| 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 | 36.4 | Very low | 46.7 | Very low | 249 Ų | 249 | 186.5 Ų | 186.5 | 100% | 1.227 | 87% | 0.869 | S | S | * | * | 0 | 98.6 | 0 | -69.8 | -150.2 | -95.6 | 0 | 0 | 110 | |||||
| 2 | A | 40.9 | Very low | 47.9 | Very low | 105 Ų | 105 | 186.8 Ų | 186.8 | 87% | 0.868 | 87% | 0.866 | S | S | * | * | trans | -79 | 118.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | E4 | A2-E4 PolarHBondContact O-N 3.2Å; A2-E4 VanDerWaalsContact O-N 3.07Å | ||
| 3 | E | 44.5 | Very low | 49.4 | Very low | 164 Ų | 164 | 181.6 Ų | 181.6 | 77% | 0.766 | 86% | 0.859 | S | S | * | * | trans | -73.8 | 97.9 | 178.1 | -157.1 | -175.3 | -145.3 | 0 | 0 | 108.9 | K5 K181 | E3-K5 PolarHBondContact O-N 3.49Å; E3-K5 VanDerWaalsContact O-N 3.08Å; E3-K181 IonicContact OE2-NZ 2.72Å; E3-K181 PolarHBondContact OE2-NZ 3.27Å | ||
| 4 | E | 44.9 | Very low | 51.1 | Low | 169 Ų | 169 | 177.4 Ų | 177.4 | 79% | 0.79 | 85% | 0.85 | S | S | * | * | trans | -53.4 | 111.1 | 176.5 | -162.9 | -173.7 | -169.3 | 0 | 0 | 110.2 | A2 K6 | A2-E4 PolarHBondContact O-N 3.2Å; A2-E4 VanDerWaalsContact O-N 3.07Å; E4-K6 VanDerWaalsContact C-N 3.31Å; E4-K6 PolarHBondContact O-N 3.03Å | ||
| 5 | K | 48.1 | Very low | 53.1 | Low | 184 Ų | 184 | 174.3 Ų | 174.3 | 80% | 0.8 | 83% | 0.827 | S | S | * | * | trans | -68.9 | 87.4 | 177.4 | -73.5 | 175.9 | -176.1 | 159.8 | 0 | 109.1 | E3 K7 | E3-K5 PolarHBondContact O-N 3.49Å; E3-K5 VanDerWaalsContact O-N 3.08Å; K5-K7 PolarHBondContact O-N 2.99Å | ||
| 6 | K | 47.8 | Very low | 55.3 | Low | 183 Ų | 183 | 164.3 Ų | 164.3 | 80% | 0.796 | 78% | 0.78 | S | S | * | * | trans | -52.4 | 102.8 | 165.1 | -78.1 | -175.1 | 176.1 | 178.4 | 0 | 109.2 | E4 K8 | E4-K6 VanDerWaalsContact C-N 3.31Å; E4-K6 PolarHBondContact O-N 3.03Å; K6-K8 PolarHBondContact O-N 2.81Å | ||
| 7 | K | 46.9 | Very low | 57.3 | Low | 206 Ų | 206 | 157.6 Ų | 157.6 | 90% | 0.896 | 76% | 0.755 | S | S | * | * | trans | -56.7 | 113 | 171.7 | -82.7 | 176.9 | 178.1 | 170.1 | 0 | 106.9 | K5 | K5-K7 PolarHBondContact O-N 2.99Š| ||
| 8 | K | 49.3 | Very low | 59 | Low | 186 Ų | 186 | 153 Ų | 153 | 81% | 0.809 | 74% | 0.74 | S | S | * | * | trans | -54 | 137.3 | 172.6 | -73.9 | -179.9 | 178.9 | 176.4 | 0 | 108.2 | K6 R10 | K6-K8 PolarHBondContact O-N 2.81Å; K8-R10 PolarHBondContact O-N 3.15Å | ||
| 9 | P | 46.8 | Very low | 60.5 | Low | 121 Ų | 121 | 150.1 Ų | 150.1 | 79% | 0.786 | 73% | 0.728 | S | S | * | * | trans | -55.1 | 118.5 | 177.1 | 21.7 | -31.4 | 0 | 0 | 0 | 108.2 | R11 | P9-R11 PolarHBondContact O-N 2.97Š| ||
| 10 | R | 53 | Low | 61.7 | Low | 243 Ų | 243 | 145.9 Ų | 145.9 | 92% | 0.917 | 73% | 0.725 | S | S | * | * | trans | -55.6 | 115.9 | 172.6 | -77.3 | -177.6 | 169.4 | -177 | -3.4 | 105.8 | K8 K12 | K8-R10 PolarHBondContact O-N 3.15Å; R10-K12 PolarHBondContact O-N 2.75Å | ||
| 11 | R | 55.3 | Low | 62.7 | Low | 241 Ų | 241 | 149.3 Ų | 149.3 | 91% | 0.909 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 119 | 174.5 | -78.1 | -178.6 | 163.8 | -179.6 | -5.5 | 106.3 | P9 | P9-R11 PolarHBondContact O-N 2.97Š|
| 12 | K | 60.5 | Low | 64.9 | Low | 191 Ų | 191 | 141 Ų | 141 | 83% | 0.83 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 130.7 | 176.6 | -67.9 | -175.6 | 179.5 | -176.6 | 0 | 107.3 | R10 V14 | R10-K12 PolarHBondContact O-N 2.75Å; K12-V14 PolarHBondContact O-N 2.72Å |
| 13 | P | 67.2 | Low | 67 | Low | 119 Ų | 119 | 138.8 Ų | 138.8 | 77% | 0.773 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 128.9 | -179.1 | 20.5 | -31.2 | 0 | 0 | 0 | 108.3 | R15 | P13-R15 PolarHBondContact O-N 3.36Å; P13-R15 VanDerWaalsContact O-N 3.11Å |
| 14 | V | 73.6 | Confident | 69 | Low | 122 Ų | 122 | 136.6 Ų | 136.6 | 74% | 0.739 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -64 | 119.2 | -177.2 | -166.6 | 0 | 0 | 0 | 0 | 106.6 | K12 N16 | K12-V14 PolarHBondContact O-N 2.72Å; V14-N16 WeakPolarHBondContact CG1-O 3.5Å; V14-N16 PolarHBondContact O-N 3.46Å |
| 15 | R | 82 | Confident | 71.2 | Confident | 131 Ų | 131 | 132.8 Ų | 132.8 | 49% | 0.494 | 67% | 0.666 | S | S | . | * | S | Bend | trans | -58.8 | -21.3 | -174.7 | -69.6 | -179.2 | 177.1 | 179.6 | -7.8 | 113.5 | P13 M32 R36 | P13-R15 PolarHBondContact O-N 3.36Å; P13-R15 VanDerWaalsContact O-N 3.11Å; R15-M32 HydrophobicContact CB-CE 3.81Å; R15-R36 VanDerWaalsContact NH1-CA 3.35Å |
| 16 | N | 88.4 | Confident | 73.2 | Confident | 15 Ų | 15 | 131.6 Ų | 131.6 | 8% | 0.08 | 66% | 0.656 | C | S | . | * | S | Bend | trans | -132.7 | 135.7 | 173.1 | -155.7 | -6.9 | 0 | 0 | 0 | 109.4 | V14 M25 R26 F27 M32 | V14-N16 WeakPolarHBondContact CG1-O 3.5Å; V14-N16 PolarHBondContact O-N 3.46Å; N16-M25 HydrophobicContact CB-CE 3.58Å; N16-M25 WeakPolarHBondContact ND2-CB 3.39Å; N16-M25 WeakPolarHBondContact O-CE 3.37Å; N16-R26 PolarHBondContact OD1-N 3.26Å; N16-F27 PolarHBondContact ND2-O 3.39Å; N16-F27 PolarHBondContact OD1-N 3.07Å; N16-M32 HydrophobicContact CB-CE 3.93Å; N16-M32 HydrophobicContact CB-CG 4.22Å; N16-M32 HydrophobicContact CB-SD 3.59Å; N16-M32 VanDerWaalsContact CB-SD 3.59Å; N16-M32 WeakPolarHBondContact ND2-CG 3.46Å |
| 17 | S | 87.8 | Confident | 75.3 | Confident | 51 Ų | 51 | 124.1 Ų | 124.1 | 36% | 0.357 | 62% | 0.624 | S | S | . | * | trans | -116.3 | 146.2 | 178.9 | 56.6 | 0 | 0 | 0 | 0 | 110.1 | R26 | S17-R26 WeakPolarHBondContact O-CB 3.41Å; S17-R26 PolarHBondContact O-N 3.1Å | ||
| 18 | P | 89.2 | Confident | 77.5 | Confident | 74 Ų | 74 | 118 Ų | 118 | 48% | 0.481 | 61% | 0.606 | S | S | . | * | B | Isolated β-bridge | trans | -67.9 | 148 | 174.1 | 28.4 | -33.7 | 0 | 0 | 0 | 112.1 | G20 L24 M25 | P18-G20 PolarHBondContact O-N 3.22Å; P18-L24 CarbonylContact C-O 3.5Å; P18-L24 WeakPolarHBondContact CA-O 3.39Å; P18-M25 HydrophobicContact CB-SD 4.23Å |
| 19 | L | 87.6 | Confident | 79.5 | Confident | 98 Ų | 98 | 120.3 Ų | 120.3 | 51% | 0.513 | 61% | 0.61 | S | S | . | * | S | Bend | trans | -78.4 | 95.1 | 168.1 | -67.5 | 173.7 | 0 | 0 | 0 | 108.5 | S22 L24 R26 | L19-S22 PolarHBondContact O-OG 3.44Å; L19-L24 PolarHBondContact N-O 2.91Å; L19-R26 HydrophobicContact CD2-CB 4.1Å; L19-R26 HydrophobicContact CD2-CG 4.23Å; L19-R26 HydrophobicContact CG-CB 4.39Å |
| 20 | G | 84.5 | Confident | 81.7 | Confident | 65 Ų | 65 | 117.7 Ų | 117.7 | 67% | 0.67 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 61.8 | -135.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | P18 | P18-G20 PolarHBondContact O-N 3.22Š|
| 21 | K | 81.8 | Confident | 83.5 | Confident | 218 Ų | 218 | 112.5 Ų | 112.5 | 95% | 0.948 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.3 | 1.5 | -178.5 | -64.9 | 175.9 | -174.7 | 163.9 | 0 | 113.9 | G23 | K21-G23 VanDerWaalsContact C-N 3.26Å; K21-G23 PolarHBondContact O-N 3.09Å |
| 22 | S | 83.4 | Confident | 85.3 | Confident | 76 Ų | 76 | 101.6 Ų | 101.6 | 53% | 0.531 | 54% | 0.539 | S | S | . | . | S | Bend | trans | -68.8 | -20.4 | -174 | 64.1 | 0 | 0 | 0 | 0 | 114 | L19 L24 | L19-S22 PolarHBondContact O-OG 3.44Å; S22-L24 PolarHBondContact O-N 3.41Å; S22-L24 WeakPolarHBondContact OG-CB 3.32Å; S22-L24 PolarHBondContact OG-N 2.85Å |
| 23 | G | 83.6 | Confident | 86.8 | Confident | 57 Ų | 57 | 97.3 Ų | 97.3 | 59% | 0.588 | 52% | 0.518 | S | S | * | . | trans | 80.9 | -8.5 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114 | K21 | K21-G23 VanDerWaalsContact C-N 3.26Å; K21-G23 PolarHBondContact O-N 3.09Å | ||
| 24 | L | 87.8 | Confident | 87.9 | Confident | 118 Ų | 118 | 97.9 Ų | 97.9 | 62% | 0.618 | 51% | 0.51 | S | S | * | . | trans | -69.5 | 137 | 171.1 | -63.5 | 170.2 | 0 | 0 | 0 | 109.6 | P18 L19 S22 | P18-L24 CarbonylContact C-O 3.5Å; P18-L24 WeakPolarHBondContact CA-O 3.39Å; L19-L24 PolarHBondContact N-O 2.91Å; S22-L24 PolarHBondContact O-N 3.41Å; S22-L24 WeakPolarHBondContact OG-CB 3.32Å; S22-L24 PolarHBondContact OG-N 2.85Å | ||
| 25 | M | 90.6 | Very high | 88.7 | Confident | 90 Ų | 90 | 97 Ų | 97 | 44% | 0.443 | 50% | 0.497 | S | S | . | . | B | Isolated β-bridge | trans | -92 | 145.1 | -178.1 | -59.3 | -64.1 | -69.2 | 0 | 0 | 111 | N16 P18 F27 | N16-M25 HydrophobicContact CB-CE 3.58Å; N16-M25 WeakPolarHBondContact ND2-CB 3.39Å; N16-M25 WeakPolarHBondContact O-CE 3.37Å; P18-M25 HydrophobicContact CB-SD 4.23Å; M25-F27 PolarHBondContact O-N 3.39Å |
| 26 | R | 90.7 | Very high | 89.1 | Confident | 159 Ų | 159 | 96.9 Ų | 96.9 | 60% | 0.6 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -59.8 | -41.2 | -177 | -179.5 | 178.7 | -177.4 | -175.9 | 2.1 | 113.3 | N16 S17 L19 | N16-R26 PolarHBondContact OD1-N 3.26Å; S17-R26 WeakPolarHBondContact O-CB 3.41Å; S17-R26 PolarHBondContact O-N 3.1Å; L19-R26 HydrophobicContact CD2-CB 4.1Å; L19-R26 HydrophobicContact CD2-CG 4.23Å; L19-R26 HydrophobicContact CG-CB 4.39Å |
| 27 | F | 92.1 | Very high | 89.1 | Confident | 26 Ų | 26 | 97.6 Ų | 97.6 | 11% | 0.114 | 50% | 0.504 | C | S | . | . | S | Bend | trans | -103.7 | 138.6 | 178.3 | -58.6 | -56.1 | 0 | 0 | 0 | 111.1 | N16 M25 R31 M32 K35 | N16-F27 PolarHBondContact ND2-O 3.39Å; N16-F27 PolarHBondContact OD1-N 3.07Å; M25-F27 PolarHBondContact O-N 3.39Å; F27-R31 HydrophobicContact CB-CB 4.44Å; F27-R31 HydrophobicContact CD1-CG 4.37Å; F27-M32 HydrophobicContact CB-CG 3.85Å; F27-M32 HydrophobicContact CB-SD 4.03Å; F27-M32 HydrophobicContact CD2-SD 4.06Å; F27-M32 HydrophobicContact CG-SD 4.47Å; F27-K35 HydrophobicContact CD2-CD 4.36Å; F27-K35 HydrophobicContact CE2-CD 4.34Å; F27-K35 VanDerWaalsContact CE2-NZ 3.26Å |
| 28 | S | 91.8 | Very high | 89.2 | Confident | 76 Ų | 76 | 97.5 Ų | 97.5 | 53% | 0.531 | 50% | 0.501 | S | S | . | . | trans | -62.7 | 165.4 | 171.7 | 67.3 | 0 | 0 | 0 | 0 | 111.8 | A30 R31 M32 | S28-A30 VanDerWaalsContact C-N 3.34Å; S28-A30 PolarHBondContact O-N 2.92Å; S28-R31 PolarHBondContact O-N 3.1Å; S28-M32 WeakPolarHBondContact O-CB 3.23Å; S28-M32 WeakPolarHBondContact O-CG 3.5Å; S28-M32 PolarHBondContact O-N 3.49Å | ||
| 29 | R | 91.1 | Very high | 89.1 | Confident | 235 Ų | 235 | 99.1 Ų | 99.1 | 89% | 0.887 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.8 | -41.3 | -179.8 | -66 | 176.9 | 91.7 | 168.7 | 3.3 | 111.9 | M32 Y33 | R29-M32 PolarHBondContact O-N 3.43Å; R29-Y33 PolarHBondContact O-N 2.78Å |
| 30 | A | 93.5 | Very high | 89.2 | Confident | 66 Ų | 66 | 102.4 Ų | 102.4 | 55% | 0.545 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.8 | -52.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | S28 M32 Y33 E34 | S28-A30 VanDerWaalsContact C-N 3.34Å; S28-A30 PolarHBondContact O-N 2.92Å; A30-M32 PolarHBondContact O-N 3.39Å; A30-M32 VanDerWaalsContact O-N 3.15Å; A30-Y33 WeakPolarHBondContact O-CA 3.42Å; A30-Y33 VanDerWaalsContact O-CB 3.27Å; A30-Y33 WeakPolarHBondContact O-CB 3.34Å; A30-Y33 PolarHBondContact O-N 3.16Å; A30-E34 PolarHBondContact O-N 2.93Å; A30-E34 VanDerWaalsContact O-N 3.16Å |
| 31 | R | 92.2 | Very high | 89.1 | Confident | 135 Ų | 135 | 107.7 Ų | 107.7 | 51% | 0.509 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.4 | -31.2 | 177.2 | -165.3 | 170.3 | -177.8 | -177.9 | 5.8 | 112.5 | F27 S28 K35 | F27-R31 HydrophobicContact CB-CB 4.44Å; F27-R31 HydrophobicContact CD1-CG 4.37Å; S28-R31 PolarHBondContact O-N 3.1Å; R31-K35 WeakPolarHBondContact O-CB 3.1Å; R31-K35 WeakPolarHBondContact O-CG 3.24Å; R31-K35 PolarHBondContact O-N 2.99Å |
| 32 | M | 92.6 | Very high | 88.9 | Confident | 12 Ų | 12 | 102.4 Ų | 102.4 | 6% | 0.059 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -74.4 | -30.6 | 173.9 | -80.3 | -55.8 | -57.6 | 0 | 0 | 114.2 | R15 N16 F27 S28 R29 A30 R36 | R15-M32 HydrophobicContact CB-CE 3.81Å; N16-M32 HydrophobicContact CB-CE 3.93Å; N16-M32 HydrophobicContact CB-CG 4.22Å; N16-M32 HydrophobicContact CB-SD 3.59Å; N16-M32 VanDerWaalsContact CB-SD 3.59Å; N16-M32 WeakPolarHBondContact ND2-CG 3.46Å; F27-M32 HydrophobicContact CB-CG 3.85Å; F27-M32 HydrophobicContact CB-SD 4.03Å; F27-M32 HydrophobicContact CD2-SD 4.06Å; F27-M32 HydrophobicContact CG-SD 4.47Å; S28-M32 WeakPolarHBondContact O-CB 3.23Å; S28-M32 WeakPolarHBondContact O-CG 3.5Å; S28-M32 PolarHBondContact O-N 3.49Å; R29-M32 PolarHBondContact O-N 3.43Å; A30-M32 PolarHBondContact O-N 3.39Å; A30-M32 VanDerWaalsContact O-N 3.15Å; M32-R36 HydrophobicContact CE-CG 3.89Å; M32-R36 WeakPolarHBondContact O-CB 3.27Å; M32-R36 WeakPolarHBondContact O-CG 3.49Å; M32-R36 PolarHBondContact O-N 3.06Å |
| 33 | Y | 90.8 | Very high | 88.5 | Confident | 101 Ų | 101 | 102.8 Ų | 102.8 | 40% | 0.396 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.9 | -47.3 | 174.2 | 179.2 | -89.4 | 0 | 0 | 0 | 110.3 | R29 A30 R36 A37 V38 F39 I42 | R29-Y33 PolarHBondContact O-N 2.78Å; A30-Y33 WeakPolarHBondContact O-CA 3.42Å; A30-Y33 VanDerWaalsContact O-CB 3.27Å; A30-Y33 WeakPolarHBondContact O-CB 3.34Å; A30-Y33 PolarHBondContact O-N 3.16Å; Y33-R36 PolarHBondContact O-N 2.95Å; Y33-A37 PolarHBondContact O-N 2.93Å; Y33-V38 HydrophobicContact CD2-CB 3.57Å; Y33-V38 HydrophobicContact CD2-CG1 3.88Å; Y33-V38 HydrophobicContact CD2-CG2 4.02Å; Y33-V38 HydrophobicContact CE2-CB 3.55Å; Y33-V38 HydrophobicContact CE2-CG1 3.55Å; Y33-V38 HydrophobicContact CE2-CG2 4.47Å; Y33-V38 HydrophobicContact CG-CB 4.15Å; Y33-V38 HydrophobicContact CG-CG2 4.46Å; Y33-V38 PolarHBondContact O-N 2.97Å; Y33-V38 VanDerWaalsContact O-N 3.08Å; Y33-F39 HydrophobicContact CE1-CB 3.86Å; Y33-F39 HydrophobicContact CE1-CD1 4.24Å; Y33-I42 WeakPolarHBondContact OH-CD1 3.22Å |
| 34 | E | 91.6 | Very high | 88 | Confident | 131 Ų | 131 | 110.2 Ų | 110.2 | 61% | 0.612 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.8 | -53.7 | 173.6 | -69.8 | 171 | -174.9 | 0 | 0 | 112.1 | A30 R36 A37 | A30-E34 PolarHBondContact O-N 2.93Å; A30-E34 VanDerWaalsContact O-N 3.16Å; E34-R36 PolarHBondContact O-N 3.15Å; E34-R36 VanDerWaalsContact O-N 3.15Å; E34-A37 WeakPolarHBondContact O-CA 3.19Å; E34-A37 PolarHBondContact O-N 3.29Å |
| 35 | K | 89.9 | Confident | 87.5 | Confident | 104 Ų | 104 | 112.9 Ų | 112.9 | 45% | 0.452 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.5 | -29.2 | 179.4 | -83.2 | -167 | 171.7 | -164.3 | 0 | 113.7 | F27 R31 A37 | F27-K35 HydrophobicContact CD2-CD 4.36Å; F27-K35 HydrophobicContact CE2-CD 4.34Å; F27-K35 VanDerWaalsContact CE2-NZ 3.26Å; R31-K35 WeakPolarHBondContact O-CB 3.1Å; R31-K35 WeakPolarHBondContact O-CG 3.24Å; R31-K35 PolarHBondContact O-N 2.99Å; K35-A37 VanDerWaalsContact C-N 3.28Å |
| 36 | R | 89.7 | Confident | 86.5 | Confident | 128 Ų | 128 | 113.8 Ų | 113.8 | 48% | 0.483 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -8.8 | 175.6 | -73.4 | 175.3 | 178.3 | -174.1 | 4.2 | 112.8 | R15 M32 Y33 E34 V38 | R15-R36 VanDerWaalsContact NH1-CA 3.35Å; M32-R36 HydrophobicContact CE-CG 3.89Å; M32-R36 WeakPolarHBondContact O-CB 3.27Å; M32-R36 WeakPolarHBondContact O-CG 3.49Å; M32-R36 PolarHBondContact O-N 3.06Å; Y33-R36 PolarHBondContact O-N 2.95Å; E34-R36 PolarHBondContact O-N 3.15Å; E34-R36 VanDerWaalsContact O-N 3.15Å; R36-V38 HydrophobicContact CB-CG2 3.59Å; R36-V38 PolarHBondContact O-N 2.81Å |
| 37 | A | 89.9 | Confident | 85.7 | Confident | 29 Ų | 29 | 111.9 Ų | 111.9 | 24% | 0.24 | 54% | 0.538 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 43.9 | -168.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y33 E34 K35 F39 K40 | Y33-A37 PolarHBondContact O-N 2.93Å; E34-A37 WeakPolarHBondContact O-CA 3.19Å; E34-A37 PolarHBondContact O-N 3.29Å; K35-A37 VanDerWaalsContact C-N 3.28Å; A37-F39 HydrophobicContact CB-CE1 4.08Å; A37-F39 HydrophobicContact CB-CZ 4.32Å; A37-F39 PolarHBondContact O-N 2.74Å; A37-K40 HydrophobicContact CB-CD 4.37Å; A37-K40 HydrophobicContact CB-CG 4.32Å; A37-K40 PolarHBondContact O-N 3.27Å; A37-K40 VanDerWaalsContact O-N 3.08Å |
| 38 | V | 88.7 | Confident | 84.8 | Confident | 50 Ų | 50 | 116.7 Ų | 116.7 | 30% | 0.303 | 57% | 0.569 | S | S | . | * | G | 310 helix | trans | -59.2 | -37.4 | -176.3 | -179.9 | 0 | 0 | 0 | 0 | 110.1 | Y33 R36 K40 R41 I42 | Y33-V38 HydrophobicContact CD2-CB 3.57Å; Y33-V38 HydrophobicContact CD2-CG1 3.88Å; Y33-V38 HydrophobicContact CD2-CG2 4.02Å; Y33-V38 HydrophobicContact CE2-CB 3.55Å; Y33-V38 HydrophobicContact CE2-CG1 3.55Å; Y33-V38 HydrophobicContact CE2-CG2 4.47Å; Y33-V38 HydrophobicContact CG-CB 4.15Å; Y33-V38 HydrophobicContact CG-CG2 4.46Å; Y33-V38 PolarHBondContact O-N 2.97Å; Y33-V38 VanDerWaalsContact O-N 3.08Å; R36-V38 HydrophobicContact CB-CG2 3.59Å; R36-V38 PolarHBondContact O-N 2.81Å; V38-K40 PolarHBondContact O-N 3.4Å; V38-K40 VanDerWaalsContact O-N 3.16Å; V38-R41 CarbonylContact O-C 3.44Å; V38-R41 WeakPolarHBondContact O-CA 3.45Å; V38-R41 PolarHBondContact O-N 2.84Å; V38-I42 WeakPolarHBondContact O-CG1 3.46Å; V38-I42 PolarHBondContact O-N 3.3Å |
