact O-N 3.08Å; D282-N300 PolarHBondContact O-ND2 3.48Å; D282-V305 HydrophobicContact CB-CB 4.42Å; D282-V305 HydrophobicContact CB-CG1 3.63Å; D282-V305 HydrophobicContact CB-CG2 3.87Å; D282-V305 WeakPolarHBondContact O-CG2 3.47Å; D282-K309 WeakPolarHBondContact OD1-CE 3.33Å; D282-K309 IonicContact OD1-NZ 2.85Å; D282-K309 PolarHBondContact OD1-NZ 2.97Å; D282-K309 WeakPolarHBondContact OD2-CE 3.39Å; D282-K309 IonicContact OD2-NZ 3.64Å; D282-K309 PolarHBondContact OD2-NZ 2.87Å |
| 283 | C | 97.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 140.6 | 178.7 | -68.3 | 0 | 0 | 0 | 0 | 111.4 | C232 F263 Y279 F280 R298 | C232-C283 WeakPolarHBondContact CA-SG 3.27Å; C232-C283 HydrophobicContact CB-CB 3.79Å; C232-C283 WeakPolarHBondContact CB-SG 3.33Å; C232-C283 WeakPolarHBondContact SG-CB 3.48Å; C232-C283 CovalentContact SG-SG 2.03Å; C232-C283 PolarHBondContact SG-SG 2.87Å; F263-C283 HydrophobicContact CD2-CB 4.35Å; F263-C283 HydrophobicContact CE2-CB 3.55Å; F263-C283 HydrophobicContact CZ-CB 4.26Å; Y279-C283 CarbonylContact C-O 3.52Å; Y279-C283 VanDerWaalsContact CA-O 3.3Å; Y279-C283 WeakPolarHBondContact CA-O 3.42Å; F280-C283 PolarHBondContact N-O 3.02Å; F280-C283 PolarHBondContact O-N 3.39Å; C283-R298 PolarHBondContact SG-NE 3.36Å; C283-R298 VanDerWaalsContact SG-NE 3.36Å |
| 284 | K | 97.2 | Very high | 96.4 | Very high | 105 Ų | 105 | 65.8 Ų | 65.8 | 46% | 0.457 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 147.5 | -177.9 | -59.2 | -177.4 | 177.2 | -170.1 | 0 | 111.3 | C278 R298 L299 N300 | C278-K284 WeakPolarHBondContact O-CA 3.17Å; K284-R298 CarbonylContact O-C 3.55Å; K284-R298 WeakPolarHBondContact O-CA 3.2Å; K284-L299 PolarHBondContact O-N 3.2Å; K284-N300 PolarHBondContact N-OD1 3.32Å |
| 285 | A | 97.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.008 | 33% | 0.326 | C | S | . | . | trans | -130.5 | 169 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | F263 M267 C278 S295 L299 | F263-A285 HydrophobicContact CZ-CB 4.37Å; M267-A285 HydrophobicContact CG-CB 4.07Å; M267-A285 HydrophobicContact SD-CB 3.89Å; C278-A285 HydrophobicContact CB-CB 4.06Å; C278-A285 VanDerWaalsContact CB-O 3.28Å; C278-A285 WeakPolarHBondContact CB-O 3.44Å; C278-A285 PolarHBondContact O-N 3.27Å; A285-S295 WeakPolarHBondContact CB-O 3.42Å; A285-L299 VanDerWaalsContact C-CD1 3.46Å; A285-L299 WeakPolarHBondContact O-CD1 3.45Å | ||
| 286 | S | 97.4 | Very high | 96.3 | Very high | 40 Ų | 40 | 62 Ų | 62 | 28% | 0.28 | 33% | 0.329 | S | S | . | . | trans | -90.6 | 157.2 | 170.4 | 60.4 | 0 | 0 | 0 | 0 | 110.7 | C294 S295 | S286-C294 CarbonylContact O-C 3.59Å; S286-C294 WeakPolarHBondContact O-CA 3.45Å; S286-S295 PolarHBondContact N-OG 3.11Å; S286-S295 WeakPolarHBondContact O-CB 3.32Å; S286-S295 PolarHBondContact O-N 3.18Å; S286-S295 PolarHBondContact O-OG 3.35Å; S286-S295 WeakPolarHBondContact OG-CB 3.37Å; S286-S295 PolarHBondContact OG-OG 3.14Å; S286-S295 VanDerWaalsContact OG-OG 3.14Å | ||
| 287 | C | 98.1 | Very high | 96.2 | Very high | 12 Ų | 12 | 64 Ų | 64 | 8% | 0.081 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 123.3 | 173.2 | -179 | 0 | 0 | 0 | 0 | 110.8 | C272 H274 D275 R289 | C272-C287 HydrophobicContact CB-CB 3.79Å; C272-C287 WeakPolarHBondContact CB-SG 3.28Å; C272-C287 WeakPolarHBondContact SG-CA 3.43Å; C272-C287 WeakPolarHBondContact SG-CB 3.39Å; C272-C287 CovalentContact SG-SG 2.04Å; C272-C287 PolarHBondContact SG-SG 3.35Å; H274-C287 VanDerWaalsContact C-CB 3.49Å; H274-C287 WeakPolarHBondContact O-CB 3.45Å; D275-C287 WeakPolarHBondContact OD1-CB 3.28Å; D275-C287 PolarHBondContact OD1-N 2.89Å; C287-R289 PolarHBondContact O-N 3.46Å; C287-R289 VanDerWaalsContact O-N 3.13Å |
| 288 | N | 96.8 | Very high | 96.2 | Very high | 83 Ų | 83 | 61.4 Ų | 61.4 | 44% | 0.444 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 88.9 | 165.9 | -175.4 | -16.7 | 0 | 0 | 0 | 108.9 | S290 A291 G292 W293 | N288-S290 PolarHBondContact O-N 3.34Å; N288-S290 PolarHBondContact OD1-N 2.73Å; N288-A291 HydrophobicContact CB-CB 4.14Å; N288-A291 PolarHBondContact O-N 2.96Å; N288-A291 PolarHBondContact OD1-N 3.08Å; N288-G292 PolarHBondContact O-N 3.46Å; N288-W293 WeakPolarHBondContact CB-O 3.35Å; N288-W293 PolarHBondContact N-O 2.99Å; N288-W293 PolarHBondContact O-N 2.61Å |
