| 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 | 43.4 | Very low | 54.9 | Low | 243 Ų | 243 | 157 Ų | 157 | 100% | 1.197 | 74% | 0.744 | S | S | * | * | 0 | 112.4 | 0 | -78 | -174.2 | -101.1 | 0 | 0 | 108.5 | |||||
| 2 | R | 42.2 | Very low | 56.4 | Low | 249 Ų | 249 | 149 Ų | 149 | 94% | 0.94 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 121.5 | 174.1 | -81.3 | -179.1 | 173.6 | 166.4 | -2.6 | 108.3 | M4 | R2-M4 PolarHBondContact O-N 3.29Š|
| 3 | R | 40.3 | Very low | 57.3 | Low | 250 Ų | 250 | 141.5 Ų | 141.5 | 94% | 0.943 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 117.7 | 170.8 | -68.4 | -172.2 | -173.1 | -161.2 | 2.6 | 107.5 | ||
| 4 | M | 39.5 | Very low | 58.4 | Low | 178 Ų | 178 | 139.6 Ų | 139.6 | 88% | 0.877 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 121.1 | 169.4 | -62.7 | -87.6 | -95.2 | 0 | 0 | 106.8 | R2 | R2-M4 PolarHBondContact O-N 3.29Š|
| 5 | A | 57.4 | Low | 59.6 | Low | 94 Ų | 94 | 142.7 Ų | 142.7 | 78% | 0.777 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 130.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | K7 | A5-K7 PolarHBondContact O-N 3.44Š|
| 6 | L | 47.8 | Very low | 60.4 | Low | 170 Ų | 170 | 139.1 Ų | 139.1 | 89% | 0.89 | 69% | 0.692 | S | S | * | * | trans | -70.9 | 111.1 | 172.4 | -77.6 | 115.1 | 0 | 0 | 0 | 108.3 | ||||
| 7 | K | 61.6 | Low | 61.1 | Low | 134 Ų | 134 | 139.2 Ų | 139.2 | 58% | 0.583 | 68% | 0.684 | S | S | * | * | trans | -64.3 | 140.3 | 173.2 | -63.3 | -169.9 | 172.8 | -139.6 | 0 | 110.1 | A5 L9 D24 | A5-K7 PolarHBondContact O-N 3.44Å; K7-L9 PolarHBondContact O-N 3.37Å; K7-D24 IonicContact NZ-OD1 3.77Å; K7-D24 PolarHBondContact NZ-OD1 3.3Å; K7-D24 IonicContact NZ-OD2 2.73Å; K7-D24 PolarHBondContact NZ-OD2 3.11Å | ||
| 8 | K | 64 | Low | 61.9 | Low | 126 Ų | 126 | 137.4 Ų | 137.4 | 55% | 0.548 | 68% | 0.677 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.4 | 110.1 | 174.4 | -64.6 | -178.8 | -161.4 | 121.1 | 0 | 108.9 | D25 | K8-D25 IonicContact NZ-OD1 2.63Å; K8-D25 PolarHBondContact NZ-OD1 2.99Å; K8-D25 IonicContact NZ-OD2 2.84Å; K8-D25 PolarHBondContact NZ-OD2 3.46Å |
| 9 | L | 67.4 | Low | 62.4 | Low | 86 Ų | 86 | 133.8 Ų | 133.8 | 45% | 0.45 | 66% | 0.661 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.7 | 129.5 | 176 | -175.6 | 71.2 | 0 | 0 | 0 | 109.7 | K7 V11 L20 D22 | K7-L9 PolarHBondContact O-N 3.37Å; L9-V11 HydrophobicContact CD2-CG2 4.35Å; L9-V11 HydrophobicContact CG-CG2 4.46Å; L9-L20 HydrophobicContact CD1-CB 3.93Å; L9-L20 HydrophobicContact CD1-CD2 3.97Å; L9-L20 HydrophobicContact CD1-CG 3.89Å; L9-L20 HydrophobicContact CD2-CD2 3.63Å; L9-L20 HydrophobicContact CD2-CG 3.91Å; L9-L20 HydrophobicContact CG-CD2 4.33Å; L9-L20 HydrophobicContact CG-CG 4.22Å; L9-D22 WeakPolarHBondContact CD1-OD1 3.34Å |
| 10 | K | 71.9 | Confident | 62.8 | Low | 126 Ų | 126 | 132.4 Ų | 132.4 | 55% | 0.548 | 66% | 0.655 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.3 | 130.6 | 169.7 | -168.3 | 163.1 | -178.6 | 164.9 | 0 | 110 | L21 F23 | K10-L21 PolarHBondContact N-O 3.09Å; K10-L21 VanDerWaalsContact N-O 3.12Å; K10-L21 PolarHBondContact O-N 3.5Å; K10-F23 HydrophobicContact CB-CE2 4.07Å; K10-F23 HydrophobicContact CD-CE2 4.48Å |
| 11 | V | 68.8 | Low | 62.9 | Low | 71 Ų | 71 | 129.4 Ų | 129.4 | 43% | 0.43 | 64% | 0.641 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.7 | 117.7 | 179.7 | -177.7 | 0 | 0 | 0 | 0 | 108.9 | L9 L18 L19 L20 | L9-V11 HydrophobicContact CD2-CG2 4.35Å; L9-V11 HydrophobicContact CG-CG2 4.46Å; V11-L18 HydrophobicContact CG1-CB 3.98Å; V11-L18 HydrophobicContact CG1-CD1 3.99Å; V11-L18 HydrophobicContact CG1-CD2 4.09Å; V11-L18 HydrophobicContact CG1-CG 4.24Å; V11-L19 WeakPolarHBondContact CA-O 3.33Å; V11-L20 HydrophobicContact CG2-CD1 4.4Å; V11-L20 HydrophobicContact CG2-CG 4.46Å |
| 12 | I | 72.6 | Confident | 63.7 | Low | 61 Ų | 61 | 123.2 Ų | 123.2 | 31% | 0.313 | 61% | 0.613 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106 | 118.2 | 175.3 | -58.1 | 179.5 | 0 | 0 | 0 | 108.6 | L19 L21 | I12-L19 HydrophobicContact CB-CB 4.32Å; I12-L19 PolarHBondContact N-O 3.18Å; I12-L19 PolarHBondContact O-N 2.98Å; I12-L21 HydrophobicContact CD1-CD1 3.64Å; I12-L21 HydrophobicContact CG1-CD1 4.43Å |
| 13 | P | 68.3 | Low | 64.2 | Low | 51 Ų | 51 | 116.7 Ų | 116.7 | 33% | 0.331 | 59% | 0.592 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -71 | 136.1 | 173.9 | -11.9 | 26.1 | 0 | 0 | 0 | 112.2 | L18 | P13-L18 HydrophobicContact CB-CD2 4.08Å |
| 14 | K | 72.6 | Confident | 65 | Low | 115 Ų | 115 | 109.7 Ų | 109.7 | 50% | 0.5 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -129 | 164.7 | 167.8 | -66.4 | -65 | -176.1 | 174.5 | 0 | 110 | G16 Y17 L19 | K14-G16 PolarHBondContact O-N 3.36Å; K14-Y17 CarbonylContact C-O 3.6Å; K14-Y17 HydrophobicContact CB-CD1 4.47Å; K14-Y17 HydrophobicContact CB-CD2 4.19Å; K14-Y17 HydrophobicContact CB-CE1 4.13Å; K14-Y17 HydrophobicContact CB-CE2 3.83Å; K14-Y17 HydrophobicContact CB-CG 4.49Å; K14-Y17 HydrophobicContact CG-CE2 3.97Å; K14-Y17 PolarHBondContact N-O 3.21Å; K14-Y17 PolarHBondContact O-N 3.14Å; K14-L19 HydrophobicContact CG-CD1 3.78Å |
| 15 | E | 76.1 | Confident | 65.8 | Low | 186 Ų | 186 | 106.9 Ų | 106.9 | 87% | 0.869 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.1 | 109.3 | 170.5 | -108.4 | 69.6 | -139.6 | 0 | 0 | 109.7 | Y17 | E15-Y17 WeakPolarHBondContact O-CD1 3.39Š|
| 16 | G | 73.1 | Confident | 65.7 | Low | 85 Ų | 85 | 109.9 Ų | 109.9 | 88% | 0.876 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 89.2 | -7.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 117 | K14 | K14-G16 PolarHBondContact O-N 3.36Š|
| 17 | Y | 72.3 | Confident | 65.8 | Low | 141 Ų | 141 | 109.7 Ų | 109.7 | 55% | 0.553 | 56% | 0.559 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -157.9 | 164.8 | 178.3 | 58.9 | -84.1 | 0 | 0 | 0 | 112.9 | K14 E15 L19 | K14-Y17 CarbonylContact C-O 3.6Å; K14-Y17 HydrophobicContact CB-CD1 4.47Å; K14-Y17 HydrophobicContact CB-CD2 4.19Å; K14-Y17 HydrophobicContact CB-CE1 4.13Å; K14-Y17 HydrophobicContact CB-CE2 3.83Å; K14-Y17 HydrophobicContact CB-CG 4.49Å; K14-Y17 HydrophobicContact CG-CE2 3.97Å; K14-Y17 PolarHBondContact N-O 3.21Å; K14-Y17 PolarHBondContact O-N 3.14Å; E15-Y17 WeakPolarHBondContact O-CD1 3.39Å; Y17-L19 HydrophobicContact CD2-CG 4.23Å; Y17-L19 HydrophobicContact CE2-CD1 4.01Å; Y17-L19 HydrophobicContact CE2-CD2 4.48Å; Y17-L19 HydrophobicContact CE2-CG 3.85Å |
| 18 | L | 74.6 | Confident | 65.2 | Low | 107 Ų | 107 | 110.4 Ų | 110.4 | 56% | 0.56 | 57% | 0.569 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -108.5 | 125 | 172.9 | -63.2 | -179.8 | 0 | 0 | 0 | 109.2 | V11 P13 L20 | V11-L18 HydrophobicContact CG1-CB 3.98Å; V11-L18 HydrophobicContact CG1-CD1 3.99Å; V11-L18 HydrophobicContact CG1-CD2 4.09Å; V11-L18 HydrophobicContact CG1-CG 4.24Å; P13-L18 HydrophobicContact CB-CD2 4.08Å; L18-L20 HydrophobicContact CB-CD1 4.39Å |
| 19 | L | 72.6 | Confident | 64.4 | Low | 70 Ų | 70 | 111.2 Ų | 111.2 | 37% | 0.366 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.9 | 119.3 | 169 | -84.1 | 156.5 | 0 | 0 | 0 | 108.8 | V11 I12 K14 Y17 | V11-L19 WeakPolarHBondContact CA-O 3.33Å; I12-L19 HydrophobicContact CB-CB 4.32Å; I12-L19 PolarHBondContact N-O 3.18Å; I12-L19 PolarHBondContact O-N 2.98Å; K14-L19 HydrophobicContact CG-CD1 3.78Å; Y17-L19 HydrophobicContact CD2-CG 4.23Å; Y17-L19 HydrophobicContact CE2-CD1 4.01Å; Y17-L19 HydrophobicContact CE2-CD2 4.48Å; Y17-L19 HydrophobicContact CE2-CG 3.85Å |
| 20 | L | 69.2 | Low | 63.4 | Low | 105 Ų | 105 | 114.3 Ų | 114.3 | 55% | 0.55 | 60% | 0.595 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93 | 119.7 | 168.9 | -92.4 | 71.8 | 0 | 0 | 0 | 108 | L9 V11 L18 | L9-L20 HydrophobicContact CD1-CB 3.93Å; L9-L20 HydrophobicContact CD1-CD2 3.97Å; L9-L20 HydrophobicContact CD1-CG 3.89Å; L9-L20 HydrophobicContact CD2-CD2 3.63Å; L9-L20 HydrophobicContact CD2-CG 3.91Å; L9-L20 HydrophobicContact CG-CD2 4.33Å; L9-L20 HydrophobicContact CG-CG 4.22Å; V11-L20 HydrophobicContact CG2-CD1 4.4Å; V11-L20 HydrophobicContact CG2-CG 4.46Å; L18-L20 HydrophobicContact CB-CD1 4.39Å |
| 21 | L | 65 | Low | 61.9 | Low | 70 Ų | 70 | 117.1 Ų | 117.1 | 37% | 0.366 | 61% | 0.607 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109 | 116.7 | 172.8 | -64.5 | 173.9 | 0 | 0 | 0 | 108.6 | K10 I12 F23 | K10-L21 PolarHBondContact N-O 3.09Å; K10-L21 VanDerWaalsContact N-O 3.12Å; K10-L21 PolarHBondContact O-N 3.5Å; I12-L21 HydrophobicContact CD1-CD1 3.64Å; I12-L21 HydrophobicContact CG1-CD1 4.43Å; L21-F23 HydrophobicContact CB-CE2 4.37Å |
| 22 | D | 61.3 | Low | 60.6 | Low | 113 Ų | 113 | 119.7 Ų | 119.7 | 60% | 0.604 | 62% | 0.623 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -82 | 116.3 | 170 | -71.1 | -23.2 | 0 | 0 | 0 | 108.1 | L9 | L9-D22 WeakPolarHBondContact CD1-OD1 3.34Å |
| 23 | F | 50.9 | Low | 59.1 | Low | 112 Ų | 112 | 121 Ų | 121 | 49% | 0.491 | 64% | 0.637 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.9 | 95.8 | 160.3 | -67.4 | -85.1 | 0 | 0 | 0 | 105.8 | K10 L21 D25 | K10-F23 HydrophobicContact CB-CE2 4.07Å; K10-F23 HydrophobicContact CD-CE2 4.48Å; L21-F23 HydrophobicContact CB-CE2 4.37Å; F23-D25 PolarHBondContact O-N 3.32Å |
| 24 | D | 57.6 | Low | 57.9 | Low | 102 Ų | 102 | 126.4 Ų | 126.4 | 55% | 0.545 | 66% | 0.659 | S | S | . | * | trans | -64.6 | 128.7 | 157.2 | -90.1 | -27.2 | 0 | 0 | 0 | 105.8 | K7 E26 | K7-D24 IonicContact NZ-OD1 3.77Å; K7-D24 PolarHBondContact NZ-OD1 3.3Å; K7-D24 IonicContact NZ-OD2 2.73Å; K7-D24 PolarHBondContact NZ-OD2 3.11Å; D24-E26 PolarHBondContact O-N 3.14Å | ||
| 25 | D | 56.1 | Low | 56.4 | Low | 120 Ų | 120 | 130 Ų | 130 | 64% | 0.642 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -69 | 26.1 | -170.4 | -94.3 | -31.8 | 0 | 0 | 0 | 112.8 | K8 F23 | K8-D25 IonicContact NZ-OD1 2.63Å; K8-D25 PolarHBondContact NZ-OD1 2.99Å; K8-D25 IonicContact NZ-OD2 2.84Å; K8-D25 PolarHBondContact NZ-OD2 3.46Å; F23-D25 PolarHBondContact O-N 3.32Å |
| 26 | E | 55.2 | Low | 54.7 | Low | 157 Ų | 157 | 125 Ų | 125 | 73% | 0.734 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -126.3 | 133.1 | 176.4 | -68.2 | -91.3 | 160.3 | 0 | 0 | 107.7 | D24 D28 | D24-E26 PolarHBondContact O-N 3.14Å; E26-D28 PolarHBondContact O-N 3.19Å |
| 27 | D | 51.1 | Low | 53.1 | Low | 166 Ų | 166 | 128 Ų | 128 | 89% | 0.888 | 66% | 0.663 | S | S | * | * | trans | -54.9 | 49.1 | -170.2 | -62.4 | -66.8 | 0 | 0 | 0 | 117.5 | D29 | D27-D29 PolarHBondContact O-N 2.91Š| ||
| 28 | D | 48.8 | Very low | 51.6 | Low | 148 Ų | 148 | 128.7 Ų | 128.7 | 79% | 0.791 | 68% | 0.675 | S | S | * | * | trans | -86.6 | 99.9 | 174.9 | -78.3 | -31.9 | 0 | 0 | 0 | 109.6 | E26 I30 | E26-D28 PolarHBondContact O-N 3.19Å; D28-I30 PolarHBondContact O-N 3.14Å | ||
| 29 | D | 47.4 | Very low | 49.8 | Very low | 144 Ų | 144 | 132.2 Ų | 132.2 | 77% | 0.77 | 69% | 0.688 | S | S | * | * | trans | -29.9 | 124.1 | 164.4 | -76.9 | -44.9 | 0 | 0 | 0 | 111.1 | D27 K31 | D27-D29 PolarHBondContact O-N 2.91Å; D29-K31 VanDerWaalsContact C-N 3.3Å; D29-K31 VanDerWaalsContact O-CG 3.24Å; D29-K31 WeakPolarHBondContact O-CG 3.36Å; D29-K31 PolarHBondContact O-N 3.06Å | ||
| 30 | I | 44.9 | Very low | 48.2 | Very low | 150 Ų | 150 | 134.6 Ų | 134.6 | 77% | 0.769 | 71% | 0.706 | S | S | * | * | trans | -43.7 | 89.7 | -178.1 | -51.8 | 166.9 | 0 | 0 | 0 | 109.8 | D28 V32 | D28-I30 PolarHBondContact O-N 3.14Å; I30-V32 VanDerWaalsContact C-N 3.26Å; I30-V32 HydrophobicContact CG2-CG2 3.82Å; I30-V32 PolarHBondContact O-N 3.33Å | ||
| 31 | K | 42.2 | Very low | 47 | Very low | 185 Ų | 185 | 138.5 Ų | 138.5 | 80% | 0.804 | 72% | 0.718 | S | S | * | * | trans | -78.3 | 89.8 | 173 | -64 | -127.9 | -178.6 | -173.6 | 0 | 105.6 | D29 S33 | D29-K31 VanDerWaalsContact C-N 3.3Å; D29-K31 VanDerWaalsContact O-CG 3.24Å; D29-K31 WeakPolarHBondContact O-CG 3.36Å; D29-K31 PolarHBondContact O-N 3.06Å; K31-S33 PolarHBondContact O-N 3.04Å | ||
| 32 | V | 40.1 | Very low | 45.9 | Very low | 125 Ų | 125 | 139.7 Ų | 139.7 | 76% | 0.758 | 73% | 0.733 | S | S | * | * | trans | -64.9 | 79.6 | 165.2 | -176.3 | 0 | 0 | 0 | 0 | 106.7 | I30 E34 | I30-V32 VanDerWaalsContact C-N 3.26Å; I30-V32 HydrophobicContact CG2-CG2 3.82Å; I30-V32 PolarHBondContact O-N 3.33Å; V32-E34 PolarHBondContact O-N 3.24Å | ||