| 39 | F | 87.6 | Confident | 83.9 | Confident | 108 Ų | 108 | 118.4 Ų | 118.4 | 47% | 0.474 | 58% | 0.578 | S | S | . | * | G | 310 helix | trans | -52.8 | -33.8 | 176 | 62.6 | -89.6 | 0 | 0 | 0 | 113.8 | Y33 A37 R41 | Y33-F39 HydrophobicContact CE1-CB 3.86Å; Y33-F39 HydrophobicContact CE1-CD1 4.24Å; A37-F39 HydrophobicContact CB-CE1 4.08Å; A37-F39 HydrophobicContact CB-CZ 4.32Å; A37-F39 PolarHBondContact O-N 2.74Å; F39-R41 VanDerWaalsContact C-N 3.27Å; F39-R41 PolarHBondContact O-N 3.16Å |
| 40 | K | 89 | Confident | 83.2 | Confident | 167 Ų | 167 | 116 Ų | 116 | 73% | 0.726 | 58% | 0.577 | S | S | * | * | G | 310 helix | trans | -75.6 | -12.7 | 176.3 | -58.8 | -167 | 177.7 | -171.9 | 0 | 113.8 | A37 V38 | A37-K40 HydrophobicContact CB-CD 4.37Å; A37-K40 HydrophobicContact CB-CG 4.32Å; A37-K40 PolarHBondContact O-N 3.27Å; A37-K40 VanDerWaalsContact O-N 3.08Å; V38-K40 PolarHBondContact O-N 3.4Å; V38-K40 VanDerWaalsContact O-N 3.16Å |
| 41 | R | 82.1 | Confident | 82.2 | Confident | 175 Ų | 175 | 122.6 Ų | 122.6 | 66% | 0.66 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -113 | 3.4 | -174 | -58.8 | -178.8 | -173.9 | -169.4 | -5.5 | 113.3 | V38 F39 S43 | V38-R41 CarbonylContact O-C 3.44Å; V38-R41 WeakPolarHBondContact O-CA 3.45Å; V38-R41 PolarHBondContact O-N 2.84Å; F39-R41 VanDerWaalsContact C-N 3.27Å; F39-R41 PolarHBondContact O-N 3.16Å; R41-S43 VanDerWaalsContact C-N 3.33Å; R41-S43 PolarHBondContact O-N 3.08Å |
| 42 | I | 78.8 | Confident | 81.2 | Confident | 108 Ų | 108 | 127.5 Ų | 127.5 | 55% | 0.554 | 61% | 0.612 | S | S | * | * | trans | -70.8 | 96 | 174.6 | -62.3 | 178.8 | 0 | 0 | 0 | 106.8 | Y33 V38 | Y33-I42 WeakPolarHBondContact OH-CD1 3.22Å; V38-I42 WeakPolarHBondContact O-CG1 3.46Å; V38-I42 PolarHBondContact O-N 3.3Å | ||
| 43 | S | 74.4 | Confident | 80.4 | Confident | 83 Ų | 83 | 136.2 Ų | 136.2 | 58% | 0.58 | 65% | 0.649 | S | S | * | * | trans | -75 | 125.9 | 169.7 | 58.3 | 0 | 0 | 0 | 0 | 108.4 | R41 K45 | R41-S43 VanDerWaalsContact C-N 3.33Å; R41-S43 PolarHBondContact O-N 3.08Å; S43-K45 PolarHBondContact O-N 3.29Å; S43-K45 VanDerWaalsContact O-N 3.15Å; S43-K45 PolarHBondContact OG-O 3.29Å; S43-K45 VanDerWaalsContact OG-O 3.1Å | ||
| 44 | K | 73.7 | Confident | 79.7 | Confident | 213 Ų | 213 | 137.2 Ų | 137.2 | 93% | 0.926 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -60.9 | -20.8 | 175.5 | -68.5 | -175.5 | 177.9 | -177.5 | 0 | 113 | ||
| 45 | K | 76 | Confident | 79.1 | Confident | 175 Ų | 175 | 140.1 Ų | 140.1 | 76% | 0.761 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -100.9 | 127.4 | 179.2 | -64.5 | -178.1 | -179.4 | -179.9 | 0 | 109.8 | S43 | S43-K45 PolarHBondContact O-N 3.29Å; S43-K45 VanDerWaalsContact O-N 3.15Å; S43-K45 PolarHBondContact OG-O 3.29Å; S43-K45 VanDerWaalsContact OG-O 3.1Å |
| 46 | P | 71.2 | Confident | 78.7 | Confident | 108 Ų | 108 | 142.2 Ų | 142.2 | 70% | 0.701 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 145.7 | 168.3 | 25.8 | -31.9 | 0 | 0 | 0 | 109 | V48 | P46-V48 PolarHBondContact O-N 3.39Š|
| 47 | P | 72.2 | Confident | 78.3 | Confident | 119 Ų | 119 | 145.5 Ų | 145.5 | 77% | 0.773 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 118.6 | 173 | 24.5 | -31.2 | 0 | 0 | 0 | 108.1 | P49 | P47-P49 WeakPolarHBondContact O-CD 3.36Å; P47-P49 VanDerWaalsContact O-N 3.1Å |
| 48 | V | 74.3 | Confident | 78.1 | Confident | 128 Ų | 128 | 149 Ų | 149 | 78% | 0.776 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 119.3 | 174.3 | 179.5 | 0 | 0 | 0 | 0 | 106.5 | P46 E50 | P46-V48 PolarHBondContact O-N 3.39Å; V48-E50 PolarHBondContact O-N 3.08Å |
| 49 | P | 73.3 | Confident | 78 | Confident | 111 Ų | 111 | 150.2 Ų | 150.2 | 72% | 0.721 | 71% | 0.714 | S | S | * | * | trans | -61.1 | 115.4 | -177.8 | 23 | -31.3 | 0 | 0 | 0 | 107.9 | P47 K51 | P47-P49 WeakPolarHBondContact O-CD 3.36Å; P47-P49 VanDerWaalsContact O-N 3.1Å; P49-K51 PolarHBondContact O-N 3.46Å | ||
| 50 | E | 75.1 | Confident | 78 | Confident | 185 Ų | 185 | 148.6 Ų | 148.6 | 86% | 0.864 | 72% | 0.717 | S | S | * | * | trans | -53.7 | 110.8 | 171.1 | -80.9 | -175.6 | 170.4 | 0 | 0 | 107.7 | V48 R52 | V48-E50 PolarHBondContact O-N 3.08Å; E50-R52 PolarHBondContact O-N 3.22Å | ||
| 51 | K | 73.8 | Confident | 77.8 | Confident | 204 Ų | 204 | 146 Ų | 146 | 89% | 0.887 | 71% | 0.705 | S | S | * | * | trans | -57.2 | 106.3 | 173.9 | -75.6 | -177.1 | 179.6 | 177 | 0 | 106.8 | P49 K53 | P49-K51 PolarHBondContact O-N 3.46Å; K51-K53 PolarHBondContact O-N 2.98Å | ||
| 52 | R | 70.8 | Confident | 78 | Confident | 239 Ų | 239 | 142.8 Ų | 142.8 | 90% | 0.902 | 71% | 0.707 | S | S | * | * | trans | -54.6 | 115.7 | 178.1 | -73.4 | -179.7 | 167.1 | -179.5 | -1.8 | 108 | E50 | E50-R52 PolarHBondContact O-N 3.22Š| ||
| 53 | K | 76.4 | Confident | 78 | Confident | 194 Ų | 194 | 139.8 Ų | 139.8 | 84% | 0.843 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 130 | 175.8 | -66.5 | -175.6 | 179.8 | -176.5 | 0 | 108.9 | K51 K55 | K51-K53 PolarHBondContact O-N 2.98Å; K53-K55 PolarHBondContact O-N 3.11Å; K53-K55 VanDerWaalsContact O-N 3.17Å |
| 54 | P | 76 | Confident | 78.3 | Confident | 122 Ų | 122 | 139 Ų | 139 | 79% | 0.792 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 124.9 | -177.2 | 22.2 | -31.7 | 0 | 0 | 0 | 109.3 | Q56 | P54-Q56 PolarHBondContact O-N 3.03Å; P54-Q56 VanDerWaalsContact O-N 3.11Å |
| 55 | K | 78.5 | Confident | 78.6 | Confident | 193 Ų | 193 | 131.5 Ų | 131.5 | 84% | 0.839 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 117.7 | 176.4 | -67.8 | 179.2 | -179.1 | 176.2 | 0 | 108.1 | K53 R57 | K53-K55 PolarHBondContact O-N 3.11Å; K53-K55 VanDerWaalsContact O-N 3.17Å; K55-R57 PolarHBondContact O-N 3.17Å |
| 56 | Q | 80.8 | Confident | 78.6 | Confident | 148 Ų | 148 | 131 Ų | 131 | 69% | 0.692 | 69% | 0.685 | S | S | * | * | trans | -54.8 | 112.6 | 177 | -69.1 | 174.7 | -11.7 | 0 | 0 | 110.4 | P54 Y58 K76 | P54-Q56 PolarHBondContact O-N 3.03Å; P54-Q56 VanDerWaalsContact O-N 3.11Å; Q56-Y58 VanDerWaalsContact C-N 3.3Å; Q56-K76 VanDerWaalsContact O-CD 3.32Å; Q56-K76 WeakPolarHBondContact O-CD 3.38Å; Q56-K76 WeakPolarHBondContact O-CE 3.22Å; Q56-K76 PolarHBondContact O-NZ 3Å | ||
| 57 | R | 82.3 | Confident | 79 | Confident | 196 Ų | 196 | 136.5 Ų | 136.5 | 74% | 0.74 | 70% | 0.698 | S | S | * | * | trans | -72.5 | -23.3 | 179.9 | -69.9 | -175.3 | 175.5 | -172 | -0.5 | 113 | K55 K76 | K55-R57 PolarHBondContact O-N 3.17Å; R57-K76 PolarHBondContact O-N 3.29Å | ||
| 58 | Y | 85.9 | Confident | 79.1 | Confident | 104 Ų | 104 | 134.1 Ų | 134.1 | 41% | 0.408 | 68% | 0.679 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.5 | 150.8 | -175.4 | -56 | -88.9 | 0 | 0 | 0 | 111.3 | Q56 R73 I74 L75 | Q56-Y58 VanDerWaalsContact C-N 3.3Å; Y58-R73 HydrophobicContact CD1-CB 4.39Å; Y58-I74 CarbonylContact C-O 3.51Å; Y58-I74 WeakPolarHBondContact CA-O 3.21Å; Y58-L75 HydrophobicContact CD1-CD2 3.74Å; Y58-L75 HydrophobicContact CD1-CG 4.14Å; Y58-L75 HydrophobicContact CE1-CD2 3.32Å; Y58-L75 HydrophobicContact CE1-CG 3.83Å; Y58-L75 HydrophobicContact CE2-CD2 4.46Å; Y58-L75 HydrophobicContact CG-CD2 4.48Å |
| 59 | I | 86.4 | Confident | 79.2 | Confident | 75 Ų | 75 | 131 Ų | 131 | 39% | 0.385 | 67% | 0.673 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -119.2 | 127.3 | 163 | -66.7 | 170.9 | 0 | 0 | 0 | 106.1 | K61 I74 K76 | I59-K61 HydrophobicContact CG2-CG 4.04Å; I59-K61 PolarHBondContact O-N 2.76Å; I59-I74 PolarHBondContact N-O 2.95Å; I59-I74 PolarHBondContact O-N 3.09Å; I59-K76 HydrophobicContact CD1-CD 4.06Å; I59-K76 HydrophobicContact CD1-CG 3.53Å; I59-K76 HydrophobicContact CG1-CD 3.97Å; I59-K76 HydrophobicContact CG1-CG 3.49Å; I59-K76 VanDerWaalsContact CG1-CG 3.49Å |
| 60 | S | 86.4 | Confident | 79.4 | Confident | 74 Ų | 74 | 134.2 Ų | 134.2 | 52% | 0.517 | 68% | 0.675 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -77.5 | 116.1 | 166.4 | 54.6 | 0 | 0 | 0 | 0 | 108.8 | R72 | S60-R72 WeakPolarHBondContact CA-O 3.45Å |
| 61 | K | 85.5 | Confident | 79.9 | Confident | 112 Ų | 112 | 134.1 Ų | 134.1 | 49% | 0.487 | 67% | 0.667 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.9 | 137.7 | 169.8 | -65.9 | -161.9 | -172.4 | -179.5 | 0 | 109.5 | I59 R71 R72 I74 | I59-K61 HydrophobicContact CG2-CG 4.04Å; I59-K61 PolarHBondContact O-N 2.76Å; K61-R71 WeakPolarHBondContact O-CA 3.2Å; K61-R72 PolarHBondContact N-O 3.2Å; K61-R72 PolarHBondContact O-N 3.32Å; K61-I74 HydrophobicContact CB-CD1 3.89Å; K61-I74 HydrophobicContact CD-CD1 3.76Å; K61-I74 HydrophobicContact CG-CD1 3.86Å |
| 62 | P | 85.3 | Confident | 80.4 | Confident | 108 Ų | 108 | 130.8 Ų | 130.8 | 70% | 0.701 | 65% | 0.649 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -63.7 | 141.3 | 167.5 | 28.9 | -32.6 | 0 | 0 | 0 | 109.2 | K70 | P62-K70 VanDerWaalsContact CA-O 3.28Å; P62-K70 WeakPolarHBondContact CA-O 3.49Å |
| 63 | I | 79.9 | Confident | 81.1 | Confident | 45 Ų | 45 | 128.2 Ų | 128.2 | 23% | 0.231 | 64% | 0.639 | C | S | . | * | trans | -119.6 | 129.3 | 172.3 | -67.9 | -159.7 | 0 | 0 | 0 | 107.2 | N68 K70 R72 | I63-N68 HydrophobicContact CG2-CB 4.42Å; I63-K70 PolarHBondContact N-O 2.77Å; I63-R72 HydrophobicContact CD1-CB 3.66Å; I63-R72 HydrophobicContact CD1-CG 3.38Å; I63-R72 HydrophobicContact CG1-CB 4.18Å; I63-R72 HydrophobicContact CG1-CG 4.13Å | ||
| 64 | G | 80.2 | Confident | 81.5 | Confident | 66 Ų | 66 | 122.1 Ų | 122.1 | 68% | 0.68 | 62% | 0.615 | S | S | * | * | trans | -80.3 | 157.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 65 | G | 79.9 | Confident | 82 | Confident | 55 Ų | 55 | 119.6 Ų | 119.6 | 57% | 0.567 | 60% | 0.595 | S | S | * | * | S | Bend | trans | 113.2 | 129.9 | -180 | 0 | 0 | 0 | 0 | 0 | 112.3 | N68 | G65-N68 PolarHBondContact O-N 3.49Š|
| 66 | D | 76.8 | Confident | 82.2 | Confident | 166 Ų | 166 | 115.6 Ų | 115.6 | 89% | 0.888 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | 139.3 | 174.4 | -69.6 | -33.1 | 0 | 0 | 0 | 110 | N68 | D66-N68 VanDerWaalsContact C-N 3.3Å; D66-N68 PolarHBondContact O-N 3.03Å |
| 67 | K | 79.5 | Confident | 82 | Confident | 222 Ų | 222 | 119.3 Ų | 119.3 | 97% | 0.965 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69.5 | 7.4 | -174.5 | -49.1 | 177.7 | -178.9 | 178.4 | 0 | 116.6 | ||
| 68 | N | 75 | Confident | 81.8 | Confident | 69 Ų | 69 | 117.2 Ų | 117.2 | 37% | 0.369 | 58% | 0.581 | S | S | . | * | S | Bend | trans | -99 | 20.2 | -178.4 | -149.3 | -1.6 | 0 | 0 | 0 | 115.3 | I63 G65 D66 K70 R72 | I63-N68 HydrophobicContact CG2-CB 4.42Å; G65-N68 PolarHBondContact O-N 3.49Å; D66-N68 VanDerWaalsContact C-N 3.3Å; D66-N68 PolarHBondContact O-N 3.03Å; N68-K70 PolarHBondContact O-N 3.25Å; N68-R72 PolarHBondContact OD1-NH2 2.58Å |
| 69 | G | 76.5 | Confident | 81 | Confident | 63 Ų | 63 | 115.1 Ų | 115.1 | 65% | 0.649 | 58% | 0.581 | S | S | * | * | trans | 78.3 | 11.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | R71 | G69-R71 PolarHBondContact O-N 2.91Š| ||
| 70 | K | 76.1 | Confident | 80.1 | Confident | 178 Ų | 178 | 117.6 Ų | 117.6 | 77% | 0.774 | 60% | 0.599 | S | S | * | * | S | Bend | trans | 58 | -36.5 | 176.4 | -62.5 | -179.5 | -178.8 | 177.1 | 0 | 116.9 | P62 I63 N68 | P62-K70 VanDerWaalsContact CA-O 3.28Å; P62-K70 WeakPolarHBondContact CA-O 3.49Å; I63-K70 PolarHBondContact N-O 2.77Å; N68-K70 PolarHBondContact O-N 3.25Å |
| 71 | R | 87 | Confident | 79.2 | Confident | 184 Ų | 184 | 118.7 Ų | 118.7 | 69% | 0.694 | 61% | 0.607 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -143 | 138.4 | -176.7 | -67.7 | -176.5 | 168 | -178 | -2.4 | 111.2 | K61 G69 | K61-R71 WeakPolarHBondContact O-CA 3.2Å; G69-R71 PolarHBondContact O-N 2.91Å |
| 72 | R | 83.6 | Confident | 78.3 | Confident | 134 Ų | 134 | 116 Ų | 116 | 51% | 0.506 | 61% | 0.605 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118 | 140.3 | 167.2 | -74.8 | -165.8 | -163.5 | 170.2 | -0.4 | 112.1 | S60 K61 I63 N68 I74 | S60-R72 WeakPolarHBondContact CA-O 3.45Å; K61-R72 PolarHBondContact N-O 3.2Å; K61-R72 PolarHBondContact O-N 3.32Å; I63-R72 HydrophobicContact CD1-CB 3.66Å; I63-R72 HydrophobicContact CD1-CG 3.38Å; I63-R72 HydrophobicContact CG1-CB 4.18Å; I63-R72 HydrophobicContact CG1-CG 4.13Å; N68-R72 PolarHBondContact OD1-NH2 2.58Å; R72-I74 HydrophobicContact CB-CG1 4.43Å; R72-I74 PolarHBondContact O-N 3.42Å |
| 73 | R | 86.1 | Confident | 77.4 | Confident | 185 Ų | 185 | 114.6 Ų | 114.6 | 70% | 0.698 | 60% | 0.595 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -81.5 | 110.3 | 170.4 | -71.8 | 175.1 | 61.9 | -169 | -1.9 | 109.1 | Y58 | Y58-R73 HydrophobicContact CD1-CB 4.39Å |
| 74 | I | 84.7 | Confident | 76.8 | Confident | 66 Ų | 66 | 118 Ų | 118 | 34% | 0.338 | 62% | 0.619 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.2 | 134.5 | -179.2 | -56.7 | 173.5 | 0 | 0 | 0 | 109.1 | Y58 I59 K61 R72 K76 | Y58-I74 CarbonylContact C-O 3.51Å; Y58-I74 WeakPolarHBondContact CA-O 3.21Å; I59-I74 PolarHBondContact N-O 2.95Å; I59-I74 PolarHBondContact O-N 3.09Å; K61-I74 HydrophobicContact CB-CD1 3.89Å; K61-I74 HydrophobicContact CD-CD1 3.76Å; K61-I74 HydrophobicContact CG-CD1 3.86Å; R72-I74 HydrophobicContact CB-CG1 4.43Å; R72-I74 PolarHBondContact O-N 3.42Å; I74-K76 PolarHBondContact O-N 3.02Å |
| 75 | L | 85.1 | Confident | 75.8 | Confident | 69 Ų | 69 | 122.2 Ų | 122.2 | 36% | 0.361 | 62% | 0.619 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -63.5 | 133.2 | 173.1 | -73.2 | 166.7 | 0 | 0 | 0 | 110.8 | Y58 R77 | Y58-L75 HydrophobicContact CD1-CD2 3.74Å; Y58-L75 HydrophobicContact CD1-CG 4.14Å; Y58-L75 HydrophobicContact CE1-CD2 3.32Å; Y58-L75 HydrophobicContact CE1-CG 3.83Å; Y58-L75 HydrophobicContact CE2-CD2 4.46Å; Y58-L75 HydrophobicContact CG-CD2 4.48Å; L75-R77 PolarHBondContact O-N 3.19Å |
| 76 | K | 83.7 | Confident | 74.8 | Confident | 109 Ų | 109 | 127.5 Ų | 127.5 | 47% | 0.474 | 63% | 0.633 | S | S | . | * | S | Bend | trans | -58.5 | -33.2 | 176.4 | -76.9 | -171.9 | -178.6 | 162.9 | 0 | 113 | Q56 R57 I59 I74 | Q56-K76 VanDerWaalsContact O-CD 3.32Å; Q56-K76 WeakPolarHBondContact O-CD 3.38Å; Q56-K76 WeakPolarHBondContact O-CE 3.22Å; Q56-K76 PolarHBondContact O-NZ 3Å; R57-K76 PolarHBondContact O-N 3.29Å; I59-K76 HydrophobicContact CD1-CD 4.06Å; I59-K76 HydrophobicContact CD1-CG 3.53Å; I59-K76 HydrophobicContact CG1-CD 3.97Å; I59-K76 HydrophobicContact CG1-CG 3.49Å; I59-K76 VanDerWaalsContact CG1-CG 3.49Å; I74-K76 PolarHBondContact O-N 3.02Å |
| 77 | R | 77.5 | Confident | 74 | Confident | 225 Ų | 225 | 128.7 Ų | 128.7 | 85% | 0.849 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -132.3 | 120.3 | 175.1 | -68 | -175.5 | 174.6 | -174.4 | -3.2 | 106.9 | L75 | L75-R77 PolarHBondContact O-N 3.19Š|
| 78 | K | 77 | Confident | 73.1 | Confident | 152 Ų | 152 | 121.1 Ų | 121.1 | 66% | 0.661 | 60% | 0.602 | S | S | * | * | trans | -59.9 | 138.6 | 172.4 | -69.7 | -172.7 | 177.1 | -173.7 | 0 | 108.6 | A82 V83 | K78-A82 HydrophobicContact CB-CB 4.35Å; K78-V83 HydrophobicContact CB-CG2 4.44Å | ||
| 79 | P | 69.9 | Low | 72.6 | Confident | 61 Ų | 61 | 124.5 Ų | 124.5 | 40% | 0.396 | 63% | 0.625 | S | S | . | * | trans | -61.1 | 154.4 | 174 | 28 | -33.9 | 0 | 0 | 0 | 109.4 | S81 A82 | P79-S81 PolarHBondContact O-N 2.86Å; P79-A82 HydrophobicContact CG-CB 4.01Å; P79-A82 PolarHBondContact O-N 2.78Å | ||
| 80 | V | 67.1 | Low | 72.1 | Confident | 126 Ų | 126 | 126.8 Ų | 126.8 | 76% | 0.764 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -55.8 | -27.2 | -178.3 | -178.5 | 0 | 0 | 0 | 0 | 111.7 | ||
| 81 | S | 67.6 | Low | 71.5 | Confident | 98 Ų | 98 | 129.5 Ų | 129.5 | 69% | 0.685 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -68.7 | -26.3 | 175.9 | 51.7 | 0 | 0 | 0 | 0 | 114.9 | P79 | P79-S81 PolarHBondContact O-N 2.86Š|
| 82 | A | 66.4 | Low | 70.5 | Confident | 56 Ų | 56 | 131.1 Ų | 131.1 | 46% | 0.463 | 64% | 0.637 | S | S | . | * | G | 310 helix | trans | -94.7 | 4.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | K78 P79 | K78-A82 HydrophobicContact CB-CB 4.35Å; P79-A82 HydrophobicContact CG-CB 4.01Å; P79-A82 PolarHBondContact O-N 2.78Å |