| 289 | R | 95.5 | Very high | 96.1 | Very high | 180 Ų | 180 | 66.3 Ų | 66.3 | 68% | 0.679 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -30.6 | -176 | -58 | -175.8 | -169.3 | 179 | 2.1 | 113.7 | C287 | C287-R289 PolarHBondContact O-N 3.46Å; C287-R289 VanDerWaalsContact O-N 3.13Å |
| 290 | S | 95.8 | Very high | 96.1 | Very high | 125 Ų | 125 | 60.8 Ų | 60.8 | 87% | 0.874 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -36.2 | 178.1 | -56 | 0 | 0 | 0 | 0 | 111.9 | N288 | N288-S290 PolarHBondContact O-N 3.34Å; N288-S290 PolarHBondContact OD1-N 2.73Å |
| 291 | A | 94.8 | Very high | 96.2 | Very high | 52 Ų | 52 | 60.7 Ų | 60.7 | 43% | 0.43 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -25.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | N288 W293 | N288-A291 HydrophobicContact CB-CB 4.14Å; N288-A291 PolarHBondContact O-N 2.96Å; N288-A291 PolarHBondContact OD1-N 3.08Å; A291-W293 PolarHBondContact O-NE1 2.67Å |
| 292 | G | 96.8 | Very high | 96.3 | Very high | 25 Ų | 25 | 55.8 Ų | 55.8 | 26% | 0.258 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | 17.7 | -174 | 0 | 0 | 0 | 0 | 0 | 114.2 | P271 C272 N288 | P271-G292 VanDerWaalsContact CA-O 3.28Å; P271-G292 WeakPolarHBondContact CA-O 3.05Å; C272-G292 PolarHBondContact N-O 3.11Å; N288-G292 PolarHBondContact O-N 3.46Å |
| 293 | W | 97.6 | Very high | 96.2 | Very high | 124 Ų | 124 | 55 Ų | 55 | 47% | 0.47 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 151.2 | -174.8 | -55 | 101.3 | 0 | 0 | 0 | 112 | M270 P271 C272 N288 A291 | M270-W293 WeakPolarHBondContact O-CA 3.17Å; P271-W293 HydrophobicContact CB-CE3 4.24Å; P271-W293 HydrophobicContact CB-CZ3 4.01Å; C272-W293 PolarHBondContact SG-O 3.17Å; C272-W293 VanDerWaalsContact SG-O 3.33Å; N288-W293 WeakPolarHBondContact CB-O 3.35Å; N288-W293 PolarHBondContact N-O 2.99Å; N288-W293 PolarHBondContact O-N 2.61Å; A291-W293 PolarHBondContact O-NE1 2.67Å |
| 294 | C | 98.1 | Very high | 96 | Very high | 6 Ų | 6 | 59.5 Ų | 59.5 | 4% | 0.041 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 147.3 | 174.5 | -62.9 | 0 | 0 | 0 | 0 | 112.2 | M267 M270 C278 S286 | M267-C294 HydrophobicContact CB-CB 4.17Å; M267-C294 WeakPolarHBondContact O-CB 3.11Å; M270-C294 HydrophobicContact CB-CB 4.49Å; M270-C294 PolarHBondContact O-N 3.02Å; C278-C294 WeakPolarHBondContact CA-SG 3.43Å; C278-C294 HydrophobicContact CB-CB 3.78Å; C278-C294 WeakPolarHBondContact CB-SG 3.39Å; C278-C294 WeakPolarHBondContact SG-CA 3.35Å; C278-C294 WeakPolarHBondContact SG-CB 3.36Å; C278-C294 CovalentContact SG-SG 2.04Å; C278-C294 PolarHBondContact SG-SG 3.08Å; S286-C294 CarbonylContact O-C 3.59Å; S286-C294 WeakPolarHBondContact O-CA 3.45Å |
| 295 | S | 96.7 | Very high | 95.8 | Very high | 26 Ų | 26 | 54.7 Ų | 54.7 | 18% | 0.182 | 30% | 0.3 | C | S | . | . | trans | -67.7 | 145.4 | 176.4 | 70 | 0 | 0 | 0 | 0 | 111.2 | M267 A285 S286 H297 | M267-S295 WeakPolarHBondContact CB-O 3.35Å; A285-S295 WeakPolarHBondContact CB-O 3.42Å; S286-S295 PolarHBondContact N-OG 3.11Å; S286-S295 WeakPolarHBondContact O-CB 3.32Å; S286-S295 PolarHBondContact O-N 3.18Å; S286-S295 PolarHBondContact O-OG 3.35Å; S286-S295 WeakPolarHBondContact OG-CB 3.37Å; S286-S295 PolarHBondContact OG-OG 3.14Å; S286-S295 VanDerWaalsContact OG-OG 3.14Å; S295-H297 PolarHBondContact O-N 3.05Å; S295-H297 PolarHBondContact OG-O 3.37Å | ||
| 296 | S | 94.8 | Very high | 95.4 | Very high | 70 Ų | 70 | 54.7 Ų | 54.7 | 49% | 0.49 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -71.4 | -14.9 | 175.6 | 53.3 | 0 | 0 | 0 | 0 | 114.5 | Q260 G264 | Q260-S296 PolarHBondContact NE2-O 3.11Å; G264-S296 VanDerWaalsContact CA-O 3.28Å; G264-S296 WeakPolarHBondContact CA-O 3.49Å |
| 297 | H | 94.6 | Very high | 95 | Very high | 120 Ų | 120 | 53.1 Ų | 53.1 | 56% | 0.556 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -92.7 | 137.8 | -178.5 | -170.7 | -78.5 | 0 | 0 | 0 | 112 | S295 | S295-H297 PolarHBondContact O-N 3.05Å; S295-H297 PolarHBondContact OG-O 3.37Å |