| 33 | S | 41.9 | Very low | 44.6 | Very low | 88 Ų | 88 | 139.9 Ų | 139.9 | 62% | 0.615 | 74% | 0.74 | S | S | * | * | trans | -77.3 | 105.9 | 166.7 | 51.9 | 0 | 0 | 0 | 0 | 106.8 | K31 E35 | K31-S33 PolarHBondContact O-N 3.04Å; S33-E35 PolarHBondContact O-N 3.5Å | ||
| 34 | E | 43.3 | Very low | 43.9 | Very low | 166 Ų | 166 | 138.9 Ų | 138.9 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -61 | -4.4 | 179.4 | -164.1 | 170.2 | -178.4 | 0 | 0 | 113.4 | V32 A36 | V32-E34 PolarHBondContact O-N 3.24Å; E34-A36 PolarHBondContact O-N 3.44Å |
| 35 | E | 40.2 | Very low | 42.9 | Very low | 190 Ų | 190 | 143.7 Ų | 143.7 | 89% | 0.888 | 77% | 0.769 | S | S | * | * | G | 310 helix | trans | -88.8 | 3.2 | -170 | -63.7 | -166.2 | 157.6 | 0 | 0 | 115.9 | S33 | S33-E35 PolarHBondContact O-N 3.5Š|
| 36 | A | 41.1 | Very low | 42 | Very low | 80 Ų | 80 | 144.5 Ų | 144.5 | 66% | 0.661 | 77% | 0.773 | S | S | * | * | G | 310 helix | trans | -105.3 | 24.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | E34 L38 | E34-A36 PolarHBondContact O-N 3.44Å; A36-L38 PolarHBondContact O-N 2.91Å |
| 37 | L | 39.5 | Very low | 41.5 | Very low | 150 Ų | 150 | 147.2 Ų | 147.2 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | -67.8 | 74.5 | 163 | -66.3 | -180 | 0 | 0 | 0 | 108.8 | E39 | L37-E39 PolarHBondContact O-N 3.11Š| ||
| 38 | L | 39.8 | Very low | 40.6 | Very low | 155 Ų | 155 | 145.6 Ų | 145.6 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | trans | -60.4 | 97.9 | 159.6 | -79.6 | 172.5 | 0 | 0 | 0 | 105.8 | A36 V40 | A36-L38 PolarHBondContact O-N 2.91Å; L38-V40 HydrophobicContact CB-CG2 4.16Å; L38-V40 PolarHBondContact O-N 2.87Å | ||
| 39 | E | 38.3 | Very low | 39.9 | Very low | 180 Ų | 180 | 146.9 Ų | 146.9 | 84% | 0.841 | 78% | 0.775 | S | S | * | * | trans | -65.6 | 69 | 170.2 | -159.3 | 166.9 | -163.8 | 0 | 0 | 107.5 | L37 K41 | L37-E39 PolarHBondContact O-N 3.11Å; E39-K41 PolarHBondContact O-N 2.95Å | ||
| 40 | V | 38.9 | Very low | 39.3 | Very low | 120 Ų | 120 | 146.9 Ų | 146.9 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -71.2 | 87.2 | 168.8 | -178 | 0 | 0 | 0 | 0 | 104.7 | L38 S42 | L38-V40 HydrophobicContact CB-CG2 4.16Å; L38-V40 PolarHBondContact O-N 2.87Å; V40-S42 PolarHBondContact O-N 3.46Å | ||
| 41 | K | 42.7 | Very low | 39 | Very low | 188 Ų | 188 | 147 Ų | 147 | 82% | 0.817 | 78% | 0.775 | S | S | * | * | trans | -58.8 | 85.6 | 169.7 | -170.7 | 130.9 | -180 | 171.2 | 0 | 107.8 | E39 | E39-K41 PolarHBondContact O-N 2.95Š| ||
| 42 | S | 41.6 | Very low | 38.9 | Very low | 95 Ų | 95 | 143.2 Ų | 143.2 | 66% | 0.664 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 132.7 | 173 | 47.5 | 0 | 0 | 0 | 0 | 108.4 | V40 | V40-S42 PolarHBondContact O-N 3.46Š|
| 43 | P | 35.6 | Very low | 38.9 | Very low | 116 Ų | 116 | 143.1 Ų | 143.1 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 141 | -176.8 | -21.3 | 31.4 | 0 | 0 | 0 | 110.8 | F45 | P43-F45 PolarHBondContact O-N 3.5Š|
| 44 | A | 36.6 | Very low | 38.4 | Very low | 92 Ų | 92 | 147.1 Ų | 147.1 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -46.4 | 117.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | D46 | A44-D46 PolarHBondContact O-N 2.87Š|
| 45 | F | 35.6 | Very low | 38 | Very low | 202 Ų | 202 | 143.6 Ų | 143.6 | 89% | 0.886 | 78% | 0.783 | S | S | * | * | trans | -63.9 | 103.4 | 167.6 | -114.7 | -100 | 0 | 0 | 0 | 106.6 | P43 K47 | P43-F45 PolarHBondContact O-N 3.5Å; F45-K47 PolarHBondContact O-N 3.17Å; F45-K47 VanDerWaalsContact O-N 3.09Å | ||
| 46 | D | 37.6 | Very low | 37.8 | Very low | 138 Ų | 138 | 142.6 Ų | 142.6 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | trans | -55.4 | 114.3 | 170.3 | -90.8 | -37.2 | 0 | 0 | 0 | 107.9 | A44 N48 | A44-D46 PolarHBondContact O-N 2.87Å; D46-N48 PolarHBondContact O-N 2.99Å | ||
| 47 | K | 43.8 | Very low | 37.5 | Very low | 214 Ų | 214 | 143 Ų | 143 | 93% | 0.93 | 78% | 0.781 | S | S | * | * | trans | -72.5 | 71.7 | 172.8 | -63 | -179.6 | -179.3 | -179.4 | 0 | 107.8 | F45 | F45-K47 PolarHBondContact O-N 3.17Å; F45-K47 VanDerWaalsContact O-N 3.09Å | ||
| 48 | N | 33.4 | Very low | 37.4 | Very low | 131 Ų | 131 | 142 Ų | 142 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | trans | -87 | 119.3 | 168.9 | 70.4 | 21.2 | 0 | 0 | 0 | 110.1 | D46 | D46-N48 PolarHBondContact O-N 2.99Š| ||
| 49 | E | 34 | Very low | 37.6 | Very low | 176 Ų | 176 | 142.7 Ų | 142.7 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | trans | 55.5 | 113.7 | 143.5 | -69.9 | -177.5 | 149.9 | 0 | 0 | 120.1 | ||||
| 50 | N | 33.8 | Very low | 37.8 | Very low | 144 Ų | 144 | 141 Ų | 141 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | trans | 74.2 | 104.3 | 132.9 | -134.8 | -8.7 | 0 | 0 | 0 | 113.7 | ||||
| 51 | I | 40 | Very low | 38.1 | Very low | 151 Ų | 151 | 144.3 Ų | 144.3 | 77% | 0.774 | 78% | 0.783 | S | S | * | * | -158.5 | 117.5 | 80.6 | -74.5 | 135.7 | 0 | 0 | 0 | 106.6 | P53 | I51-P53 WeakPolarHBondContact O-CD 3.4Š| |||
| 52 | S | 38.7 | Very low | 37.6 | Very low | 106 Ų | 106 | 137.6 Ų | 137.6 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | trans | -58.1 | 128.1 | 163.1 | -84.8 | 0 | 0 | 0 | 0 | 108.2 | Q54 | S52-Q54 PolarHBondContact O-N 2.76Š| ||
| 53 | P | 40.1 | Very low | 37.6 | Very low | 124 Ų | 124 | 140.3 Ų | 140.3 | 81% | 0.805 | 77% | 0.774 | S | S | * | * | trans | -59.1 | 115.6 | 164.8 | -16.1 | 29.6 | 0 | 0 | 0 | 107.3 | I51 A55 | I51-P53 WeakPolarHBondContact O-CD 3.4Å; P53-A55 PolarHBondContact O-N 3.4Å | ||
| 54 | Q | 32.5 | Very low | 38.1 | Very low | 172 Ų | 172 | 142.6 Ų | 142.6 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | -51.9 | 127.7 | 170.8 | -168.5 | 175.7 | -82 | 0 | 0 | 108.2 | S52 E56 | S52-Q54 PolarHBondContact O-N 2.76Å; Q54-E56 PolarHBondContact O-N 3.4Å | ||
| 55 | A | 33.5 | Very low | 38.6 | Very low | 91 Ų | 91 | 145.5 Ų | 145.5 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | trans | -60.6 | 105.9 | 176 | 0 | 0 | 0 | 0 | 0 | 109.5 | P53 A57 | P53-A55 PolarHBondContact O-N 3.4Å; A55-A57 VanDerWaalsContact C-N 3.35Å; A55-A57 PolarHBondContact O-N 3.45Å | ||
| 56 | E | 36.1 | Very low | 38.9 | Very low | 169 Ų | 169 | 141.7 Ų | 141.7 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | trans | -86.4 | 90.4 | 157.9 | -70.3 | -176 | -173.9 | 0 | 0 | 106.1 | Q54 D58 | Q54-E56 PolarHBondContact O-N 3.4Å; E56-D58 PolarHBondContact O-N 3.06Å | ||
| 57 | A | 34.8 | Very low | 39.2 | Very low | 89 Ų | 89 | 140.1 Ų | 140.1 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | trans | -84.9 | 85.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 107 | A55 | A55-A57 VanDerWaalsContact C-N 3.35Å; A55-A57 PolarHBondContact O-N 3.45Å | ||
| 58 | D | 37.8 | Very low | 39.1 | Very low | 129 Ų | 129 | 138.3 Ų | 138.3 | 69% | 0.69 | 77% | 0.768 | S | S | * | * | trans | -135 | 118.9 | 172.5 | -76.5 | -39.3 | 0 | 0 | 0 | 110.6 | E56 | E56-D58 PolarHBondContact O-N 3.06Š| ||
| 59 | E | 45.1 | Very low | 39.5 | Very low | 170 Ų | 170 | 140 Ų | 140 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | trans | 74.4 | 92.3 | 144.7 | -55.8 | -176.5 | -169.6 | 0 | 0 | 116.6 | ||||
| 60 | D | 41.2 | Very low | 39.6 | Very low | 145 Ų | 145 | 138.4 Ų | 138.4 | 78% | 0.775 | 77% | 0.773 | S | S | * | * | 61.1 | 80.4 | 85 | -167.3 | 24.2 | 0 | 0 | 0 | 112.3 | G62 | D60-G62 PolarHBondContact OD1-N 3.36Š| |||
| 61 | M | 45.3 | Very low | 40.1 | Very low | 189 Ų | 189 | 140.8 Ų | 140.8 | 93% | 0.931 | 78% | 0.776 | S | S | * | * | trans | -117.4 | 62.1 | 155.7 | -67.2 | -69.5 | -93.4 | 0 | 0 | 107 | ||||
| 62 | G | 33.4 | Very low | 40.2 | Very low | 46 Ų | 46 | 137.9 Ų | 137.9 | 47% | 0.474 | 77% | 0.77 | S | S | . | * | trans | -65.6 | 121.7 | 146.5 | 0 | 0 | 0 | 0 | 0 | 108 | D60 | D60-G62 PolarHBondContact OD1-N 3.36Š| ||
| 63 | D | 40.3 | Very low | 40.1 | Very low | 153 Ų | 153 | 141 Ų | 141 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -171.2 | 105.2 | 137.8 | -89.9 | -18.6 | 0 | 0 | 0 | 108.7 | ||||
| 64 | E | 45.7 | Very low | 40.1 | Very low | 164 Ų | 164 | 140.1 Ų | 140.1 | 77% | 0.766 | 77% | 0.765 | S | S | * | * | trans | 63.5 | 72.4 | 130.6 | -149.3 | 169.6 | -152.8 | 0 | 0 | 117.1 | D66 | E64-D66 VanDerWaalsContact C-N 3.27Å; E64-D66 PolarHBondContact O-N 3.07Å | ||
| 65 | V | 49 | Very low | 40.4 | Very low | 152 Ų | 152 | 138.5 Ų | 138.5 | 92% | 0.921 | 76% | 0.762 | S | S | * | * | trans | -82 | 88.2 | 146.4 | -73.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 66 | D | 41.8 | Very low | 40.6 | Very low | 122 Ų | 122 | 140.8 Ų | 140.8 | 65% | 0.652 | 76% | 0.761 | S | S | * | * | trans | -47.5 | 132.3 | 177.9 | -162.1 | 7.2 | 0 | 0 | 0 | 112.1 | E64 M68 | E64-D66 VanDerWaalsContact C-N 3.27Å; E64-D66 PolarHBondContact O-N 3.07Å; D66-M68 PolarHBondContact O-N 3.33Å | ||
| 67 | S | 44 | Very low | 40.9 | Very low | 105 Ų | 105 | 138.5 Ų | 138.5 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | trans | -77.3 | 96.5 | -172.8 | 53.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 68 | M | 40.5 | Very low | 41.2 | Very low | 177 Ų | 177 | 139.1 Ų | 139.1 | 87% | 0.872 | 77% | 0.766 | S | S | * | * | trans | -125.8 | 57.2 | 160.6 | -75.9 | -178.8 | 85.6 | 0 | 0 | 110.5 | D66 D70 | D66-M68 PolarHBondContact O-N 3.33Å; M68-D70 VanDerWaalsContact C-N 3.32Å; M68-D70 PolarHBondContact O-N 3.4Å | ||
| 69 | L | 41.1 | Very low | 41.1 | Very low | 167 Ų | 167 | 140.6 Ų | 140.6 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | trans | -88.9 | 80.4 | 155.7 | -87.9 | 169.1 | 0 | 0 | 0 | 107.3 | K71 | L69-K71 PolarHBondContact O-N 3.3Å; L69-K71 VanDerWaalsContact O-N 3.09Å | ||
| 70 | D | 38.1 | Very low | 40.7 | Very low | 141 Ų | 141 | 136 Ų | 136 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | trans | -64.6 | 107.8 | 171.1 | -172.3 | 17.3 | 0 | 0 | 0 | 108.7 | M68 S72 | M68-D70 VanDerWaalsContact C-N 3.32Å; M68-D70 PolarHBondContact O-N 3.4Å; D70-S72 PolarHBondContact O-N 3.12Å; D70-S72 VanDerWaalsContact O-N 3.09Å | ||
| 71 | K | 43.8 | Very low | 40.4 | Very low | 194 Ų | 194 | 138.7 Ų | 138.7 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | trans | -80.4 | 73.3 | 174.1 | -65.8 | -175.7 | -178.8 | -179 | 0 | 108.1 | L69 E73 | L69-K71 PolarHBondContact O-N 3.3Å; L69-K71 VanDerWaalsContact O-N 3.09Å; K71-E73 VanDerWaalsContact C-N 3.3Å; K71-E73 PolarHBondContact O-N 2.95Å | ||
| 72 | S | 41 | Very low | 40.2 | Very low | 91 Ų | 91 | 136.9 Ų | 136.9 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | trans | -78.6 | 89.1 | 166.3 | 68.1 | 0 | 0 | 0 | 0 | 108.7 | D70 V74 | D70-S72 PolarHBondContact O-N 3.12Å; D70-S72 VanDerWaalsContact O-N 3.09Å; S72-V74 PolarHBondContact O-N 2.98Å; S72-V74 VanDerWaalsContact O-N 3.15Å | ||
| 73 | E | 37.2 | Very low | 40.6 | Very low | 170 Ų | 170 | 142.9 Ų | 142.9 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | trans | -62.7 | 106 | 171.8 | -163.5 | 166.7 | -160.7 | 0 | 0 | 108.9 | K71 N75 | K71-E73 VanDerWaalsContact C-N 3.3Å; K71-E73 PolarHBondContact O-N 2.95Å; E73-N75 PolarHBondContact O-N 2.73Å | ||
| 74 | V | 39.1 | Very low | 40.5 | Very low | 107 Ų | 107 | 143.2 Ų | 143.2 | 65% | 0.648 | 79% | 0.787 | S | S | * | * | trans | -68.9 | 95.5 | 177.4 | 172.3 | 0 | 0 | 0 | 0 | 108.7 | S72 N76 | S72-V74 PolarHBondContact O-N 2.98Å; S72-V74 VanDerWaalsContact O-N 3.15Å; V74-N76 WeakPolarHBondContact CG1-ND2 3.46Å; V74-N76 PolarHBondContact O-N 3Å | ||
| 75 | N | 40.4 | Very low | 40.3 | Very low | 138 Ų | 138 | 141.2 Ų | 141.2 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | trans | -77.5 | 100.8 | 164.9 | -76.6 | -50.9 | 0 | 0 | 0 | 108.7 | E73 P77 | E73-N75 PolarHBondContact O-N 2.73Å; N75-P77 WeakPolarHBondContact O-CD 3.33Å | ||
| 76 | N | 36.1 | Very low | 40 | Very low | 139 Ų | 139 | 138.9 Ų | 138.9 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | trans | -90.5 | 109.9 | 167.3 | -75.5 | -41.6 | 0 | 0 | 0 | 109 | V74 | V74-N76 WeakPolarHBondContact CG1-ND2 3.46Å; V74-N76 PolarHBondContact O-N 3Å | ||
| 77 | P | 44.3 | Very low | 40.3 | Very low | 120 Ų | 120 | 137.3 Ų | 137.3 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | trans | -77 | 127.7 | 169 | 1.8 | 15.7 | 0 | 0 | 0 | 109.2 | N75 I79 | N75-P77 WeakPolarHBondContact O-CD 3.33Å; P77-I79 PolarHBondContact O-N 2.97Å | ||