| 83 | V | 66.5 | Low | 69.8 | Low | 78 Ų | 78 | 135.6 Ų | 135.6 | 47% | 0.473 | 65% | 0.654 | S | S | . | * | S | Bend | trans | -104.5 | 134 | 171.9 | -173.9 | 0 | 0 | 0 | 0 | 106.4 | K78 K85 | K78-V83 HydrophobicContact CB-CG2 4.44Å; V83-K85 PolarHBondContact O-N 2.97Å |
| 84 | P | 66.2 | Low | 69 | Low | 115 Ų | 115 | 132.6 Ų | 132.6 | 75% | 0.747 | 66% | 0.658 | S | S | * | * | trans | -52.2 | 117.2 | 175.9 | 17.8 | -28.9 | 0 | 0 | 0 | 108.8 | L86 | P84-L86 VanDerWaalsContact C-N 3.29Å; P84-L86 PolarHBondContact O-N 2.75Å | ||
| 85 | K | 60.3 | Low | 68.2 | Low | 156 Ų | 156 | 137.1 Ų | 137.1 | 68% | 0.678 | 68% | 0.678 | S | S | * | * | trans | -66.5 | 94.8 | 175.2 | -73.5 | 178.5 | -177.3 | 172.7 | 0 | 106.4 | V83 Y87 | V83-K85 PolarHBondContact O-N 2.97Å; K85-Y87 WeakPolarHBondContact O-CD1 3.21Å; K85-Y87 PolarHBondContact O-N 3.46Å | ||
| 86 | L | 59 | Low | 67.6 | Low | 165 Ų | 165 | 142.9 Ų | 142.9 | 86% | 0.864 | 70% | 0.7 | S | S | * | * | trans | -65 | 87.6 | 148.1 | -95.4 | 134.5 | 0 | 0 | 0 | 105.4 | P84 S88 | P84-L86 VanDerWaalsContact C-N 3.29Å; P84-L86 PolarHBondContact O-N 2.75Å; L86-S88 VanDerWaalsContact C-N 3.26Å; L86-S88 PolarHBondContact O-N 3.25Å | ||
| 87 | Y | 58.7 | Low | 66.9 | Low | 191 Ų | 191 | 146.2 Ų | 146.2 | 75% | 0.749 | 72% | 0.717 | S | S | * | * | trans | -65.5 | 94.5 | 168.2 | 45.6 | -87.5 | 0 | 0 | 0 | 106 | K85 V89 | K85-Y87 WeakPolarHBondContact O-CD1 3.21Å; K85-Y87 PolarHBondContact O-N 3.46Å; Y87-V89 HydrophobicContact CD2-CG2 4.46Å; Y87-V89 PolarHBondContact O-N 3.07Å; Y87-V89 VanDerWaalsContact O-N 3.07Å | ||
| 88 | S | 60.4 | Low | 66.4 | Low | 63 Ų | 63 | 141.1 Ų | 141.1 | 44% | 0.441 | 71% | 0.706 | S | S | . | * | trans | -63.9 | 112 | 160.1 | 57.3 | 0 | 0 | 0 | 0 | 105.7 | L86 V90 | L86-S88 VanDerWaalsContact C-N 3.26Å; L86-S88 PolarHBondContact O-N 3.25Å; S88-V90 CarbonylContact O-C 3.49Å; S88-V90 PolarHBondContact O-N 3.11Å; S88-V90 VanDerWaalsContact O-O 3.12Å; S88-V90 PolarHBondContact OG-O 2.98Å; S88-V90 VanDerWaalsContact OG-O 3.1Å | ||
| 89 | V | 66.3 | Low | 66.2 | Low | 141 Ų | 141 | 136.2 Ų | 136.2 | 86% | 0.855 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -53.5 | -23.6 | 175.1 | -174.6 | 0 | 0 | 0 | 0 | 110.6 | Y87 R91 | Y87-V89 HydrophobicContact CD2-CG2 4.46Å; Y87-V89 PolarHBondContact O-N 3.07Å; Y87-V89 VanDerWaalsContact O-N 3.07Å; V89-R91 PolarHBondContact O-N 3.31Å |
| 90 | V | 66 | Low | 66.2 | Low | 110 Ų | 110 | 138 Ų | 138 | 67% | 0.667 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -76.5 | 116.7 | 170 | -171.3 | 0 | 0 | 0 | 0 | 110.9 | S88 R92 | S88-V90 CarbonylContact O-C 3.49Å; S88-V90 PolarHBondContact O-N 3.11Å; S88-V90 VanDerWaalsContact O-O 3.12Å; S88-V90 PolarHBondContact OG-O 2.98Å; S88-V90 VanDerWaalsContact OG-O 3.1Å; V90-R92 PolarHBondContact O-N 3.09Å; V90-R92 VanDerWaalsContact O-N 3.07Å |
| 91 | R | 62.2 | Low | 66.4 | Low | 236 Ų | 236 | 140.7 Ų | 140.7 | 89% | 0.891 | 71% | 0.707 | S | S | * | * | trans | -49.6 | 117.1 | 165.3 | -75.5 | -176.6 | 176.1 | 177.2 | -0.4 | 108.6 | V89 R93 | V89-R91 PolarHBondContact O-N 3.31Å; R91-R93 PolarHBondContact O-N 2.84Å | ||
| 92 | R | 65.4 | Low | 67.1 | Low | 218 Ų | 218 | 143 Ų | 143 | 82% | 0.823 | 71% | 0.705 | S | S | * | * | trans | -57.2 | 114.5 | 174.7 | -71.4 | -173.9 | 177.2 | -174.6 | -0.3 | 108 | V90 | V90-R92 PolarHBondContact O-N 3.09Å; V90-R92 VanDerWaalsContact O-N 3.07Å | ||
| 93 | R | 69.1 | Low | 68.1 | Low | 227 Ų | 227 | 143.5 Ų | 143.5 | 86% | 0.857 | 70% | 0.699 | S | S | * | * | trans | -54.3 | 139.1 | 176.5 | -66.4 | -178.8 | -179 | -179.5 | -0.3 | 108.8 | R91 H95 | R91-R93 PolarHBondContact O-N 2.84Å; R93-H95 PolarHBondContact O-N 2.83Å | ||
| 94 | P | 70.9 | Confident | 69.2 | Low | 122 Ų | 122 | 145.9 Ų | 145.9 | 79% | 0.792 | 70% | 0.703 | S | S | * | * | trans | -56.2 | 126.9 | 175.8 | 22.7 | -31.9 | 0 | 0 | 0 | 109.1 | K96 | P94-K96 PolarHBondContact O-N 3.12Å; P94-K96 VanDerWaalsContact O-N 3.08Å | ||
| 95 | H | 67.6 | Low | 70.3 | Confident | 161 Ų | 161 | 147.6 Ų | 147.6 | 75% | 0.745 | 70% | 0.699 | S | S | * | * | trans | -67.6 | 110.1 | 177.3 | -179.6 | -81.3 | 0 | 0 | 0 | 108.1 | R93 E97 | R93-H95 PolarHBondContact O-N 2.83Å; H95-E97 PolarHBondContact O-N 3.09Å | ||
| 96 | K | 71 | Confident | 71.7 | Confident | 190 Ų | 190 | 144.4 Ų | 144.4 | 83% | 0.826 | 69% | 0.69 | S | S | * | * | trans | -62.8 | 108.1 | 172 | -67.6 | -175.8 | -180 | -177.6 | 0 | 107.9 | P94 L98 | P94-K96 PolarHBondContact O-N 3.12Å; P94-K96 VanDerWaalsContact O-N 3.08Å; K96-L98 PolarHBondContact O-N 3.13Å | ||
| 97 | E | 69.4 | Low | 73.2 | Confident | 179 Ų | 179 | 140.6 Ų | 140.6 | 84% | 0.836 | 67% | 0.667 | S | S | * | * | trans | -64.7 | 106.1 | 173.6 | -66.4 | -169.1 | 172.7 | 0 | 0 | 108.9 | H95 A99 | H95-E97 PolarHBondContact O-N 3.09Å; E97-A99 PolarHBondContact O-N 3.35Å | ||
| 98 | L | 68 | Low | 74.7 | Confident | 119 Ų | 119 | 139.7 Ų | 139.7 | 62% | 0.623 | 67% | 0.67 | S | S | * | * | trans | -62.2 | 121.6 | 170.7 | -72 | 169 | 0 | 0 | 0 | 108 | K96 | K96-L98 PolarHBondContact O-N 3.13Š| ||
| 99 | A | 72.5 | Confident | 76.3 | Confident | 49 Ų | 49 | 140 Ų | 140 | 41% | 0.405 | 66% | 0.661 | S | S | . | * | trans | -48.4 | 131.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | E97 K101 K102 | E97-A99 PolarHBondContact O-N 3.35Å; A99-K101 PolarHBondContact O-N 3.4Å; A99-K102 HydrophobicContact CB-CD 4.32Å; A99-K102 HydrophobicContact CB-CG 4.29Å; A99-K102 WeakPolarHBondContact O-CB 3.11Å; A99-K102 PolarHBondContact O-N 3.03Å | ||
| 100 | P | 69.7 | Low | 77.6 | Confident | 98 Ų | 98 | 141.4 Ų | 141.4 | 64% | 0.636 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -58.3 | -23.3 | -167.3 | 19.8 | -32.9 | 0 | 0 | 0 | 113.5 | K102 N106 | P100-K102 VanDerWaalsContact C-N 3.32Å; P100-K102 PolarHBondContact O-N 3.11Å; P100-N106 PolarHBondContact O-ND2 3.3Å |
| 101 | K | 71.9 | Confident | 79 | Confident | 183 Ų | 183 | 139.2 Ų | 139.2 | 80% | 0.796 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -71.9 | -19.5 | 176.6 | -63.8 | -179.4 | -179.2 | 174.8 | 0 | 114.1 | A99 | A99-K101 PolarHBondContact O-N 3.4Š|
| 102 | K | 81.4 | Confident | 80.5 | Confident | 146 Ų | 146 | 132.4 Ų | 132.4 | 64% | 0.635 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -85.8 | -3.7 | -177.8 | -62.8 | -174.7 | 177.5 | -174.8 | 0 | 114.1 | A99 P100 H107 | A99-K102 HydrophobicContact CB-CD 4.32Å; A99-K102 HydrophobicContact CB-CG 4.29Å; A99-K102 WeakPolarHBondContact O-CB 3.11Å; A99-K102 PolarHBondContact O-N 3.03Å; P100-K102 VanDerWaalsContact C-N 3.32Å; P100-K102 PolarHBondContact O-N 3.11Å; K102-H107 PolarHBondContact O-NE2 3.31Å; K102-H107 VanDerWaalsContact O-NE2 3.1Å |
| 103 | L | 87 | Confident | 81.9 | Confident | 66 Ų | 66 | 128 Ų | 128 | 35% | 0.346 | 62% | 0.617 | S | S | . | * | S | Bend | trans | -73.7 | 135.2 | 176.2 | -64.3 | 171.6 | 0 | 0 | 0 | 109.6 | K105 N106 H107 | L103-K105 HydrophobicContact CB-CG 4.04Å; L103-K105 PolarHBondContact O-N 2.83Å; L103-N106 PolarHBondContact O-N 3.08Å; L103-H107 PolarHBondContact O-CD2 3.07Å; L103-H107 VanDerWaalsContact O-CD2 3.27Å |
| 104 | F | 90 | Very high | 83.1 | Confident | 128 Ų | 128 | 119.6 Ų | 119.6 | 56% | 0.561 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -49.6 | -38.4 | -178.8 | 179 | -102.8 | 0 | 0 | 0 | 112.9 | N106 H107 R109 S141 | F104-N106 PolarHBondContact O-N 3.21Å; F104-N106 VanDerWaalsContact O-N 3.15Å; F104-H107 PolarHBondContact O-N 3.39Å; F104-R109 PolarHBondContact O-NH2 3.08Å; F104-S141 WeakPolarHBondContact CZ-O 3.48Å |
| 105 | K | 89.4 | Confident | 84.2 | Confident | 152 Ų | 152 | 114 Ų | 114 | 66% | 0.661 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | -59.9 | -22.3 | 178.5 | 65.2 | 178.3 | -176.8 | -175 | 0 | 114.8 | L103 | L103-K105 HydrophobicContact CB-CG 4.04Å; L103-K105 PolarHBondContact O-N 2.83Å |
| 106 | N | 88.8 | Confident | 85.5 | Confident | 89 Ų | 89 | 108.5 Ų | 108.5 | 48% | 0.476 | 53% | 0.534 | S | S | . | . | G | 310 helix | trans | -105.2 | -5.4 | -175.3 | -67 | -21.7 | 0 | 0 | 0 | 113.4 | P100 L103 F104 | P100-N106 PolarHBondContact O-ND2 3.3Å; L103-N106 PolarHBondContact O-N 3.08Å; F104-N106 PolarHBondContact O-N 3.21Å; F104-N106 VanDerWaalsContact O-N 3.15Å |
| 107 | H | 90.4 | Very high | 86.6 | Confident | 85 Ų | 85 | 103.9 Ų | 103.9 | 39% | 0.394 | 52% | 0.523 | S | S | . | . | S | Bend | trans | -65 | 141.3 | 177.3 | -72.4 | -175 | 0 | 0 | 0 | 111.3 | K102 L103 F104 | K102-H107 PolarHBondContact O-NE2 3.31Å; K102-H107 VanDerWaalsContact O-NE2 3.1Å; L103-H107 PolarHBondContact O-CD2 3.07Å; L103-H107 VanDerWaalsContact O-CD2 3.27Å; F104-H107 PolarHBondContact O-N 3.39Å |
| 108 | Q | 90.6 | Very high | 87.8 | Confident | 172 Ų | 172 | 95.3 Ų | 95.3 | 80% | 0.804 | 48% | 0.483 | S | S | * | . | trans | -68 | 137.6 | 172.1 | -65.5 | -177.8 | -8.3 | 0 | 0 | 110.3 | ||||
| 109 | R | 93.7 | Very high | 89.1 | Confident | 70 Ų | 70 | 89.7 Ų | 89.7 | 26% | 0.264 | 45% | 0.453 | S | S | . | . | trans | -99.6 | 110.7 | 175.6 | -53.5 | -51.5 | -179.9 | -144.4 | -7.4 | 108.9 | F104 K140 S141 | F104-R109 PolarHBondContact O-NH2 3.08Å; R109-K140 PolarHBondContact NE-O 3.14Å; R109-K140 VanDerWaalsContact NE-O 3.09Å; R109-S141 VanDerWaalsContact NE-C 3.34Å; R109-S141 PolarHBondContact NE-O 3.05Å; R109-S141 VanDerWaalsContact NE-O 3.15Å | ||
| 110 | K | 94.1 | Very high | 90.3 | Very high | 170 Ų | 170 | 87.3 Ų | 87.3 | 74% | 0.739 | 43% | 0.434 | S | S | * | . | trans | -92 | 145.5 | 172.4 | -62.8 | -178.9 | -178.9 | 177 | 0 | 108.4 | Q138 Q162 | K110-Q138 PolarHBondContact O-NE2 3.15Å; K110-Q162 PolarHBondContact O-OE1 2.94Å | ||
| 111 | L | 95.6 | Very high | 91.6 | Very high | 63 Ų | 63 | 82.7 Ų | 82.7 | 33% | 0.33 | 40% | 0.404 | S | S | . | . | trans | -119.2 | 141.5 | 175.1 | -170.3 | 63.8 | 0 | 0 | 0 | 108 | L115 F135 Q138 L144 | L111-L115 HydrophobicContact CD1-CB 3.92Å; L111-L115 HydrophobicContact CD1-CD1 3.78Å; L111-L115 HydrophobicContact CD2-CB 4.33Å; L111-L115 VanDerWaalsContact CD2-O 3.28Å; L111-L115 WeakPolarHBondContact CD2-O 3.02Å; L111-L115 HydrophobicContact CG-CB 3.98Å; L111-F135 HydrophobicContact CD1-CZ 4.23Å; L111-F135 HydrophobicContact CD2-CE1 4.15Å; L111-F135 HydrophobicContact CD2-CZ 4.06Å; L111-Q138 HydrophobicContact CD1-CB 4.46Å; L111-Q138 HydrophobicContact CD1-CG 4.45Å; L111-L144 HydrophobicContact CD1-CD2 3.5Å; L111-L144 VanDerWaalsContact CD1-CD2 3.5Å | ||
| 112 | K | 94.8 | Very high | 92.8 | Very high | 94 Ų | 94 | 74 Ų | 74 | 41% | 0.409 | 37% | 0.366 | S | S | . | . | trans | -63.8 | 140.6 | 174.2 | -93.8 | 162.9 | -176.7 | -166.8 | 0 | 108 | S114 L115 Q162 | K112-S114 PolarHBondContact O-N 3.24Å; K112-L115 HydrophobicContact CB-CD1 4.09Å; K112-L115 HydrophobicContact CB-CG 4.15Å; K112-L115 PolarHBondContact O-N 2.98Å; K112-Q162 HydrophobicContact CD-CG 3.98Å; K112-Q162 HydrophobicContact CG-CG 4.44Å | ||
| 113 | P | 94 | Very high | 93.5 | Very high | 126 Ų | 126 | 67.1 Ų | 67.1 | 82% | 0.818 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -27.9 | -178.9 | 24.8 | -33.8 | 0 | 0 | 0 | 113.1 | L115 | P113-L115 PolarHBondContact O-N 3.02Š|
| 114 | S | 94.1 | Very high | 93.9 | Very high | 50 Ų | 50 | 67.4 Ų | 67.4 | 35% | 0.35 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -20.4 | 174.5 | 56.3 | 0 | 0 | 0 | 0 | 113.6 | K112 T116 | K112-S114 PolarHBondContact O-N 3.24Å; S114-T116 PolarHBondContact O-N 3.2Å |
| 115 | L | 94.8 | Very high | 94.2 | Very high | 5 Ų | 5 | 63.1 Ų | 63.1 | 3% | 0.026 | 33% | 0.326 | C | S | . | . | trans | -91.5 | 83.9 | -176.6 | -62.8 | 176.8 | 0 | 0 | 0 | 111 | L111 K112 P113 V121 F135 L144 Q162 V165 | L111-L115 HydrophobicContact CD1-CB 3.92Å; L111-L115 HydrophobicContact CD1-CD1 3.78Å; L111-L115 HydrophobicContact CD2-CB 4.33Å; L111-L115 VanDerWaalsContact CD2-O 3.28Å; L111-L115 WeakPolarHBondContact CD2-O 3.02Å; L111-L115 HydrophobicContact CG-CB 3.98Å; K112-L115 HydrophobicContact CB-CD1 4.09Å; K112-L115 HydrophobicContact CB-CG 4.15Å; K112-L115 PolarHBondContact O-N 2.98Å; P113-L115 PolarHBondContact O-N 3.02Å; L115-V121 HydrophobicContact CD2-CG2 3.67Å; L115-F135 HydrophobicContact CB-CD1 4.2Å; L115-F135 HydrophobicContact CB-CE1 4.09Å; L115-F135 WeakPolarHBondContact O-CE1 3.29Å; L115-L144 HydrophobicContact CD1-CD1 3.64Å; L115-L144 HydrophobicContact CD1-CD2 4.14Å; L115-Q162 HydrophobicContact CD1-CB 4.45Å; L115-Q162 HydrophobicContact CD1-CG 3.69Å; L115-V165 HydrophobicContact CD2-CG1 3.87Å | ||
| 116 | T | 93.7 | Very high | 94.4 | Very high | 45 Ų | 45 | 58 Ų | 58 | 28% | 0.276 | 32% | 0.317 | S | S | . | . | trans | -99.4 | 146 | 171.9 | 56.1 | 0 | 0 | 0 | 0 | 111.2 | S114 G118 T119 F135 K171 | S114-T116 PolarHBondContact O-N 3.2Å; T116-G118 PolarHBondContact O-N 2.94Å; T116-T119 WeakPolarHBondContact CA-OG1 3.07Å; T116-T119 PolarHBondContact N-OG1 2.73Å; T116-T119 VanDerWaalsContact N-OG1 3.09Å; T116-T119 VanDerWaalsContact O-CB 3.22Å; T116-T119 WeakPolarHBondContact O-CB 3.32Å; T116-T119 PolarHBondContact O-N 2.69Å; T116-T119 PolarHBondContact O-OG1 2.76Å; T116-T119 PolarHBondContact OG1-OG1 2.81Å; T116-F135 WeakPolarHBondContact O-CD1 3.03Å; T116-K171 WeakPolarHBondContact OG1-CD 3.18Å; T116-K171 WeakPolarHBondContact OG1-CE 3.42Å; T116-K171 PolarHBondContact OG1-NZ 2.93Å | ||
| 117 | P | 94.3 | Very high | 94.6 | Very high | 92 Ų | 92 | 60.8 Ų | 60.8 | 60% | 0.597 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | 127.4 | 176.7 | -25.9 | 34.9 | 0 | 0 | 0 | 111.4 | ||
| 118 | G | 94.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 93.3 | -8.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | T116 F135 L172 | T116-G118 PolarHBondContact O-N 2.94Å; G118-F135 PolarHBondContact N-O 2.89Å; G118-L172 VanDerWaalsContact CA-O 3.31Å; G118-L172 WeakPolarHBondContact CA-O 3.37Å; G118-L172 PolarHBondContact O-N 3Å |
| 119 | T | 96.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 136.9 | 177.6 | -49.6 | 0 | 0 | 0 | 0 | 110.8 | T116 F135 T168 K171 | T116-T119 WeakPolarHBondContact CA-OG1 3.07Å; T116-T119 PolarHBondContact N-OG1 2.73Å; T116-T119 VanDerWaalsContact N-OG1 3.09Å; T116-T119 VanDerWaalsContact O-CB 3.22Å; T116-T119 WeakPolarHBondContact O-CB 3.32Å; T116-T119 PolarHBondContact O-N 2.69Å; T116-T119 PolarHBondContact O-OG1 2.76Å; T116-T119 PolarHBondContact OG1-OG1 2.81Å; T119-F135 WeakPolarHBondContact O-CB 3.46Å; T119-F135 PolarHBondContact O-N 3.28Å; T119-T168 WeakPolarHBondContact CG2-O 3.42Å; T119-K171 HydrophobicContact CG2-CG 4.36Å |
| 120 | I | 96.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 138.7 | 172.2 | -56.1 | 178.6 | 0 | 0 | 0 | 108.8 | R132 C133 T168 T170 L172 I241 Y244 L245 | I120-R132 HydrophobicContact CG2-CB 4.03Å; I120-C133 CarbonylContact C-O 3.43Å; I120-C133 WeakPolarHBondContact CA-O 3.33Å; I120-T168 PolarHBondContact O-N 3.04Å; I120-T168 PolarHBondContact O-OG1 2.81Å; I120-T170 HydrophobicContact CD1-CG2 3.7Å; I120-T170 HydrophobicContact CG1-CG2 4.47Å; I120-T170 PolarHBondContact N-O 3.01Å; I120-L172 HydrophobicContact CD1-CG 4.48Å; I120-L172 HydrophobicContact CG1-CG 4.42Å; I120-I241 HydrophobicContact CD1-CD1 4.49Å; I120-Y244 HydrophobicContact CB-CE1 4.5Å; I120-Y244 HydrophobicContact CD1-CD1 4Å; I120-Y244 HydrophobicContact CD1-CE1 4.06Å; I120-Y244 HydrophobicContact CG2-CD1 4.46Å; I120-Y244 HydrophobicContact CG2-CE1 3.87Å; I120-L245 HydrophobicContact CD1-CD2 4.11Å; I120-L245 HydrophobicContact CG1-CD2 4.38Å; I120-L245 HydrophobicContact CG2-CD2 3.98Å |
| 121 | V | 97.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 129.4 | -169.4 | 153.1 | 0 | 0 | 0 | 0 | 108.5 | L115 R132 C133 F135 V165 I166 | L115-V121 HydrophobicContact CD2-CG2 3.67Å; V121-R132 CarbonylContact O-C 3.52Å; V121-R132 WeakPolarHBondContact O-CA 3.31Å; V121-C133 WeakPolarHBondContact CA-O 3.22Å; V121-C133 PolarHBondContact N-O 2.96Å; V121-C133 PolarHBondContact O-N 3.41Å; V121-F135 HydrophobicContact CG2-CB 3.92Å; V121-V165 HydrophobicContact CB-CG1 4.06Å; V121-V165 HydrophobicContact CG1-CB 3.89Å; V121-V165 HydrophobicContact CG1-CG1 3.23Å; V121-V165 HydrophobicContact CG1-CG2 3.54Å; V121-V165 HydrophobicContact CG2-CG1 3.71Å; V121-I166 CarbonylContact C-O 3.6Å; V121-I166 VanDerWaalsContact CA-O 3.29Å; V121-I166 WeakPolarHBondContact CA-O 3.47Å |