| 298 | R | 96 | Very high | 94.5 | Very high | 9 Ų | 9 | 59.7 Ų | 59.7 | 3% | 0.034 | 32% | 0.316 | C | S | . | . | trans | -80.6 | 129.8 | 178 | -170.4 | -177.5 | 170.1 | -172 | -3.8 | 111.3 | H230 F263 C283 K284 N300 N302 | H230-R298 VanDerWaalsContact CB-NH1 3.31Å; H230-R298 PolarHBondContact ND1-NH1 3.25Å; F263-R298 HydrophobicContact CD1-CB 4.18Å; F263-R298 HydrophobicContact CE1-CB 3.6Å; F263-R298 HydrophobicContact CE1-CG 4.2Å; F263-R298 HydrophobicContact CZ-CB 3.92Å; F263-R298 HydrophobicContact CZ-CG 3.99Å; C283-R298 PolarHBondContact SG-NE 3.36Å; C283-R298 VanDerWaalsContact SG-NE 3.36Å; K284-R298 CarbonylContact O-C 3.55Å; K284-R298 WeakPolarHBondContact O-CA 3.2Å; R298-N300 WeakPolarHBondContact CD-O 3.4Å; R298-N300 VanDerWaalsContact CG-O 3.31Å; R298-N300 WeakPolarHBondContact CG-O 2.85Å; R298-N300 PolarHBondContact NE-O 3.32Å; R298-N300 PolarHBondContact NE-OD1 2.99Å; R298-N302 PolarHBondContact NH1-OD1 3.19Å; R298-N302 PolarHBondContact NH2-OD1 3.26Å | ||
| 299 | L | 95.6 | Very high | 94 | Very high | 103 Ų | 103 | 60.1 Ų | 60.1 | 54% | 0.539 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -79.6 | -33.5 | -179 | -68.4 | -178.2 | 0 | 0 | 0 | 113.8 | K284 A285 | K284-L299 PolarHBondContact O-N 3.2Å; A285-L299 VanDerWaalsContact C-CD1 3.46Å; A285-L299 WeakPolarHBondContact O-CD1 3.45Å |
| 300 | N | 95.5 | Very high | 93.4 | Very high | 26 Ų | 26 | 51.8 Ų | 51.8 | 14% | 0.139 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -108.1 | 147.3 | -177.2 | 65.5 | -35 | 0 | 0 | 0 | 112.5 | D282 K284 R298 V305 | D282-N300 PolarHBondContact O-ND2 3.48Å; K284-N300 PolarHBondContact N-OD1 3.32Å; R298-N300 WeakPolarHBondContact CD-O 3.4Å; R298-N300 VanDerWaalsContact CG-O 3.31Å; R298-N300 WeakPolarHBondContact CG-O 2.85Å; R298-N300 PolarHBondContact NE-O 3.32Å; R298-N300 PolarHBondContact NE-OD1 2.99Å; N300-V305 VanDerWaalsContact ND2-CG2 3.26Å; N300-V305 WeakPolarHBondContact ND2-CG2 3.33Å |
| 301 | S | 95.2 | Very high | 92.6 | Very high | 36 Ų | 36 | 46.1 Ų | 46.1 | 25% | 0.252 | 24% | 0.242 | S | C | . | . | trans | -85.6 | 163.5 | 178.6 | 69.7 | 0 | 0 | 0 | 0 | 112.7 | V303 Q304 V305 G332 | S301-V303 PolarHBondContact O-N 3.48Å; S301-V303 PolarHBondContact OG-N 3.02Å; S301-Q304 PolarHBondContact O-N 3.37Å; S301-Q304 WeakPolarHBondContact OG-CG 3.41Å; S301-Q304 PolarHBondContact OG-N 3.38Å; S301-Q304 VanDerWaalsContact OG-N 3.09Å; S301-V305 PolarHBondContact O-N 3.4Å; S301-V305 VanDerWaalsContact O-N 3.11Å; S301-G332 PolarHBondContact OG-O 2.65Å | ||
| 302 | N | 95.2 | Very high | 91.7 | Very high | 8 Ų | 8 | 45.8 Ų | 45.8 | 4% | 0.043 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.1 | -35.9 | 168.4 | -71.6 | -27.9 | 0 | 0 | 0 | 111.6 | L218 L229 W231 R298 V305 V306 | L218-N302 HydrophobicContact CD2-CB 3.84Å; L229-N302 PolarHBondContact O-ND2 3.07Å; W231-N302 PolarHBondContact N-OD1 2.79Å; W231-N302 VanDerWaalsContact N-OD1 3.12Å; R298-N302 PolarHBondContact NH1-OD1 3.19Å; R298-N302 PolarHBondContact NH2-OD1 3.26Å; N302-V305 PolarHBondContact O-N 2.9Å; N302-V306 WeakPolarHBondContact O-CG2 3.42Å; N302-V306 PolarHBondContact O-N 2.97Å |
| 303 | V | 93.5 | Very high | 90.6 | Very high | 4 Ų | 4 | 54.2 Ų | 54.2 | 2% | 0.024 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.6 | -51.5 | 174.7 | 176.5 | 0 | 0 | 0 | 0 | 110 | L218 S301 V305 V306 C307 L328 L334 | L218-V303 HydrophobicContact CD1-CG2 4.24Å; S301-V303 PolarHBondContact O-N 3.48Å; S301-V303 PolarHBondContact OG-N 3.02Å; V303-V305 VanDerWaalsContact C-N 3.31Å; V303-V305 PolarHBondContact O-N 3.27Å; V303-V306 PolarHBondContact O-N 3.39Å; V303-C307 WeakPolarHBondContact O-CB 3.46Å; V303-C307 PolarHBondContact O-N 3.23Å; V303-C307 PolarHBondContact O-SG 2.95Å; V303-L328 HydrophobicContact CG1-CD1 4.31Å; V303-L328 HydrophobicContact CG1-CD2 3.95Å; V303-L328 HydrophobicContact CG1-CG 3.75Å; V303-L328 HydrophobicContact CG2-CD1 4.47Å; V303-L328 HydrophobicContact CG2-CD2 4.39Å; V303-L334 HydrophobicContact CG2-CD2 4.14Å; V303-L334 HydrophobicContact CG2-CG 3.81Å |