| 78 | A | 39.9 | Very low | 40.2 | Very low | 102 Ų | 102 | 141.4 Ų | 141.4 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | trans | -63.1 | 130.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | G80 | A78-G80 PolarHBondContact O-N 3.27Š| ||
| 79 | I | 36.4 | Very low | 40.6 | Very low | 160 Ų | 160 | 137.5 Ų | 137.5 | 82% | 0.821 | 77% | 0.767 | S | S | * | * | trans | -44.3 | 110 | 172.6 | -77 | 152.5 | 0 | 0 | 0 | 112.5 | P77 | P77-I79 PolarHBondContact O-N 2.97Š| ||
| 80 | G | 36.3 | Very low | 40.9 | Very low | 75 Ų | 75 | 139.4 Ų | 139.4 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | trans | -91.2 | 117.5 | 159 | 0 | 0 | 0 | 0 | 0 | 109 | A78 D82 | A78-G80 PolarHBondContact O-N 3.27Å; G80-D82 PolarHBondContact O-N 3.28Å | ||
| 81 | K | 35.2 | Very low | 41.5 | Very low | 201 Ų | 201 | 135.5 Ų | 135.5 | 87% | 0.874 | 76% | 0.761 | S | S | * | * | trans | -70.7 | 117.5 | 173.6 | -61.6 | -179.7 | 178.5 | -178 | 0 | 108.7 | ||||
| 82 | D | 40.1 | Very low | 42.1 | Very low | 151 Ų | 151 | 130.8 Ų | 130.8 | 81% | 0.807 | 75% | 0.745 | S | S | * | * | trans | -148 | 155.6 | 155.9 | -145.6 | -8.3 | 0 | 0 | 0 | 110.9 | G80 | G80-D82 PolarHBondContact O-N 3.28Š| ||
| 83 | E | 41.9 | Very low | 43.1 | Very low | 171 Ų | 171 | 135.2 Ų | 135.2 | 80% | 0.799 | 76% | 0.755 | S | S | * | * | trans | -78.8 | 148.2 | -143.3 | -68 | 171.1 | 147.1 | 0 | 0 | 115.4 | T85 | E83-T85 PolarHBondContact O-N 3.48Š| ||
| 84 | N | 38.4 | Very low | 44.7 | Very low | 161 Ų | 161 | 133.4 Ų | 133.4 | 86% | 0.861 | 75% | 0.752 | S | S | * | * | trans | -42.1 | 84.7 | 170.2 | -166.9 | 38.8 | 0 | 0 | 0 | 114 | ||||
| 85 | T | 42.6 | Very low | 46.3 | Very low | 122 Ų | 122 | 133.8 Ų | 133.8 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | trans | -99.7 | 118.6 | 155.2 | -53.5 | 0 | 0 | 0 | 0 | 106.3 | E83 P87 | E83-T85 PolarHBondContact O-N 3.48Å; T85-P87 HydrophobicContact CG2-CG 4.44Å; T85-P87 WeakPolarHBondContact O-CD 3.49Å | ||
| 86 | S | 42.2 | Very low | 48.2 | Very low | 102 Ų | 102 | 129.4 Ų | 129.4 | 71% | 0.713 | 74% | 0.735 | S | S | * | * | trans | -101.5 | 85.4 | 175.5 | 169.2 | 0 | 0 | 0 | 0 | 108.8 | Q88 | S86-Q88 PolarHBondContact O-N 2.91Š| ||
| 87 | P | 48.4 | Very low | 50.3 | Low | 90 Ų | 90 | 129.6 Ų | 129.6 | 58% | 0.584 | 73% | 0.731 | S | S | * | * | trans | -63.8 | 129.6 | 164.3 | -16.4 | 28.9 | 0 | 0 | 0 | 109 | T85 V89 | T85-P87 HydrophobicContact CG2-CG 4.44Å; T85-P87 WeakPolarHBondContact O-CD 3.49Å; P87-V89 VanDerWaalsContact C-N 3.3Å; P87-V89 PolarHBondContact O-N 3.32Å | ||
| 88 | Q | 41.7 | Very low | 52.3 | Low | 191 Ų | 191 | 128.6 Ų | 128.6 | 89% | 0.893 | 72% | 0.716 | S | S | * | * | trans | -61.9 | 91.3 | 168.1 | -71.3 | 177.4 | -15.2 | 0 | 0 | 108.8 | S86 K90 | S86-Q88 PolarHBondContact O-N 2.91Å; Q88-K90 PolarHBondContact O-N 2.96Å | ||
| 89 | V | 49.3 | Very low | 54.5 | Low | 94 Ų | 94 | 127.5 Ų | 127.5 | 57% | 0.57 | 70% | 0.699 | S | S | * | * | trans | -76.2 | 100.1 | 176.9 | -168.9 | 0 | 0 | 0 | 0 | 108.6 | P87 D92 | P87-V89 VanDerWaalsContact C-N 3.3Å; P87-V89 PolarHBondContact O-N 3.32Å; V89-D92 HydrophobicContact CG1-CB 4.42Å; V89-D92 WeakPolarHBondContact CG1-OD1 3.5Å; V89-D92 WeakPolarHBondContact CG1-OD2 3.49Å | ||
| 90 | K | 45.9 | Very low | 56.9 | Low | 208 Ų | 208 | 121.7 Ų | 121.7 | 90% | 0.904 | 68% | 0.679 | S | S | * | * | trans | -106.7 | 87 | 177 | -162.4 | 175 | -173.2 | 178.9 | 0 | 106.2 | Q88 | Q88-K90 PolarHBondContact O-N 2.96Š| ||
| 91 | G | 50.6 | Low | 59.3 | Low | 59 Ų | 59 | 120 Ų | 120 | 61% | 0.608 | 66% | 0.655 | S | S | * | * | trans | 162.9 | -0 | -178.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | E93 | G91-E93 PolarHBondContact O-N 3.48Š| ||
| 92 | D | 57.1 | Low | 61.9 | Low | 94 Ų | 94 | 115.3 Ų | 115.3 | 50% | 0.503 | 64% | 0.637 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86 | 3.7 | -170.3 | -73.8 | -9.1 | 0 | 0 | 0 | 115.6 | V89 D94 M95 G96 | V89-D92 HydrophobicContact CG1-CB 4.42Å; V89-D92 WeakPolarHBondContact CG1-OD1 3.5Å; V89-D92 WeakPolarHBondContact CG1-OD2 3.49Å; D92-D94 VanDerWaalsContact C-N 3.27Å; D92-D94 PolarHBondContact O-N 2.89Å; D92-M95 PolarHBondContact O-N 3.22Å; D92-G96 PolarHBondContact O-N 2.99Å |
| 93 | E | 62.3 | Low | 64.4 | Low | 184 Ų | 184 | 113.7 Ų | 113.7 | 86% | 0.86 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -62.1 | -34.4 | -177.9 | -68 | -178.2 | -172 | 0 | 0 | 112.6 | G91 G96 H97 | G91-E93 PolarHBondContact O-N 3.48Å; E93-G96 PolarHBondContact O-N 2.92Å; E93-H97 PolarHBondContact O-N 3.08Å |
| 94 | D | 69.8 | Low | 66.8 | Low | 133 Ų | 133 | 111.4 Ų | 111.4 | 71% | 0.711 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -69.4 | -44.6 | 178.4 | -166.9 | 29.1 | 0 | 0 | 0 | 111.8 | D92 G96 H97 E98 | D92-D94 VanDerWaalsContact C-N 3.27Å; D92-D94 PolarHBondContact O-N 2.89Å; D94-G96 VanDerWaalsContact C-N 3.26Å; D94-G96 PolarHBondContact O-N 3.38Å; D94-H97 PolarHBondContact O-N 3.34Å; D94-E98 PolarHBondContact O-N 3.49Å; D94-E98 VanDerWaalsContact O-N 3.13Å |
| 95 | M | 73.9 | Confident | 69.3 | Low | 114 Ų | 114 | 110.2 Ų | 110.2 | 56% | 0.562 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -62.7 | -34.9 | 173.4 | -61.8 | -61.3 | -117.9 | 0 | 0 | 111.4 | D92 H97 E98 V99 | D92-M95 PolarHBondContact O-N 3.22Å; M95-H97 PolarHBondContact O-N 3.2Å; M95-E98 PolarHBondContact O-N 3.37Å; M95-V99 WeakPolarHBondContact O-CB 3.45Å; M95-V99 VanDerWaalsContact O-CG2 3.24Å; M95-V99 WeakPolarHBondContact O-CG2 3.44Å; M95-V99 PolarHBondContact O-N 2.96Å |
| 96 | G | 79.5 | Confident | 71.7 | Confident | 47 Ų | 47 | 107.2 Ų | 107.2 | 49% | 0.485 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -61.6 | -40.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | D92 E93 D94 G100 | D92-G96 PolarHBondContact O-N 2.99Å; E93-G96 PolarHBondContact O-N 2.92Å; D94-G96 VanDerWaalsContact C-N 3.26Å; D94-G96 PolarHBondContact O-N 3.38Å; G96-G100 PolarHBondContact O-N 3.44Å |
| 97 | H | 81.4 | Confident | 74.1 | Confident | 143 Ų | 143 | 104.1 Ų | 104.1 | 66% | 0.662 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -70.4 | -43.3 | 175.3 | -170.7 | -35 | 0 | 0 | 0 | 111.5 | E93 D94 M95 G100 S101 | E93-H97 PolarHBondContact O-N 3.08Å; D94-H97 PolarHBondContact O-N 3.34Å; M95-H97 PolarHBondContact O-N 3.2Å; H97-G100 PolarHBondContact O-N 3.05Å; H97-S101 WeakPolarHBondContact O-CB 3.39Å; H97-S101 PolarHBondContact O-N 3.25Å |
| 98 | E | 84.8 | Confident | 76.3 | Confident | 98 Ų | 98 | 103.2 Ų | 103.2 | 46% | 0.458 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -59.3 | -51.8 | 177.7 | -176.7 | 174.8 | -174.7 | 0 | 0 | 110.7 | D94 M95 G100 S101 M102 | D94-E98 PolarHBondContact O-N 3.49Å; D94-E98 VanDerWaalsContact O-N 3.13Å; M95-E98 PolarHBondContact O-N 3.37Å; E98-G100 VanDerWaalsContact C-N 3.34Å; E98-G100 PolarHBondContact O-N 3.45Å; E98-S101 PolarHBondContact O-N 3.26Å; E98-S101 VanDerWaalsContact O-N 3.14Å; E98-S101 PolarHBondContact O-OG 3.06Å; E98-M102 HydrophobicContact CG-CE 3.68Å; E98-M102 HydrophobicContact CG-SD 4.36Å; E98-M102 WeakPolarHBondContact O-CG 3.5Å; E98-M102 PolarHBondContact O-N 3.48Å; E98-M102 WeakPolarHBondContact OE1-CE 3.36Å |
| 99 | V | 86.1 | Confident | 78.9 | Confident | 80 Ų | 80 | 98.7 Ų | 98.7 | 49% | 0.485 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -59.3 | -44.1 | 176.9 | 172.7 | 0 | 0 | 0 | 0 | 111 | M95 S101 M102 L103 | M95-V99 WeakPolarHBondContact O-CB 3.45Å; M95-V99 VanDerWaalsContact O-CG2 3.24Å; M95-V99 WeakPolarHBondContact O-CG2 3.44Å; M95-V99 PolarHBondContact O-N 2.96Å; V99-S101 VanDerWaalsContact C-N 3.32Å; V99-S101 PolarHBondContact O-N 3.42Å; V99-M102 PolarHBondContact O-N 3.11Å; V99-L103 HydrophobicContact CG1-CD1 3.98Å; V99-L103 HydrophobicContact CG1-CG 4.31Å; V99-L103 WeakPolarHBondContact O-CB 3.44Å; V99-L103 VanDerWaalsContact O-CG 3.3Å; V99-L103 WeakPolarHBondContact O-CG 3.46Å; V99-L103 PolarHBondContact O-N 2.88Å |
| 100 | G | 87.6 | Confident | 81.1 | Confident | 38 Ų | 38 | 98.7 Ų | 98.7 | 39% | 0.392 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -58.1 | -43.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | G96 H97 E98 L103 D104 | G96-G100 PolarHBondContact O-N 3.44Å; H97-G100 PolarHBondContact O-N 3.05Å; E98-G100 VanDerWaalsContact C-N 3.34Å; E98-G100 PolarHBondContact O-N 3.45Å; G100-L103 PolarHBondContact O-N 2.95Å; G100-D104 PolarHBondContact O-N 3.17Å |
| 101 | S | 87.3 | Confident | 83.6 | Confident | 38 Ų | 38 | 95.8 Ų | 95.8 | 27% | 0.266 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -69.1 | -34.1 | 177.6 | 80.2 | 0 | 0 | 0 | 0 | 113.2 | H97 E98 V99 K105 | H97-S101 WeakPolarHBondContact O-CB 3.39Å; H97-S101 PolarHBondContact O-N 3.25Å; E98-S101 PolarHBondContact O-N 3.26Å; E98-S101 VanDerWaalsContact O-N 3.14Å; E98-S101 PolarHBondContact O-OG 3.06Å; V99-S101 VanDerWaalsContact C-N 3.32Å; V99-S101 PolarHBondContact O-N 3.42Å; S101-K105 VanDerWaalsContact O-CG 3.27Å; S101-K105 WeakPolarHBondContact O-CG 3.41Å; S101-K105 PolarHBondContact O-N 3.36Å; S101-K105 VanDerWaalsContact O-N 3.13Å |
| 102 | M | 89.1 | Confident | 85.8 | Confident | 104 Ų | 104 | 97.8 Ų | 97.8 | 51% | 0.512 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69 | -40.6 | 174.9 | -71.8 | -178.2 | 178.3 | 0 | 0 | 111.3 | E98 V99 S106 | E98-M102 HydrophobicContact CG-CE 3.68Å; E98-M102 HydrophobicContact CG-SD 4.36Å; E98-M102 WeakPolarHBondContact O-CG 3.5Å; E98-M102 PolarHBondContact O-N 3.48Å; E98-M102 WeakPolarHBondContact OE1-CE 3.36Å; V99-M102 PolarHBondContact O-N 3.11Å; M102-S106 VanDerWaalsContact O-CB 3.26Å; M102-S106 WeakPolarHBondContact O-CB 3.39Å; M102-S106 PolarHBondContact O-N 2.96Å |
| 103 | L | 92.1 | Very high | 87.7 | Confident | 117 Ų | 117 | 97.6 Ų | 97.6 | 61% | 0.613 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.8 | -39.8 | 176.3 | -70.8 | 175.3 | 0 | 0 | 0 | 112.2 | V99 G100 S106 G107 | V99-L103 HydrophobicContact CG1-CD1 3.98Å; V99-L103 HydrophobicContact CG1-CG 4.31Å; V99-L103 WeakPolarHBondContact O-CB 3.44Å; V99-L103 VanDerWaalsContact O-CG 3.3Å; V99-L103 WeakPolarHBondContact O-CG 3.46Å; V99-L103 PolarHBondContact O-N 2.88Å; G100-L103 PolarHBondContact O-N 2.95Å; L103-S106 PolarHBondContact O-N 3.22Å; L103-G107 PolarHBondContact O-N 2.97Å |
| 104 | D | 92.1 | Very high | 89.4 | Confident | 123 Ų | 123 | 93.3 Ų | 93.3 | 66% | 0.658 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.5 | -47.6 | 176.4 | -171.5 | 50.1 | 0 | 0 | 0 | 111.4 | G100 S106 G107 D108 | G100-D104 PolarHBondContact O-N 3.17Å; D104-S106 PolarHBondContact O-N 3.48Å; D104-G107 PolarHBondContact O-N 3.17Å; D104-D108 PolarHBondContact O-N 2.93Å |
| 105 | K | 92.6 | Very high | 90.7 | Very high | 136 Ų | 136 | 90.4 Ų | 90.4 | 59% | 0.591 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -58.4 | -47.4 | 173.4 | -71.8 | 170.1 | -175.6 | 170.3 | 0 | 112 | S101 G107 D108 D109 | S101-K105 VanDerWaalsContact O-CG 3.27Å; S101-K105 WeakPolarHBondContact O-CG 3.41Å; S101-K105 PolarHBondContact O-N 3.36Å; S101-K105 VanDerWaalsContact O-N 3.13Å; K105-G107 VanDerWaalsContact C-N 3.32Å; K105-G107 PolarHBondContact O-N 3.35Å; K105-D108 PolarHBondContact O-N 2.87Å; K105-D109 PolarHBondContact O-N 3.36Å |
| 106 | S | 91.5 | Very high | 91.8 | Very high | 58 Ų | 58 | 90.5 Ų | 90.5 | 41% | 0.406 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.7 | -40.5 | 177 | -179.5 | 0 | 0 | 0 | 0 | 111.7 | M102 L103 D104 D109 I110 | M102-S106 VanDerWaalsContact O-CB 3.26Å; M102-S106 WeakPolarHBondContact O-CB 3.39Å; M102-S106 PolarHBondContact O-N 2.96Å; L103-S106 PolarHBondContact O-N 3.22Å; D104-S106 PolarHBondContact O-N 3.48Å; S106-D109 PolarHBondContact O-N 2.94Å; S106-I110 WeakPolarHBondContact O-CB 3.47Å; S106-I110 WeakPolarHBondContact O-CD1 3.49Å; S106-I110 WeakPolarHBondContact O-CG1 3.49Å; S106-I110 PolarHBondContact O-N 3.02Å |
| 107 | G | 94.2 | Very high | 92.7 | Very high | 37 Ų | 37 | 93.9 Ų | 93.9 | 38% | 0.381 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.4 | -43.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L103 D104 K105 I110 Y111 | L103-G107 PolarHBondContact O-N 2.97Å; D104-G107 PolarHBondContact O-N 3.17Å; K105-G107 VanDerWaalsContact C-N 3.32Å; K105-G107 PolarHBondContact O-N 3.35Å; G107-I110 PolarHBondContact O-N 3.39Å; G107-Y111 WeakPolarHBondContact O-CB 3.46Å; G107-Y111 PolarHBondContact O-N 3.28Å |