| 122 | I | 97 | Very high | 95.4 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 120.5 | 170.6 | -56.6 | 165.2 | 0 | 0 | 0 | 107.9 | L124 R132 V165 I166 T168 W249 F262 | I122-L124 HydrophobicContact CG2-CD2 4.28Å; I122-R132 HydrophobicContact CG1-CG 4.37Å; I122-V165 WeakPolarHBondContact O-CA 3.32Å; I122-I166 HydrophobicContact CB-CB 4.23Å; I122-I166 PolarHBondContact N-O 2.97Å; I122-I166 PolarHBondContact O-N 3.07Å; I122-I166 VanDerWaalsContact O-N 3.07Å; I122-T168 HydrophobicContact CD1-CG2 3.91Å; I122-T168 HydrophobicContact CG1-CG2 4.04Å; I122-W249 HydrophobicContact CD1-CB 4.32Å; I122-W249 HydrophobicContact CD1-CD2 4.14Å; I122-W249 HydrophobicContact CD1-CG 3.83Å; I122-W249 HydrophobicContact CG1-CB 4.44Å; I122-W249 HydrophobicContact CG1-CG 4.44Å; I122-W249 HydrophobicContact CG2-CB 3.83Å; I122-W249 HydrophobicContact CG2-CD2 3.92Å; I122-W249 HydrophobicContact CG2-CE3 3.75Å; I122-W249 HydrophobicContact CG2-CG 3.98Å; I122-F262 HydrophobicContact CD1-CD1 3.9Å; I122-F262 HydrophobicContact CD1-CE1 4.15Å |
| 123 | T | 96.9 | Very high | 95.4 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 124.2 | 176.4 | -61 | 0 | 0 | 0 | 0 | 109.8 | A125 H128 R129 G130 K131 I160 | T123-A125 WeakPolarHBondContact CG2-O 3.42Å; T123-H128 WeakPolarHBondContact CB-O 3.26Å; T123-R129 CarbonylContact O-C 3.6Å; T123-R129 VanDerWaalsContact O-CA 3.31Å; T123-R129 WeakPolarHBondContact O-CA 3.33Å; T123-G130 PolarHBondContact O-N 3.21Å; T123-K131 PolarHBondContact N-O 3.4Å; T123-I160 HydrophobicContact CG2-CD1 3.81Å; T123-I160 WeakPolarHBondContact OG1-CD1 3.45Å |
| 124 | L | 96.2 | Very high | 95.5 | Very high | 73 Ų | 73 | 38.3 Ų | 38.3 | 38% | 0.382 | 21% | 0.213 | S | C | . | . | trans | -94.9 | -26.3 | -178.7 | -61.7 | -179.8 | 0 | 0 | 0 | 113.6 | I122 R129 Y164 I166 W249 | I122-L124 HydrophobicContact CG2-CD2 4.28Å; L124-R129 WeakPolarHBondContact O-CB 3.42Å; L124-Y164 PolarHBondContact N-O 3.44Å; L124-I166 HydrophobicContact CD1-CD1 4.08Å; L124-I166 HydrophobicContact CD1-CG1 3.83Å; L124-I166 HydrophobicContact CD2-CD1 3.88Å; L124-I166 HydrophobicContact CD2-CG1 4.22Å; L124-I166 HydrophobicContact CG-CD1 4.34Å; L124-I166 HydrophobicContact CG-CG1 4.17Å; L124-W249 HydrophobicContact CD2-CE3 4.35Å; L124-W249 HydrophobicContact CD2-CZ3 3.85Å | ||
| 125 | A | 95.1 | Very high | 95.7 | Very high | 38 Ų | 38 | 36 Ų | 36 | 31% | 0.314 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -122.6 | 148.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | T123 Y164 | T123-A125 WeakPolarHBondContact CG2-O 3.42Å; A125-Y164 HydrophobicContact CB-CD1 3.85Å; A125-Y164 HydrophobicContact CB-CD2 4.11Å; A125-Y164 HydrophobicContact CB-CG 3.62Å |
| 126 | G | 94.2 | Very high | 95.7 | Very high | 45 Ų | 45 | 36 Ų | 36 | 46% | 0.464 | 20% | 0.197 | S | C | . | . | S | Bend | trans | 92.4 | -167.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | H128 R129 | G126-H128 PolarHBondContact O-N 2.94Å; G126-R129 PolarHBondContact O-N 3.47Å |
| 127 | L | 93.3 | Very high | 95.7 | Very high | 147 Ų | 147 | 36.1 Ų | 36.1 | 77% | 0.77 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -25.5 | -176.5 | -176.1 | 62.3 | 0 | 0 | 0 | 113.5 | ||
| 128 | H | 95.3 | Very high | 95.8 | Very high | 21 Ų | 21 | 34.5 Ų | 34.5 | 10% | 0.097 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 28.3 | -178.6 | -55.4 | -67.8 | 0 | 0 | 0 | 112.1 | T123 G126 K131 G154 C155 | T123-H128 WeakPolarHBondContact CB-O 3.26Å; G126-H128 PolarHBondContact O-N 2.94Å; H128-K131 HydrophobicContact CB-CB 4.4Å; H128-K131 HydrophobicContact CB-CD 3.99Å; H128-K131 HydrophobicContact CB-CG 4.26Å; H128-K131 WeakPolarHBondContact O-CB 3.46Å; H128-K131 PolarHBondContact O-N 3.5Å; H128-G154 PolarHBondContact CE1-O 3.05Å; H128-C155 HydrophobicContact CB-CB 4.44Å; H128-C155 VanDerWaalsContact CG-SG 3.55Å |
| 129 | R | 95.3 | Very high | 95.8 | Very high | 187 Ų | 187 | 34.9 Ų | 34.9 | 71% | 0.706 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 145.2 | 173.9 | 67.4 | 178.2 | -173.1 | -110.1 | 2 | 111 | T123 L124 G126 K131 | T123-R129 CarbonylContact O-C 3.6Å; T123-R129 VanDerWaalsContact O-CA 3.31Å; T123-R129 WeakPolarHBondContact O-CA 3.33Å; L124-R129 WeakPolarHBondContact O-CB 3.42Å; G126-R129 PolarHBondContact O-N 3.47Å; R129-K131 PolarHBondContact O-N 3.33Å; R129-K131 VanDerWaalsContact O-N 3.11Å |
| 130 | G | 95.3 | Very high | 95.7 | Very high | 11 Ų | 11 | 43.5 Ų | 43.5 | 11% | 0.113 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | -19.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | T123 R132 W249 | T123-G130 PolarHBondContact O-N 3.21Å; G130-R132 PolarHBondContact O-N 3.04Å; G130-W249 VanDerWaalsContact CA-O 3.24Å; G130-W249 WeakPolarHBondContact CA-O 3.44Å; G130-W249 WeakPolarHBondContact O-CB 3.45Å; G130-W249 PolarHBondContact O-N 3.03Å |
| 131 | K | 96.9 | Very high | 95.5 | Very high | 62 Ų | 62 | 44.7 Ų | 44.7 | 27% | 0.27 | 23% | 0.226 | S | C | . | . | trans | -70.9 | 137.9 | -176.8 | -58.5 | -164 | 178.6 | -164.9 | 0 | 111.6 | T123 H128 R129 N153 C155 | T123-K131 PolarHBondContact N-O 3.4Å; H128-K131 HydrophobicContact CB-CB 4.4Å; H128-K131 HydrophobicContact CB-CD 3.99Å; H128-K131 HydrophobicContact CB-CG 4.26Å; H128-K131 WeakPolarHBondContact O-CB 3.46Å; H128-K131 PolarHBondContact O-N 3.5Å; R129-K131 PolarHBondContact O-N 3.33Å; R129-K131 VanDerWaalsContact O-N 3.11Å; K131-N153 VanDerWaalsContact CD-O 3.32Å; K131-N153 WeakPolarHBondContact CD-O 3.32Å; K131-N153 WeakPolarHBondContact CE-O 3.47Å; K131-N153 PolarHBondContact NZ-O 2.75Å; K131-C155 HydrophobicContact CD-CB 4.38Å | ||
| 132 | R | 97 | Very high | 95.4 | Very high | 27 Ų | 27 | 45.3 Ų | 45.3 | 10% | 0.102 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 119.5 | 174.2 | -52.7 | -161.8 | -176.5 | 92 | -1.8 | 109.4 | I120 V121 I122 G130 N153 Y244 L245 T247 | I120-R132 HydrophobicContact CG2-CB 4.03Å; V121-R132 CarbonylContact O-C 3.52Å; V121-R132 WeakPolarHBondContact O-CA 3.31Å; I122-R132 HydrophobicContact CG1-CG 4.37Å; G130-R132 PolarHBondContact O-N 3.04Å; R132-N153 PolarHBondContact O-ND2 2.84Å; R132-Y244 VanDerWaalsContact CD-CE1 3.4Å; R132-Y244 VanDerWaalsContact CD-O 3.28Å; R132-Y244 WeakPolarHBondContact CD-O 3.47Å; R132-Y244 PolarHBondContact NH1-O 3.4Å; R132-L245 HydrophobicContact CB-CD2 4.23Å; R132-T247 PolarHBondContact NH1-O 2.96Å |
| 133 | C | 96.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 160.7 | -172.7 | -57.6 | 0 | 0 | 0 | 0 | 110.4 | I120 V121 V146 C155 | I120-C133 CarbonylContact C-O 3.43Å; I120-C133 WeakPolarHBondContact CA-O 3.33Å; V121-C133 WeakPolarHBondContact CA-O 3.22Å; V121-C133 PolarHBondContact N-O 2.96Å; V121-C133 PolarHBondContact O-N 3.41Å; C133-V146 HydrophobicContact CB-CG1 3.12Å; C133-C155 VanDerWaalsContact SG-SG 3.67Å |
| 134 | V | 96.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 127.7 | -179.7 | -173.9 | 0 | 0 | 0 | 0 | 109.8 | L136 V146 T147 L172 I228 L245 | V134-L136 HydrophobicContact CG1-CD2 4.44Å; V134-V146 WeakPolarHBondContact O-CA 3.28Å; V134-T147 PolarHBondContact N-O 3.16Å; V134-T147 PolarHBondContact O-N 3.11Å; V134-L172 HydrophobicContact CG1-CD1 4.34Å; V134-L172 HydrophobicContact CG2-CD1 3.71Å; V134-I228 HydrophobicContact CB-CD1 4.49Å; V134-I228 HydrophobicContact CG2-CG2 4.29Å; V134-L245 HydrophobicContact CG2-CD2 4.39Å |
| 135 | F | 96.6 | Very high | 95.4 | Very high | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.009 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 126.8 | 173.4 | 173.7 | -121.2 | 0 | 0 | 0 | 110.9 | L111 L115 T116 G118 T119 V121 K137 Q138 L144 V146 | L111-F135 HydrophobicContact CD1-CZ 4.23Å; L111-F135 HydrophobicContact CD2-CE1 4.15Å; L111-F135 HydrophobicContact CD2-CZ 4.06Å; L115-F135 HydrophobicContact CB-CD1 4.2Å; L115-F135 HydrophobicContact CB-CE1 4.09Å; L115-F135 WeakPolarHBondContact O-CE1 3.29Å; T116-F135 WeakPolarHBondContact O-CD1 3.03Å; G118-F135 PolarHBondContact N-O 2.89Å; T119-F135 WeakPolarHBondContact O-CB 3.46Å; T119-F135 PolarHBondContact O-N 3.28Å; V121-F135 HydrophobicContact CG2-CB 3.92Å; F135-K137 WeakPolarHBondContact CE2-O 3.49Å; F135-Q138 HydrophobicContact CZ-CB 4.47Å; F135-L144 HydrophobicContact CD2-CB 3.9Å; F135-L144 HydrophobicContact CD2-CD1 4.35Å; F135-L144 HydrophobicContact CD2-CD2 4.25Å; F135-L144 HydrophobicContact CD2-CG 4.38Å; F135-L144 HydrophobicContact CE2-CB 3.76Å; F135-L144 HydrophobicContact CE2-CD1 4.41Å; F135-L144 HydrophobicContact CE2-CD2 3.51Å; F135-L144 HydrophobicContact CE2-CG 4.06Å; F135-L144 HydrophobicContact CZ-CD2 3.99Å; F135-V146 HydrophobicContact CD2-CG2 4.41Å |
| 136 | L | 95 | Very high | 95.4 | Very high | 5 Ų | 5 | 42.3 Ų | 42.3 | 3% | 0.026 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | -57.8 | -177.8 | -59.2 | 179 | 0 | 0 | 0 | 112.5 | V134 L145 T147 L157 L174 V179 V224 I228 | V134-L136 HydrophobicContact CG1-CD2 4.44Å; L136-L145 HydrophobicContact CB-CD2 4.48Å; L136-L145 HydrophobicContact CB-CG 4.45Å; L136-L145 HydrophobicContact CD1-CD2 4.2Å; L136-L145 HydrophobicContact CD1-CG 4.21Å; L136-L145 PolarHBondContact N-O 3.33Å; L136-T147 HydrophobicContact CD1-CG2 3.77Å; L136-T147 HydrophobicContact CD2-CG2 4.1Å; L136-T147 HydrophobicContact CG-CG2 4.03Å; L136-L157 HydrophobicContact CD1-CD2 3.68Å; L136-L174 HydrophobicContact CD2-CD1 3.96Å; L136-V179 HydrophobicContact CB-CG2 3.99Å; L136-V224 HydrophobicContact CD1-CG1 3.74Å; L136-I228 HydrophobicContact CD2-CD1 4.26Å |
| 137 | K | 94.6 | Very high | 95.5 | Very high | 47 Ų | 47 | 40.1 Ų | 40.1 | 20% | 0.204 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 155.4 | -177.9 | 67.5 | 174.6 | -178 | 177.2 | 0 | 111.9 | F135 L145 V179 L183 | F135-K137 WeakPolarHBondContact CE2-O 3.49Å; K137-L145 HydrophobicContact CD-CD2 4.41Å; K137-L145 HydrophobicContact CG-CB 3.99Å; K137-L145 HydrophobicContact CG-CD2 4.01Å; K137-L145 WeakPolarHBondContact O-CB 3.44Å; K137-L145 PolarHBondContact O-N 3.31Å; K137-V179 HydrophobicContact CD-CB 4.07Å; K137-V179 HydrophobicContact CD-CG1 3.92Å; K137-V179 HydrophobicContact CD-CG2 4.4Å; K137-V179 HydrophobicContact CG-CG1 4.46Å; K137-L183 WeakPolarHBondContact CE-O 3.4Å; K137-L183 PolarHBondContact NZ-O 3.3Å |
| 138 | Q | 95.3 | Very high | 95.6 | Very high | 57 Ų | 57 | 33.1 Ų | 33.1 | 27% | 0.266 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 133.4 | 165.2 | -167 | 176.7 | 31.7 | 0 | 0 | 110 | K110 L111 F135 G142 | K110-Q138 PolarHBondContact O-NE2 3.15Å; L111-Q138 HydrophobicContact CD1-CB 4.46Å; L111-Q138 HydrophobicContact CD1-CG 4.45Å; F135-Q138 HydrophobicContact CZ-CB 4.47Å; Q138-G142 PolarHBondContact NE2-O 3.12Å |
| 139 | L | 95.4 | Very high | 95.5 | Very high | 8 Ų | 8 | 32.1 Ų | 32.1 | 4% | 0.042 | 15% | 0.148 | C | C | . | . | trans | -84 | 166.6 | 174.4 | -62.6 | 178.5 | 0 | 0 | 0 | 111.4 | S141 G142 L143 L145 R159 D185 F188 | L139-S141 PolarHBondContact O-N 3.1Å; L139-G142 WeakPolarHBondContact O-CA 3.36Å; L139-G142 PolarHBondContact O-N 3.23Å; L139-L143 WeakPolarHBondContact CB-O 3.28Å; L139-L143 PolarHBondContact N-O 3.15Å; L139-L145 HydrophobicContact CD2-CB 4.28Å; L139-L145 HydrophobicContact CG-CB 4.24Å; L139-R159 HydrophobicContact CD1-CG 3.52Å; L139-D185 WeakPolarHBondContact CB-OD2 3.35Å; L139-F188 HydrophobicContact CD1-CD2 4.47Å | ||
| 140 | K | 93.3 | Very high | 95.5 | Very high | 181 Ų | 181 | 27 Ų | 27 | 79% | 0.787 | 13% | 0.133 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -30.7 | -177.8 | -171.9 | 178.7 | 179 | -177.5 | 0 | 112.3 | R109 G142 D185 | R109-K140 PolarHBondContact NE-O 3.14Å; R109-K140 VanDerWaalsContact NE-O 3.09Å; K140-G142 PolarHBondContact O-N 3.36Å; K140-D185 PolarHBondContact N-OD2 3.19Å |
| 141 | S | 93.7 | Very high | 95.4 | Very high | 25 Ų | 25 | 35.4 Ų | 35.4 | 18% | 0.175 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -17.2 | 171.5 | 60.7 | 0 | 0 | 0 | 0 | 114 | F104 R109 L139 L143 D185 | F104-S141 WeakPolarHBondContact CZ-O 3.48Å; R109-S141 VanDerWaalsContact NE-C 3.34Å; R109-S141 PolarHBondContact NE-O 3.05Å; R109-S141 VanDerWaalsContact NE-O 3.15Å; L139-S141 PolarHBondContact O-N 3.1Å; S141-L143 WeakPolarHBondContact OG-CB 3.39Å; S141-L143 WeakPolarHBondContact OG-CG 3.47Å; S141-L143 PolarHBondContact OG-N 3.22Å; S141-D185 VanDerWaalsContact CB-OD1 3.26Å; S141-D185 WeakPolarHBondContact CB-OD1 3.46Å; S141-D185 WeakPolarHBondContact CB-OD2 3.27Å; S141-D185 PolarHBondContact N-OD2 2.6Å; S141-D185 PolarHBondContact OG-OD1 3.23Å; S141-D185 PolarHBondContact OG-OD2 2.95Å |
| 142 | G | 94.3 | Very high | 95.2 | Very high | 14 Ų | 14 | 34.8 Ų | 34.8 | 14% | 0.144 | 17% | 0.167 | C | C | . | . | S | Bend | trans | 93.6 | -10.3 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q138 L139 K140 | Q138-G142 PolarHBondContact NE2-O 3.12Å; L139-G142 WeakPolarHBondContact O-CA 3.36Å; L139-G142 PolarHBondContact O-N 3.23Å; K140-G142 PolarHBondContact O-N 3.36Å |
| 143 | L | 96.5 | Very high | 95 | Very high | 49 Ų | 49 | 34.1 Ų | 34.1 | 26% | 0.257 | 17% | 0.165 | S | C | . | . | P | Polyproline II helix | trans | -68.8 | 149.5 | 175.1 | -61.5 | 175.5 | 0 | 0 | 0 | 111 | L139 S141 R159 N161 | L139-L143 WeakPolarHBondContact CB-O 3.28Å; L139-L143 PolarHBondContact N-O 3.15Å; S141-L143 WeakPolarHBondContact OG-CB 3.39Å; S141-L143 WeakPolarHBondContact OG-CG 3.47Å; S141-L143 PolarHBondContact OG-N 3.22Å; L143-R159 HydrophobicContact CB-CB 4.34Å; L143-R159 HydrophobicContact CD1-CB 4.12Å; L143-N161 HydrophobicContact CD2-CB 3.98Å |
| 144 | L | 96.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 133.3 | 175.5 | -51.3 | -176.4 | 0 | 0 | 0 | 109.4 | L111 L115 F135 V146 R159 I160 Q162 V165 | L111-L144 HydrophobicContact CD1-CD2 3.5Å; L111-L144 VanDerWaalsContact CD1-CD2 3.5Å; L115-L144 HydrophobicContact CD1-CD1 3.64Å; L115-L144 HydrophobicContact CD1-CD2 4.14Å; F135-L144 HydrophobicContact CD2-CB 3.9Å; F135-L144 HydrophobicContact CD2-CD1 4.35Å; F135-L144 HydrophobicContact CD2-CD2 4.25Å; F135-L144 HydrophobicContact CD2-CG 4.38Å; F135-L144 HydrophobicContact CE2-CB 3.76Å; F135-L144 HydrophobicContact CE2-CD1 4.41Å; F135-L144 HydrophobicContact CE2-CD2 3.51Å; F135-L144 HydrophobicContact CE2-CG 4.06Å; F135-L144 HydrophobicContact CZ-CD2 3.99Å; L144-V146 HydrophobicContact CB-CG2 3.89Å; L144-R159 CarbonylContact O-C 3.54Å; L144-R159 VanDerWaalsContact O-CA 3.29Å; L144-R159 WeakPolarHBondContact O-CA 3.41Å; L144-I160 PolarHBondContact N-O 3.05Å; L144-I160 PolarHBondContact O-N 3.07Å; L144-Q162 HydrophobicContact CD1-CB 4.11Å; L144-Q162 HydrophobicContact CD2-CB 4.27Å; L144-Q162 HydrophobicContact CG-CB 4.17Å; L144-V165 HydrophobicContact CD1-CB 4.25Å; L144-V165 HydrophobicContact CD1-CG1 3.98Å; L144-V165 HydrophobicContact CD1-CG2 4.21Å |
| 145 | L | 96.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 117.8 | 163.1 | -179 | 64 | 0 | 0 | 0 | 108.3 | L136 K137 L139 L157 V179 L183 F188 | L136-L145 HydrophobicContact CB-CD2 4.48Å; L136-L145 HydrophobicContact CB-CG 4.45Å; L136-L145 HydrophobicContact CD1-CD2 4.2Å; L136-L145 HydrophobicContact CD1-CG 4.21Å; L136-L145 PolarHBondContact N-O 3.33Å; K137-L145 HydrophobicContact CD-CD2 4.41Å; K137-L145 HydrophobicContact CG-CB 3.99Å; K137-L145 HydrophobicContact CG-CD2 4.01Å; K137-L145 WeakPolarHBondContact O-CB 3.44Å; K137-L145 PolarHBondContact O-N 3.31Å; L139-L145 HydrophobicContact CD2-CB 4.28Å; L139-L145 HydrophobicContact CG-CB 4.24Å; L145-L157 HydrophobicContact CD1-CD2 4.08Å; L145-L157 HydrophobicContact CD2-CD2 4.48Å; L145-L157 HydrophobicContact CG-CD2 4.32Å; L145-V179 HydrophobicContact CD2-CG1 3.8Å; L145-L183 HydrophobicContact CD2-CB 4.19Å; L145-L183 HydrophobicContact CD2-CD1 4.33Å; L145-F188 HydrophobicContact CD1-CE1 4.42Å; L145-F188 HydrophobicContact CD1-CE2 3.55Å; L145-F188 HydrophobicContact CD1-CZ 3.49Å; L145-F188 VanDerWaalsContact CD1-CZ 3.49Å |
| 146 | V | 95.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 148.1 | -174.4 | 175.2 | 0 | 0 | 0 | 0 | 108.4 | C133 V134 F135 L144 L157 R158 I160 | C133-V146 HydrophobicContact CB-CG1 3.12Å; V134-V146 WeakPolarHBondContact O-CA 3.28Å; F135-V146 HydrophobicContact CD2-CG2 4.41Å; L144-V146 HydrophobicContact CB-CG2 3.89Å; V146-L157 WeakPolarHBondContact O-CA 3.37Å; V146-R158 PolarHBondContact N-O 2.88Å; V146-R158 PolarHBondContact O-N 3.05Å; V146-I160 HydrophobicContact CB-CD1 4.15Å; V146-I160 HydrophobicContact CG1-CD1 4.21Å; V146-I160 HydrophobicContact CG2-CD1 4.38Å |