| 304 | Q | 93.5 | Very high | 89.4 | Confident | 94 Ų | 94 | 54 Ų | 54 | 44% | 0.439 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.2 | -39.3 | 179.8 | -72.6 | 172.7 | -39.2 | 0 | 0 | 112.5 | S301 K308 | S301-Q304 PolarHBondContact O-N 3.37Å; S301-Q304 WeakPolarHBondContact OG-CG 3.41Å; S301-Q304 PolarHBondContact OG-N 3.38Å; S301-Q304 VanDerWaalsContact OG-N 3.09Å; Q304-K308 WeakPolarHBondContact O-CB 3.49Å; Q304-K308 PolarHBondContact O-N 3.18Å; Q304-K308 VanDerWaalsContact O-N 3.14Å |
| 305 | V | 93.4 | Very high | 88.3 | Confident | 5 Ų | 5 | 54.6 Ų | 54.6 | 3% | 0.03 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.6 | -52 | 175.5 | 168.4 | 0 | 0 | 0 | 0 | 111 | A234 D282 N300 S301 N302 V303 C307 K308 K309 | A234-V305 HydrophobicContact CB-CG1 3.55Å; D282-V305 HydrophobicContact CB-CB 4.42Å; D282-V305 HydrophobicContact CB-CG1 3.63Å; D282-V305 HydrophobicContact CB-CG2 3.87Å; D282-V305 WeakPolarHBondContact O-CG2 3.47Å; N300-V305 VanDerWaalsContact ND2-CG2 3.26Å; N300-V305 WeakPolarHBondContact ND2-CG2 3.33Å; S301-V305 PolarHBondContact O-N 3.4Å; S301-V305 VanDerWaalsContact O-N 3.11Å; N302-V305 PolarHBondContact O-N 2.9Å; V303-V305 VanDerWaalsContact C-N 3.31Å; V303-V305 PolarHBondContact O-N 3.27Å; V305-C307 PolarHBondContact O-N 3.38Å; V305-K308 PolarHBondContact O-N 3.37Å; V305-K308 VanDerWaalsContact O-N 3.16Å; V305-K309 HydrophobicContact CG1-CG 4.41Å; V305-K309 WeakPolarHBondContact O-CB 3.36Å; V305-K309 WeakPolarHBondContact O-CG 3.46Å; V305-K309 PolarHBondContact O-N 3.13Å |
| 306 | V | 89.1 | Confident | 87 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.5 | -47.7 | 179.2 | 165.2 | 0 | 0 | 0 | 0 | 110.7 | F214 L218 N302 V303 K308 K309 F310 | F214-V306 HydrophobicContact CD1-CG1 4.21Å; F214-V306 HydrophobicContact CE1-CB 4.19Å; F214-V306 HydrophobicContact CE1-CG1 3.35Å; F214-V306 HydrophobicContact CE1-CG2 3.88Å; F214-V306 HydrophobicContact CZ-CG1 3.96Å; F214-V306 HydrophobicContact CZ-CG2 4.04Å; L218-V306 HydrophobicContact CD2-CG2 3.95Å; N302-V306 WeakPolarHBondContact O-CG2 3.42Å; N302-V306 PolarHBondContact O-N 2.97Å; V303-V306 PolarHBondContact O-N 3.39Å; V306-K308 PolarHBondContact O-N 3.31Å; V306-K308 VanDerWaalsContact O-N 3.11Å; V306-K309 PolarHBondContact O-N 2.93Å; V306-F310 HydrophobicContact CB-CD2 4.12Å; V306-F310 HydrophobicContact CG1-CB 4.03Å; V306-F310 HydrophobicContact CG1-CD2 3.91Å; V306-F310 HydrophobicContact CG1-CG 4.01Å; V306-F310 HydrophobicContact CG2-CD2 4.16Å; V306-F310 HydrophobicContact CG2-CE2 4.15Å; V306-F310 WeakPolarHBondContact O-CB 3.37Å; V306-F310 WeakPolarHBondContact O-CD2 3.3Å; V306-F310 PolarHBondContact O-N 2.95Å |
| 307 | C | 88.4 | Confident | 85.9 | Confident | 7 Ų | 7 | 61.5 Ų | 61.5 | 5% | 0.047 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.1 | -23.1 | -179.9 | -69.8 | 0 | 0 | 0 | 0 | 113.9 | V303 V305 C329 | V303-C307 WeakPolarHBondContact O-CB 3.46Å; V303-C307 PolarHBondContact O-N 3.23Å; V303-C307 PolarHBondContact O-SG 2.95Å; V305-C307 PolarHBondContact O-N 3.38Å; C307-C329 WeakPolarHBondContact CA-SG 3.44Å; C307-C329 HydrophobicContact CB-CB 3.6Å; C307-C329 WeakPolarHBondContact CB-SG 3.29Å; C307-C329 WeakPolarHBondContact SG-CA 3.3Å; C307-C329 WeakPolarHBondContact SG-CB 3.4Å; C307-C329 CovalentContact SG-SG 2.01Å; C307-C329 PolarHBondContact SG-SG 2.97Å |
| 308 | K | 87.8 | Confident | 84.9 | Confident | 150 Ų | 150 | 61.3 Ų | 61.3 | 65% | 0.652 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -85.6 | -40.3 | 172.8 | -177.1 | -174.8 | 175.6 | -168.8 | 0 | 112 | Q304 V305 V306 | Q304-K308 WeakPolarHBondContact O-CB 3.49Å; Q304-K308 PolarHBondContact O-N 3.18Å; Q304-K308 VanDerWaalsContact O-N 3.14Å; V305-K308 PolarHBondContact O-N 3.37Å; V305-K308 VanDerWaalsContact O-N 3.16Å; V306-K308 PolarHBondContact O-N 3.31Å; V306-K308 VanDerWaalsContact O-N 3.11Å |