| 108 | D | 94.5 | Very high | 93.5 | Very high | 72 Ų | 72 | 92.9 Ų | 92.9 | 39% | 0.385 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.5 | -43 | 175.2 | -174.6 | 36.7 | 0 | 0 | 0 | 111.9 | D104 K105 I110 Y111 K112 | D104-D108 PolarHBondContact O-N 2.93Å; K105-D108 PolarHBondContact O-N 2.87Å; D108-I110 PolarHBondContact O-N 3.39Å; D108-Y111 PolarHBondContact O-N 3.26Å; D108-K112 WeakPolarHBondContact O-CB 3.42Å; D108-K112 VanDerWaalsContact O-CG 3.3Å; D108-K112 WeakPolarHBondContact O-CG 3.43Å; D108-K112 PolarHBondContact O-N 3.3Å; D108-K112 WeakPolarHBondContact OD1-CE 3.33Å; D108-K112 IonicContact OD1-NZ 2.62Å; D108-K112 WeakPolarHBondContact OD2-CE 3.41Å; D108-K112 IonicContact OD2-NZ 3.49Å; D108-K112 PolarHBondContact OD2-NZ 3.48Å |
| 109 | D | 95.1 | Very high | 94.1 | Very high | 95 Ų | 95 | 92.9 Ų | 92.9 | 51% | 0.508 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.9 | -42.2 | 176.1 | -73 | -20.9 | 0 | 0 | 0 | 112.1 | K105 S106 T113 | K105-D109 PolarHBondContact O-N 3.36Å; S106-D109 PolarHBondContact O-N 2.94Å; D109-T113 VanDerWaalsContact O-CB 3.31Å; D109-T113 WeakPolarHBondContact O-CB 3.39Å; D109-T113 PolarHBondContact O-N 2.95Å; D109-T113 PolarHBondContact O-OG1 3.28Å |
| 110 | I | 96.2 | Very high | 94.7 | Very high | 95 Ų | 95 | 97 Ų | 97 | 49% | 0.487 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.9 | -47.1 | 173.4 | -69.6 | 163.6 | 0 | 0 | 0 | 109.9 | S106 G107 D108 T113 L114 | S106-I110 WeakPolarHBondContact O-CB 3.47Å; S106-I110 WeakPolarHBondContact O-CD1 3.49Å; S106-I110 WeakPolarHBondContact O-CG1 3.49Å; S106-I110 PolarHBondContact O-N 3.02Å; G107-I110 PolarHBondContact O-N 3.39Å; D108-I110 PolarHBondContact O-N 3.39Å; I110-T113 PolarHBondContact O-N 3.05Å; I110-L114 HydrophobicContact CG2-CD1 3.82Å; I110-L114 HydrophobicContact CG2-CG 4.31Å; I110-L114 WeakPolarHBondContact O-CB 3.4Å; I110-L114 VanDerWaalsContact O-CG 3.29Å; I110-L114 WeakPolarHBondContact O-CG 3.41Å; I110-L114 PolarHBondContact O-N 3.42Å |
| 111 | Y | 97.2 | Very high | 95.2 | Very high | 146 Ų | 146 | 99 Ų | 99 | 57% | 0.573 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -60 | -48.2 | 179.6 | 177 | -93.7 | 0 | 0 | 0 | 111.8 | G107 D108 L114 H115 | G107-Y111 WeakPolarHBondContact O-CB 3.46Å; G107-Y111 PolarHBondContact O-N 3.28Å; D108-Y111 PolarHBondContact O-N 3.26Å; Y111-L114 PolarHBondContact O-N 3.41Å; Y111-H115 WeakPolarHBondContact O-CB 3.37Å; Y111-H115 PolarHBondContact O-N 3.39Å |
| 112 | K | 97 | Very high | 95.7 | Very high | 102 Ų | 102 | 101.6 Ų | 101.6 | 44% | 0.443 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.3 | -47.7 | 177 | -75 | 166.6 | 175.1 | 164.7 | 0 | 111.6 | D108 L114 H115 I116 | D108-K112 WeakPolarHBondContact O-CB 3.42Å; D108-K112 VanDerWaalsContact O-CG 3.3Å; D108-K112 WeakPolarHBondContact O-CG 3.43Å; D108-K112 PolarHBondContact O-N 3.3Å; D108-K112 WeakPolarHBondContact OD1-CE 3.33Å; D108-K112 IonicContact OD1-NZ 2.62Å; D108-K112 WeakPolarHBondContact OD2-CE 3.41Å; D108-K112 IonicContact OD2-NZ 3.49Å; D108-K112 PolarHBondContact OD2-NZ 3.48Å; K112-L114 PolarHBondContact O-N 2.95Å; K112-H115 WeakPolarHBondContact O-CB 3.45Å; K112-H115 PolarHBondContact O-N 3.39Å; K112-I116 WeakPolarHBondContact O-CG1 3.32Å; K112-I116 PolarHBondContact O-N 3.31Å |
| 113 | T | 97.4 | Very high | 96.1 | Very high | 90 Ų | 90 | 100.4 Ų | 100.4 | 55% | 0.552 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -60.4 | -47 | 178.8 | -59.3 | 0 | 0 | 0 | 0 | 111.3 | D109 I110 H115 I116 K117 | D109-T113 VanDerWaalsContact O-CB 3.31Å; D109-T113 WeakPolarHBondContact O-CB 3.39Å; D109-T113 PolarHBondContact O-N 2.95Å; D109-T113 PolarHBondContact O-OG1 3.28Å; I110-T113 PolarHBondContact O-N 3.05Å; T113-H115 VanDerWaalsContact C-N 3.33Å; T113-H115 PolarHBondContact O-N 3Å; T113-I116 PolarHBondContact O-N 2.95Å; T113-K117 WeakPolarHBondContact O-CB 3.44Å; T113-K117 PolarHBondContact O-N 3.49Å |
| 114 | L | 97.4 | Very high | 96.3 | Very high | 93 Ų | 93 | 101.7 Ų | 101.7 | 49% | 0.487 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.3 | -36.9 | 176.6 | -71.8 | 176.5 | 0 | 0 | 0 | 112.4 | I110 Y111 K112 R118 | I110-L114 HydrophobicContact CG2-CD1 3.82Å; I110-L114 HydrophobicContact CG2-CG 4.31Å; I110-L114 WeakPolarHBondContact O-CB 3.4Å; I110-L114 VanDerWaalsContact O-CG 3.29Å; I110-L114 WeakPolarHBondContact O-CG 3.41Å; I110-L114 PolarHBondContact O-N 3.42Å; Y111-L114 PolarHBondContact O-N 3.41Å; K112-L114 PolarHBondContact O-N 2.95Å; L114-R118 WeakPolarHBondContact O-CB 3.32Å; L114-R118 PolarHBondContact O-N 2.94Å |
| 115 | H | 97.3 | Very high | 96.6 | Very high | 72 Ų | 72 | 100.3 Ų | 100.3 | 33% | 0.333 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.7 | -46.3 | 176.9 | -167.4 | 88 | 0 | 0 | 0 | 111.7 | Y111 K112 T113 R118 K119 | Y111-H115 WeakPolarHBondContact O-CB 3.37Å; Y111-H115 PolarHBondContact O-N 3.39Å; K112-H115 WeakPolarHBondContact O-CB 3.45Å; K112-H115 PolarHBondContact O-N 3.39Å; T113-H115 VanDerWaalsContact C-N 3.33Å; T113-H115 PolarHBondContact O-N 3Å; H115-R118 PolarHBondContact O-N 3.43Å; H115-K119 WeakPolarHBondContact O-CG 3.49Å; H115-K119 PolarHBondContact O-N 3.39Å |
| 116 | I | 97.6 | Very high | 96.8 | Very high | 116 Ų | 116 | 100.9 Ų | 100.9 | 60% | 0.595 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.7 | -48.9 | 175.9 | -67.2 | 165 | 0 | 0 | 0 | 110.3 | K112 T113 R118 K119 W120 | K112-I116 WeakPolarHBondContact O-CG1 3.32Å; K112-I116 PolarHBondContact O-N 3.31Å; T113-I116 PolarHBondContact O-N 2.95Å; I116-R118 VanDerWaalsContact C-N 3.31Å; I116-R118 PolarHBondContact O-N 3.4Å; I116-K119 PolarHBondContact O-N 3.3Å; I116-K119 VanDerWaalsContact O-N 3.14Å; I116-W120 PolarHBondContact O-N 2.87Å |
| 117 | K | 98.3 | Very high | 97.1 | Very high | 119 Ų | 119 | 102.6 Ų | 102.6 | 52% | 0.517 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.3 | -42.2 | 178.2 | -173.2 | 171.3 | -171.7 | -77.7 | 0 | 111.9 | T113 M121 | T113-K117 WeakPolarHBondContact O-CB 3.44Å; T113-K117 PolarHBondContact O-N 3.49Å; K117-M121 HydrophobicContact CG-CE 4.33Å; K117-M121 WeakPolarHBondContact O-CG 3.24Å; K117-M121 PolarHBondContact O-N 2.98Å |
| 118 | R | 98.2 | Very high | 97.2 | Very high | 121 Ų | 121 | 103.3 Ų | 103.3 | 46% | 0.457 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61 | -48.5 | 175 | -175 | -173.6 | -59.8 | 139.5 | 4.2 | 111.4 | L114 H115 I116 W120 M121 E122 | L114-R118 WeakPolarHBondContact O-CB 3.32Å; L114-R118 PolarHBondContact O-N 2.94Å; H115-R118 PolarHBondContact O-N 3.43Å; I116-R118 VanDerWaalsContact C-N 3.31Å; I116-R118 PolarHBondContact O-N 3.4Å; R118-W120 VanDerWaalsContact C-N 3.34Å; R118-W120 PolarHBondContact O-N 3.13Å; R118-M121 PolarHBondContact O-N 3.04Å; R118-E122 HydrophobicContact CG-CG 4.4Å; R118-E122 WeakPolarHBondContact CG-OE1 3.35Å; R118-E122 WeakPolarHBondContact O-CB 3.35Å; R118-E122 WeakPolarHBondContact O-CG 3.37Å; R118-E122 PolarHBondContact O-N 3.03Å |
| 119 | K | 98.2 | Very high | 97.2 | Very high | 99 Ų | 99 | 106.8 Ų | 106.8 | 43% | 0.43 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.8 | -40.9 | 179.9 | -76.2 | -73.6 | 161.7 | -143.5 | 0 | 112.7 | H115 I116 E122 T123 | H115-K119 WeakPolarHBondContact O-CG 3.49Å; H115-K119 PolarHBondContact O-N 3.39Å; I116-K119 PolarHBondContact O-N 3.3Å; I116-K119 VanDerWaalsContact O-N 3.14Å; K119-E122 IonicContact NZ-OE2 2.77Å; K119-E122 PolarHBondContact NZ-OE2 3.25Å; K119-T123 WeakPolarHBondContact O-CB 3.5Å; K119-T123 PolarHBondContact O-N 3.42Å; K119-T123 VanDerWaalsContact O-N 3.07Å; K119-T123 PolarHBondContact O-OG1 2.91Å |
| 120 | W | 98 | Very high | 97.3 | Very high | 166 Ų | 166 | 108.4 Ų | 108.4 | 63% | 0.629 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.8 | -49.1 | 174.3 | 178 | 84.3 | 0 | 0 | 0 | 111.5 | I116 R118 E122 T123 Y124 | I116-W120 PolarHBondContact O-N 2.87Å; R118-W120 VanDerWaalsContact C-N 3.34Å; R118-W120 PolarHBondContact O-N 3.13Å; W120-E122 PolarHBondContact O-N 3.42Å; W120-T123 PolarHBondContact O-N 2.86Å; W120-Y124 WeakPolarHBondContact O-CB 3.46Å; W120-Y124 PolarHBondContact O-N 3.42Å |
| 121 | M | 98.3 | Very high | 97.3 | Very high | 79 Ų | 79 | 105.6 Ų | 105.6 | 39% | 0.389 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.1 | -44.3 | 177.9 | -70.5 | -174.7 | -54.3 | 0 | 0 | 112.5 | K117 R118 T123 Y124 V125 | K117-M121 HydrophobicContact CG-CE 4.33Å; K117-M121 WeakPolarHBondContact O-CG 3.24Å; K117-M121 PolarHBondContact O-N 2.98Å; R118-M121 PolarHBondContact O-N 3.04Å; M121-T123 VanDerWaalsContact C-N 3.29Å; M121-T123 PolarHBondContact O-N 3Å; M121-Y124 PolarHBondContact O-N 2.91Å; M121-V125 WeakPolarHBondContact O-CB 3.4Å; M121-V125 VanDerWaalsContact O-CG2 3.31Å; M121-V125 WeakPolarHBondContact O-CG2 3.47Å; M121-V125 PolarHBondContact O-N 3.5Å |
| 122 | E | 97.7 | Very high | 97.3 | Very high | 93 Ų | 93 | 102.5 Ų | 102.5 | 44% | 0.435 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -56.4 | -44.9 | 176.5 | -77.6 | 172.3 | -174.3 | 0 | 0 | 111.2 | R118 K119 W120 K126 | R118-E122 HydrophobicContact CG-CG 4.4Å; R118-E122 WeakPolarHBondContact CG-OE1 3.35Å; R118-E122 WeakPolarHBondContact O-CB 3.35Å; R118-E122 WeakPolarHBondContact O-CG 3.37Å; R118-E122 PolarHBondContact O-N 3.03Å; K119-E122 IonicContact NZ-OE2 2.77Å; K119-E122 PolarHBondContact NZ-OE2 3.25Å; W120-E122 PolarHBondContact O-N 3.42Å; E122-K126 VanDerWaalsContact O-CB 3.26Å; E122-K126 WeakPolarHBondContact O-CB 3.45Å; E122-K126 PolarHBondContact O-N 3.01Å |
| 123 | T | 97.3 | Very high | 97.2 | Very high | 80 Ų | 80 | 101.6 Ų | 101.6 | 49% | 0.491 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.7 | -46.9 | 179.6 | -54.9 | 0 | 0 | 0 | 0 | 111.2 | K119 W120 M121 V125 K126 E127 | K119-T123 WeakPolarHBondContact O-CB 3.5Å; K119-T123 PolarHBondContact O-N 3.42Å; K119-T123 VanDerWaalsContact O-N 3.07Å; K119-T123 PolarHBondContact O-OG1 2.91Å; W120-T123 PolarHBondContact O-N 2.86Å; M121-T123 VanDerWaalsContact C-N 3.29Å; M121-T123 PolarHBondContact O-N 3Å; T123-V125 PolarHBondContact O-N 3.44Å; T123-K126 PolarHBondContact O-N 3.37Å; T123-E127 HydrophobicContact CG2-CG 4.49Å; T123-E127 PolarHBondContact O-N 3.23Å |
| 124 | Y | 97.3 | Very high | 97.2 | Very high | 144 Ų | 144 | 102.3 Ų | 102.3 | 57% | 0.565 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -57.2 | -48.5 | 177.9 | 173.8 | -96.5 | 0 | 0 | 0 | 111.8 | W120 M121 K126 E127 S128 | W120-Y124 WeakPolarHBondContact O-CB 3.46Å; W120-Y124 PolarHBondContact O-N 3.42Å; M121-Y124 PolarHBondContact O-N 2.91Å; Y124-K126 VanDerWaalsContact C-N 3.34Å; Y124-K126 PolarHBondContact O-N 3.25Å; Y124-E127 PolarHBondContact O-N 3.41Å; Y124-S128 WeakPolarHBondContact O-CB 3.36Å; Y124-S128 PolarHBondContact O-N 3.5Å; Y124-S128 PolarHBondContact O-OG 2.92Å |
| 125 | V | 97.5 | Very high | 97.2 | Very high | 93 Ų | 93 | 105.1 Ų | 105.1 | 56% | 0.564 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.5 | -42.8 | 177.8 | 170.7 | 0 | 0 | 0 | 0 | 110.8 | M121 T123 S128 F129 | M121-V125 WeakPolarHBondContact O-CB 3.4Å; M121-V125 VanDerWaalsContact O-CG2 3.31Å; M121-V125 WeakPolarHBondContact O-CG2 3.47Å; M121-V125 PolarHBondContact O-N 3.5Å; T123-V125 PolarHBondContact O-N 3.44Å; V125-S128 PolarHBondContact O-N 3.47Å; V125-F129 VanDerWaalsContact O-CB 3.28Å; V125-F129 WeakPolarHBondContact O-CB 3.44Å; V125-F129 PolarHBondContact O-N 3.27Å |
| 126 | K | 97.2 | Very high | 97.2 | Very high | 149 Ų | 149 | 106.3 Ų | 106.3 | 65% | 0.648 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.2 | -48.1 | 179.7 | -176.2 | -177.9 | 178.1 | -173.9 | 0 | 112.4 | E122 T123 Y124 K130 | E122-K126 VanDerWaalsContact O-CB 3.26Å; E122-K126 WeakPolarHBondContact O-CB 3.45Å; E122-K126 PolarHBondContact O-N 3.01Å; T123-K126 PolarHBondContact O-N 3.37Å; Y124-K126 VanDerWaalsContact C-N 3.34Å; Y124-K126 PolarHBondContact O-N 3.25Å; K126-K130 WeakPolarHBondContact O-CB 3.29Å; K126-K130 PolarHBondContact O-N 2.9Å |