| 147 | T | 96.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 131.1 | 170.3 | -171 | 0 | 0 | 0 | 0 | 108.8 | V134 L136 L157 Q221 V224 D225 I228 | V134-T147 PolarHBondContact N-O 3.16Å; V134-T147 PolarHBondContact O-N 3.11Å; L136-T147 HydrophobicContact CD1-CG2 3.77Å; L136-T147 HydrophobicContact CD2-CG2 4.1Å; L136-T147 HydrophobicContact CG-CG2 4.03Å; T147-L157 HydrophobicContact CG2-CD2 4.42Å; T147-Q221 PolarHBondContact OG1-NE2 2.76Å; T147-V224 HydrophobicContact CG2-CG1 4.01Å; T147-D225 PolarHBondContact OG1-OD1 3.49Å; T147-I228 HydrophobicContact CG2-CD1 3.1Å |
| 148 | G | 94.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -93 | 127.6 | 158.8 | 0 | 0 | 0 | 0 | 0 | 106.4 | L150 N153 C155 | G148-L150 PolarHBondContact O-N 2.74Å; G148-N153 VanDerWaalsContact C-OD1 3.23Å; G148-N153 WeakPolarHBondContact CA-ND2 3.17Å; G148-N153 WeakPolarHBondContact CA-OD1 3.41Å; G148-N153 PolarHBondContact O-OD1 2.79Å; G148-C155 CarbonylContact C-O 3.56Å; G148-C155 PolarHBondContact N-O 2.97Å | ||
| 149 | P | 94.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -47.2 | 117.6 | -179.2 | -29.2 | 36.4 | 0 | 0 | 0 | 109.7 | K151 L152 N153 I228 F229 I232 L245 | P149-K151 PolarHBondContact O-N 2.83Å; P149-L152 HydrophobicContact CB-CB 4.33Å; P149-L152 HydrophobicContact CB-CD1 3.95Å; P149-L152 HydrophobicContact CB-CG 4.11Å; P149-L152 HydrophobicContact CG-CD1 4.09Å; P149-L152 PolarHBondContact O-N 2.93Å; P149-N153 PolarHBondContact O-N 3.31Å; P149-N153 PolarHBondContact O-OD1 3.13Å; P149-I228 HydrophobicContact CG-CG2 3.71Å; P149-F229 HydrophobicContact CB-CE1 4.45Å; P149-F229 HydrophobicContact CB-CE2 3.96Å; P149-F229 HydrophobicContact CB-CZ 3.79Å; P149-I232 HydrophobicContact CG-CD1 4.47Å; P149-L245 HydrophobicContact CG-CD1 4.37Å | ||
| 150 | L | 94.8 | Very high | 94.9 | Very high | 78 Ų | 78 | 40.7 Ų | 40.7 | 41% | 0.408 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -59.2 | -32.9 | -159.9 | -177.7 | 70 | 0 | 0 | 0 | 111.2 | G148 G154 P156 Q221 D225 | G148-L150 PolarHBondContact O-N 2.74Å; L150-G154 VanDerWaalsContact O-CA 3.27Å; L150-G154 WeakPolarHBondContact O-CA 3.32Å; L150-G154 PolarHBondContact O-N 3.48Å; L150-P156 HydrophobicContact CD1-CB 4.16Å; L150-Q221 HydrophobicContact CB-CG 4.11Å; L150-Q221 HydrophobicContact CD2-CG 4.08Å; L150-D225 WeakPolarHBondContact CB-OD2 3.36Å; L150-D225 PolarHBondContact N-OD2 3.27Å |
| 151 | K | 93 | Very high | 95 | Very high | 188 Ų | 188 | 35 Ų | 35 | 82% | 0.817 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -68.7 | -26.8 | 176.6 | -64.1 | -172.2 | 174.8 | -169.8 | 0 | 114.6 | P149 F229 | P149-K151 PolarHBondContact O-N 2.83Å; K151-F229 HydrophobicContact CB-CE2 4.48Å; K151-F229 HydrophobicContact CB-CZ 4.16Å; K151-F229 HydrophobicContact CD-CE2 4.49Å |
| 152 | L | 93.2 | Very high | 95.1 | Very high | 50 Ų | 50 | 35.2 Ų | 35.2 | 26% | 0.262 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -87.2 | -51.6 | -177.9 | -66.6 | 179.5 | 0 | 0 | 0 | 111.6 | P149 F229 L245 | P149-L152 HydrophobicContact CB-CB 4.33Å; P149-L152 HydrophobicContact CB-CD1 3.95Å; P149-L152 HydrophobicContact CB-CG 4.11Å; P149-L152 HydrophobicContact CG-CD1 4.09Å; P149-L152 PolarHBondContact O-N 2.93Å; L152-F229 HydrophobicContact CD1-CE1 4.02Å; L152-F229 HydrophobicContact CD1-CZ 4.33Å; L152-F229 HydrophobicContact CD2-CE1 4.32Å; L152-F229 HydrophobicContact CG-CE1 4.02Å; L152-F229 HydrophobicContact CG-CZ 3.99Å; L152-L245 HydrophobicContact CD1-CB 4.12Å; L152-L245 HydrophobicContact CD1-CD1 4.18Å |
| 153 | N | 92.6 | Very high | 95.2 | Very high | 12 Ų | 12 | 40.2 Ų | 40.2 | 6% | 0.064 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -128.6 | 1.6 | -169.1 | 67.8 | 14 | 0 | 0 | 0 | 114.3 | K131 R132 G148 P149 C155 L245 | K131-N153 VanDerWaalsContact CD-O 3.32Å; K131-N153 WeakPolarHBondContact CD-O 3.32Å; K131-N153 WeakPolarHBondContact CE-O 3.47Å; K131-N153 PolarHBondContact NZ-O 2.75Å; R132-N153 PolarHBondContact O-ND2 2.84Å; G148-N153 VanDerWaalsContact C-OD1 3.23Å; G148-N153 WeakPolarHBondContact CA-ND2 3.17Å; G148-N153 WeakPolarHBondContact CA-OD1 3.41Å; G148-N153 PolarHBondContact O-OD1 2.79Å; P149-N153 PolarHBondContact O-N 3.31Å; P149-N153 PolarHBondContact O-OD1 3.13Å; N153-C155 PolarHBondContact O-N 2.86Å; N153-C155 PolarHBondContact OD1-N 2.76Å; N153-L245 WeakPolarHBondContact CB-O 3.32Å; N153-L245 PolarHBondContact ND2-O 2.88Å |
| 154 | G | 94.3 | Very high | 95.2 | Very high | 34 Ų | 34 | 43.6 Ų | 43.6 | 35% | 0.351 | 21% | 0.212 | S | C | . | . | trans | 66.6 | 16.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | H128 L150 P156 | H128-G154 PolarHBondContact CE1-O 3.05Å; L150-G154 VanDerWaalsContact O-CA 3.27Å; L150-G154 WeakPolarHBondContact O-CA 3.32Å; L150-G154 PolarHBondContact O-N 3.48Å; G154-P156 VanDerWaalsContact O-CD 3.29Å; G154-P156 WeakPolarHBondContact O-CD 3.41Å | ||
| 155 | C | 95.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -94.7 | 100.2 | 176.1 | -170.7 | 0 | 0 | 0 | 0 | 111.1 | H128 K131 C133 G148 N153 | H128-C155 HydrophobicContact CB-CB 4.44Å; H128-C155 VanDerWaalsContact CG-SG 3.55Å; K131-C155 HydrophobicContact CD-CB 4.38Å; C133-C155 VanDerWaalsContact SG-SG 3.67Å; G148-C155 CarbonylContact C-O 3.56Å; G148-C155 PolarHBondContact N-O 2.97Å; N153-C155 PolarHBondContact O-N 2.86Å; N153-C155 PolarHBondContact OD1-N 2.76Å | ||
| 156 | P | 95.7 | Very high | 95.2 | Very high | 49 Ų | 49 | 45.6 Ų | 45.6 | 32% | 0.318 | 22% | 0.223 | S | C | . | . | trans | -65.7 | 172.6 | -178.8 | 31.5 | -37.2 | 0 | 0 | 0 | 111.7 | L150 G154 R158 | L150-P156 HydrophobicContact CD1-CB 4.16Å; G154-P156 VanDerWaalsContact O-CD 3.29Å; G154-P156 WeakPolarHBondContact O-CD 3.41Å; P156-R158 WeakPolarHBondContact O-CB 3.42Å; P156-R158 PolarHBondContact O-N 2.91Å | ||
| 157 | L | 95.9 | Very high | 95.2 | Very high | 16 Ų | 16 | 46.1 Ų | 46.1 | 8% | 0.084 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -49.2 | 113.4 | 166.6 | -80.9 | 164.8 | 0 | 0 | 0 | 110 | L136 L145 V146 T147 L183 F188 D220 Q221 V224 | L136-L157 HydrophobicContact CD1-CD2 3.68Å; L145-L157 HydrophobicContact CD1-CD2 4.08Å; L145-L157 HydrophobicContact CD2-CD2 4.48Å; L145-L157 HydrophobicContact CG-CD2 4.32Å; V146-L157 WeakPolarHBondContact O-CA 3.37Å; T147-L157 HydrophobicContact CG2-CD2 4.42Å; L157-L183 HydrophobicContact CD1-CD1 4.21Å; L157-F188 HydrophobicContact CB-CE1 4.19Å; L157-F188 HydrophobicContact CB-CZ 4.21Å; L157-F188 WeakPolarHBondContact O-CE1 3.43Å; L157-D220 HydrophobicContact CD1-CB 4.49Å; L157-Q221 VanDerWaalsContact CB-OE1 3.3Å; L157-V224 HydrophobicContact CD1-CB 4.26Å; L157-V224 HydrophobicContact CD1-CG2 3.94Å; L157-V224 HydrophobicContact CD2-CG1 4.22Å; L157-V224 HydrophobicContact CD2-CG2 4.37Å |
| 158 | R | 94.7 | Very high | 95.2 | Very high | 89 Ų | 89 | 46.3 Ų | 46.3 | 34% | 0.336 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 151.2 | -170.5 | -162.8 | 172.1 | -155.8 | -77.3 | 3.6 | 111.6 | V146 P156 I160 | V146-R158 PolarHBondContact N-O 2.88Å; V146-R158 PolarHBondContact O-N 3.05Å; P156-R158 WeakPolarHBondContact O-CB 3.42Å; P156-R158 PolarHBondContact O-N 2.91Å; R158-I160 HydrophobicContact CG-CG1 4.47Å |
| 159 | R | 96 | Very high | 95.2 | Very high | 60 Ų | 60 | 53.5 Ų | 53.5 | 23% | 0.226 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 131.1 | 169.4 | -59 | -169.3 | -64.7 | -178.8 | -10 | 110.4 | L139 L143 L144 D185 F188 | L139-R159 HydrophobicContact CD1-CG 3.52Å; L143-R159 HydrophobicContact CB-CB 4.34Å; L143-R159 HydrophobicContact CD1-CB 4.12Å; L144-R159 CarbonylContact O-C 3.54Å; L144-R159 VanDerWaalsContact O-CA 3.29Å; L144-R159 WeakPolarHBondContact O-CA 3.41Å; R159-D185 PolarHBondContact NH1-O 3.41Å; R159-D185 VanDerWaalsContact NH1-O 3.1Å; R159-D185 IonicContact NH1-OD1 2.84Å; R159-D185 PolarHBondContact NH1-OD1 2.86Å; R159-F188 HydrophobicContact CG-CB 3.79Å; R159-F188 HydrophobicContact CG-CD1 4.48Å; R159-F188 HydrophobicContact CG-CD2 3.82Å; R159-F188 HydrophobicContact CG-CG 3.78Å; R159-F188 VanDerWaalsContact NH2-C 3.31Å; R159-F188 PolarHBondContact NH2-O 3.11Å |
| 160 | I | 95.8 | Very high | 95.3 | Very high | 10 Ų | 10 | 55.5 Ų | 55.5 | 5% | 0.051 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 144.8 | 178.3 | -55.6 | 178 | 0 | 0 | 0 | 108.9 | T123 L144 V146 R158 V165 | T123-I160 HydrophobicContact CG2-CD1 3.81Å; T123-I160 WeakPolarHBondContact OG1-CD1 3.45Å; L144-I160 PolarHBondContact N-O 3.05Å; L144-I160 PolarHBondContact O-N 3.07Å; V146-I160 HydrophobicContact CB-CD1 4.15Å; V146-I160 HydrophobicContact CG1-CD1 4.21Å; V146-I160 HydrophobicContact CG2-CD1 4.38Å; R158-I160 HydrophobicContact CG-CG1 4.47Å; I160-V165 HydrophobicContact CB-CG2 4.4Å; I160-V165 HydrophobicContact CG2-CG2 3.62Å |
| 161 | N | 96 | Very high | 95.2 | Very high | 61 Ų | 61 | 56.7 Ų | 56.7 | 33% | 0.326 | 28% | 0.275 | S | S | . | . | trans | -77.5 | 136.3 | 173.4 | -172.1 | -13.6 | 0 | 0 | 0 | 109.4 | L143 I163 Y164 | L143-N161 HydrophobicContact CD2-CB 3.98Å; N161-I163 PolarHBondContact O-N 3.45Å; N161-I163 VanDerWaalsContact O-N 3.1Å; N161-I163 PolarHBondContact OD1-N 3.06Å; N161-Y164 HydrophobicContact CB-CD2 3.86Å; N161-Y164 HydrophobicContact CB-CE2 4.23Å; N161-Y164 PolarHBondContact O-N 3.27Å | ||
| 162 | Q | 95.7 | Very high | 95.2 | Very high | 30 Ų | 30 | 47.9 Ų | 47.9 | 14% | 0.14 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -54.1 | -25.4 | 176.7 | 173.5 | 178.7 | -24.8 | 0 | 0 | 114.6 | K110 K112 L115 L144 Y164 | K110-Q162 PolarHBondContact O-OE1 2.94Å; K112-Q162 HydrophobicContact CD-CG 3.98Å; K112-Q162 HydrophobicContact CG-CG 4.44Å; L115-Q162 HydrophobicContact CD1-CB 4.45Å; L115-Q162 HydrophobicContact CD1-CG 3.69Å; L144-Q162 HydrophobicContact CD1-CB 4.11Å; L144-Q162 HydrophobicContact CD2-CB 4.27Å; L144-Q162 HydrophobicContact CG-CB 4.17Å; Q162-Y164 VanDerWaalsContact C-N 3.31Å |
| 163 | I | 96.2 | Very high | 95.1 | Very high | 119 Ų | 119 | 51.4 Ų | 51.4 | 61% | 0.61 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -66.3 | -35.7 | 176.7 | -62.2 | 174.2 | 0 | 0 | 0 | 111.1 | N161 V165 | N161-I163 PolarHBondContact O-N 3.45Å; N161-I163 VanDerWaalsContact O-N 3.1Å; N161-I163 PolarHBondContact OD1-N 3.06Å; I163-V165 PolarHBondContact O-N 3.04Å |
| 164 | Y | 96.1 | Very high | 94.9 | Very high | 119 Ų | 119 | 52.2 Ų | 52.2 | 47% | 0.467 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -93.4 | 28.5 | -176.1 | -54.9 | -57.6 | 0 | 0 | 0 | 113.2 | L124 A125 N161 Q162 | L124-Y164 PolarHBondContact N-O 3.44Å; A125-Y164 HydrophobicContact CB-CD1 3.85Å; A125-Y164 HydrophobicContact CB-CD2 4.11Å; A125-Y164 HydrophobicContact CB-CG 3.62Å; N161-Y164 HydrophobicContact CB-CD2 3.86Å; N161-Y164 HydrophobicContact CB-CE2 4.23Å; N161-Y164 PolarHBondContact O-N 3.27Å; Q162-Y164 VanDerWaalsContact C-N 3.31Å |
| 165 | V | 96.6 | Very high | 94.3 | Very high | 3 Ų | 3 | 52.8 Ų | 52.8 | 2% | 0.018 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 128.5 | -172.9 | 152.7 | 0 | 0 | 0 | 0 | 108.9 | L115 V121 I122 L144 I160 I163 | L115-V165 HydrophobicContact CD2-CG1 3.87Å; V121-V165 HydrophobicContact CB-CG1 4.06Å; V121-V165 HydrophobicContact CG1-CB 3.89Å; V121-V165 HydrophobicContact CG1-CG1 3.23Å; V121-V165 HydrophobicContact CG1-CG2 3.54Å; V121-V165 HydrophobicContact CG2-CG1 3.71Å; I122-V165 WeakPolarHBondContact O-CA 3.32Å; L144-V165 HydrophobicContact CD1-CB 4.25Å; L144-V165 HydrophobicContact CD1-CG1 3.98Å; L144-V165 HydrophobicContact CD1-CG2 4.21Å; I160-V165 HydrophobicContact CB-CG2 4.4Å; I160-V165 HydrophobicContact CG2-CG2 3.62Å; I163-V165 PolarHBondContact O-N 3.04Å |
| 166 | I | 96.4 | Very high | 93.7 | Very high | 39 Ų | 39 | 56.4 Ų | 56.4 | 20% | 0.2 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 122.5 | 164.9 | -53.8 | 177 | 0 | 0 | 0 | 106.8 | V121 I122 L124 W249 F262 | V121-I166 CarbonylContact C-O 3.6Å; V121-I166 VanDerWaalsContact CA-O 3.29Å; V121-I166 WeakPolarHBondContact CA-O 3.47Å; I122-I166 HydrophobicContact CB-CB 4.23Å; I122-I166 PolarHBondContact N-O 2.97Å; I122-I166 PolarHBondContact O-N 3.07Å; I122-I166 VanDerWaalsContact O-N 3.07Å; L124-I166 HydrophobicContact CD1-CD1 4.08Å; L124-I166 HydrophobicContact CD1-CG1 3.83Å; L124-I166 HydrophobicContact CD2-CD1 3.88Å; L124-I166 HydrophobicContact CD2-CG1 4.22Å; L124-I166 HydrophobicContact CG-CD1 4.34Å; L124-I166 HydrophobicContact CG-CG1 4.17Å; I166-W249 HydrophobicContact CD1-CH2 4.43Å; I166-F262 HydrophobicContact CD1-CE1 4.14Å; I166-F262 HydrophobicContact CD1-CZ 4.2Å; I166-F262 HydrophobicContact CG2-CB 3.68Å; I166-F262 HydrophobicContact CG2-CD1 3.74Å; I166-F262 HydrophobicContact CG2-CD2 4.03Å; I166-F262 HydrophobicContact CG2-CE1 4.38Å; I166-F262 HydrophobicContact CG2-CG 3.53Å |
| 167 | G | 96 | Very high | 93.2 | Very high | 12 Ų | 12 | 56.6 Ų | 56.6 | 12% | 0.124 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 121.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||
| 168 | T | 96.3 | Very high | 92.8 | Very high | 3 Ų | 3 | 65.5 Ų | 65.5 | 2% | 0.018 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 166.3 | 179.4 | 67 | 0 | 0 | 0 | 0 | 111.1 | T119 I120 I122 T170 F262 | T119-T168 WeakPolarHBondContact CG2-O 3.42Å; I120-T168 PolarHBondContact O-N 3.04Å; I120-T168 PolarHBondContact O-OG1 2.81Å; I122-T168 HydrophobicContact CD1-CG2 3.91Å; I122-T168 HydrophobicContact CG1-CG2 4.04Å; T168-T170 VanDerWaalsContact C-N 3.25Å; T168-T170 PolarHBondContact O-N 2.92Å; T168-F262 WeakPolarHBondContact CA-OXT 3.39Å; T168-F262 WeakPolarHBondContact CB-OXT 3.19Å |
| 169 | K | 95.4 | Very high | 92.5 | Very high | 152 Ų | 152 | 62.6 Ų | 62.6 | 66% | 0.661 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.1 | -23.1 | 172.4 | -79 | 170.1 | -176 | -172.3 | 0 | 112.7 | K171 V261 F262 | K169-K171 PolarHBondContact O-N 3.06Å; K169-V261 HydrophobicContact CD-CG1 3.92Å; K169-F262 VanDerWaalsContact CG-O 3.32Å; K169-F262 WeakPolarHBondContact CG-O 3.27Å; K169-F262 PolarHBondContact N-O 3.36Å; K169-F262 PolarHBondContact N-OXT 3.29Å |
| 170 | T | 94.7 | Very high | 92.2 | Very high | 42 Ų | 42 | 60.7 Ų | 60.7 | 26% | 0.258 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 124.8 | -179.9 | -40.2 | 0 | 0 | 0 | 0 | 111.5 | I120 T168 I241 | I120-T170 HydrophobicContact CD1-CG2 3.7Å; I120-T170 HydrophobicContact CG1-CG2 4.47Å; I120-T170 PolarHBondContact N-O 3.01Å; T168-T170 VanDerWaalsContact C-N 3.25Å; T168-T170 PolarHBondContact O-N 2.92Å; T170-I241 HydrophobicContact CG2-CD1 3.8Å |
| 171 | K | 93.9 | Very high | 91.9 | Very high | 103 Ų | 103 | 67.9 Ų | 67.9 | 45% | 0.448 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 136.3 | -179.2 | -62.9 | 177.8 | -172.3 | -176 | 0 | 111 | T116 T119 K169 R235 | T116-K171 WeakPolarHBondContact OG1-CD 3.18Å; T116-K171 WeakPolarHBondContact OG1-CE 3.42Å; T116-K171 PolarHBondContact OG1-NZ 2.93Å; T119-K171 HydrophobicContact CG2-CG 4.36Å; K169-K171 PolarHBondContact O-N 3.06Å; K171-R235 PolarHBondContact O-NH1 3.48Å |
| 172 | L | 93 | Very high | 91.7 | Very high | 3 Ų | 3 | 71 Ų | 71 | 2% | 0.016 | 36% | 0.358 | C | S | . | . | trans | -95.8 | 125.7 | 168.1 | -60.5 | 178.7 | 0 | 0 | 0 | 109 | G118 I120 V134 L174 I228 I232 I241 | G118-L172 VanDerWaalsContact CA-O 3.31Å; G118-L172 WeakPolarHBondContact CA-O 3.37Å; G118-L172 PolarHBondContact O-N 3Å; I120-L172 HydrophobicContact CD1-CG 4.48Å; I120-L172 HydrophobicContact CG1-CG 4.42Å; V134-L172 HydrophobicContact CG1-CD1 4.34Å; V134-L172 HydrophobicContact CG2-CD1 3.71Å; L172-L174 PolarHBondContact O-N 2.67Å; L172-I228 HydrophobicContact CD1-CG2 4.29Å; L172-I232 HydrophobicContact CD1-CD1 4.45Å; L172-I232 HydrophobicContact CD1-CG1 3.99Å; L172-I232 HydrophobicContact CD2-CG1 4.3Å; L172-I241 HydrophobicContact CD2-CG2 3.96Å | ||
| 173 | D | 91.5 | Very high | 91.6 | Very high | 124 Ų | 124 | 69.5 Ų | 69.5 | 66% | 0.663 | 35% | 0.351 | S | S | * | . | trans | -75 | 108.1 | 171.7 | -178.8 | 22.8 | 0 | 0 | 0 | 110 | G175 A231 | D173-G175 PolarHBondContact O-N 2.94Å; D173-G175 PolarHBondContact OD1-N 3.44Å; D173-A231 VanDerWaalsContact O-CB 3.23Å; D173-A231 WeakPolarHBondContact O-CB 3.19Å | ||
| 174 | L | 86.9 | Confident | 91.4 | Very high | 28 Ų | 28 | 67.7 Ų | 67.7 | 15% | 0.147 | 34% | 0.342 | C | S | . | . | trans | -81 | -1.5 | 177.5 | -60.1 | 177.6 | 0 | 0 | 0 | 112.4 | L136 L172 G176 F177 I228 A231 | L136-L174 HydrophobicContact CD2-CD1 3.96Å; L172-L174 PolarHBondContact O-N 2.67Å; L174-G176 PolarHBondContact O-N 3.03Å; L174-F177 HydrophobicContact CB-CB 4.49Å; L174-F177 VanDerWaalsContact O-CB 3.24Å; L174-F177 WeakPolarHBondContact O-CB 3.45Å; L174-F177 PolarHBondContact O-N 2.62Å; L174-F177 VanDerWaalsContact O-N 3.09Å; L174-I228 HydrophobicContact CD2-CG1 4.21Å; L174-A231 HydrophobicContact CD2-CB 4.19Å | ||