| 309 | K | 86.4 | Confident | 83.8 | Confident | 92 Ų | 92 | 62 Ų | 62 | 40% | 0.4 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -88.1 | -33 | -170.9 | -75.1 | -74.1 | -179.2 | 96.6 | 0 | 114 | D282 V305 V306 | D282-K309 WeakPolarHBondContact OD1-CE 3.33Å; D282-K309 IonicContact OD1-NZ 2.85Å; D282-K309 PolarHBondContact OD1-NZ 2.97Å; D282-K309 WeakPolarHBondContact OD2-CE 3.39Å; D282-K309 IonicContact OD2-NZ 3.64Å; D282-K309 PolarHBondContact OD2-NZ 2.87Å; V305-K309 HydrophobicContact CG1-CG 4.41Å; V305-K309 WeakPolarHBondContact O-CB 3.36Å; V305-K309 WeakPolarHBondContact O-CG 3.46Å; V305-K309 PolarHBondContact O-N 3.13Å; V306-K309 PolarHBondContact O-N 2.93Å |
| 310 | F | 81.8 | Confident | 82.7 | Confident | 4 Ų | 4 | 60.4 Ų | 60.4 | 2% | 0.018 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | -21.7 | -170 | -67.6 | -109.8 | 0 | 0 | 0 | 112.6 | W202 L205 F214 W231 A234 S236 L239 V306 P312 | W202-F310 WeakPolarHBondContact CH2-O 3Å; W202-F310 WeakPolarHBondContact CZ3-O 3.3Å; L205-F310 HydrophobicContact CD1-CB 4.25Å; L205-F310 HydrophobicContact CD1-CD1 4.41Å; F214-F310 HydrophobicContact CZ-CE1 4.5Å; W231-F310 AromaticContact CH2-CZ 3.92Å; W231-F310 HydrophobicContact CH2-CZ 3.92Å; W231-F310 HydrophobicContact CZ3-CZ 4.32Å; A234-F310 HydrophobicContact CB-CE2 3.89Å; A234-F310 HydrophobicContact CB-CZ 4.46Å; S236-F310 VanDerWaalsContact CA-CE1 3.43Å; L239-F310 HydrophobicContact CD1-CD1 4.27Å; L239-F310 HydrophobicContact CD1-CE1 3.42Å; L239-F310 VanDerWaalsContact CD1-CE1 3.42Å; L239-F310 HydrophobicContact CD1-CZ 4.18Å; L239-F310 HydrophobicContact CG-CE1 4.18Å; V306-F310 HydrophobicContact CB-CD2 4.12Å; V306-F310 HydrophobicContact CG1-CB 4.03Å; V306-F310 HydrophobicContact CG1-CD2 3.91Å; V306-F310 HydrophobicContact CG1-CG 4.01Å; V306-F310 HydrophobicContact CG2-CD2 4.16Å; V306-F310 HydrophobicContact CG2-CE2 4.15Å; V306-F310 WeakPolarHBondContact O-CB 3.37Å; V306-F310 WeakPolarHBondContact O-CD2 3.3Å; V306-F310 PolarHBondContact O-N 2.95Å; F310-P312 WeakPolarHBondContact O-CD 3.3Å |
| 311 | L | 79.4 | Confident | 81.4 | Confident | 6 Ų | 6 | 64.4 Ų | 64.4 | 3% | 0.031 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -108.9 | 101.5 | 174.8 | -65.3 | -167.5 | 0 | 0 | 0 | 110.5 | Y315 L325 V326 C329 | L311-Y315 HydrophobicContact CD1-CD1 4.41Å; L311-Y315 HydrophobicContact CD2-CD1 3.59Å; L311-Y315 HydrophobicContact CD2-CE1 3.9Å; L311-Y315 HydrophobicContact CD2-CG 4.37Å; L311-Y315 HydrophobicContact CG-CD1 4.45Å; L311-L325 HydrophobicContact CD1-CD2 4.37Å; L311-L325 HydrophobicContact CD1-CG 4.09Å; L311-L325 HydrophobicContact CD2-CD2 3.67Å; L311-L325 HydrophobicContact CD2-CG 4.29Å; L311-L325 HydrophobicContact CG-CD2 4.16Å; L311-L325 HydrophobicContact CG-CG 4.38Å; L311-V326 HydrophobicContact CD1-CG2 4.43Å; L311-C329 HydrophobicContact CD1-CB 4.11Å; L311-C329 WeakPolarHBondContact CD1-SG 3.4Å |
| 312 | P | 76.8 | Confident | 80.3 | Confident | 45 Ų | 45 | 69.3 Ų | 69.3 | 29% | 0.292 | 35% | 0.348 | S | S | . | . | trans | -53.8 | 150.9 | 168.6 | -24.3 | 33.9 | 0 | 0 | 0 | 111.1 | W202 F310 W314 Y315 | W202-P312 HydrophobicContact CH2-CG 4.21Å; W202-P312 HydrophobicContact CZ2-CG 3.84Å; F310-P312 WeakPolarHBondContact O-CD 3.3Å; P312-W314 HydrophobicContact CB-CD2 4.3Å; P312-W314 HydrophobicContact CB-CG 4.2Å; P312-W314 HydrophobicContact CB-CZ2 4.3Å; P312-W314 HydrophobicContact CG-CZ2 4.12Å; P312-W314 PolarHBondContact O-N 2.8Å; P312-W314 VanDerWaalsContact O-N 3.14Å; P312-Y315 WeakPolarHBondContact O-CB 3.14Å; P312-Y315 PolarHBondContact O-N 3.39Å | ||
| 313 | W | 72.7 | Confident | 79.6 | Confident | 202 Ų | 202 | 69.7 Ų | 69.7 | 77% | 0.765 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -53.6 | -41.8 | -179.2 | 100.2 | 57.1 | 0 | 0 | 0 | 111.3 | Y315 K316 | W313-Y315 PolarHBondContact O-N 3.34Å; W313-K316 PolarHBondContact O-N 2.74Å |
| 314 | W | 72.2 | Confident | 79 | Confident | 120 Ų | 120 | 76.3 Ų | 76.3 | 46% | 0.455 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -67.3 | -27.8 | -174.1 | 62.1 | -102.8 | 0 | 0 | 0 | 111.6 | W202 P312 K316 M317 V318 | W202-W314 HydrophobicContact CZ2-CH2 4.47Å; W202-W314 HydrophobicContact CZ2-CZ2 4.31Å; P312-W314 HydrophobicContact CB-CD2 4.3Å; P312-W314 HydrophobicContact CB-CG 4.2Å; P312-W314 HydrophobicContact CB-CZ2 4.3Å; P312-W314 HydrophobicContact CG-CZ2 4.12Å; P312-W314 PolarHBondContact O-N 2.8Å; P312-W314 VanDerWaalsContact O-N 3.14Å; W314-K316 VanDerWaalsContact C-N 3.29Å; W314-K316 PolarHBondContact O-N 2.98Å; W314-M317 WeakPolarHBondContact O-CB 3.33Å; W314-M317 PolarHBondContact O-N 2.93Å; W314-V318 PolarHBondContact O-N 3.42Å |