| 127 | E | 96.9 | Very high | 97.2 | Very high | 94 Ų | 94 | 105.1 Ų | 105.1 | 44% | 0.439 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.1 | -39.5 | 178.9 | -67.1 | -53.8 | 136.1 | 0 | 0 | 111.6 | T123 Y124 F129 K130 G131 | T123-E127 HydrophobicContact CG2-CG 4.49Å; T123-E127 PolarHBondContact O-N 3.23Å; Y124-E127 PolarHBondContact O-N 3.41Å; E127-F129 PolarHBondContact O-N 3.3Å; E127-K130 PolarHBondContact O-N 3.22Å; E127-K130 IonicContact OE2-NZ 2.88Å; E127-G131 PolarHBondContact O-N 3.01Å |
| 128 | S | 96.2 | Very high | 97.2 | Very high | 51 Ų | 51 | 106.5 Ų | 106.5 | 36% | 0.357 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.4 | -46.7 | 174.7 | -63.3 | 0 | 0 | 0 | 0 | 111.7 | Y124 V125 S132 | Y124-S128 WeakPolarHBondContact O-CB 3.36Å; Y124-S128 PolarHBondContact O-N 3.5Å; Y124-S128 PolarHBondContact O-OG 2.92Å; V125-S128 PolarHBondContact O-N 3.47Å; S128-S132 WeakPolarHBondContact O-CB 3.42Å; S128-S132 PolarHBondContact O-N 2.88Å |
| 129 | F | 95.5 | Very high | 97.1 | Very high | 145 Ų | 145 | 107.1 Ų | 107.1 | 64% | 0.636 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.3 | -44.1 | 178 | -174.7 | -97.7 | 0 | 0 | 0 | 111.6 | V125 E127 S132 N133 | V125-F129 VanDerWaalsContact O-CB 3.28Å; V125-F129 WeakPolarHBondContact O-CB 3.44Å; V125-F129 PolarHBondContact O-N 3.27Å; E127-F129 PolarHBondContact O-N 3.3Å; F129-S132 PolarHBondContact O-N 2.95Å; F129-N133 WeakPolarHBondContact O-CB 3.25Å; F129-N133 PolarHBondContact O-N 3.45Å |
| 130 | K | 96.7 | Very high | 97.1 | Very high | 129 Ų | 129 | 105.4 Ų | 105.4 | 56% | 0.561 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.7 | -49.5 | 178.1 | -179 | -176.4 | 171.1 | -164.2 | 0 | 112 | K126 E127 N133 Q134 | K126-K130 WeakPolarHBondContact O-CB 3.29Å; K126-K130 PolarHBondContact O-N 2.9Å; E127-K130 PolarHBondContact O-N 3.22Å; E127-K130 IonicContact OE2-NZ 2.88Å; K130-N133 PolarHBondContact O-N 3.4Å; K130-Q134 WeakPolarHBondContact O-CB 3.5Å; K130-Q134 PolarHBondContact O-N 2.91Å |
| 131 | G | 96.1 | Very high | 97.1 | Very high | 37 Ų | 37 | 102.7 Ų | 102.7 | 38% | 0.381 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.4 | -44.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E127 Q134 K135 | E127-G131 PolarHBondContact O-N 3.01Å; G131-Q134 PolarHBondContact O-N 3.42Å; G131-K135 PolarHBondContact O-N 3.2Å |
| 132 | S | 96.5 | Very high | 97.1 | Very high | 80 Ų | 80 | 101.6 Ų | 101.6 | 56% | 0.559 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.7 | -46.2 | 176.9 | -174.4 | 0 | 0 | 0 | 0 | 111.9 | S128 F129 Q134 K135 L136 | S128-S132 WeakPolarHBondContact O-CB 3.42Å; S128-S132 PolarHBondContact O-N 2.88Å; F129-S132 PolarHBondContact O-N 2.95Å; S132-Q134 PolarHBondContact O-N 3.34Å; S132-K135 WeakPolarHBondContact O-CB 3.46Å; S132-K135 PolarHBondContact O-N 2.88Å; S132-L136 PolarHBondContact O-N 3.45Å |
| 133 | N | 95.9 | Very high | 97.1 | Very high | 84 Ų | 84 | 100.4 Ų | 100.4 | 45% | 0.449 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.3 | -40.5 | 179.5 | -167.4 | 59.3 | 0 | 0 | 0 | 112.2 | F129 K130 K135 L136 E137 | F129-N133 WeakPolarHBondContact O-CB 3.25Å; F129-N133 PolarHBondContact O-N 3.45Å; K130-N133 PolarHBondContact O-N 3.4Å; N133-K135 VanDerWaalsContact C-N 3.33Å; N133-K135 PolarHBondContact O-N 3.42Å; N133-L136 PolarHBondContact O-N 2.77Å; N133-E137 WeakPolarHBondContact O-CB 3.33Å; N133-E137 PolarHBondContact O-N 2.75Å |
| 134 | Q | 97.5 | Very high | 97.2 | Very high | 105 Ų | 105 | 103.1 Ų | 103.1 | 49% | 0.491 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.7 | -36.7 | 174.8 | -170.2 | -173.7 | 19 | 0 | 0 | 112.2 | K130 G131 S132 R138 | K130-Q134 WeakPolarHBondContact O-CB 3.5Å; K130-Q134 PolarHBondContact O-N 2.91Å; G131-Q134 PolarHBondContact O-N 3.42Å; S132-Q134 PolarHBondContact O-N 3.34Å; Q134-R138 WeakPolarHBondContact O-CG 3.22Å; Q134-R138 PolarHBondContact O-N 2.91Å; Q134-R138 VanDerWaalsContact O-N 3.13Å; Q134-R138 PolarHBondContact O-NE 2.89Å |
| 135 | K | 97.3 | Very high | 97.2 | Very high | 151 Ų | 151 | 103.7 Ų | 103.7 | 66% | 0.657 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.5 | -45.8 | 174.5 | -174.7 | 176.9 | -179.7 | 177.6 | 0 | 110.9 | G131 S132 N133 R138 F139 | G131-K135 PolarHBondContact O-N 3.2Å; S132-K135 WeakPolarHBondContact O-CB 3.46Å; S132-K135 PolarHBondContact O-N 2.88Å; N133-K135 VanDerWaalsContact C-N 3.33Å; N133-K135 PolarHBondContact O-N 3.42Å; K135-R138 PolarHBondContact O-N 3.42Å; K135-F139 WeakPolarHBondContact O-CB 3.32Å; K135-F139 PolarHBondContact O-N 3.28Å |
| 136 | L | 97.3 | Very high | 97.3 | Very high | 97 Ų | 97 | 104.5 Ų | 104.5 | 51% | 0.508 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.2 | -46.4 | 177.1 | -178.6 | 61.2 | 0 | 0 | 0 | 111.5 | S132 N133 R138 F139 C140 | S132-L136 PolarHBondContact O-N 3.45Å; N133-L136 PolarHBondContact O-N 2.77Å; L136-R138 PolarHBondContact O-N 3.49Å; L136-F139 WeakPolarHBondContact O-CB 3.47Å; L136-F139 PolarHBondContact O-N 3.49Å; L136-C140 WeakPolarHBondContact O-CB 3.48Å; L136-C140 PolarHBondContact O-N 3.26Å; L136-C140 PolarHBondContact O-SG 2.95Å |
| 137 | E | 96.5 | Very high | 97.3 | Very high | 91 Ų | 91 | 103.3 Ų | 103.3 | 43% | 0.425 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.7 | -45.2 | 178.3 | -173.8 | -174.3 | 179.9 | 0 | 0 | 111.9 | N133 C140 K141 | N133-E137 WeakPolarHBondContact O-CB 3.33Å; N133-E137 PolarHBondContact O-N 2.75Å; E137-C140 PolarHBondContact O-N 2.93Å; E137-K141 HydrophobicContact CG-CD 4.29Å; E137-K141 WeakPolarHBondContact O-CB 3.15Å; E137-K141 WeakPolarHBondContact O-CG 3.38Å; E137-K141 PolarHBondContact O-N 3Å; E137-K141 WeakPolarHBondContact OE1-CE 3.34Å; E137-K141 IonicContact OE1-NZ 3.2Å; E137-K141 PolarHBondContact OE1-NZ 2.68Å |
| 138 | R | 98.3 | Very high | 97.4 | Very high | 148 Ų | 148 | 105.3 Ų | 105.3 | 56% | 0.558 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.6 | -46 | 175.5 | -76.3 | -174.2 | -72.9 | -176.7 | -2.2 | 111.6 | Q134 K135 L136 K141 T142 | Q134-R138 WeakPolarHBondContact O-CG 3.22Å; Q134-R138 PolarHBondContact O-N 2.91Å; Q134-R138 VanDerWaalsContact O-N 3.13Å; Q134-R138 PolarHBondContact O-NE 2.89Å; K135-R138 PolarHBondContact O-N 3.42Å; L136-R138 PolarHBondContact O-N 3.49Å; R138-K141 PolarHBondContact O-N 3.44Å; R138-T142 WeakPolarHBondContact O-CB 3.47Å; R138-T142 PolarHBondContact O-N 3.27Å; R138-T142 PolarHBondContact O-OG1 3.37Å |
| 139 | F | 97.7 | Very high | 97.5 | Very high | 134 Ų | 134 | 106.8 Ų | 106.8 | 59% | 0.588 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59.9 | -49.3 | 177.6 | 175.6 | -98.7 | 0 | 0 | 0 | 111.6 | K135 L136 K141 T142 N143 | K135-F139 WeakPolarHBondContact O-CB 3.32Å; K135-F139 PolarHBondContact O-N 3.28Å; L136-F139 WeakPolarHBondContact O-CB 3.47Å; L136-F139 PolarHBondContact O-N 3.49Å; F139-K141 PolarHBondContact O-N 2.75Å; F139-T142 PolarHBondContact O-N 3.33Å; F139-N143 WeakPolarHBondContact O-CB 3.34Å; F139-N143 PolarHBondContact O-N 3.49Å |
| 140 | C | 98.1 | Very high | 97.6 | Very high | 63 Ų | 63 | 105.4 Ų | 105.4 | 43% | 0.426 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.6 | -46.6 | 178.3 | -70.6 | 0 | 0 | 0 | 0 | 112 | L136 E137 T142 N143 E144 | L136-C140 WeakPolarHBondContact O-CB 3.48Å; L136-C140 PolarHBondContact O-N 3.26Å; L136-C140 PolarHBondContact O-SG 2.95Å; E137-C140 PolarHBondContact O-N 2.93Å; C140-T142 PolarHBondContact O-N 2.86Å; C140-N143 PolarHBondContact O-N 3.23Å; C140-E144 WeakPolarHBondContact O-CB 3.32Å; C140-E144 PolarHBondContact O-N 3.36Å |
| 141 | K | 98.2 | Very high | 97.7 | Very high | 110 Ų | 110 | 103.6 Ų | 103.6 | 48% | 0.478 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.8 | -41 | 178.1 | -73.8 | 178.1 | -176.8 | 173.7 | 0 | 112.6 | E137 R138 F139 R145 | E137-K141 HydrophobicContact CG-CD 4.29Å; E137-K141 WeakPolarHBondContact O-CB 3.15Å; E137-K141 WeakPolarHBondContact O-CG 3.38Å; E137-K141 PolarHBondContact O-N 3Å; E137-K141 WeakPolarHBondContact OE1-CE 3.34Å; E137-K141 IonicContact OE1-NZ 3.2Å; E137-K141 PolarHBondContact OE1-NZ 2.68Å; R138-K141 PolarHBondContact O-N 3.44Å; F139-K141 PolarHBondContact O-N 2.75Å; K141-R145 WeakPolarHBondContact O-CB 3.44Å; K141-R145 PolarHBondContact O-N 2.8Å; K141-R145 VanDerWaalsContact O-N 3.11Å |
| 142 | T | 98.1 | Very high | 97.8 | Very high | 56 Ų | 56 | 105.3 Ų | 105.3 | 34% | 0.344 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.2 | -48.3 | 177 | -67.3 | 0 | 0 | 0 | 0 | 110.9 | R138 F139 C140 E144 R145 E146 | R138-T142 WeakPolarHBondContact O-CB 3.47Å; R138-T142 PolarHBondContact O-N 3.27Å; R138-T142 PolarHBondContact O-OG1 3.37Å; F139-T142 PolarHBondContact O-N 3.33Å; C140-T142 PolarHBondContact O-N 2.86Å; T142-E144 VanDerWaalsContact C-N 3.35Å; T142-E144 PolarHBondContact O-N 3.05Å; T142-R145 WeakPolarHBondContact O-CB 3.24Å; T142-R145 PolarHBondContact O-N 3.28Å; T142-R145 VanDerWaalsContact O-N 3.15Å; T142-E146 WeakPolarHBondContact O-CG 3.34Å; T142-E146 PolarHBondContact O-N 3.01Å |
| 143 | N | 97.9 | Very high | 97.9 | Very high | 67 Ų | 67 | 106.9 Ų | 106.9 | 36% | 0.358 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59 | -43.9 | 177.4 | -178.9 | 42.3 | 0 | 0 | 0 | 112 | F139 C140 R145 E146 R147 | F139-N143 WeakPolarHBondContact O-CB 3.34Å; F139-N143 PolarHBondContact O-N 3.49Å; C140-N143 PolarHBondContact O-N 3.23Å; N143-R145 VanDerWaalsContact C-N 3.34Å; N143-R145 PolarHBondContact O-N 2.86Å; N143-E146 PolarHBondContact O-N 3.12Å; N143-R147 WeakPolarHBondContact O-CB 3.33Å; N143-R147 VanDerWaalsContact O-CG 3.25Å; N143-R147 WeakPolarHBondContact O-CG 3.48Å; N143-R147 PolarHBondContact O-N 2.96Å |
| 144 | E | 98.2 | Very high | 97.9 | Very high | 137 Ų | 137 | 107.9 Ų | 107.9 | 64% | 0.64 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -59.7 | -44.5 | 175.8 | -173.3 | -174.7 | 167.7 | 0 | 0 | 111.8 | C140 T142 R147 K148 | C140-E144 WeakPolarHBondContact O-CB 3.32Å; C140-E144 PolarHBondContact O-N 3.36Å; T142-E144 VanDerWaalsContact C-N 3.35Å; T142-E144 PolarHBondContact O-N 3.05Å; E144-R147 PolarHBondContact O-N 3.21Å; E144-K148 WeakPolarHBondContact O-CB 3.44Å; E144-K148 PolarHBondContact O-N 3.49Å |
| 145 | R | 98.4 | Very high | 97.9 | Very high | 157 Ų | 157 | 105.3 Ų | 105.3 | 59% | 0.592 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.4 | -44.8 | 178.1 | -169.9 | -170.8 | -56 | 115.6 | 3.1 | 111.8 | K141 T142 N143 K148 N149 | K141-R145 WeakPolarHBondContact O-CB 3.44Å; K141-R145 PolarHBondContact O-N 2.8Å; K141-R145 VanDerWaalsContact O-N 3.11Å; T142-R145 WeakPolarHBondContact O-CB 3.24Å; T142-R145 PolarHBondContact O-N 3.28Å; T142-R145 VanDerWaalsContact O-N 3.15Å; N143-R145 VanDerWaalsContact C-N 3.34Å; N143-R145 PolarHBondContact O-N 2.86Å; R145-K148 PolarHBondContact O-N 3.28Å; R145-N149 WeakPolarHBondContact O-CB 3.44Å; R145-N149 PolarHBondContact O-N 3.18Å |
| 146 | E | 98.4 | Very high | 98 | Very high | 109 Ų | 109 | 103.9 Ų | 103.9 | 51% | 0.509 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.4 | -47.1 | 178.7 | -73.8 | 176.5 | 179.3 | 0 | 0 | 111.5 | T142 N143 K148 N149 I150 | T142-E146 WeakPolarHBondContact O-CG 3.34Å; T142-E146 PolarHBondContact O-N 3.01Å; N143-E146 PolarHBondContact O-N 3.12Å; E146-K148 VanDerWaalsContact C-N 3.32Å; E146-K148 PolarHBondContact O-N 2.77Å; E146-N149 WeakPolarHBondContact O-CB 3.35Å; E146-N149 PolarHBondContact O-N 3.05Å; E146-I150 WeakPolarHBondContact O-CG1 3.37Å; E146-I150 PolarHBondContact O-N 3.41Å |
| 147 | R | 98.4 | Very high | 98 | Very high | 125 Ų | 125 | 105.3 Ų | 105.3 | 47% | 0.472 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.3 | -43.5 | 175.7 | -70.8 | 178.9 | 66.2 | 98.7 | 29.7 | 111.9 | N143 E144 I150 N151 | N143-R147 WeakPolarHBondContact O-CB 3.33Å; N143-R147 VanDerWaalsContact O-CG 3.25Å; N143-R147 WeakPolarHBondContact O-CG 3.48Å; N143-R147 PolarHBondContact O-N 2.96Å; E144-R147 PolarHBondContact O-N 3.21Å; R147-I150 PolarHBondContact O-N 3.25Å; R147-N151 WeakPolarHBondContact O-CB 3.45Å; R147-N151 PolarHBondContact O-N 2.67Å |