| 175 | G | 83.1 | Confident | 91.3 | Very high | 47 Ų | 47 | 63.2 Ų | 63.2 | 49% | 0.485 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52 | -134.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | D173 F177 | D173-G175 PolarHBondContact O-N 2.94Å; D173-G175 PolarHBondContact OD1-N 3.44Å; G175-F177 PolarHBondContact O-N 3.42Å |
| 176 | G | 81.7 | Confident | 91.1 | Very high | 76 Ų | 76 | 68.4 Ų | 68.4 | 78% | 0.784 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | 7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | L174 R178 | L174-G176 PolarHBondContact O-N 3.03Å; G176-R178 PolarHBondContact O-N 3.4Å; G176-R178 VanDerWaalsContact O-N 3.12Å |
| 177 | F | 85.6 | Confident | 91 | Very high | 53 Ų | 53 | 68.9 Ų | 68.9 | 23% | 0.232 | 35% | 0.354 | C | S | . | . | trans | -65.5 | 116.8 | -174.5 | -179.6 | -106.1 | 0 | 0 | 0 | 111.8 | L174 G175 V179 V224 A227 | L174-F177 HydrophobicContact CB-CB 4.49Å; L174-F177 VanDerWaalsContact O-CB 3.24Å; L174-F177 WeakPolarHBondContact O-CB 3.45Å; L174-F177 PolarHBondContact O-N 2.62Å; L174-F177 VanDerWaalsContact O-N 3.09Å; G175-F177 PolarHBondContact O-N 3.42Å; F177-V179 HydrophobicContact CE1-CG2 4.28Å; F177-V224 HydrophobicContact CE1-CG1 4.4Å; F177-V224 HydrophobicContact CE1-CG2 4.47Å; F177-V224 HydrophobicContact CZ-CB 4.45Å; F177-V224 HydrophobicContact CZ-CG2 4.08Å; F177-A227 HydrophobicContact CB-CB 4.31Å; F177-A227 HydrophobicContact CD1-CB 4.08Å; F177-A227 HydrophobicContact CD2-CB 3.32Å; F177-A227 HydrophobicContact CE1-CB 4.23Å; F177-A227 HydrophobicContact CE2-CB 3.5Å; F177-A227 VanDerWaalsContact CE2-CB 3.5Å; F177-A227 HydrophobicContact CG-CB 3.63Å; F177-A227 HydrophobicContact CZ-CB 3.96Å | ||
| 178 | R | 86.4 | Confident | 90.9 | Very high | 202 Ų | 202 | 69.3 Ų | 69.3 | 76% | 0.762 | 35% | 0.352 | S | S | * | . | trans | -99.6 | 115.6 | 175.7 | -66.2 | -178.1 | -179.1 | -176.7 | 0.3 | 109.9 | G176 | G176-R178 PolarHBondContact O-N 3.4Å; G176-R178 VanDerWaalsContact O-N 3.12Å | ||
| 179 | V | 88.7 | Confident | 90.7 | Very high | 29 Ų | 29 | 77 Ų | 77 | 18% | 0.176 | 38% | 0.381 | C | S | . | . | trans | -53.3 | 126.3 | 172.7 | -176.8 | 0 | 0 | 0 | 0 | 109.6 | L136 K137 L145 F177 K181 L183 | L136-V179 HydrophobicContact CB-CG2 3.99Å; K137-V179 HydrophobicContact CD-CB 4.07Å; K137-V179 HydrophobicContact CD-CG1 3.92Å; K137-V179 HydrophobicContact CD-CG2 4.4Å; K137-V179 HydrophobicContact CG-CG1 4.46Å; L145-V179 HydrophobicContact CD2-CG1 3.8Å; F177-V179 HydrophobicContact CE1-CG2 4.28Å; V179-K181 PolarHBondContact O-N 2.92Å; V179-L183 HydrophobicContact CG1-CB 4.29Å; V179-L183 HydrophobicContact CG1-CD1 3.84Å | ||
| 180 | P | 90.2 | Very high | 90.4 | Very high | 20 Ų | 20 | 79.9 Ų | 79.9 | 13% | 0.13 | 39% | 0.388 | C | S | . | . | trans | -50.1 | 132.1 | -179.6 | -29.3 | 33.8 | 0 | 0 | 0 | 112.8 | R182 L183 K223 | P180-R182 HydrophobicContact CB-CG 4Å; P180-R182 PolarHBondContact O-N 3.29Å; P180-R182 VanDerWaalsContact O-N 3.07Å; P180-L183 HydrophobicContact CB-CD1 4.41Å; P180-L183 HydrophobicContact CB-CG 4.33Å; P180-L183 HydrophobicContact CG-CD1 4.33Å; P180-L183 WeakPolarHBondContact O-CB 3.21Å; P180-L183 PolarHBondContact O-N 3.09Å; P180-K223 HydrophobicContact CG-CD 4.49Å | ||
| 181 | K | 90.3 | Very high | 90.1 | Very high | 160 Ų | 160 | 84.5 Ų | 84.5 | 70% | 0.696 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -24 | -178.8 | -66.8 | 178.7 | -171.6 | 164.4 | 0 | 112.9 | E3 V179 L183 N184 | E3-K181 IonicContact OE2-NZ 2.72Å; E3-K181 PolarHBondContact OE2-NZ 3.27Å; V179-K181 PolarHBondContact O-N 2.92Å; K181-L183 VanDerWaalsContact C-N 3.28Å; K181-L183 PolarHBondContact O-N 3.05Å; K181-N184 PolarHBondContact O-ND2 2.78Å; K181-N184 PolarHBondContact O-OD1 2.88Å; K181-N184 VanDerWaalsContact O-OD1 3.13Å |
| 182 | R | 91.6 | Very high | 89.5 | Confident | 126 Ų | 126 | 88.8 Ų | 88.8 | 48% | 0.475 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -24 | 177.3 | 66.1 | -179.5 | 176.6 | -171.2 | 1.6 | 114 | P180 N184 Y187 D220 | P180-R182 HydrophobicContact CB-CG 4Å; P180-R182 PolarHBondContact O-N 3.29Å; P180-R182 VanDerWaalsContact O-N 3.07Å; R182-N184 PolarHBondContact O-N 3.15Å; R182-Y187 WeakPolarHBondContact O-CB 3.4Å; R182-D220 VanDerWaalsContact CZ-CG 3.43Å; R182-D220 IonicContact CZ-OD1 3.5Å; R182-D220 IonicContact CZ-OD2 3.36Å; R182-D220 IonicContact NE-OD1 2.99Å; R182-D220 PolarHBondContact NE-OD1 3.01Å; R182-D220 IonicContact NE-OD2 3.34Å; R182-D220 PolarHBondContact NE-OD2 3.1Å; R182-D220 IonicContact NH2-OD1 3.84Å; R182-D220 PolarHBondContact NH2-OD1 2.69Å; R182-D220 IonicContact NH2-OD2 3.06Å; R182-D220 PolarHBondContact NH2-OD2 2.98Å |
| 183 | L | 92.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 92.8 Ų | 92.8 | 0% | 0 | 47% | 0.468 | C | S | . | . | trans | -77.2 | 75.3 | 179.6 | -62.5 | 178.8 | 0 | 0 | 0 | 110.4 | K137 L145 L157 V179 P180 K181 Y187 F188 D220 V224 | K137-L183 WeakPolarHBondContact CE-O 3.4Å; K137-L183 PolarHBondContact NZ-O 3.3Å; L145-L183 HydrophobicContact CD2-CB 4.19Å; L145-L183 HydrophobicContact CD2-CD1 4.33Å; L157-L183 HydrophobicContact CD1-CD1 4.21Å; V179-L183 HydrophobicContact CG1-CB 4.29Å; V179-L183 HydrophobicContact CG1-CD1 3.84Å; P180-L183 HydrophobicContact CB-CD1 4.41Å; P180-L183 HydrophobicContact CB-CG 4.33Å; P180-L183 HydrophobicContact CG-CD1 4.33Å; P180-L183 WeakPolarHBondContact O-CB 3.21Å; P180-L183 PolarHBondContact O-N 3.09Å; K181-L183 VanDerWaalsContact C-N 3.28Å; K181-L183 PolarHBondContact O-N 3.05Å; L183-Y187 HydrophobicContact CD2-CD1 3.89Å; L183-Y187 HydrophobicContact CD2-CD2 4.44Å; L183-Y187 HydrophobicContact CD2-CE1 3.55Å; L183-Y187 HydrophobicContact CD2-CE2 4.1Å; L183-Y187 HydrophobicContact CD2-CG 4.31Å; L183-F188 HydrophobicContact CB-CE2 4.29Å; L183-F188 HydrophobicContact CD2-CE2 4.39Å; L183-F188 HydrophobicContact CD2-CZ 4.08Å; L183-D220 HydrophobicContact CD2-CB 4.36Å; L183-V224 HydrophobicContact CD1-CG2 4.2Å | ||
| 184 | N | 93.5 | Very high | 88 | Confident | 80 Ų | 80 | 96.4 Ų | 96.4 | 43% | 0.428 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -116.2 | 177.2 | 180 | -66.9 | -27.4 | 0 | 0 | 0 | 111.4 | K181 R182 D186 Y187 F188 | K181-N184 PolarHBondContact O-ND2 2.78Å; K181-N184 PolarHBondContact O-OD1 2.88Å; K181-N184 VanDerWaalsContact O-OD1 3.13Å; R182-N184 PolarHBondContact O-N 3.15Å; N184-D186 PolarHBondContact O-N 3.31Å; N184-Y187 VanDerWaalsContact O-CB 3.32Å; N184-Y187 WeakPolarHBondContact O-CB 3.5Å; N184-Y187 PolarHBondContact O-N 2.89Å; N184-Y187 VanDerWaalsContact O-N 3.12Å; N184-F188 WeakPolarHBondContact O-CD2 3.48Å |
| 185 | D | 93 | Very high | 87.4 | Confident | 25 Ų | 25 | 105 Ų | 105 | 13% | 0.134 | 51% | 0.514 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -34 | -180 | -76.6 | -64.1 | 0 | 0 | 0 | 114.1 | L139 K140 S141 R159 F188 R189 | L139-D185 WeakPolarHBondContact CB-OD2 3.35Å; K140-D185 PolarHBondContact N-OD2 3.19Å; S141-D185 VanDerWaalsContact CB-OD1 3.26Å; S141-D185 WeakPolarHBondContact CB-OD1 3.46Å; S141-D185 WeakPolarHBondContact CB-OD2 3.27Å; S141-D185 PolarHBondContact N-OD2 2.6Å; S141-D185 PolarHBondContact OG-OD1 3.23Å; S141-D185 PolarHBondContact OG-OD2 2.95Å; R159-D185 PolarHBondContact NH1-O 3.41Å; R159-D185 VanDerWaalsContact NH1-O 3.1Å; R159-D185 IonicContact NH1-OD1 2.84Å; R159-D185 PolarHBondContact NH1-OD1 2.86Å; D185-F188 PolarHBondContact O-N 2.74Å; D185-R189 PolarHBondContact O-N 3.2Å |
| 186 | D | 93.2 | Very high | 86.8 | Confident | 113 Ų | 113 | 110.3 Ų | 110.3 | 60% | 0.604 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -36.3 | 178.3 | -65.3 | -49.2 | 0 | 0 | 0 | 112.2 | N184 F188 R189 | N184-D186 PolarHBondContact O-N 3.31Å; D186-F188 VanDerWaalsContact C-N 3.25Å; D186-F188 PolarHBondContact O-N 2.96Å; D186-R189 VanDerWaalsContact O-CB 3.24Å; D186-R189 WeakPolarHBondContact O-CB 3.49Å; D186-R189 PolarHBondContact O-N 2.81Å; D186-R189 VanDerWaalsContact O-N 3.13Å; D186-R189 IonicContact OD1-NH1 3.46Å; D186-R189 PolarHBondContact OD1-NH1 3.27Å |
| 187 | Y | 93.8 | Very high | 86.3 | Confident | 48 Ų | 48 | 116.5 Ų | 116.5 | 19% | 0.188 | 53% | 0.531 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -36.4 | 177.1 | 178.2 | -87.3 | 0 | 0 | 0 | 112.5 | R182 L183 N184 I216 R217 D220 | R182-Y187 WeakPolarHBondContact O-CB 3.4Å; L183-Y187 HydrophobicContact CD2-CD1 3.89Å; L183-Y187 HydrophobicContact CD2-CD2 4.44Å; L183-Y187 HydrophobicContact CD2-CE1 3.55Å; L183-Y187 HydrophobicContact CD2-CE2 4.1Å; L183-Y187 HydrophobicContact CD2-CG 4.31Å; N184-Y187 VanDerWaalsContact O-CB 3.32Å; N184-Y187 WeakPolarHBondContact O-CB 3.5Å; N184-Y187 PolarHBondContact O-N 2.89Å; N184-Y187 VanDerWaalsContact O-N 3.12Å; Y187-I216 HydrophobicContact CE2-CG2 4.28Å; Y187-R217 HydrophobicContact CE1-CG 4.13Å; Y187-R217 PolarHBondContact O-NH2 3.01Å; Y187-R217 WeakPolarHBondContact OH-CA 3.33Å; Y187-R217 WeakPolarHBondContact OH-CG 3.45Å; Y187-D220 WeakPolarHBondContact CE2-OD2 3.38Å; Y187-D220 WeakPolarHBondContact OH-CB 3.46Å; Y187-D220 PolarHBondContact OH-OD2 3.1Å |
| 188 | F | 93.9 | Very high | 85.3 | Confident | 21 Ų | 21 | 120.1 Ų | 120.1 | 9% | 0.092 | 55% | 0.547 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 6.7 | -179.6 | -65.1 | -72.8 | 0 | 0 | 0 | 113.1 | L139 L145 L157 R159 L183 N184 D185 D186 R190 | L139-F188 HydrophobicContact CD1-CD2 4.47Å; L145-F188 HydrophobicContact CD1-CE1 4.42Å; L145-F188 HydrophobicContact CD1-CE2 3.55Å; L145-F188 HydrophobicContact CD1-CZ 3.49Å; L145-F188 VanDerWaalsContact CD1-CZ 3.49Å; L157-F188 HydrophobicContact CB-CE1 4.19Å; L157-F188 HydrophobicContact CB-CZ 4.21Å; L157-F188 WeakPolarHBondContact O-CE1 3.43Å; R159-F188 HydrophobicContact CG-CB 3.79Å; R159-F188 HydrophobicContact CG-CD1 4.48Å; R159-F188 HydrophobicContact CG-CD2 3.82Å; R159-F188 HydrophobicContact CG-CG 3.78Å; R159-F188 VanDerWaalsContact NH2-C 3.31Å; R159-F188 PolarHBondContact NH2-O 3.11Å; L183-F188 HydrophobicContact CB-CE2 4.29Å; L183-F188 HydrophobicContact CD2-CE2 4.39Å; L183-F188 HydrophobicContact CD2-CZ 4.08Å; N184-F188 WeakPolarHBondContact O-CD2 3.48Å; D185-F188 PolarHBondContact O-N 2.74Å; D186-F188 VanDerWaalsContact C-N 3.25Å; D186-F188 PolarHBondContact O-N 2.96Å; F188-R190 PolarHBondContact O-N 3.18Å |
| 189 | R | 92 | Very high | 84.5 | Confident | 166 Ų | 166 | 116.8 Ų | 116.8 | 63% | 0.626 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -65.5 | 134.8 | 176.9 | -170 | 169.1 | 68.4 | -165.4 | 7.4 | 109.3 | D185 D186 V191 | D185-R189 PolarHBondContact O-N 3.2Å; D186-R189 VanDerWaalsContact O-CB 3.24Å; D186-R189 WeakPolarHBondContact O-CB 3.49Å; D186-R189 PolarHBondContact O-N 2.81Å; D186-R189 VanDerWaalsContact O-N 3.13Å; D186-R189 IonicContact OD1-NH1 3.46Å; D186-R189 PolarHBondContact OD1-NH1 3.27Å; R189-V191 PolarHBondContact O-N 3.21Å |
| 190 | R | 89.8 | Confident | 83.5 | Confident | 211 Ų | 211 | 124 Ų | 124 | 80% | 0.796 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 131.4 | 175 | -66.3 | -175.7 | -178.3 | -178.3 | 1 | 108.8 | F188 | F188-R190 PolarHBondContact O-N 3.18Š|
| 191 | V | 87.3 | Confident | 82.4 | Confident | 140 Ų | 140 | 128 Ų | 128 | 85% | 0.848 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 123.5 | 169.8 | -177.1 | 0 | 0 | 0 | 0 | 107 | R189 | R189-V191 PolarHBondContact O-N 3.21Š|
| 192 | K | 82.2 | Confident | 81.4 | Confident | 192 Ų | 192 | 125.2 Ų | 125.2 | 84% | 0.835 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 122.7 | 172.3 | -65.8 | -175.7 | 179.1 | -175.6 | 0 | 107.1 | ||
| 193 | A | 77.8 | Confident | 80.4 | Confident | 87 Ų | 87 | 123.4 Ų | 123.4 | 72% | 0.719 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 138.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | K195 | A193-K195 PolarHBondContact O-N 3.12Š|
| 194 | K | 75.5 | Confident | 79.4 | Confident | 200 Ų | 200 | 133 Ų | 133 | 87% | 0.87 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 130.2 | 170 | -71.7 | -177.9 | 179.9 | 177 | 0 | 106.9 | Q196 | K194-Q196 PolarHBondContact O-N 2.87Å; K194-Q196 VanDerWaalsContact O-N 3.12Å |
| 195 | K | 73.3 | Confident | 78.1 | Confident | 210 Ų | 210 | 132.4 Ų | 132.4 | 91% | 0.913 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -63 | 116.6 | 171.1 | -66.5 | -175.5 | 177.2 | -173.7 | 0 | 107 | A193 | A193-K195 PolarHBondContact O-N 3.12Š|
| 196 | Q | 71.1 | Confident | 76.9 | Confident | 157 Ų | 157 | 134.5 Ų | 134.5 | 73% | 0.734 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 142.5 | 164.6 | -72.9 | 172.8 | -34.6 | 0 | 0 | 107.7 | K194 K198 | K194-Q196 PolarHBondContact O-N 2.87Å; K194-Q196 VanDerWaalsContact O-N 3.12Å; Q196-K198 PolarHBondContact O-N 3Å |
| 197 | K | 70.6 | Confident | 75.8 | Confident | 207 Ų | 207 | 138.2 Ų | 138.2 | 90% | 0.9 | 67% | 0.674 | S | S | * | * | trans | -64.7 | 108.4 | 171.4 | -74.5 | -177 | 177.5 | -177.8 | 0 | 106.1 | ||||
| 198 | K | 64.6 | Low | 74.8 | Confident | 128 Ų | 128 | 145.4 Ų | 145.4 | 56% | 0.557 | 71% | 0.706 | S | S | * | * | trans | -79.7 | 124.2 | 176.6 | -68.8 | -169.5 | 171.8 | -159.4 | 0 | 108.2 | Q196 | Q196-K198 PolarHBondContact O-N 3Š| ||
| 199 | N | 69.9 | Low | 73.9 | Confident | 132 Ų | 132 | 153.3 Ų | 153.3 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | trans | -84.2 | 147.6 | 152.3 | -69.1 | -7.8 | 0 | 0 | 0 | 107 | A201 D202 | N199-A201 PolarHBondContact O-N 3.21Å; N199-D202 PolarHBondContact O-N 3.38Å | ||
| 200 | E | 67.9 | Low | 73.5 | Confident | 182 Ų | 182 | 156.3 Ų | 156.3 | 85% | 0.85 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -56 | -22.5 | -169.6 | -75.3 | 177.9 | 150.1 | 0 | 0 | 114.7 | D202 I203 | E200-D202 PolarHBondContact O-N 2.69Å; E200-I203 VanDerWaalsContact O-CD1 3.27Å; E200-I203 WeakPolarHBondContact O-CD1 3.37Å; E200-I203 WeakPolarHBondContact O-CG1 3.43Å |
| 201 | A | 67.3 | Low | 73.3 | Confident | 102 Ų | 102 | 153 Ų | 153 | 84% | 0.843 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -73.2 | -18.4 | -177 | 0 | 0 | 0 | 0 | 0 | 115.3 | N199 | N199-A201 PolarHBondContact O-N 3.21Š|
| 202 | D | 68.8 | Low | 73.4 | Confident | 102 Ų | 102 | 155.1 Ų | 155.1 | 55% | 0.545 | 74% | 0.742 | S | S | . | * | G | 310 helix | trans | -112.3 | 26.5 | -163.1 | -140.1 | 8.9 | 0 | 0 | 0 | 114.2 | N199 E200 F204 A205 | N199-D202 PolarHBondContact O-N 3.38Å; E200-D202 PolarHBondContact O-N 2.69Å; D202-F204 VanDerWaalsContact C-N 3.32Å; D202-F204 PolarHBondContact O-N 2.68Å; D202-A205 WeakPolarHBondContact OD1-CB 3.41Å |
| 203 | I | 69.9 | Low | 73.8 | Confident | 89 Ų | 89 | 149.8 Ų | 149.8 | 46% | 0.456 | 73% | 0.725 | S | S | . | * | S | Bend | trans | -67.6 | -31.1 | -170.6 | -63.7 | 169 | 0 | 0 | 0 | 112.4 | E200 | E200-I203 VanDerWaalsContact O-CD1 3.27Å; E200-I203 WeakPolarHBondContact O-CD1 3.37Å; E200-I203 WeakPolarHBondContact O-CG1 3.43Å |
| 204 | F | 72.5 | Confident | 74.6 | Confident | 202 Ų | 202 | 148.1 Ų | 148.1 | 89% | 0.886 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -96.3 | -16.5 | -174.6 | -62 | -77 | 0 | 0 | 0 | 114.4 | D202 V206 | D202-F204 VanDerWaalsContact C-N 3.32Å; D202-F204 PolarHBondContact O-N 2.68Å; F204-V206 VanDerWaalsContact C-N 3.28Å; F204-V206 PolarHBondContact O-N 3Å |
| 205 | A | 66.2 | Low | 75.4 | Confident | 66 Ų | 66 | 144.5 Ų | 144.5 | 55% | 0.545 | 69% | 0.694 | S | S | . | * | trans | -77.3 | -9.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | D202 K207 | D202-A205 WeakPolarHBondContact OD1-CB 3.41Å; A205-K207 PolarHBondContact O-N 3.43Å | ||
| 206 | V | 68.3 | Low | 76.4 | Confident | 69 Ų | 69 | 139 Ų | 139 | 42% | 0.418 | 67% | 0.674 | S | S | . | * | trans | -72.6 | 90.7 | -177.3 | -171.9 | 0 | 0 | 0 | 0 | 110.6 | F204 K208 | F204-V206 VanDerWaalsContact C-N 3.28Å; F204-V206 PolarHBondContact O-N 3Å; V206-K208 PolarHBondContact O-N 3.25Å | ||
| 207 | K | 70.2 | Confident | 77.5 | Confident | 192 Ų | 192 | 134.8 Ų | 134.8 | 84% | 0.835 | 65% | 0.651 | S | S | * | * | trans | -55.4 | 111.6 | 167.3 | -76.6 | -179.7 | 179.9 | 173.3 | 0 | 108.8 | A205 E209 | A205-K207 PolarHBondContact O-N 3.43Å; K207-E209 PolarHBondContact O-N 3.41Å | ||