| 315 | Y | 75.4 | Confident | 78.5 | Confident | 19 Ų | 19 | 71.9 Ų | 71.9 | 8% | 0.075 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 177.9 | -174.9 | -97.1 | 0 | 0 | 0 | 110.7 | T206 L311 P312 W313 M317 V318 A319 D323 V326 | T206-Y315 WeakPolarHBondContact CA-OH 3.41Å; T206-Y315 WeakPolarHBondContact CB-OH 2.98Å; T206-Y315 HydrophobicContact CG2-CE2 3.37Å; T206-Y315 WeakPolarHBondContact CG2-OH 3.24Å; L311-Y315 HydrophobicContact CD1-CD1 4.41Å; L311-Y315 HydrophobicContact CD2-CD1 3.59Å; L311-Y315 HydrophobicContact CD2-CE1 3.9Å; L311-Y315 HydrophobicContact CD2-CG 4.37Å; L311-Y315 HydrophobicContact CG-CD1 4.45Å; P312-Y315 WeakPolarHBondContact O-CB 3.14Å; P312-Y315 PolarHBondContact O-N 3.39Å; W313-Y315 PolarHBondContact O-N 3.34Å; Y315-M317 PolarHBondContact O-N 3.31Å; Y315-V318 PolarHBondContact O-N 2.92Å; Y315-A319 HydrophobicContact CD1-CB 4.12Å; Y315-A319 HydrophobicContact CE1-CB 3.71Å; Y315-A319 HydrophobicContact CE2-CB 4.48Å; Y315-A319 WeakPolarHBondContact O-CB 3.36Å; Y315-A319 PolarHBondContact O-N 3.39Å; Y315-D323 PolarHBondContact OH-OD2 3.15Å; Y315-V326 HydrophobicContact CD1-CG2 4.15Å; Y315-V326 HydrophobicContact CE1-CG2 3.85Å |
| 316 | K | 70.4 | Confident | 78 | Confident | 94 Ų | 94 | 72.5 Ų | 72.5 | 41% | 0.409 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.1 | -21.8 | 175.8 | -59.6 | -178.2 | -177.2 | 179.3 | 0 | 113.2 | W313 W314 | W313-K316 PolarHBondContact O-N 2.74Å; W314-K316 VanDerWaalsContact C-N 3.29Å; W314-K316 PolarHBondContact O-N 2.98Å |
| 317 | M | 71.9 | Confident | 77.9 | Confident | 146 Ų | 146 | 74.6 Ų | 74.6 | 72% | 0.719 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -85.6 | -29.3 | 177.5 | -62.8 | 178.1 | 169.4 | 0 | 0 | 113 | W314 Y315 | W314-M317 WeakPolarHBondContact O-CB 3.33Å; W314-M317 PolarHBondContact O-N 2.93Å; Y315-M317 PolarHBondContact O-N 3.31Å |
| 318 | V | 73.2 | Confident | 77.9 | Confident | 116 Ų | 116 | 74.3 Ų | 74.3 | 70% | 0.703 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -99.4 | -27.3 | -175.3 | -178.6 | 0 | 0 | 0 | 0 | 112 | W314 Y315 | W314-V318 PolarHBondContact O-N 3.42Å; Y315-V318 PolarHBondContact O-N 2.92Å |
| 319 | A | 72.5 | Confident | 77.9 | Confident | 23 Ų | 23 | 68 Ų | 68 | 19% | 0.19 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -64.1 | 144.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y315 D323 V326 | Y315-A319 HydrophobicContact CD1-CB 4.12Å; Y315-A319 HydrophobicContact CE1-CB 3.71Å; Y315-A319 HydrophobicContact CE2-CB 4.48Å; Y315-A319 WeakPolarHBondContact O-CB 3.36Å; Y315-A319 PolarHBondContact O-N 3.39Å; A319-D323 HydrophobicContact CB-CB 4.21Å; A319-V326 HydrophobicContact CB-CG2 3.64Å |
| 320 | S | 71.3 | Confident | 77.9 | Confident | 71 Ų | 71 | 69 Ų | 69 | 50% | 0.497 | 36% | 0.361 | S | S | . | . | trans | -60 | 148.5 | 173.7 | 174.6 | 0 | 0 | 0 | 0 | 110.9 | N322 D323 | S320-N322 PolarHBondContact O-N 3.25Å; S320-N322 PolarHBondContact OG-N 3.33Å; S320-D323 VanDerWaalsContact O-CB 3.24Å; S320-D323 WeakPolarHBondContact O-CB 3.36Å; S320-D323 PolarHBondContact O-N 3Å | ||
| 321 | S | 68.5 | Low | 78.2 | Confident | 110 Ų | 110 | 75.9 Ų | 75.9 | 77% | 0.769 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -18.8 | 170.3 | 56.9 | 0 | 0 | 0 | 0 | 113.3 | ||
| 322 | N | 72.6 | Confident | 78.5 | Confident | 139 Ų | 139 | 76.4 Ų | 76.4 | 74% | 0.743 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | 1 | 177.5 | -64 | -14.5 | 0 | 0 | 0 | 113.3 | S320 R324 | S320-N322 PolarHBondContact O-N 3.25Å; S320-N322 PolarHBondContact OG-N 3.33Å; N322-R324 PolarHBondContact O-N 3.11Å |