| 148 | K | 98.4 | Very high | 98.1 | Very high | 136 Ų | 136 | 106.7 Ų | 106.7 | 59% | 0.591 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.9 | -43.1 | 176 | -175.3 | 176 | -179.2 | 176.7 | 0 | 111.7 | E144 R145 E146 N151 N152 | E144-K148 WeakPolarHBondContact O-CB 3.44Å; E144-K148 PolarHBondContact O-N 3.49Å; R145-K148 PolarHBondContact O-N 3.28Å; E146-K148 VanDerWaalsContact C-N 3.32Å; E146-K148 PolarHBondContact O-N 2.77Å; K148-N151 PolarHBondContact O-N 2.89Å; K148-N152 WeakPolarHBondContact O-CB 3.39Å; K148-N152 PolarHBondContact O-N 2.89Å; K148-N152 PolarHBondContact O-OD1 3.47Å |
| 149 | N | 98.3 | Very high | 98.1 | Very high | 81 Ų | 81 | 104.1 Ų | 104.1 | 43% | 0.433 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62 | -46.3 | 177.7 | -178.3 | 50.6 | 0 | 0 | 0 | 112 | R145 E146 N152 K153 | R145-N149 WeakPolarHBondContact O-CB 3.44Å; R145-N149 PolarHBondContact O-N 3.18Å; E146-N149 WeakPolarHBondContact O-CB 3.35Å; E146-N149 PolarHBondContact O-N 3.05Å; N149-N152 PolarHBondContact O-N 3.34Å; N149-K153 WeakPolarHBondContact O-CG 3.43Å; N149-K153 PolarHBondContact O-N 2.92Å |
| 150 | I | 97.9 | Very high | 98.1 | Very high | 116 Ų | 116 | 101.9 Ų | 101.9 | 60% | 0.595 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.5 | -47.6 | 176.6 | -67.2 | 165.8 | 0 | 0 | 0 | 110.5 | E146 R147 N152 K153 F154 | E146-I150 WeakPolarHBondContact O-CG1 3.37Å; E146-I150 PolarHBondContact O-N 3.41Å; R147-I150 PolarHBondContact O-N 3.25Å; I150-N152 PolarHBondContact O-N 3.44Å; I150-K153 PolarHBondContact O-N 2.89Å; I150-F154 PolarHBondContact O-N 2.93Å |
| 151 | N | 98 | Very high | 98.1 | Very high | 92 Ų | 92 | 103.3 Ų | 103.3 | 49% | 0.492 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60 | -44.8 | 178.6 | -176.3 | 79.6 | 0 | 0 | 0 | 111.9 | R147 K148 F154 C155 | R147-N151 WeakPolarHBondContact O-CB 3.45Å; R147-N151 PolarHBondContact O-N 2.67Å; K148-N151 PolarHBondContact O-N 2.89Å; N151-F154 PolarHBondContact O-N 2.71Å; N151-C155 WeakPolarHBondContact O-CB 3.25Å; N151-C155 PolarHBondContact O-N 2.82Å; N151-C155 PolarHBondContact O-SG 2.83Å |
| 152 | N | 98.3 | Very high | 98.1 | Very high | 73 Ų | 73 | 104.8 Ų | 104.8 | 39% | 0.39 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.8 | -47.3 | 178.2 | -73.7 | -1 | 0 | 0 | 0 | 111.7 | K148 N149 I150 F154 C155 E156 | K148-N152 WeakPolarHBondContact O-CB 3.39Å; K148-N152 PolarHBondContact O-N 2.89Å; K148-N152 PolarHBondContact O-OD1 3.47Å; N149-N152 PolarHBondContact O-N 3.34Å; I150-N152 PolarHBondContact O-N 3.44Å; N152-F154 VanDerWaalsContact C-N 3.29Å; N152-F154 PolarHBondContact O-N 3.41Å; N152-C155 PolarHBondContact O-N 2.95Å; N152-E156 WeakPolarHBondContact O-CB 3.43Å; N152-E156 WeakPolarHBondContact O-CG 3.22Å; N152-E156 PolarHBondContact O-N 2.93Å |
| 153 | K | 98.2 | Very high | 98.1 | Very high | 112 Ų | 112 | 108.2 Ų | 108.2 | 49% | 0.487 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.2 | -42.4 | 176.7 | -73 | 178 | 179 | -173.1 | 0 | 111.9 | N149 I150 E156 Q157 | N149-K153 WeakPolarHBondContact O-CG 3.43Å; N149-K153 PolarHBondContact O-N 2.92Å; I150-K153 PolarHBondContact O-N 2.89Å; K153-E156 PolarHBondContact O-N 3.3Å; K153-Q157 WeakPolarHBondContact O-CG 3.48Å; K153-Q157 PolarHBondContact O-N 3.35Å |
| 154 | F | 97.1 | Very high | 98.2 | Very high | 106 Ų | 106 | 111.2 Ų | 111.2 | 47% | 0.465 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.1 | -48 | 177 | -169.9 | -100.3 | 0 | 0 | 0 | 111.3 | I150 N151 N152 E156 Q157 Y158 | I150-F154 PolarHBondContact O-N 2.93Å; N151-F154 PolarHBondContact O-N 2.71Å; N152-F154 VanDerWaalsContact C-N 3.29Å; N152-F154 PolarHBondContact O-N 3.41Å; F154-E156 VanDerWaalsContact C-N 3.32Å; F154-E156 PolarHBondContact O-N 3Å; F154-Q157 PolarHBondContact O-N 3.39Å; F154-Y158 AromaticContact CD1-CD2 3.75Å; F154-Y158 HydrophobicContact CD1-CD2 3.75Å; F154-Y158 AromaticContact CD1-CE2 3.75Å; F154-Y158 HydrophobicContact CD1-CE2 3.75Å; F154-Y158 HydrophobicContact CD2-CD2 4.38Å; F154-Y158 HydrophobicContact CD2-CE2 4.04Å; F154-Y158 AromaticContact CE1-CD2 3.59Å; F154-Y158 HydrophobicContact CE1-CD2 3.59Å; F154-Y158 AromaticContact CE1-CE2 3.13Å; F154-Y158 HydrophobicContact CE1-CE2 3.13Å; F154-Y158 AromaticContact CE1-CZ 3.76Å; F154-Y158 HydrophobicContact CE2-CD2 4.25Å; F154-Y158 AromaticContact CE2-CE2 3.48Å; F154-Y158 HydrophobicContact CE2-CE2 3.48Å; F154-Y158 VanDerWaalsContact CE2-CE2 3.48Å; F154-Y158 HydrophobicContact CG-CD2 4.18Å; F154-Y158 HydrophobicContact CG-CE2 4.19Å; F154-Y158 AromaticContact CZ-CD2 3.9Å; F154-Y158 HydrophobicContact CZ-CD2 3.9Å; F154-Y158 AromaticContact CZ-CE2 3.01Å; F154-Y158 HydrophobicContact CZ-CE2 3.01Å; F154-Y158 AromaticContact CZ-CZ 3.58Å; F154-Y158 WeakPolarHBondContact CZ-OH 3.49Å; F154-Y158 WeakPolarHBondContact O-CD2 3.36Å; F154-Y158 PolarHBondContact O-N 2.92Å |
| 155 | C | 98 | Very high | 98.2 | Very high | 51 Ų | 51 | 107.7 Ų | 107.7 | 35% | 0.345 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -57.5 | -44.1 | 175.7 | -70.1 | 0 | 0 | 0 | 0 | 112.1 | N151 N152 Q157 Y158 I159 | N151-C155 WeakPolarHBondContact O-CB 3.25Å; N151-C155 PolarHBondContact O-N 2.82Å; N151-C155 PolarHBondContact O-SG 2.83Å; N152-C155 PolarHBondContact O-N 2.95Å; C155-Q157 PolarHBondContact O-N 3.15Å; C155-Y158 PolarHBondContact O-N 2.76Å; C155-I159 WeakPolarHBondContact O-CB 3.45Å; C155-I159 WeakPolarHBondContact O-CD1 3.34Å; C155-I159 VanDerWaalsContact O-CG1 3.22Å; C155-I159 WeakPolarHBondContact O-CG1 3.48Å; C155-I159 PolarHBondContact O-N 3.46Å |
| 156 | E | 98.2 | Very high | 98.2 | Very high | 121 Ų | 121 | 104.6 Ų | 104.6 | 57% | 0.565 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.4 | -44 | 176.9 | -75.8 | 171.8 | -174.5 | 0 | 0 | 112.2 | N152 K153 F154 Y158 I159 T160 | N152-E156 WeakPolarHBondContact O-CB 3.43Å; N152-E156 WeakPolarHBondContact O-CG 3.22Å; N152-E156 PolarHBondContact O-N 2.93Å; K153-E156 PolarHBondContact O-N 3.3Å; F154-E156 VanDerWaalsContact C-N 3.32Å; F154-E156 PolarHBondContact O-N 3Å; E156-Y158 PolarHBondContact O-N 3.46Å; E156-I159 PolarHBondContact O-N 2.94Å; E156-T160 WeakPolarHBondContact O-CB 3.38Å; E156-T160 PolarHBondContact O-N 2.99Å; E156-T160 PolarHBondContact O-OG1 3.42Å |
| 157 | Q | 98.2 | Very high | 98.2 | Very high | 127 Ų | 127 | 103.5 Ų | 103.5 | 59% | 0.593 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.9 | -44.1 | 175.5 | -74.7 | 178 | -4.3 | 0 | 0 | 111.9 | K153 F154 C155 T161 | K153-Q157 WeakPolarHBondContact O-CG 3.48Å; K153-Q157 PolarHBondContact O-N 3.35Å; F154-Q157 PolarHBondContact O-N 3.39Å; C155-Q157 PolarHBondContact O-N 3.15Å; Q157-T161 VanDerWaalsContact O-CB 3.32Å; Q157-T161 WeakPolarHBondContact O-CB 3.35Å; Q157-T161 PolarHBondContact O-N 2.96Å; Q157-T161 PolarHBondContact O-OG1 3.44Å |
| 158 | Y | 97.6 | Very high | 98.2 | Very high | 119 Ų | 119 | 101 Ų | 101 | 47% | 0.467 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.6 | -49.7 | 177.1 | -92.8 | -98.2 | 0 | 0 | 0 | 111.8 | F154 C155 E156 T160 T161 F162 | F154-Y158 AromaticContact CD1-CD2 3.75Å; F154-Y158 HydrophobicContact CD1-CD2 3.75Å; F154-Y158 AromaticContact CD1-CE2 3.75Å; F154-Y158 HydrophobicContact CD1-CE2 3.75Å; F154-Y158 HydrophobicContact CD2-CD2 4.38Å; F154-Y158 HydrophobicContact CD2-CE2 4.04Å; F154-Y158 AromaticContact CE1-CD2 3.59Å; F154-Y158 HydrophobicContact CE1-CD2 3.59Å; F154-Y158 AromaticContact CE1-CE2 3.13Å; F154-Y158 HydrophobicContact CE1-CE2 3.13Å; F154-Y158 AromaticContact CE1-CZ 3.76Å; F154-Y158 HydrophobicContact CE2-CD2 4.25Å; F154-Y158 AromaticContact CE2-CE2 3.48Å; F154-Y158 HydrophobicContact CE2-CE2 3.48Å; F154-Y158 VanDerWaalsContact CE2-CE2 3.48Å; F154-Y158 HydrophobicContact CG-CD2 4.18Å; F154-Y158 HydrophobicContact CG-CE2 4.19Å; F154-Y158 AromaticContact CZ-CD2 3.9Å; F154-Y158 HydrophobicContact CZ-CD2 3.9Å; F154-Y158 AromaticContact CZ-CE2 3.01Å; F154-Y158 HydrophobicContact CZ-CE2 3.01Å; F154-Y158 AromaticContact CZ-CZ 3.58Å; F154-Y158 WeakPolarHBondContact CZ-OH 3.49Å; F154-Y158 WeakPolarHBondContact O-CD2 3.36Å; F154-Y158 PolarHBondContact O-N 2.92Å; C155-Y158 PolarHBondContact O-N 2.76Å; E156-Y158 PolarHBondContact O-N 3.46Å; Y158-T160 VanDerWaalsContact C-N 3.33Å; Y158-T160 PolarHBondContact O-N 3.01Å; Y158-T161 PolarHBondContact O-N 2.77Å; Y158-F162 HydrophobicContact CD1-CD2 4.35Å; Y158-F162 AromaticContact CD1-CE2 3.81Å; Y158-F162 HydrophobicContact CD1-CE2 3.81Å; Y158-F162 HydrophobicContact CE1-CE2 4.5Å; Y158-F162 WeakPolarHBondContact O-CB 3.49Å; Y158-F162 VanDerWaalsContact O-CD2 3.25Å; Y158-F162 WeakPolarHBondContact O-CD2 3.46Å; Y158-F162 PolarHBondContact O-N 2.62Å |
| 159 | I | 98 | Very high | 98.2 | Very high | 95 Ų | 95 | 98.1 Ų | 98.1 | 49% | 0.487 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -57.9 | -48.8 | 179.4 | -69.8 | 163.7 | 0 | 0 | 0 | 110.1 | C155 E156 T161 F162 Q163 | C155-I159 WeakPolarHBondContact O-CB 3.45Å; C155-I159 WeakPolarHBondContact O-CD1 3.34Å; C155-I159 VanDerWaalsContact O-CG1 3.22Å; C155-I159 WeakPolarHBondContact O-CG1 3.48Å; C155-I159 PolarHBondContact O-N 3.46Å; E156-I159 PolarHBondContact O-N 2.94Å; I159-T161 VanDerWaalsContact C-N 3.34Å; I159-T161 PolarHBondContact O-N 3.4Å; I159-F162 PolarHBondContact O-N 2.95Å; I159-Q163 HydrophobicContact CG2-CG 4.39Å; I159-Q163 WeakPolarHBondContact O-CB 3.48Å; I159-Q163 VanDerWaalsContact O-CG 3.29Å; I159-Q163 WeakPolarHBondContact O-CG 3.46Å; I159-Q163 PolarHBondContact O-N 3.47Å |
| 160 | T | 98.4 | Very high | 98.2 | Very high | 86 Ų | 86 | 99.1 Ų | 99.1 | 53% | 0.528 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.3 | -43.5 | -179.8 | -56.1 | 0 | 0 | 0 | 0 | 111.6 | E156 Y158 K164 | E156-T160 WeakPolarHBondContact O-CB 3.38Å; E156-T160 PolarHBondContact O-N 2.99Å; E156-T160 PolarHBondContact O-OG1 3.42Å; Y158-T160 VanDerWaalsContact C-N 3.33Å; Y158-T160 PolarHBondContact O-N 3.01Å; T160-K164 WeakPolarHBondContact O-CB 3.44Å; T160-K164 PolarHBondContact O-N 3.4Å |
| 161 | T | 98.3 | Very high | 98.3 | Very high | 94 Ų | 94 | 98.9 Ų | 98.9 | 58% | 0.577 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.4 | -43.7 | 179.7 | -58.2 | 0 | 0 | 0 | 0 | 111.4 | Q157 Y158 I159 K164 S165 | Q157-T161 VanDerWaalsContact O-CB 3.32Å; Q157-T161 WeakPolarHBondContact O-CB 3.35Å; Q157-T161 PolarHBondContact O-N 2.96Å; Q157-T161 PolarHBondContact O-OG1 3.44Å; Y158-T161 PolarHBondContact O-N 2.77Å; I159-T161 VanDerWaalsContact C-N 3.34Å; I159-T161 PolarHBondContact O-N 3.4Å; T161-K164 PolarHBondContact O-N 3.4Å; T161-S165 WeakPolarHBondContact O-CB 3.48Å; T161-S165 PolarHBondContact O-N 2.99Å |
| 162 | F | 98.3 | Very high | 98.3 | Very high | 141 Ų | 141 | 100.7 Ų | 100.7 | 62% | 0.618 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -67.4 | -41.5 | 178 | -84.5 | -63.7 | 0 | 0 | 0 | 112.7 | Y158 I159 K164 S165 D166 | Y158-F162 HydrophobicContact CD1-CD2 4.35Å; Y158-F162 AromaticContact CD1-CE2 3.81Å; Y158-F162 HydrophobicContact CD1-CE2 3.81Å; Y158-F162 HydrophobicContact CE1-CE2 4.5Å; Y158-F162 WeakPolarHBondContact O-CB 3.49Å; Y158-F162 VanDerWaalsContact O-CD2 3.25Å; Y158-F162 WeakPolarHBondContact O-CD2 3.46Å; Y158-F162 PolarHBondContact O-N 2.62Å; I159-F162 PolarHBondContact O-N 2.95Å; F162-K164 VanDerWaalsContact C-N 3.31Å; F162-K164 PolarHBondContact O-N 2.88Å; F162-S165 PolarHBondContact O-N 2.99Å; F162-D166 WeakPolarHBondContact O-CB 3.34Å; F162-D166 PolarHBondContact O-N 3.27Å |
| 163 | Q | 98.6 | Very high | 98.3 | Very high | 128 Ų | 128 | 100.7 Ų | 100.7 | 60% | 0.598 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.2 | -41.4 | 175.1 | -75.2 | 176.2 | -19.2 | 0 | 0 | 111.8 | I159 D166 M167 | I159-Q163 HydrophobicContact CG2-CG 4.39Å; I159-Q163 WeakPolarHBondContact O-CB 3.48Å; I159-Q163 VanDerWaalsContact O-CG 3.29Å; I159-Q163 WeakPolarHBondContact O-CG 3.46Å; I159-Q163 PolarHBondContact O-N 3.47Å; Q163-D166 PolarHBondContact O-N 3.11Å; Q163-M167 WeakPolarHBondContact O-CB 3.21Å; Q163-M167 PolarHBondContact O-N 2.89Å |
| 164 | K | 98.5 | Very high | 98.3 | Very high | 130 Ų | 130 | 100.5 Ų | 100.5 | 57% | 0.565 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63 | -46.8 | 174.8 | -176 | -178.2 | 175.6 | -173.2 | 0 | 111.5 | T160 T161 F162 D166 M167 D168 | T160-K164 WeakPolarHBondContact O-CB 3.44Å; T160-K164 PolarHBondContact O-N 3.4Å; T161-K164 PolarHBondContact O-N 3.4Å; F162-K164 VanDerWaalsContact C-N 3.31Å; F162-K164 PolarHBondContact O-N 2.88Å; K164-D166 PolarHBondContact O-N 3.43Å; K164-M167 HydrophobicContact CG-CE 4.44Å; K164-M167 PolarHBondContact O-N 2.84Å; K164-D168 VanDerWaalsContact O-CG 3.27Å; K164-D168 PolarHBondContact O-N 3.19Å |