| 208 | K | 72.3 | Confident | 78.6 | Confident | 198 Ų | 198 | 131.3 Ų | 131.3 | 86% | 0.861 | 64% | 0.636 | S | S | * | * | trans | -64.6 | 97.8 | 173.8 | -71.7 | 176.6 | -177.1 | 168 | 0 | 108.7 | V206 R210 | V206-K208 PolarHBondContact O-N 3.25Å; K208-R210 PolarHBondContact O-N 3.03Å | ||
| 209 | E | 74.8 | Confident | 80 | Confident | 187 Ų | 187 | 133 Ų | 133 | 87% | 0.874 | 64% | 0.639 | S | S | * | * | trans | -59 | 110 | 173.3 | -69.6 | -172.5 | 163.2 | 0 | 0 | 110 | K207 | K207-E209 PolarHBondContact O-N 3.41Š| ||
| 210 | R | 83 | Confident | 81.2 | Confident | 229 Ų | 229 | 126.7 Ų | 126.7 | 86% | 0.864 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 145.6 | 174.1 | -64.9 | -174.8 | -178.8 | -170.5 | 1.3 | 109.3 | K208 K212 | K208-R210 PolarHBondContact O-N 3.03Å; R210-K212 PolarHBondContact O-N 2.97Å; R210-K212 VanDerWaalsContact O-N 3.16Å |
| 211 | Y | 86.1 | Confident | 82.5 | Confident | 141 Ų | 141 | 118.7 Ų | 118.7 | 55% | 0.553 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 119.2 | 177.5 | 174.5 | -104.1 | 0 | 0 | 0 | 111 | V213 R217 | Y211-V213 HydrophobicContact CE1-CG2 3.95Å; Y211-R217 VanDerWaalsContact CZ-NH1 3.33Å; Y211-R217 VanDerWaalsContact OH-CD 3.26Å; Y211-R217 WeakPolarHBondContact OH-CD 3.5Å; Y211-R217 PolarHBondContact OH-NH1 2.84Å |
| 212 | K | 89.7 | Confident | 83.8 | Confident | 186 Ų | 186 | 116.8 Ų | 116.8 | 81% | 0.809 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 133.3 | 171.4 | -65.4 | -177.8 | -178.8 | 179.1 | 0 | 110 | R210 S214 | R210-K212 PolarHBondContact O-N 2.97Å; R210-K212 VanDerWaalsContact O-N 3.16Å; K212-S214 PolarHBondContact O-N 2.84Å |
| 213 | V | 91 | Very high | 85 | Confident | 79 Ų | 79 | 117.9 Ų | 117.9 | 48% | 0.479 | 55% | 0.552 | S | S | . | * | trans | -72.9 | 114.8 | 178.5 | -176.8 | 0 | 0 | 0 | 0 | 109.2 | Y211 R217 K218 | Y211-V213 HydrophobicContact CE1-CG2 3.95Å; V213-R217 HydrophobicContact CG1-CB 3.93Å; V213-K218 HydrophobicContact CG1-CG 3.95Å | ||
| 214 | S | 92.8 | Very high | 86.1 | Confident | 53 Ų | 53 | 113.7 Ų | 113.7 | 37% | 0.371 | 53% | 0.53 | S | S | . | . | trans | -61.9 | 146.6 | 173.5 | 59.7 | 0 | 0 | 0 | 0 | 111.7 | K212 I216 R217 K218 | K212-S214 PolarHBondContact O-N 2.84Å; S214-I216 PolarHBondContact O-N 2.9Å; S214-R217 WeakPolarHBondContact O-CB 3.24Å; S214-R217 PolarHBondContact O-N 3.49Å; S214-R217 WeakPolarHBondContact OG-CG 3.31Å; S214-K218 PolarHBondContact O-N 3.27Å | ||
| 215 | E | 94.3 | Very high | 87.2 | Confident | 123 Ų | 123 | 104.6 Ų | 104.6 | 58% | 0.575 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -55.5 | -36.7 | 177 | -66.7 | -177.2 | -160.8 | 0 | 0 | 113.9 | R217 K218 R219 | E215-R217 PolarHBondContact O-N 3.28Å; E215-K218 WeakPolarHBondContact O-CB 3.41Å; E215-K218 PolarHBondContact O-N 2.84Å; E215-R219 WeakPolarHBondContact O-CG 3.26Å; E215-R219 PolarHBondContact O-N 3.1Å; E215-R219 IonicContact OE2-CZ 2.67Å; E215-R219 IonicContact OE2-NH2 2.62Å; E215-R219 PolarHBondContact OE2-NH2 2.89Å |
| 216 | I | 93.5 | Very high | 88.5 | Confident | 96 Ų | 96 | 109.4 Ų | 109.4 | 49% | 0.492 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -55.5 | -41.5 | 177.6 | -60.1 | 172.1 | 0 | 0 | 0 | 110.5 | Y187 S214 R219 D220 | Y187-I216 HydrophobicContact CE2-CG2 4.28Å; S214-I216 PolarHBondContact O-N 2.9Å; I216-R219 PolarHBondContact O-N 2.77Å; I216-D220 WeakPolarHBondContact O-CB 3.39Å; I216-D220 PolarHBondContact O-N 2.86Å |
| 217 | R | 93.3 | Very high | 89.7 | Confident | 67 Ų | 67 | 107.1 Ų | 107.1 | 25% | 0.253 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.6 | -39.6 | 176.9 | -73.7 | -166.7 | 176.6 | -178.8 | -3.3 | 112.5 | Y187 Y211 V213 S214 E215 D220 Q221 | Y187-R217 HydrophobicContact CE1-CG 4.13Å; Y187-R217 PolarHBondContact O-NH2 3.01Å; Y187-R217 WeakPolarHBondContact OH-CA 3.33Å; Y187-R217 WeakPolarHBondContact OH-CG 3.45Å; Y211-R217 VanDerWaalsContact CZ-NH1 3.33Å; Y211-R217 VanDerWaalsContact OH-CD 3.26Å; Y211-R217 WeakPolarHBondContact OH-CD 3.5Å; Y211-R217 PolarHBondContact OH-NH1 2.84Å; V213-R217 HydrophobicContact CG1-CB 3.93Å; S214-R217 WeakPolarHBondContact O-CB 3.24Å; S214-R217 PolarHBondContact O-N 3.49Å; S214-R217 WeakPolarHBondContact OG-CG 3.31Å; E215-R217 PolarHBondContact O-N 3.28Å; R217-D220 PolarHBondContact O-N 3.15Å; R217-Q221 WeakPolarHBondContact O-CB 3.29Å; R217-Q221 PolarHBondContact O-N 3.2Å |
| 218 | K | 94.4 | Very high | 90.8 | Very high | 134 Ų | 134 | 98 Ų | 98 | 58% | 0.583 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -62 | -46.2 | 176.1 | -61.2 | -176.1 | -179.9 | 180 | 0 | 110.9 | V213 S214 E215 Q221 A222 | V213-K218 HydrophobicContact CG1-CG 3.95Å; S214-K218 PolarHBondContact O-N 3.27Å; E215-K218 WeakPolarHBondContact O-CB 3.41Å; E215-K218 PolarHBondContact O-N 2.84Å; K218-Q221 PolarHBondContact O-N 3.46Å; K218-A222 PolarHBondContact O-N 3.22Å |
| 219 | R | 94.7 | Very high | 91.8 | Very high | 163 Ų | 163 | 91 Ų | 91 | 62% | 0.615 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -64 | -42.3 | 178 | -62.7 | 179.9 | -161.6 | -178.5 | 7.5 | 112 | E215 I216 K223 | E215-R219 WeakPolarHBondContact O-CG 3.26Å; E215-R219 PolarHBondContact O-N 3.1Å; E215-R219 IonicContact OE2-CZ 2.67Å; E215-R219 IonicContact OE2-NH2 2.62Å; E215-R219 PolarHBondContact OE2-NH2 2.89Å; I216-R219 PolarHBondContact O-N 2.77Å; R219-K223 PolarHBondContact O-N 3.13Å; R219-K223 VanDerWaalsContact O-N 3.12Å |
| 220 | D | 94.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 84.4 Ų | 84.4 | 0% | 0 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61.3 | -46.9 | 175.6 | -94 | -46.5 | 0 | 0 | 0 | 112.7 | L157 R182 L183 Y187 I216 R217 K223 V224 | L157-D220 HydrophobicContact CD1-CB 4.49Å; R182-D220 VanDerWaalsContact CZ-CG 3.43Å; R182-D220 IonicContact CZ-OD1 3.5Å; R182-D220 IonicContact CZ-OD2 3.36Å; R182-D220 IonicContact NE-OD1 2.99Å; R182-D220 PolarHBondContact NE-OD1 3.01Å; R182-D220 IonicContact NE-OD2 3.34Å; R182-D220 PolarHBondContact NE-OD2 3.1Å; R182-D220 IonicContact NH2-OD1 3.84Å; R182-D220 PolarHBondContact NH2-OD1 2.69Å; R182-D220 IonicContact NH2-OD2 3.06Å; R182-D220 PolarHBondContact NH2-OD2 2.98Å; L183-D220 HydrophobicContact CD2-CB 4.36Å; Y187-D220 WeakPolarHBondContact CE2-OD2 3.38Å; Y187-D220 WeakPolarHBondContact OH-CB 3.46Å; Y187-D220 PolarHBondContact OH-OD2 3.1Å; I216-D220 WeakPolarHBondContact O-CB 3.39Å; I216-D220 PolarHBondContact O-N 2.86Å; R217-D220 PolarHBondContact O-N 3.15Å; D220-K223 PolarHBondContact O-N 3.44Å; D220-V224 WeakPolarHBondContact O-CG2 3.47Å; D220-V224 PolarHBondContact O-N 3.49Å; D220-V224 VanDerWaalsContact O-N 3.11Å |
| 221 | Q | 95.1 | Very high | 93.2 | Very high | 14 Ų | 14 | 73.8 Ų | 73.8 | 7% | 0.065 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -58.8 | -51.2 | 178 | -173.2 | 66.8 | 40.7 | 0 | 0 | 110.8 | T147 L150 L157 R217 K218 K223 V224 D225 | T147-Q221 PolarHBondContact OG1-NE2 2.76Å; L150-Q221 HydrophobicContact CB-CG 4.11Å; L150-Q221 HydrophobicContact CD2-CG 4.08Å; L157-Q221 VanDerWaalsContact CB-OE1 3.3Å; R217-Q221 WeakPolarHBondContact O-CB 3.29Å; R217-Q221 PolarHBondContact O-N 3.2Å; K218-Q221 PolarHBondContact O-N 3.46Å; Q221-K223 VanDerWaalsContact C-N 3.27Å; Q221-K223 PolarHBondContact O-N 2.83Å; Q221-V224 PolarHBondContact O-N 3.31Å; Q221-V224 VanDerWaalsContact O-N 3.16Å; Q221-D225 WeakPolarHBondContact CG-OD2 3.32Å; Q221-D225 PolarHBondContact NE2-OD1 3.19Å; Q221-D225 PolarHBondContact NE2-OD2 3.17Å; Q221-D225 WeakPolarHBondContact O-CB 3.32Å; Q221-D225 PolarHBondContact O-N 2.78Å |
| 222 | A | 94.4 | Very high | 93.5 | Very high | 62 Ų | 62 | 67.2 Ų | 67.2 | 51% | 0.512 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -58.2 | -39.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | K218 K226 | K218-A222 PolarHBondContact O-N 3.22Å; A222-K226 VanDerWaalsContact O-CB 3.32Å; A222-K226 WeakPolarHBondContact O-CB 3.33Å; A222-K226 PolarHBondContact O-N 3.01Å |
| 223 | K | 93.5 | Very high | 93.7 | Very high | 126 Ų | 126 | 66 Ų | 66 | 55% | 0.548 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.9 | -43 | 177.7 | -176.1 | 170.9 | -177.2 | 166.4 | 0 | 112.4 | P180 R219 D220 Q221 | P180-K223 HydrophobicContact CG-CD 4.49Å; R219-K223 PolarHBondContact O-N 3.13Å; R219-K223 VanDerWaalsContact O-N 3.12Å; D220-K223 PolarHBondContact O-N 3.44Å; Q221-K223 VanDerWaalsContact C-N 3.27Å; Q221-K223 PolarHBondContact O-N 2.83Å |
| 224 | V | 94.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -71.1 | -44.6 | 178.7 | 176 | 0 | 0 | 0 | 0 | 110.8 | L136 T147 L157 F177 L183 D220 Q221 K226 A227 I228 | L136-V224 HydrophobicContact CD1-CG1 3.74Å; T147-V224 HydrophobicContact CG2-CG1 4.01Å; L157-V224 HydrophobicContact CD1-CB 4.26Å; L157-V224 HydrophobicContact CD1-CG2 3.94Å; L157-V224 HydrophobicContact CD2-CG1 4.22Å; L157-V224 HydrophobicContact CD2-CG2 4.37Å; F177-V224 HydrophobicContact CE1-CG1 4.4Å; F177-V224 HydrophobicContact CE1-CG2 4.47Å; F177-V224 HydrophobicContact CZ-CB 4.45Å; F177-V224 HydrophobicContact CZ-CG2 4.08Å; L183-V224 HydrophobicContact CD1-CG2 4.2Å; D220-V224 WeakPolarHBondContact O-CG2 3.47Å; D220-V224 PolarHBondContact O-N 3.49Å; D220-V224 VanDerWaalsContact O-N 3.11Å; Q221-V224 PolarHBondContact O-N 3.31Å; Q221-V224 VanDerWaalsContact O-N 3.16Å; V224-K226 VanDerWaalsContact C-N 3.32Å; V224-K226 PolarHBondContact O-N 2.9Å; V224-A227 WeakPolarHBondContact O-CB 3.36Å; V224-A227 PolarHBondContact O-N 3.46Å; V224-A227 VanDerWaalsContact O-N 3.11Å; V224-I228 HydrophobicContact CG1-CD1 3.91Å; V224-I228 PolarHBondContact O-N 2.99Å; V224-I228 VanDerWaalsContact O-N 3.09Å |
| 225 | D | 94.5 | Very high | 93.6 | Very high | 11 Ų | 11 | 71 Ų | 71 | 6% | 0.059 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.7 | -38.1 | -179.7 | -73 | -10.7 | 0 | 0 | 0 | 111.5 | T147 L150 Q221 A227 I228 F229 | T147-D225 PolarHBondContact OG1-OD1 3.49Å; L150-D225 WeakPolarHBondContact CB-OD2 3.36Å; L150-D225 PolarHBondContact N-OD2 3.27Å; Q221-D225 WeakPolarHBondContact CG-OD2 3.32Å; Q221-D225 PolarHBondContact NE2-OD1 3.19Å; Q221-D225 PolarHBondContact NE2-OD2 3.17Å; Q221-D225 WeakPolarHBondContact O-CB 3.32Å; Q221-D225 PolarHBondContact O-N 2.78Å; D225-A227 VanDerWaalsContact C-N 3.26Å; D225-A227 PolarHBondContact O-N 3.16Å; D225-I228 PolarHBondContact O-N 3.17Å; D225-I228 VanDerWaalsContact O-N 3.13Å; D225-F229 HydrophobicContact CB-CD2 4.33Å; D225-F229 HydrophobicContact CB-CE2 4.32Å; D225-F229 WeakPolarHBondContact O-CD2 3.34Å; D225-F229 PolarHBondContact O-N 3.11Å |
| 226 | K | 93.6 | Very high | 93.5 | Very high | 167 Ų | 167 | 73 Ų | 73 | 73% | 0.726 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -56.4 | -40.8 | 173.8 | -174.7 | 174.3 | -178.8 | 175.5 | 0 | 112 | A222 V224 A230 | A222-K226 VanDerWaalsContact O-CB 3.32Å; A222-K226 WeakPolarHBondContact O-CB 3.33Å; A222-K226 PolarHBondContact O-N 3.01Å; V224-K226 VanDerWaalsContact C-N 3.32Å; V224-K226 PolarHBondContact O-N 2.9Å; K226-A230 WeakPolarHBondContact O-CB 3.29Å; K226-A230 PolarHBondContact O-N 2.99Å |
| 227 | A | 93.1 | Very high | 93.5 | Very high | 22 Ų | 22 | 70.6 Ų | 70.6 | 18% | 0.182 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -69.4 | -38.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | F177 V224 D225 A230 A231 | F177-A227 HydrophobicContact CB-CB 4.31Å; F177-A227 HydrophobicContact CD1-CB 4.08Å; F177-A227 HydrophobicContact CD2-CB 3.32Å; F177-A227 HydrophobicContact CE1-CB 4.23Å; F177-A227 HydrophobicContact CE2-CB 3.5Å; F177-A227 VanDerWaalsContact CE2-CB 3.5Å; F177-A227 HydrophobicContact CG-CB 3.63Å; F177-A227 HydrophobicContact CZ-CB 3.96Å; V224-A227 WeakPolarHBondContact O-CB 3.36Å; V224-A227 PolarHBondContact O-N 3.46Å; V224-A227 VanDerWaalsContact O-N 3.11Å; D225-A227 VanDerWaalsContact C-N 3.26Å; D225-A227 PolarHBondContact O-N 3.16Å; A227-A230 WeakPolarHBondContact O-CB 3.46Å; A227-A230 PolarHBondContact O-N 2.99Å; A227-A231 PolarHBondContact O-N 3.19Å |
| 228 | I | 93.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -69.9 | -42.8 | 178.2 | -64.1 | 169.3 | 0 | 0 | 0 | 111 | V134 L136 T147 P149 L172 L174 V224 D225 A230 A231 I232 | V134-I228 HydrophobicContact CB-CD1 4.49Å; V134-I228 HydrophobicContact CG2-CG2 4.29Å; L136-I228 HydrophobicContact CD2-CD1 4.26Å; T147-I228 HydrophobicContact CG2-CD1 3.1Å; P149-I228 HydrophobicContact CG-CG2 3.71Å; L172-I228 HydrophobicContact CD1-CG2 4.29Å; L174-I228 HydrophobicContact CD2-CG1 4.21Å; V224-I228 HydrophobicContact CG1-CD1 3.91Å; V224-I228 PolarHBondContact O-N 2.99Å; V224-I228 VanDerWaalsContact O-N 3.09Å; D225-I228 PolarHBondContact O-N 3.17Å; D225-I228 VanDerWaalsContact O-N 3.13Å; I228-A230 VanDerWaalsContact C-N 3.27Å; I228-A230 PolarHBondContact O-N 3.08Å; I228-A231 WeakPolarHBondContact O-CB 3.47Å; I228-A231 PolarHBondContact O-N 3.02Å; I228-A231 VanDerWaalsContact O-N 3.1Å; I228-I232 HydrophobicContact CG2-CD1 3.82Å; I228-I232 HydrophobicContact CG2-CG1 4.3Å; I228-I232 WeakPolarHBondContact O-CG1 3.4Å; I228-I232 PolarHBondContact O-N 3.36Å |
| 229 | F | 93.8 | Very high | 93.4 | Very high | 50 Ų | 50 | 76.5 Ų | 76.5 | 22% | 0.219 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.3 | -36.3 | 173.6 | -79.4 | -64.9 | 0 | 0 | 0 | 111.9 | P149 K151 L152 D225 A231 I232 K233 | P149-F229 HydrophobicContact CB-CE1 4.45Å; P149-F229 HydrophobicContact CB-CE2 3.96Å; P149-F229 HydrophobicContact CB-CZ 3.79Å; K151-F229 HydrophobicContact CB-CE2 4.48Å; K151-F229 HydrophobicContact CB-CZ 4.16Å; K151-F229 HydrophobicContact CD-CE2 4.49Å; L152-F229 HydrophobicContact CD1-CE1 4.02Å; L152-F229 HydrophobicContact CD1-CZ 4.33Å; L152-F229 HydrophobicContact CD2-CE1 4.32Å; L152-F229 HydrophobicContact CG-CE1 4.02Å; L152-F229 HydrophobicContact CG-CZ 3.99Å; D225-F229 HydrophobicContact CB-CD2 4.33Å; D225-F229 HydrophobicContact CB-CE2 4.32Å; D225-F229 WeakPolarHBondContact O-CD2 3.34Å; D225-F229 PolarHBondContact O-N 3.11Å; F229-A231 VanDerWaalsContact C-N 3.33Å; F229-I232 PolarHBondContact O-N 2.9Å; F229-K233 WeakPolarHBondContact O-CB 3.37Å; F229-K233 WeakPolarHBondContact O-CG 3.42Å; F229-K233 PolarHBondContact O-N 3.24Å |
| 230 | A | 93.4 | Very high | 93.4 | Very high | 49 Ų | 49 | 75.7 Ų | 75.7 | 41% | 0.405 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63 | -40.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | K226 A227 I228 K234 | K226-A230 WeakPolarHBondContact O-CB 3.29Å; K226-A230 PolarHBondContact O-N 2.99Å; A227-A230 WeakPolarHBondContact O-CB 3.46Å; A227-A230 PolarHBondContact O-N 2.99Å; I228-A230 VanDerWaalsContact C-N 3.27Å; I228-A230 PolarHBondContact O-N 3.08Å; A230-K234 WeakPolarHBondContact O-CG 3.43Å; A230-K234 PolarHBondContact O-N 3.48Å |
| 231 | A | 93.4 | Very high | 93.4 | Very high | 7 Ų | 7 | 76 Ų | 76 | 6% | 0.058 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.9 | -42.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | D173 L174 A227 I228 F229 K234 | D173-A231 VanDerWaalsContact O-CB 3.23Å; D173-A231 WeakPolarHBondContact O-CB 3.19Å; L174-A231 HydrophobicContact CD2-CB 4.19Å; A227-A231 PolarHBondContact O-N 3.19Å; I228-A231 WeakPolarHBondContact O-CB 3.47Å; I228-A231 PolarHBondContact O-N 3.02Å; I228-A231 VanDerWaalsContact O-N 3.1Å; F229-A231 VanDerWaalsContact C-N 3.33Å; A231-K234 PolarHBondContact O-N 3.04Å |
| 232 | I | 93.5 | Very high | 93.4 | Very high | 3 Ų | 3 | 77.1 Ų | 77.1 | 2% | 0.015 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -65 | -41.9 | 177.4 | -65.9 | 166.9 | 0 | 0 | 0 | 110.7 | P149 L172 I228 F229 K234 R235 K238 I241 L245 | P149-I232 HydrophobicContact CG-CD1 4.47Å; L172-I232 HydrophobicContact CD1-CD1 4.45Å; L172-I232 HydrophobicContact CD1-CG1 3.99Å; L172-I232 HydrophobicContact CD2-CG1 4.3Å; I228-I232 HydrophobicContact CG2-CD1 3.82Å; I228-I232 HydrophobicContact CG2-CG1 4.3Å; I228-I232 WeakPolarHBondContact O-CG1 3.4Å; I228-I232 PolarHBondContact O-N 3.36Å; F229-I232 PolarHBondContact O-N 2.9Å; I232-K234 PolarHBondContact O-N 2.91Å; I232-R235 PolarHBondContact O-N 2.78Å; I232-K238 HydrophobicContact CG2-CB 4.33Å; I232-K238 WeakPolarHBondContact O-CB 3.26Å; I232-I241 HydrophobicContact CG1-CG2 4.18Å; I232-I241 HydrophobicContact CG2-CG2 4.15Å; I232-L245 HydrophobicContact CD1-CD1 3.77Å |
| 233 | K | 92.1 | Very high | 93.4 | Very high | 161 Ų | 161 | 75.9 Ų | 75.9 | 70% | 0.7 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -63.7 | -24.7 | -179.9 | -78.6 | 179.4 | 178.4 | -166.1 | 0 | 114.1 | F229 R235 | F229-K233 WeakPolarHBondContact O-CB 3.37Å; F229-K233 WeakPolarHBondContact O-CG 3.42Å; F229-K233 PolarHBondContact O-N 3.24Å; K233-R235 VanDerWaalsContact C-N 3.3Å |