| 323 | D | 79.9 | Confident | 79.1 | Confident | 16 Ų | 16 | 77.4 Ų | 77.4 | 9% | 0.086 | 40% | 0.403 | C | S | . | . | trans | -67 | 115.4 | 174.1 | -176.6 | -52.9 | 0 | 0 | 0 | 109.7 | Y315 A319 S320 L325 V326 A327 | Y315-D323 PolarHBondContact OH-OD2 3.15Å; A319-D323 HydrophobicContact CB-CB 4.21Å; S320-D323 VanDerWaalsContact O-CB 3.24Å; S320-D323 WeakPolarHBondContact O-CB 3.36Å; S320-D323 PolarHBondContact O-N 3Å; D323-L325 VanDerWaalsContact C-N 3.3Å; D323-L325 PolarHBondContact O-N 3Å; D323-L325 WeakPolarHBondContact OD1-CA 3.48Å; D323-L325 WeakPolarHBondContact OD1-CB 3.49Å; D323-L325 PolarHBondContact OD1-N 2.63Å; D323-V326 HydrophobicContact CB-CB 4.01Å; D323-V326 HydrophobicContact CB-CG2 3.92Å; D323-V326 PolarHBondContact O-N 2.88Å; D323-V326 PolarHBondContact OD1-N 3.02Å; D323-A327 WeakPolarHBondContact O-CB 3.23Å; D323-A327 PolarHBondContact O-N 2.68Å | ||
| 324 | R | 82.5 | Confident | 79.8 | Confident | 143 Ų | 143 | 70.4 Ų | 70.4 | 54% | 0.54 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.1 | -33.8 | -176 | -77.5 | -172.3 | 158.5 | -167.9 | -4.1 | 113.1 | A211 D212 I215 N322 A327 L328 | A211-R324 HydrophobicContact CB-CB 4.31Å; D212-R324 WeakPolarHBondContact OD1-CD 3.44Å; D212-R324 IonicContact OD1-CZ 2.71Å; D212-R324 IonicContact OD1-NE 2.96Å; D212-R324 IonicContact OD1-NH1 2.58Å; D212-R324 PolarHBondContact OD1-NH1 2.93Å; D212-R324 IonicContact OD2-NH1 2.68Å; D212-R324 PolarHBondContact OD2-NH1 2.91Å; I215-R324 HydrophobicContact CD1-CB 4.14Å; N322-R324 PolarHBondContact O-N 3.11Å; R324-A327 PolarHBondContact O-N 2.84Å; R324-L328 WeakPolarHBondContact O-CB 3.31Å; R324-L328 PolarHBondContact O-N 3.24Å |
| 325 | L | 82.4 | Confident | 80.1 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -74.6 | -37.2 | 179.3 | -170.6 | 60.7 | 0 | 0 | 0 | 110.4 | L205 A211 L311 D323 L328 C329 | L205-L325 HydrophobicContact CB-CD2 3.83Å; L205-L325 HydrophobicContact CD1-CD2 3.59Å; L205-L325 HydrophobicContact CG-CD2 4.27Å; A211-L325 HydrophobicContact CB-CB 4.28Å; L311-L325 HydrophobicContact CD1-CD2 4.37Å; L311-L325 HydrophobicContact CD1-CG 4.09Å; L311-L325 HydrophobicContact CD2-CD2 3.67Å; L311-L325 HydrophobicContact CD2-CG 4.29Å; L311-L325 HydrophobicContact CG-CD2 4.16Å; L311-L325 HydrophobicContact CG-CG 4.38Å; D323-L325 VanDerWaalsContact C-N 3.3Å; D323-L325 PolarHBondContact O-N 3Å; D323-L325 WeakPolarHBondContact OD1-CA 3.48Å; D323-L325 WeakPolarHBondContact OD1-CB 3.49Å; D323-L325 PolarHBondContact OD1-N 2.63Å; L325-L328 HydrophobicContact CD1-CD2 3.94Å; L325-L328 WeakPolarHBondContact O-CB 3.22Å; L325-L328 PolarHBondContact O-N 3.32Å; L325-C329 VanDerWaalsContact O-CB 3.32Å; L325-C329 WeakPolarHBondContact O-CB 3.4Å; L325-C329 PolarHBondContact O-N 3.22Å; L325-C329 PolarHBondContact O-SG 3.23Å |
| 326 | V | 83.5 | Confident | 80.4 | Confident | 18 Ų | 18 | 70.5 Ų | 70.5 | 11% | 0.109 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -64.5 | -41.6 | 171.3 | 176.4 | 0 | 0 | 0 | 0 | 111.5 | L311 Y315 A319 D323 C329 T330 | L311-V326 HydrophobicContact CD1-CG2 4.43Å; Y315-V326 HydrophobicContact CD1-CG2 4.15Å; Y315-V326 HydrophobicContact CE1-CG2 3.85Å; A319-V326 HydrophobicContact CB-CG2 3.64Å; D323-V326 HydrophobicContact CB-CB 4.01Å; D323-V326 HydrophobicContact CB-CG2 3.92Å; D323-V326 PolarHBondContact O-N 2.88Å; D323-V326 PolarHBondContact OD1-N 3.02Å; V326-C329 PolarHBondContact O-N 3.06Å; V326-T330 WeakPolarHBondContact O-CB 3.49Å; V326-T330 PolarHBondContact O-N 3.39Å; V326-T330 PolarHBondContact O-OG1 3.38Å |
| 327 | A | 86.5 | Confident | 80.9 | Confident | 45 Ų | 45 | 69.2 Ų | 69.2 | 37% | 0.372 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.9 | -44.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | D323 R324 C329 T330 R331 | D323-A327 WeakPolarHBondContact O-CB 3.23Å; D323-A327 PolarHBondContact O-N 2.68Å; R324-A327 PolarHBondContact O-N 2.84Å; A327-C329 PolarHBondContact O-N 3.05Å; A327-T330 PolarHBondContact O-N 3.17Å; A327-R331 PolarHBondContact O-N 3.39Å |