| 165 | S | 98.7 | Very high | 98.4 | Very high | 63 Ų | 63 | 101.7 Ų | 101.7 | 44% | 0.441 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.1 | -45.5 | 177.9 | -173 | 0 | 0 | 0 | 0 | 111.9 | T161 F162 M167 D168 V169 | T161-S165 WeakPolarHBondContact O-CB 3.48Å; T161-S165 PolarHBondContact O-N 2.99Å; F162-S165 PolarHBondContact O-N 2.99Å; S165-M167 PolarHBondContact O-N 3.09Å; S165-D168 PolarHBondContact O-N 3.43Å; S165-V169 WeakPolarHBondContact O-CG2 3.28Å; S165-V169 PolarHBondContact O-N 3.36Å |
| 166 | D | 98.5 | Very high | 98.4 | Very high | 92 Ų | 92 | 104.1 Ų | 104.1 | 49% | 0.492 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.5 | -44.3 | 177.5 | -171.1 | 65.8 | 0 | 0 | 0 | 111.8 | F162 Q163 K164 D168 V169 Q170 | F162-D166 WeakPolarHBondContact O-CB 3.34Å; F162-D166 PolarHBondContact O-N 3.27Å; Q163-D166 PolarHBondContact O-N 3.11Å; K164-D166 PolarHBondContact O-N 3.43Å; D166-D168 VanDerWaalsContact C-N 3.33Å; D166-D168 PolarHBondContact O-N 3.42Å; D166-V169 PolarHBondContact O-N 3.43Å; D166-Q170 WeakPolarHBondContact O-CG 3.26Å; D166-Q170 PolarHBondContact O-N 2.89Å; D166-Q170 PolarHBondContact OD2-NE2 2.95Å |
| 167 | M | 98.5 | Very high | 98.4 | Very high | 86 Ų | 86 | 104.1 Ų | 104.1 | 42% | 0.424 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.2 | -41.5 | 174.5 | 178.6 | -178.4 | 52.3 | 0 | 0 | 112.1 | Q163 K164 S165 Q170 K171 | Q163-M167 WeakPolarHBondContact O-CB 3.21Å; Q163-M167 PolarHBondContact O-N 2.89Å; K164-M167 HydrophobicContact CG-CE 4.44Å; K164-M167 PolarHBondContact O-N 2.84Å; S165-M167 PolarHBondContact O-N 3.09Å; M167-Q170 PolarHBondContact O-N 3.07Å; M167-K171 HydrophobicContact CG-CD 4.4Å; M167-K171 WeakPolarHBondContact O-CG 3.21Å; M167-K171 PolarHBondContact O-N 3.44Å |
| 168 | D | 98.6 | Very high | 98.4 | Very high | 73 Ų | 73 | 104.8 Ų | 104.8 | 39% | 0.39 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.6 | -37.7 | 178.6 | -69.4 | -19.8 | 0 | 0 | 0 | 111.2 | K164 S165 D166 K171 F172 | K164-D168 VanDerWaalsContact O-CG 3.27Å; K164-D168 PolarHBondContact O-N 3.19Å; S165-D168 PolarHBondContact O-N 3.43Å; D166-D168 VanDerWaalsContact C-N 3.33Å; D166-D168 PolarHBondContact O-N 3.42Å; D168-K171 PolarHBondContact O-N 3.13Å; D168-F172 WeakPolarHBondContact O-CB 3.2Å; D168-F172 PolarHBondContact O-N 3.02Å |
| 169 | V | 98.7 | Very high | 98.4 | Very high | 74 Ų | 74 | 102.5 Ų | 102.5 | 45% | 0.448 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.7 | -42.5 | 172.7 | 169.3 | 0 | 0 | 0 | 0 | 111.6 | S165 D166 F172 N173 | S165-V169 WeakPolarHBondContact O-CG2 3.28Å; S165-V169 PolarHBondContact O-N 3.36Å; D166-V169 PolarHBondContact O-N 3.43Å; V169-F172 PolarHBondContact O-N 3.43Å; V169-N173 PolarHBondContact O-N 3.45Å; V169-N173 PolarHBondContact O-ND2 2.87Å |
| 170 | Q | 98.6 | Very high | 98.4 | Very high | 103 Ų | 103 | 101.8 Ų | 101.8 | 48% | 0.481 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61 | -49.3 | 175.8 | -71.4 | 177.7 | 18 | 0 | 0 | 111 | D166 M167 F172 N173 E174 | D166-Q170 WeakPolarHBondContact O-CG 3.26Å; D166-Q170 PolarHBondContact O-N 2.89Å; D166-Q170 PolarHBondContact OD2-NE2 2.95Å; M167-Q170 PolarHBondContact O-N 3.07Å; Q170-F172 VanDerWaalsContact C-N 3.34Å; Q170-F172 PolarHBondContact O-N 3.31Å; Q170-N173 PolarHBondContact O-N 2.85Å; Q170-N173 VanDerWaalsContact O-N 3.13Å; Q170-E174 PolarHBondContact O-N 3.21Å |
| 171 | K | 98.5 | Very high | 98.4 | Very high | 111 Ų | 111 | 101 Ų | 101 | 48% | 0.483 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.3 | -44.7 | 176.4 | -73.5 | 173.7 | -176.1 | 170.1 | 0 | 112.4 | M167 D168 N173 E174 E175 | M167-K171 HydrophobicContact CG-CD 4.4Å; M167-K171 WeakPolarHBondContact O-CG 3.21Å; M167-K171 PolarHBondContact O-N 3.44Å; D168-K171 PolarHBondContact O-N 3.13Å; K171-N173 VanDerWaalsContact C-N 3.3Å; K171-N173 PolarHBondContact O-N 3.05Å; K171-E174 PolarHBondContact O-N 3.32Å; K171-E175 PolarHBondContact O-N 3.46Å |
| 172 | F | 98.5 | Very high | 98.4 | Very high | 129 Ų | 129 | 100 Ų | 100 | 57% | 0.566 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -59.6 | -41.8 | 176.4 | 174.2 | -100.1 | 0 | 0 | 0 | 111.8 | D168 V169 Q170 E175 K176 | D168-F172 WeakPolarHBondContact O-CB 3.2Å; D168-F172 PolarHBondContact O-N 3.02Å; V169-F172 PolarHBondContact O-N 3.43Å; Q170-F172 VanDerWaalsContact C-N 3.34Å; Q170-F172 PolarHBondContact O-N 3.31Å; F172-E175 PolarHBondContact O-N 3.17Å; F172-K176 HydrophobicContact CE1-CD 4.28Å; F172-K176 VanDerWaalsContact O-CB 3.24Å; F172-K176 WeakPolarHBondContact O-CB 3.45Å; F172-K176 PolarHBondContact O-N 3.32Å |
| 173 | N | 98.4 | Very high | 98.4 | Very high | 74 Ų | 74 | 97 Ų | 97 | 40% | 0.396 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.6 | -40.3 | 178.3 | -80.3 | -37.7 | 0 | 0 | 0 | 112.7 | V169 Q170 K171 K176 E177 | V169-N173 PolarHBondContact O-N 3.45Å; V169-N173 PolarHBondContact O-ND2 2.87Å; Q170-N173 PolarHBondContact O-N 2.85Å; Q170-N173 VanDerWaalsContact O-N 3.13Å; K171-N173 VanDerWaalsContact C-N 3.3Å; K171-N173 PolarHBondContact O-N 3.05Å; N173-K176 PolarHBondContact O-N 3.46Å; N173-K176 WeakPolarHBondContact OD1-CE 3.31Å; N173-E177 WeakPolarHBondContact O-CB 3.45Å; N173-E177 PolarHBondContact O-N 3Å |
| 174 | E | 98.4 | Very high | 98.4 | Very high | 108 Ų | 108 | 95.7 Ų | 95.7 | 51% | 0.505 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.3 | -44.1 | 174.5 | -68.9 | 177 | -167.6 | 0 | 0 | 112.1 | Q170 K171 E177 K178 | Q170-E174 PolarHBondContact O-N 3.21Å; K171-E174 PolarHBondContact O-N 3.32Å; E174-E177 PolarHBondContact O-N 2.9Å; E174-K178 WeakPolarHBondContact O-CG 3.4Å; E174-K178 PolarHBondContact O-N 2.96Å |
| 175 | E | 98.4 | Very high | 98.4 | Very high | 131 Ų | 131 | 96.7 Ų | 96.7 | 61% | 0.612 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66.5 | -40.5 | 177.8 | -173.3 | 173.9 | -167.8 | 0 | 0 | 112 | K171 F172 E177 K178 S179 | K171-E175 PolarHBondContact O-N 3.46Å; F172-E175 PolarHBondContact O-N 3.17Å; E175-E177 PolarHBondContact O-N 3.02Å; E175-K178 PolarHBondContact O-N 3.47Å; E175-S179 WeakPolarHBondContact O-CB 3.44Å; E175-S179 PolarHBondContact O-N 3.4Å; E175-S179 PolarHBondContact O-OG 3.04Å |
| 176 | K | 98.3 | Very high | 98.4 | Very high | 102 Ų | 102 | 100.2 Ų | 100.2 | 44% | 0.443 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59 | -46.3 | 173.3 | -177.7 | -176 | 69.3 | 71.7 | 0 | 111.1 | F172 N173 S179 V180 | F172-K176 HydrophobicContact CE1-CD 4.28Å; F172-K176 VanDerWaalsContact O-CB 3.24Å; F172-K176 WeakPolarHBondContact O-CB 3.45Å; F172-K176 PolarHBondContact O-N 3.32Å; N173-K176 PolarHBondContact O-N 3.46Å; N173-K176 WeakPolarHBondContact OD1-CE 3.31Å; K176-S179 PolarHBondContact O-N 3.36Å; K176-V180 WeakPolarHBondContact O-CG2 3.48Å; K176-V180 PolarHBondContact O-N 2.93Å |
| 177 | E | 98.4 | Very high | 98.4 | Very high | 121 Ų | 121 | 100.9 Ų | 100.9 | 57% | 0.565 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.5 | -44.7 | 179.1 | -174 | 178.5 | 176.7 | 0 | 0 | 111.9 | N173 E174 E175 S179 V180 N181 | N173-E177 WeakPolarHBondContact O-CB 3.45Å; N173-E177 PolarHBondContact O-N 3Å; E174-E177 PolarHBondContact O-N 2.9Å; E175-E177 PolarHBondContact O-N 3.02Å; E177-S179 VanDerWaalsContact C-N 3.29Å; E177-S179 PolarHBondContact O-N 2.9Å; E177-V180 PolarHBondContact O-N 3.31Å; E177-N181 WeakPolarHBondContact O-CB 3.33Å; E177-N181 VanDerWaalsContact O-CG 3.29Å; E177-N181 PolarHBondContact O-N 3.47Å; E177-N181 PolarHBondContact O-ND2 3.44Å |
| 178 | K | 98.1 | Very high | 98.3 | Very high | 141 Ų | 141 | 101.9 Ų | 101.9 | 61% | 0.613 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -55.8 | -44.8 | 174.1 | -71.9 | 169.1 | -172.1 | 167.8 | 0 | 111.7 | E174 E175 N181 S182 | E174-K178 WeakPolarHBondContact O-CG 3.4Å; E174-K178 PolarHBondContact O-N 2.96Å; E175-K178 PolarHBondContact O-N 3.47Å; K178-N181 PolarHBondContact O-N 2.88Å; K178-S182 PolarHBondContact O-N 2.91Å |
| 179 | S | 98.1 | Very high | 98.3 | Very high | 70 Ų | 70 | 101.1 Ų | 101.1 | 49% | 0.49 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.8 | -43.4 | 179.3 | -59.9 | 0 | 0 | 0 | 0 | 112.5 | E175 K176 E177 N181 S182 C183 | E175-S179 WeakPolarHBondContact O-CB 3.44Å; E175-S179 PolarHBondContact O-N 3.4Å; E175-S179 PolarHBondContact O-OG 3.04Å; K176-S179 PolarHBondContact O-N 3.36Å; E177-S179 VanDerWaalsContact C-N 3.29Å; E177-S179 PolarHBondContact O-N 2.9Å; S179-N181 VanDerWaalsContact C-N 3.35Å; S179-N181 PolarHBondContact O-N 3.49Å; S179-S182 PolarHBondContact O-N 3.46Å; S179-C183 WeakPolarHBondContact O-CB 3.36Å; S179-C183 PolarHBondContact O-N 2.84Å |
| 180 | V | 98.4 | Very high | 98.3 | Very high | 80 Ų | 80 | 103.4 Ų | 103.4 | 49% | 0.485 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.4 | -45.3 | 175.5 | 168.7 | 0 | 0 | 0 | 0 | 110.9 | K176 E177 S182 C183 Q184 | K176-V180 WeakPolarHBondContact O-CG2 3.48Å; K176-V180 PolarHBondContact O-N 2.93Å; E177-V180 PolarHBondContact O-N 3.31Å; V180-S182 VanDerWaalsContact C-N 3.33Å; V180-S182 PolarHBondContact O-N 2.74Å; V180-C183 PolarHBondContact O-N 2.83Å; V180-Q184 PolarHBondContact O-N 3.07Å |
| 181 | N | 98.2 | Very high | 98.3 | Very high | 70 Ų | 70 | 104.7 Ų | 104.7 | 37% | 0.374 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.5 | -39.3 | 178 | -73 | -28.1 | 0 | 0 | 0 | 112.2 | E177 K178 S179 K185 | E177-N181 WeakPolarHBondContact O-CB 3.33Å; E177-N181 VanDerWaalsContact O-CG 3.29Å; E177-N181 PolarHBondContact O-N 3.47Å; E177-N181 PolarHBondContact O-ND2 3.44Å; K178-N181 PolarHBondContact O-N 2.88Å; S179-N181 VanDerWaalsContact C-N 3.35Å; S179-N181 PolarHBondContact O-N 3.49Å; N181-K185 WeakPolarHBondContact O-CG 3.36Å; N181-K185 PolarHBondContact O-N 3.2Å |
| 182 | S | 98.1 | Very high | 98.2 | Very high | 72 Ų | 72 | 105.5 Ų | 105.5 | 50% | 0.503 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.3 | -48.2 | 174.8 | -167.8 | 0 | 0 | 0 | 0 | 111.7 | K178 S179 V180 Q184 K185 E186 | K178-S182 PolarHBondContact O-N 2.91Å; S179-S182 PolarHBondContact O-N 3.46Å; V180-S182 VanDerWaalsContact C-N 3.33Å; V180-S182 PolarHBondContact O-N 2.74Å; S182-Q184 VanDerWaalsContact C-N 3.29Å; S182-Q184 PolarHBondContact O-N 3.47Å; S182-K185 PolarHBondContact O-N 3.05Å; S182-K185 VanDerWaalsContact O-N 3.17Å; S182-E186 PolarHBondContact O-N 2.91Å |
| 183 | C | 98.1 | Very high | 98.2 | Very high | 79 Ų | 79 | 102.7 Ų | 102.7 | 53% | 0.534 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.3 | -40.2 | 178.1 | -179.2 | 0 | 0 | 0 | 0 | 111.9 | S179 V180 E186 Q187 | S179-C183 WeakPolarHBondContact O-CB 3.36Å; S179-C183 PolarHBondContact O-N 2.84Å; V180-C183 PolarHBondContact O-N 2.83Å; C183-E186 PolarHBondContact O-N 3.14Å; C183-Q187 WeakPolarHBondContact O-CB 3.49Å; C183-Q187 PolarHBondContact O-N 2.98Å |
| 184 | Q | 98.5 | Very high | 98.2 | Very high | 101 Ų | 101 | 105.5 Ų | 105.5 | 47% | 0.472 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.7 | -42.7 | 176.5 | -174.8 | 178.3 | -2.8 | 0 | 0 | 112.3 | V180 S182 Q187 Q188 | V180-Q184 PolarHBondContact O-N 3.07Å; S182-Q184 VanDerWaalsContact C-N 3.29Å; S182-Q184 PolarHBondContact O-N 3.47Å; Q184-Q187 PolarHBondContact O-N 3.35Å; Q184-Q188 WeakPolarHBondContact O-CG 3.35Å; Q184-Q188 PolarHBondContact O-N 2.88Å |
| 185 | K | 98.3 | Very high | 98.2 | Very high | 150 Ų | 150 | 103.3 Ų | 103.3 | 65% | 0.652 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.9 | -44.8 | 176 | -73.1 | 176 | -179.1 | 179.4 | 0 | 111.4 | N181 S182 Q187 Q188 A189 | N181-K185 WeakPolarHBondContact O-CG 3.36Å; N181-K185 PolarHBondContact O-N 3.2Å; S182-K185 PolarHBondContact O-N 3.05Å; S182-K185 VanDerWaalsContact O-N 3.17Å; K185-Q187 VanDerWaalsContact C-N 3.34Å; K185-Q187 PolarHBondContact O-N 2.85Å; K185-Q188 PolarHBondContact O-N 3.38Å; K185-A189 PolarHBondContact O-N 3.26Å |
| 186 | E | 98.1 | Very high | 98.1 | Very high | 138 Ų | 138 | 100.2 Ų | 100.2 | 65% | 0.645 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.5 | -42 | 177.2 | -171.6 | 174.9 | -179.5 | 0 | 0 | 111.6 | S182 C183 Q188 A189 L190 | S182-E186 PolarHBondContact O-N 2.91Å; C183-E186 PolarHBondContact O-N 3.14Å; E186-Q188 VanDerWaalsContact C-N 3.3Å; E186-Q188 PolarHBondContact O-N 3.26Å; E186-A189 PolarHBondContact O-N 3.26Å; E186-L190 WeakPolarHBondContact O-CB 3.44Å; E186-L190 PolarHBondContact O-N 3.2Å |