| 234 | K | 91.5 | Very high | 93.5 | Very high | 160 Ų | 160 | 73.1 Ų | 73.1 | 70% | 0.696 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -17 | 178.4 | -75.5 | 177.6 | 177.5 | -166.6 | 0 | 113.7 | A230 A231 I232 | A230-K234 WeakPolarHBondContact O-CG 3.43Å; A230-K234 PolarHBondContact O-N 3.48Å; A231-K234 PolarHBondContact O-N 3.04Å; I232-K234 PolarHBondContact O-N 2.91Å |
| 235 | R | 91.1 | Very high | 93.6 | Very high | 75 Ų | 75 | 73.1 Ų | 73.1 | 28% | 0.283 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -88.4 | 148.8 | -179.4 | -57.8 | 173.4 | 58.6 | 96.4 | -0.1 | 110.3 | K171 I232 K233 D237 K238 | K171-R235 PolarHBondContact O-NH1 3.48Å; I232-R235 PolarHBondContact O-N 2.78Å; K233-R235 VanDerWaalsContact C-N 3.3Å; R235-D237 WeakPolarHBondContact CB-OD1 3.4Å; R235-D237 IonicContact CZ-OD1 3.45Å; R235-D237 IonicContact CZ-OD2 3.55Å; R235-D237 IonicContact NE-OD1 2.75Å; R235-D237 PolarHBondContact NE-OD1 3.48Å; R235-D237 IonicContact NE-OD2 3.54Å; R235-D237 IonicContact NH2-OD1 2.95Å; R235-D237 PolarHBondContact NH2-OD1 3.02Å; R235-D237 IonicContact NH2-OD2 3.42Å; R235-D237 PolarHBondContact NH2-OD2 2.92Å; R235-K238 WeakPolarHBondContact O-CB 3.45Å; R235-K238 PolarHBondContact O-N 2.84Å |
| 236 | D | 92.1 | Very high | 93.6 | Very high | 167 Ų | 167 | 74.9 Ų | 74.9 | 89% | 0.893 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -38.8 | 177 | -54.2 | -42.1 | 0 | 0 | 0 | 110.8 | K238 | D236-K238 PolarHBondContact O-N 3.12Š|
| 237 | D | 93 | Very high | 93.7 | Very high | 44 Ų | 44 | 70.5 Ų | 70.5 | 24% | 0.235 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | 25.4 | 177.6 | 68.9 | -13.7 | 0 | 0 | 0 | 114.1 | R235 R239 E240 I241 | R235-D237 WeakPolarHBondContact CB-OD1 3.4Å; R235-D237 IonicContact CZ-OD1 3.45Å; R235-D237 IonicContact CZ-OD2 3.55Å; R235-D237 IonicContact NE-OD1 2.75Å; R235-D237 PolarHBondContact NE-OD1 3.48Å; R235-D237 IonicContact NE-OD2 3.54Å; R235-D237 IonicContact NH2-OD1 2.95Å; R235-D237 PolarHBondContact NH2-OD1 3.02Å; R235-D237 IonicContact NH2-OD2 3.42Å; R235-D237 PolarHBondContact NH2-OD2 2.92Å; D237-R239 PolarHBondContact O-N 2.89Å; D237-R239 VanDerWaalsContact O-N 3.07Å; D237-E240 HydrophobicContact CB-CB 4.44Å; D237-E240 PolarHBondContact O-N 2.85Å; D237-E240 VanDerWaalsContact O-N 3.1Å; D237-I241 PolarHBondContact O-N 3.04Å; D237-I241 WeakPolarHBondContact OD2-CG1 3.43Å |
| 238 | K | 92.3 | Very high | 93.8 | Very high | 108 Ų | 108 | 73.6 Ų | 73.6 | 47% | 0.47 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -53.2 | -36 | -174.5 | 66.9 | -168.6 | 175.5 | -163 | 0 | 114 | I232 R235 D236 C242 | I232-K238 HydrophobicContact CG2-CB 4.33Å; I232-K238 WeakPolarHBondContact O-CB 3.26Å; R235-K238 WeakPolarHBondContact O-CB 3.45Å; R235-K238 PolarHBondContact O-N 2.84Å; D236-K238 PolarHBondContact O-N 3.12Å; K238-C242 WeakPolarHBondContact O-CB 3.42Å; K238-C242 PolarHBondContact O-N 3.05Å; K238-C242 VanDerWaalsContact O-N 3.09Å; K238-C242 PolarHBondContact O-SG 3.37Å |
| 239 | R | 93.2 | Very high | 93.9 | Very high | 218 Ų | 218 | 76.2 Ų | 76.2 | 82% | 0.823 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -70.2 | -46.1 | -179.6 | -72 | -175.7 | 175.7 | 178.2 | 0.3 | 110.9 | D237 C242 G243 | D237-R239 PolarHBondContact O-N 2.89Å; D237-R239 VanDerWaalsContact O-N 3.07Å; R239-C242 PolarHBondContact O-N 3.36Å; R239-G243 PolarHBondContact O-N 2.7Å |
| 240 | E | 94.4 | Very high | 93.9 | Very high | 146 Ų | 146 | 75.9 Ų | 75.9 | 68% | 0.682 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -64 | -43.2 | 178.5 | -61.3 | 177.6 | -179.1 | 0 | 0 | 111.2 | D237 C242 G243 Y244 | D237-E240 HydrophobicContact CB-CB 4.44Å; D237-E240 PolarHBondContact O-N 2.85Å; D237-E240 VanDerWaalsContact O-N 3.1Å; E240-C242 PolarHBondContact O-N 2.99Å; E240-G243 PolarHBondContact O-N 3.07Å; E240-Y244 VanDerWaalsContact O-CB 3.26Å; E240-Y244 WeakPolarHBondContact O-CB 3.24Å; E240-Y244 PolarHBondContact O-N 2.94Å |
| 241 | I | 94.9 | Very high | 94 | Very high | 7 Ų | 7 | 77.7 Ų | 77.7 | 4% | 0.036 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -65.6 | -38.4 | 177.6 | -67.9 | -72 | 0 | 0 | 0 | 111.6 | I120 T170 L172 I232 D237 Y244 L245 | I120-I241 HydrophobicContact CD1-CD1 4.49Å; T170-I241 HydrophobicContact CG2-CD1 3.8Å; L172-I241 HydrophobicContact CD2-CG2 3.96Å; I232-I241 HydrophobicContact CG1-CG2 4.18Å; I232-I241 HydrophobicContact CG2-CG2 4.15Å; D237-I241 PolarHBondContact O-N 3.04Å; D237-I241 WeakPolarHBondContact OD2-CG1 3.43Å; I241-Y244 PolarHBondContact O-N 3.48Å; I241-L245 HydrophobicContact CG2-CD1 4.13Å; I241-L245 WeakPolarHBondContact O-CB 3.43Å; I241-L245 WeakPolarHBondContact O-CG 3.32Å; I241-L245 PolarHBondContact O-N 3.1Å |
| 242 | C | 94.6 | Very high | 94 | Very high | 37 Ų | 37 | 84.2 Ų | 84.2 | 25% | 0.25 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -62.5 | -46.3 | 173.4 | -72.2 | 0 | 0 | 0 | 0 | 111.4 | K238 R239 E240 L245 A246 | K238-C242 WeakPolarHBondContact O-CB 3.42Å; K238-C242 PolarHBondContact O-N 3.05Å; K238-C242 VanDerWaalsContact O-N 3.09Å; K238-C242 PolarHBondContact O-SG 3.37Å; R239-C242 PolarHBondContact O-N 3.36Å; E240-C242 PolarHBondContact O-N 2.99Å; C242-L245 PolarHBondContact O-N 3Å; C242-A246 WeakPolarHBondContact O-CB 3.33Å; C242-A246 PolarHBondContact O-N 2.92Å |
| 243 | G | 95.6 | Very high | 94.1 | Very high | 35 Ų | 35 | 94.6 Ų | 94.6 | 36% | 0.361 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.4 | -45.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | R239 E240 L245 A246 T247 | R239-G243 PolarHBondContact O-N 2.7Å; E240-G243 PolarHBondContact O-N 3.07Å; G243-L245 PolarHBondContact O-N 3.07Å; G243-A246 PolarHBondContact O-N 3.42Å; G243-T247 WeakPolarHBondContact O-CB 3.37Å; G243-T247 PolarHBondContact O-N 2.96Å; G243-T247 PolarHBondContact O-OG1 3Å; G243-T247 VanDerWaalsContact O-OG1 3.04Å |
| 244 | Y | 95.7 | Very high | 94.3 | Very high | 68 Ų | 68 | 89.6 Ų | 89.6 | 27% | 0.267 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -59 | -44.9 | 177.4 | -175.2 | -112.1 | 0 | 0 | 0 | 112 | I120 R132 E240 I241 | I120-Y244 HydrophobicContact CB-CE1 4.5Å; I120-Y244 HydrophobicContact CD1-CD1 4Å; I120-Y244 HydrophobicContact CD1-CE1 4.06Å; I120-Y244 HydrophobicContact CG2-CD1 4.46Å; I120-Y244 HydrophobicContact CG2-CE1 3.87Å; R132-Y244 VanDerWaalsContact CD-CE1 3.4Å; R132-Y244 VanDerWaalsContact CD-O 3.28Å; R132-Y244 WeakPolarHBondContact CD-O 3.47Å; R132-Y244 PolarHBondContact NH1-O 3.4Å; E240-Y244 VanDerWaalsContact O-CB 3.26Å; E240-Y244 WeakPolarHBondContact O-CB 3.24Å; E240-Y244 PolarHBondContact O-N 2.94Å; I241-Y244 PolarHBondContact O-N 3.48Å |
| 245 | L | 95.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 85.1 Ų | 85.1 | 0% | 0 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -70.2 | -30.3 | 178.2 | -74.1 | 174.3 | 0 | 0 | 0 | 113.7 | I120 R132 V134 P149 L152 N153 I232 I241 C242 G243 | I120-L245 HydrophobicContact CD1-CD2 4.11Å; I120-L245 HydrophobicContact CG1-CD2 4.38Å; I120-L245 HydrophobicContact CG2-CD2 3.98Å; R132-L245 HydrophobicContact CB-CD2 4.23Å; V134-L245 HydrophobicContact CG2-CD2 4.39Å; P149-L245 HydrophobicContact CG-CD1 4.37Å; L152-L245 HydrophobicContact CD1-CB 4.12Å; L152-L245 HydrophobicContact CD1-CD1 4.18Å; N153-L245 WeakPolarHBondContact CB-O 3.32Å; N153-L245 PolarHBondContact ND2-O 2.88Å; I232-L245 HydrophobicContact CD1-CD1 3.77Å; I241-L245 HydrophobicContact CG2-CD1 4.13Å; I241-L245 WeakPolarHBondContact O-CB 3.43Å; I241-L245 WeakPolarHBondContact O-CG 3.32Å; I241-L245 PolarHBondContact O-N 3.1Å; C242-L245 PolarHBondContact O-N 3Å; G243-L245 PolarHBondContact O-N 3.07Å |
| 246 | A | 95.8 | Very high | 94.7 | Very high | 48 Ų | 48 | 86.4 Ų | 86.4 | 40% | 0.397 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -75.2 | -40.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | C242 G243 | C242-A246 WeakPolarHBondContact O-CB 3.33Å; C242-A246 PolarHBondContact O-N 2.92Å; G243-A246 PolarHBondContact O-N 3.42Å |
| 247 | T | 95.2 | Very high | 94.8 | Very high | 75 Ų | 75 | 81.5 Ų | 81.5 | 46% | 0.46 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -72.5 | 133.2 | -177.3 | -59.1 | 0 | 0 | 0 | 0 | 111.3 | R132 G243 | R132-T247 PolarHBondContact NH1-O 2.96Å; G243-T247 WeakPolarHBondContact O-CB 3.37Å; G243-T247 PolarHBondContact O-N 2.96Å; G243-T247 PolarHBondContact O-OG1 3Å; G243-T247 VanDerWaalsContact O-OG1 3.04Å |
| 248 | P | 94.5 | Very high | 94.9 | Very high | 88 Ų | 88 | 86.8 Ų | 86.8 | 57% | 0.571 | 45% | 0.453 | S | S | * | . | P | Polyproline II helix | trans | -73.2 | 147.6 | 171 | 30.2 | -33.4 | 0 | 0 | 0 | 111 | ||
| 249 | W | 95.7 | Very high | 95.1 | Very high | 54 Ų | 54 | 88 Ų | 88 | 21% | 0.205 | 46% | 0.461 | C | S | . | . | P | Polyproline II helix | trans | -88.2 | 136 | 170.1 | -179.1 | 84.1 | 0 | 0 | 0 | 110.4 | I122 L124 G130 I166 L251 F262 | I122-W249 HydrophobicContact CD1-CB 4.32Å; I122-W249 HydrophobicContact CD1-CD2 4.14Å; I122-W249 HydrophobicContact CD1-CG 3.83Å; I122-W249 HydrophobicContact CG1-CB 4.44Å; I122-W249 HydrophobicContact CG1-CG 4.44Å; I122-W249 HydrophobicContact CG2-CB 3.83Å; I122-W249 HydrophobicContact CG2-CD2 3.92Å; I122-W249 HydrophobicContact CG2-CE3 3.75Å; I122-W249 HydrophobicContact CG2-CG 3.98Å; L124-W249 HydrophobicContact CD2-CE3 4.35Å; L124-W249 HydrophobicContact CD2-CZ3 3.85Å; G130-W249 VanDerWaalsContact CA-O 3.24Å; G130-W249 WeakPolarHBondContact CA-O 3.44Å; G130-W249 WeakPolarHBondContact O-CB 3.45Å; G130-W249 PolarHBondContact O-N 3.03Å; I166-W249 HydrophobicContact CD1-CH2 4.43Å; W249-L251 HydrophobicContact CH2-CD2 4.02Å; W249-L251 HydrophobicContact CH2-CG 4.03Å; W249-L251 HydrophobicContact CZ2-CD2 3.65Å; W249-L251 HydrophobicContact CZ2-CG 4.13Å; W249-F262 AromaticContact CE2-CE1 3.88Å; W249-F262 AromaticContact CZ2-CE1 3.71Å; W249-F262 HydrophobicContact CZ2-CE1 3.71Å; W249-F262 AromaticContact CZ2-CZ 3.86Å; W249-F262 HydrophobicContact CZ2-CZ 3.86Å; W249-F262 AromaticContact NE1-CE1 3.84Å |
| 250 | G | 94.4 | Very high | 95.2 | Very high | 43 Ų | 43 | 80.2 Ų | 80.2 | 44% | 0.443 | 43% | 0.434 | S | S | . | . | trans | -156.2 | 165.1 | 171 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 251 | L | 94.6 | Very high | 95.2 | Very high | 87 Ų | 87 | 78.5 Ų | 78.5 | 46% | 0.455 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -90.6 | 133.2 | 175.2 | -62.9 | 171.1 | 0 | 0 | 0 | 109.2 | W249 Q255 P257 M260 | W249-L251 HydrophobicContact CH2-CD2 4.02Å; W249-L251 HydrophobicContact CH2-CG 4.03Å; W249-L251 HydrophobicContact CZ2-CD2 3.65Å; W249-L251 HydrophobicContact CZ2-CG 4.13Å; L251-Q255 HydrophobicContact CD2-CB 4.38Å; L251-P257 HydrophobicContact CD1-CG 3.55Å; L251-P257 HydrophobicContact CD2-CG 3.91Å; L251-P257 HydrophobicContact CG-CG 4.39Å; L251-M260 HydrophobicContact CD2-CE 4.25Å; L251-M260 HydrophobicContact CD2-SD 3.88Å |
| 252 | Q | 94.6 | Very high | 95.1 | Very high | 145 Ų | 145 | 81.2 Ų | 81.2 | 68% | 0.678 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -100.1 | 172 | 171.5 | -64.7 | -179.3 | -47.4 | 0 | 0 | 110.8 | G254 Q255 | Q252-G254 PolarHBondContact O-N 2.87Å; Q252-Q255 HydrophobicContact CB-CG 4.43Å; Q252-Q255 WeakPolarHBondContact O-CB 3.38Å; Q252-Q255 PolarHBondContact O-N 3.4Å; Q252-Q255 VanDerWaalsContact O-N 3.14Å |
| 253 | K | 96.3 | Very high | 95.1 | Very high | 220 Ų | 220 | 83.4 Ų | 83.4 | 96% | 0.957 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 131.7 | 174.7 | -171.4 | 178.4 | 179.3 | -177 | 0 | 109.5 | Q255 | K253-Q255 VanDerWaalsContact C-N 3.34Š|
| 254 | G | 95.3 | Very high | 95.1 | Very high | 57 Ų | 57 | 85.9 Ų | 85.9 | 59% | 0.588 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.9 | 0.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q252 | Q252-G254 PolarHBondContact O-N 2.87Š|
| 255 | Q | 94.7 | Very high | 95 | Very high | 65 Ų | 65 | 86.9 Ų | 86.9 | 30% | 0.304 | 47% | 0.471 | S | S | . | . | trans | -97 | 113.2 | 176.8 | -76.6 | -179.6 | -4.4 | 0 | 0 | 111.5 | L251 Q252 K253 M260 | L251-Q255 HydrophobicContact CD2-CB 4.38Å; Q252-Q255 HydrophobicContact CB-CG 4.43Å; Q252-Q255 WeakPolarHBondContact O-CB 3.38Å; Q252-Q255 PolarHBondContact O-N 3.4Å; Q252-Q255 VanDerWaalsContact O-N 3.14Å; K253-Q255 VanDerWaalsContact C-N 3.34Å; Q255-M260 HydrophobicContact CB-CE 3.44Å; Q255-M260 VanDerWaalsContact CB-CE 3.44Å; Q255-M260 HydrophobicContact CG-CE 3.52Å | ||
| 256 | F | 95.8 | Very high | 95 | Very high | 103 Ų | 103 | 92.1 Ų | 92.1 | 45% | 0.452 | 50% | 0.499 | S | S | . | . | trans | -106.6 | 120.7 | -179.4 | -58.9 | -70.3 | 0 | 0 | 0 | 112.2 | H258 E259 M260 | F256-H258 VanDerWaalsContact CB-CE1 3.47Å; F256-H258 WeakPolarHBondContact CB-CE1 3.15Å; F256-H258 AromaticContact CG-CE1 3.98Å; F256-H258 PolarHBondContact O-N 3.26Å; F256-H258 VanDerWaalsContact O-N 3.08Å; F256-E259 HydrophobicContact CB-CG 4.17Å; F256-E259 PolarHBondContact O-N 3.02Å; F256-M260 WeakPolarHBondContact O-CG 3.28Å; F256-M260 PolarHBondContact O-N 2.99Å; F256-M260 VanDerWaalsContact O-N 3.15Å | ||
| 257 | P | 94.1 | Very high | 95 | Very high | 63 Ų | 63 | 94.8 Ų | 94.8 | 41% | 0.409 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -23.5 | -176.6 | -27.7 | 34.6 | 0 | 0 | 0 | 116.2 | L251 | L251-P257 HydrophobicContact CD1-CG 3.55Å; L251-P257 HydrophobicContact CD2-CG 3.91Å; L251-P257 HydrophobicContact CG-CG 4.39Å |
| 258 | H | 95.8 | Very high | 94.9 | Very high | 155 Ų | 155 | 96.1 Ų | 96.1 | 72% | 0.718 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -23.7 | 179.1 | 61.5 | -92.8 | 0 | 0 | 0 | 112.5 | F256 | F256-H258 VanDerWaalsContact CB-CE1 3.47Å; F256-H258 WeakPolarHBondContact CB-CE1 3.15Å; F256-H258 AromaticContact CG-CE1 3.98Å; F256-H258 PolarHBondContact O-N 3.26Å; F256-H258 VanDerWaalsContact O-N 3.08Å |
| 259 | E | 95.9 | Very high | 95 | Very high | 135 Ų | 135 | 96.7 Ų | 96.7 | 63% | 0.631 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -23.7 | 173.1 | -57.6 | -180 | 161.6 | 0 | 0 | 111.6 | F256 | F256-E259 HydrophobicContact CB-CG 4.17Å; F256-E259 PolarHBondContact O-N 3.02Å |
| 260 | M | 94.9 | Very high | 94.9 | Very high | 53 Ų | 53 | 100 Ų | 100 | 26% | 0.261 | 53% | 0.526 | S | S | . | . | trans | -69.5 | 133.6 | -179.4 | -75.1 | -175.8 | 159.2 | 0 | 0 | 113.1 | L251 Q255 F256 F262 | L251-M260 HydrophobicContact CD2-CE 4.25Å; L251-M260 HydrophobicContact CD2-SD 3.88Å; Q255-M260 HydrophobicContact CB-CE 3.44Å; Q255-M260 VanDerWaalsContact CB-CE 3.44Å; Q255-M260 HydrophobicContact CG-CE 3.52Å; F256-M260 WeakPolarHBondContact O-CG 3.28Å; F256-M260 PolarHBondContact O-N 2.99Å; F256-M260 VanDerWaalsContact O-N 3.15Å; M260-F262 HydrophobicContact CB-CE2 3.9Å; M260-F262 HydrophobicContact CB-CZ 3.96Å; M260-F262 HydrophobicContact SD-CZ 4.16Å | ||
| 261 | V | 94.4 | Very high | 95 | Very high | 110 Ų | 110 | 104.8 Ų | 104.8 | 67% | 0.667 | 53% | 0.533 | S | S | * | . | trans | -97.5 | 115.4 | 168.6 | -179.8 | 0 | 0 | 0 | 0 | 108.9 | K169 | K169-V261 HydrophobicContact CD-CG1 3.92Š| ||
| 262 | F | 93.1 | Very high | 95 | Very high | 64 Ų | 64 | 106.4 Ų | 106.4 | 28% | 0.281 | 54% | 0.54 | S | S | . | . | trans | -88.9 | 0 | 175.6 | -62.6 | -81.5 | 0 | 0 | 0 | 111.6 | I122 I166 T168 K169 W249 M260 | I122-F262 HydrophobicContact CD1-CD1 3.9Å; I122-F262 HydrophobicContact CD1-CE1 4.15Å; I166-F262 HydrophobicContact CD1-CE1 4.14Å; I166-F262 HydrophobicContact CD1-CZ 4.2Å; I166-F262 HydrophobicContact CG2-CB 3.68Å; I166-F262 HydrophobicContact CG2-CD1 3.74Å; I166-F262 HydrophobicContact CG2-CD2 4.03Å; I166-F262 HydrophobicContact CG2-CE1 4.38Å; I166-F262 HydrophobicContact CG2-CG 3.53Å; T168-F262 WeakPolarHBondContact CA-OXT 3.39Å; T168-F262 WeakPolarHBondContact CB-OXT 3.19Å; K169-F262 VanDerWaalsContact CG-O 3.32Å; K169-F262 WeakPolarHBondContact CG-O 3.27Å; K169-F262 PolarHBondContact N-O 3.36Å; K169-F262 PolarHBondContact N-OXT 3.29Å; W249-F262 AromaticContact CE2-CE1 3.88Å; W249-F262 AromaticContact CZ2-CE1 3.71Å; W249-F262 HydrophobicContact CZ2-CE1 3.71Å; W249-F262 AromaticContact CZ2-CZ 3.86Å; W249-F262 HydrophobicContact CZ2-CZ 3.86Å; W249-F262 AromaticContact NE1-CE1 3.84Å; M260-F262 HydrophobicContact CB-CE2 3.9Å; M260-F262 HydrophobicContact CB-CZ 3.96Å; M260-F262 HydrophobicContact SD-CZ 4.16Å |
Retrieved 262 of 262 residues in 108.7 ms
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