| 328 | L | 87.9 | Confident | 81.5 | Confident | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.005 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -57.7 | -47.4 | 172.6 | -177.5 | 78.2 | 0 | 0 | 0 | 111.4 | I215 L218 V303 R324 L325 T330 R331 G332 S333 L334 | I215-L328 HydrophobicContact CG1-CD2 4.05Å; L218-L328 HydrophobicContact CD1-CD2 3.75Å; V303-L328 HydrophobicContact CG1-CD1 4.31Å; V303-L328 HydrophobicContact CG1-CD2 3.95Å; V303-L328 HydrophobicContact CG1-CG 3.75Å; V303-L328 HydrophobicContact CG2-CD1 4.47Å; V303-L328 HydrophobicContact CG2-CD2 4.39Å; R324-L328 WeakPolarHBondContact O-CB 3.31Å; R324-L328 PolarHBondContact O-N 3.24Å; L325-L328 HydrophobicContact CD1-CD2 3.94Å; L325-L328 WeakPolarHBondContact O-CB 3.22Å; L325-L328 PolarHBondContact O-N 3.32Å; L328-T330 VanDerWaalsContact C-N 3.3Å; L328-T330 PolarHBondContact O-N 3.16Å; L328-R331 PolarHBondContact O-N 3.35Å; L328-G332 PolarHBondContact O-N 2.92Å; L328-S333 VanDerWaalsContact CD1-O 3.25Å; L328-S333 WeakPolarHBondContact CD1-O 3.32Å; L328-L334 HydrophobicContact CD1-CD2 4.15Å |
| 329 | C | 87.7 | Confident | 82 | Confident | 18 Ų | 18 | 61.5 Ų | 61.5 | 12% | 0.122 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -70.4 | -25.6 | -178.2 | -67.7 | 0 | 0 | 0 | 0 | 114.2 | C307 L311 L325 V326 A327 | C307-C329 WeakPolarHBondContact CA-SG 3.44Å; C307-C329 HydrophobicContact CB-CB 3.6Å; C307-C329 WeakPolarHBondContact CB-SG 3.29Å; C307-C329 WeakPolarHBondContact SG-CA 3.3Å; C307-C329 WeakPolarHBondContact SG-CB 3.4Å; C307-C329 CovalentContact SG-SG 2.01Å; C307-C329 PolarHBondContact SG-SG 2.97Å; L311-C329 HydrophobicContact CD1-CB 4.11Å; L311-C329 WeakPolarHBondContact CD1-SG 3.4Å; L325-C329 VanDerWaalsContact O-CB 3.32Å; L325-C329 WeakPolarHBondContact O-CB 3.4Å; L325-C329 PolarHBondContact O-N 3.22Å; L325-C329 PolarHBondContact O-SG 3.23Å; V326-C329 PolarHBondContact O-N 3.06Å; A327-C329 PolarHBondContact O-N 3.05Å |
| 330 | T | 87.2 | Confident | 82.6 | Confident | 112 Ų | 112 | 64.1 Ų | 64.1 | 69% | 0.687 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -73.5 | -40.3 | 171.6 | -57.3 | 0 | 0 | 0 | 0 | 110.9 | V326 A327 L328 | V326-T330 WeakPolarHBondContact O-CB 3.49Å; V326-T330 PolarHBondContact O-N 3.39Å; V326-T330 PolarHBondContact O-OG1 3.38Å; A327-T330 PolarHBondContact O-N 3.17Å; L328-T330 VanDerWaalsContact C-N 3.3Å; L328-T330 PolarHBondContact O-N 3.16Å |
| 331 | R | 88.2 | Confident | 83.4 | Confident | 149 Ų | 149 | 63.6 Ų | 63.6 | 56% | 0.562 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -67 | -36.9 | 172.9 | -71.1 | -172 | -65.5 | 141.5 | 5.3 | 112.4 | A327 L328 S333 L334 | A327-R331 PolarHBondContact O-N 3.39Å; L328-R331 PolarHBondContact O-N 3.35Å; R331-S333 PolarHBondContact O-N 3.15Å; R331-L334 VanDerWaalsContact CZ-OXT 3.32Å; R331-L334 PolarHBondContact NH1-OXT 3.25Å; R331-L334 PolarHBondContact NH2-OXT 3.13Å |
| 332 | G | 85.5 | Confident | 84.6 | Confident | 18 Ų | 18 | 60 Ų | 60 | 19% | 0.186 | 32% | 0.32 | C | S | . | . | trans | 79 | 1.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | S301 L328 | S301-G332 PolarHBondContact OG-O 2.65Å; L328-G332 PolarHBondContact O-N 2.92Å | ||
| 333 | S | 88.5 | Confident | 85.6 | Confident | 66 Ų | 66 | 53.4 Ų | 53.4 | 46% | 0.462 | 29% | 0.285 | S | S | . | . | trans | -144.5 | 161.2 | 178.9 | 65.8 | 0 | 0 | 0 | 0 | 110.7 | L328 R331 | L328-S333 VanDerWaalsContact CD1-O 3.25Å; L328-S333 WeakPolarHBondContact CD1-O 3.32Å; R331-S333 PolarHBondContact O-N 3.15Å | ||
| 334 | L | 87.1 | Confident | 86.1 | Confident | 55 Ų | 55 | 56.8 Ų | 56.8 | 29% | 0.288 | 30% | 0.303 | S | S | . | . | trans | -57.7 | 0 | 174.3 | -76 | 170 | 0 | 0 | 0 | 111.5 | I215 L218 Q219 Q222 Y223 V303 L328 R331 | I215-L334 HydrophobicContact CG2-CD2 4.32Å; L218-L334 HydrophobicContact CB-CD2 3.89Å; Q219-L334 HydrophobicContact CG-CD1 4.02Å; Q219-L334 HydrophobicContact CG-CD2 3.8Å; Q219-L334 HydrophobicContact CG-CG 4.45Å; Q222-L334 HydrophobicContact CB-CD1 3.76Å; Q222-L334 HydrophobicContact CG-CD1 4.06Å; Y223-L334 HydrophobicContact CE2-CD1 4.01Å; V303-L334 HydrophobicContact CG2-CD2 4.14Å; V303-L334 HydrophobicContact CG2-CG 3.81Å; L328-L334 HydrophobicContact CD1-CD2 4.15Å; R331-L334 VanDerWaalsContact CZ-OXT 3.32Å; R331-L334 PolarHBondContact NH1-OXT 3.25Å; R331-L334 PolarHBondContact NH2-OXT 3.13Å |
Retrieved 334 of 334 residues in 252.9 ms
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