| 187 | Q | 98.5 | Very high | 98.1 | Very high | 105 Ų | 105 | 101.5 Ų | 101.5 | 49% | 0.491 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.4 | -39.7 | 175.3 | -170 | -171.8 | 72.7 | 0 | 0 | 112 | C183 Q184 K185 K191 | C183-Q187 WeakPolarHBondContact O-CB 3.49Å; C183-Q187 PolarHBondContact O-N 2.98Å; Q184-Q187 PolarHBondContact O-N 3.35Å; K185-Q187 VanDerWaalsContact C-N 3.34Å; K185-Q187 PolarHBondContact O-N 2.85Å; Q187-K191 WeakPolarHBondContact O-CG 3.34Å; Q187-K191 PolarHBondContact O-N 3.45Å; Q187-K191 VanDerWaalsContact O-N 3.11Å |
| 188 | Q | 98.2 | Very high | 98.1 | Very high | 108 Ų | 108 | 99.6 Ų | 99.6 | 51% | 0.505 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.1 | -45.7 | 175.9 | -72.4 | 179.8 | -2.4 | 0 | 0 | 111.7 | Q184 K185 E186 L190 K191 L192 | Q184-Q188 WeakPolarHBondContact O-CG 3.35Å; Q184-Q188 PolarHBondContact O-N 2.88Å; K185-Q188 PolarHBondContact O-N 3.38Å; E186-Q188 VanDerWaalsContact C-N 3.3Å; E186-Q188 PolarHBondContact O-N 3.26Å; Q188-L190 VanDerWaalsContact C-N 3.32Å; Q188-L190 PolarHBondContact O-N 3.48Å; Q188-K191 PolarHBondContact O-N 3.02Å; Q188-L192 WeakPolarHBondContact O-CG 3.3Å; Q188-L192 PolarHBondContact O-N 2.87Å; Q188-L192 VanDerWaalsContact O-N 3.08Å |
| 189 | A | 98.2 | Very high | 98 | Very high | 57 Ų | 57 | 99 Ų | 99 | 47% | 0.471 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.7 | -42.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | K185 E186 L192 S193 | K185-A189 PolarHBondContact O-N 3.26Å; E186-A189 PolarHBondContact O-N 3.26Å; A189-L192 PolarHBondContact O-N 3.45Å; A189-S193 WeakPolarHBondContact O-CB 3.42Å; A189-S193 PolarHBondContact O-N 2.9Å |
| 190 | L | 98.3 | Very high | 98 | Very high | 121 Ų | 121 | 99.8 Ų | 99.8 | 63% | 0.634 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.3 | -41.2 | 177.5 | -175.8 | 63.9 | 0 | 0 | 0 | 112.3 | E186 Q188 S193 K194 | E186-L190 WeakPolarHBondContact O-CB 3.44Å; E186-L190 PolarHBondContact O-N 3.2Å; Q188-L190 VanDerWaalsContact C-N 3.32Å; Q188-L190 PolarHBondContact O-N 3.48Å; L190-S193 PolarHBondContact O-N 3.35Å; L190-K194 WeakPolarHBondContact O-CB 3.35Å; L190-K194 PolarHBondContact O-N 3.34Å |
| 191 | K | 98 | Very high | 98 | Very high | 130 Ų | 130 | 100 Ų | 100 | 57% | 0.565 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.2 | -44.2 | 175.6 | -77.2 | 171.6 | 179.4 | 170.7 | 0 | 111.7 | Q187 Q188 K194 C195 | Q187-K191 WeakPolarHBondContact O-CG 3.34Å; Q187-K191 PolarHBondContact O-N 3.45Å; Q187-K191 VanDerWaalsContact O-N 3.11Å; Q188-K191 PolarHBondContact O-N 3.02Å; K191-K194 PolarHBondContact O-N 2.93Å; K191-C195 PolarHBondContact O-N 3.4Å |
| 192 | L | 97.6 | Very high | 98 | Very high | 128 Ų | 128 | 101.2 Ų | 101.2 | 67% | 0.67 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.5 | -45.8 | 177.8 | -70.2 | 173.6 | 0 | 0 | 0 | 111.8 | Q188 A189 K194 C195 S196 | Q188-L192 WeakPolarHBondContact O-CG 3.3Å; Q188-L192 PolarHBondContact O-N 2.87Å; Q188-L192 VanDerWaalsContact O-N 3.08Å; A189-L192 PolarHBondContact O-N 3.45Å; L192-K194 PolarHBondContact O-N 2.98Å; L192-C195 WeakPolarHBondContact O-CB 3.31Å; L192-C195 PolarHBondContact O-N 2.95Å; L192-S196 PolarHBondContact O-N 2.85Å |
| 193 | S | 98.2 | Very high | 98 | Very high | 71 Ų | 71 | 100.2 Ų | 100.2 | 50% | 0.497 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -58.1 | -47.1 | 176.4 | -178.3 | 0 | 0 | 0 | 0 | 111.6 | A189 L190 C195 S196 Q197 | A189-S193 WeakPolarHBondContact O-CB 3.42Å; A189-S193 PolarHBondContact O-N 2.9Å; L190-S193 PolarHBondContact O-N 3.35Å; S193-C195 VanDerWaalsContact C-N 3.33Å; S193-C195 PolarHBondContact O-N 3.24Å; S193-S196 PolarHBondContact O-N 3.38Å; S193-Q197 WeakPolarHBondContact O-CB 3.36Å; S193-Q197 PolarHBondContact O-N 2.9Å |
| 194 | K | 98.1 | Very high | 98 | Very high | 132 Ų | 132 | 100.5 Ų | 100.5 | 57% | 0.574 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.7 | -39.9 | 176.7 | -174.1 | 175.7 | -179 | 177.4 | 0 | 112.5 | L190 K191 L192 N198 | L190-K194 WeakPolarHBondContact O-CB 3.35Å; L190-K194 PolarHBondContact O-N 3.34Å; K191-K194 PolarHBondContact O-N 2.93Å; L192-K194 PolarHBondContact O-N 2.98Å; K194-N198 WeakPolarHBondContact O-CB 3.29Å; K194-N198 PolarHBondContact O-N 2.63Å; K194-N198 PolarHBondContact O-ND2 3.23Å |
| 195 | C | 97.9 | Very high | 97.9 | Very high | 63 Ų | 63 | 100.6 Ų | 100.6 | 43% | 0.426 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.5 | -48 | 176.8 | -176.2 | 0 | 0 | 0 | 0 | 111.6 | K191 L192 S193 Q197 N198 Q199 | K191-C195 PolarHBondContact O-N 3.4Å; L192-C195 WeakPolarHBondContact O-CB 3.31Å; L192-C195 PolarHBondContact O-N 2.95Å; S193-C195 VanDerWaalsContact C-N 3.33Å; S193-C195 PolarHBondContact O-N 3.24Å; C195-Q197 PolarHBondContact O-N 2.96Å; C195-N198 PolarHBondContact O-N 3.38Å; C195-Q199 WeakPolarHBondContact O-CG 3.16Å; C195-Q199 PolarHBondContact O-N 3.48Å |
| 196 | S | 96.9 | Very high | 97.9 | Very high | 65 Ų | 65 | 99.7 Ų | 99.7 | 46% | 0.455 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.2 | -40.2 | 177.7 | 177.9 | 0 | 0 | 0 | 0 | 112.6 | L192 S193 Q199 T200 | L192-S196 PolarHBondContact O-N 2.85Å; S193-S196 PolarHBondContact O-N 3.38Å; S196-Q199 PolarHBondContact O-N 3.18Å; S196-T200 PolarHBondContact O-N 2.94Å; S196-T200 PolarHBondContact O-OG1 3.45Å |
| 197 | Q | 98 | Very high | 97.8 | Very high | 130 Ų | 130 | 99.4 Ų | 99.4 | 61% | 0.607 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.2 | -44.2 | 175.3 | -173 | 179 | 15.5 | 0 | 0 | 111.4 | S193 C195 T200 L201 | S193-Q197 WeakPolarHBondContact O-CB 3.36Å; S193-Q197 PolarHBondContact O-N 2.9Å; C195-Q197 PolarHBondContact O-N 2.96Å; Q197-T200 PolarHBondContact O-N 3.29Å; Q197-L201 WeakPolarHBondContact O-CB 3.4Å; Q197-L201 PolarHBondContact O-N 2.91Å |
| 198 | N | 98.2 | Very high | 97.8 | Very high | 81 Ų | 81 | 100 Ų | 100 | 43% | 0.433 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.7 | -42.7 | 176.7 | -75 | -12.6 | 0 | 0 | 0 | 111.8 | K194 C195 T200 L201 E202 | K194-N198 WeakPolarHBondContact O-CB 3.29Å; K194-N198 PolarHBondContact O-N 2.63Å; K194-N198 PolarHBondContact O-ND2 3.23Å; C195-N198 PolarHBondContact O-N 3.38Å; N198-T200 VanDerWaalsContact C-N 3.34Å; N198-T200 PolarHBondContact O-N 3.49Å; N198-L201 PolarHBondContact O-N 3.48Å; N198-E202 WeakPolarHBondContact O-CG 3.43Å; N198-E202 PolarHBondContact O-N 2.78Å |
| 199 | Q | 97.2 | Very high | 97.7 | Very high | 129 Ų | 129 | 101.5 Ų | 101.5 | 60% | 0.603 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60.8 | -44 | 175.6 | -73.2 | 173.4 | -22.6 | 0 | 0 | 111.8 | C195 S196 L201 E202 A203 | C195-Q199 WeakPolarHBondContact O-CG 3.16Å; C195-Q199 PolarHBondContact O-N 3.48Å; S196-Q199 PolarHBondContact O-N 3.18Å; Q199-L201 VanDerWaalsContact C-N 3.31Å; Q199-L201 PolarHBondContact O-N 2.77Å; Q199-E202 PolarHBondContact O-N 3.37Å; Q199-A203 PolarHBondContact O-N 2.94Å |
| 200 | T | 98 | Very high | 97.6 | Very high | 85 Ų | 85 | 105.7 Ų | 105.7 | 52% | 0.521 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.3 | -42.8 | 175.3 | -56.3 | 0 | 0 | 0 | 0 | 111.3 | S196 Q197 N198 A203 V204 | S196-T200 PolarHBondContact O-N 2.94Å; S196-T200 PolarHBondContact O-OG1 3.45Å; Q197-T200 PolarHBondContact O-N 3.29Å; N198-T200 VanDerWaalsContact C-N 3.34Å; N198-T200 PolarHBondContact O-N 3.49Å; T200-A203 PolarHBondContact O-N 3.21Å; T200-V204 WeakPolarHBondContact O-CG2 3.35Å; T200-V204 PolarHBondContact O-N 3.42Å |
| 201 | L | 97.7 | Very high | 97.5 | Very high | 86 Ų | 86 | 103 Ų | 103 | 45% | 0.45 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.1 | -42.6 | 178.6 | 179.7 | 62.9 | 0 | 0 | 0 | 112.2 | Q197 N198 Q199 V204 K205 | Q197-L201 WeakPolarHBondContact O-CB 3.4Å; Q197-L201 PolarHBondContact O-N 2.91Å; N198-L201 PolarHBondContact O-N 3.48Å; Q199-L201 VanDerWaalsContact C-N 3.31Å; Q199-L201 PolarHBondContact O-N 2.77Å; L201-V204 PolarHBondContact O-N 3.09Å; L201-K205 WeakPolarHBondContact O-CG 3.18Å; L201-K205 PolarHBondContact O-N 3.42Å |
| 202 | E | 97.9 | Very high | 97.3 | Very high | 94 Ų | 94 | 100.4 Ų | 100.4 | 44% | 0.439 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63 | -43.2 | 176.4 | -68.7 | -55.7 | 119.9 | 0 | 0 | 111.5 | N198 Q199 V204 K205 E206 | N198-E202 WeakPolarHBondContact O-CG 3.43Å; N198-E202 PolarHBondContact O-N 2.78Å; Q199-E202 PolarHBondContact O-N 3.37Å; E202-V204 VanDerWaalsContact C-N 3.3Å; E202-V204 PolarHBondContact O-N 3.13Å; E202-K205 WeakPolarHBondContact O-CB 3.27Å; E202-K205 PolarHBondContact O-N 2.89Å; E202-K205 VanDerWaalsContact O-N 3.12Å; E202-K205 IonicContact OE1-NZ 3.89Å; E202-K205 PolarHBondContact OE1-NZ 3.46Å; E202-E206 WeakPolarHBondContact O-CG 3.3Å; E202-E206 PolarHBondContact O-N 2.99Å |
| 203 | A | 97.7 | Very high | 97.1 | Very high | 52 Ų | 52 | 99.8 Ų | 99.8 | 43% | 0.43 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.7 | -38 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q199 T200 M207 | Q199-A203 PolarHBondContact O-N 2.94Å; T200-A203 PolarHBondContact O-N 3.21Å; A203-M207 WeakPolarHBondContact O-CB 3.43Å; A203-M207 PolarHBondContact O-N 2.89Å; A203-M207 VanDerWaalsContact O-N 3.11Å |
| 204 | V | 98.1 | Very high | 96.9 | Very high | 85 Ų | 85 | 100.2 Ų | 100.2 | 52% | 0.515 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.9 | -40.8 | 175 | 170.6 | 0 | 0 | 0 | 0 | 111.3 | T200 L201 E202 M207 H208 | T200-V204 WeakPolarHBondContact O-CG2 3.35Å; T200-V204 PolarHBondContact O-N 3.42Å; L201-V204 PolarHBondContact O-N 3.09Å; E202-V204 VanDerWaalsContact C-N 3.3Å; E202-V204 PolarHBondContact O-N 3.13Å; V204-M207 PolarHBondContact O-N 3.41Å; V204-H208 WeakPolarHBondContact O-CB 3.49Å; V204-H208 PolarHBondContact O-N 3.15Å |
| 205 | K | 97.6 | Very high | 96.6 | Very high | 102 Ų | 102 | 99.2 Ų | 99.2 | 44% | 0.443 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.6 | -46.8 | 176.5 | -73.4 | 174.7 | -176.1 | 169.5 | 0 | 111.8 | L201 E202 M207 H208 E209 | L201-K205 WeakPolarHBondContact O-CG 3.18Å; L201-K205 PolarHBondContact O-N 3.42Å; E202-K205 WeakPolarHBondContact O-CB 3.27Å; E202-K205 PolarHBondContact O-N 2.89Å; E202-K205 VanDerWaalsContact O-N 3.12Å; E202-K205 IonicContact OE1-NZ 3.89Å; E202-K205 PolarHBondContact OE1-NZ 3.46Å; K205-M207 VanDerWaalsContact C-N 3.3Å; K205-M207 PolarHBondContact O-N 2.91Å; K205-H208 WeakPolarHBondContact O-CB 3.46Å; K205-H208 PolarHBondContact O-N 3.09Å; K205-H208 VanDerWaalsContact O-N 3.17Å; K205-E209 WeakPolarHBondContact O-CB 3.26Å; K205-E209 PolarHBondContact O-N 3.14Å |
| 206 | E | 97.5 | Very high | 96.3 | Very high | 132 Ų | 132 | 102 Ų | 102 | 62% | 0.617 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -59.4 | -42 | 177.3 | -72.4 | 178.9 | -179.9 | 0 | 0 | 111.6 | E202 H208 E209 K210 | E202-E206 WeakPolarHBondContact O-CG 3.3Å; E202-E206 PolarHBondContact O-N 2.99Å; E206-H208 PolarHBondContact O-N 2.74Å; E206-E209 PolarHBondContact O-N 2.89Å; E206-K210 WeakPolarHBondContact O-CB 3.37Å; E206-K210 PolarHBondContact O-N 3.41Å |
| 207 | M | 97 | Very high | 95.9 | Very high | 132 Ų | 132 | 103 Ų | 103 | 65% | 0.65 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.1 | -40.9 | 176.6 | -170.8 | -174.2 | -57.8 | 0 | 0 | 112.1 | A203 V204 K205 S211 | A203-M207 WeakPolarHBondContact O-CB 3.43Å; A203-M207 PolarHBondContact O-N 2.89Å; A203-M207 VanDerWaalsContact O-N 3.11Å; V204-M207 PolarHBondContact O-N 3.41Å; K205-M207 VanDerWaalsContact C-N 3.3Å; K205-M207 PolarHBondContact O-N 2.91Å; M207-S211 WeakPolarHBondContact O-CB 3.49Å; M207-S211 PolarHBondContact O-N 3.22Å; M207-S211 PolarHBondContact O-OG 3.03Å |
| 208 | H | 97.3 | Very high | 95.3 | Very high | 118 Ų | 118 | 102 Ų | 102 | 55% | 0.546 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.7 | -47.2 | 176.5 | 173.6 | -93.7 | 0 | 0 | 0 | 111.6 | V204 K205 E206 K210 S211 M212 | V204-H208 WeakPolarHBondContact O-CB 3.49Å; V204-H208 PolarHBondContact O-N 3.15Å; K205-H208 WeakPolarHBondContact O-CB 3.46Å; K205-H208 PolarHBondContact O-N 3.09Å; K205-H208 VanDerWaalsContact O-N 3.17Å; E206-H208 PolarHBondContact O-N 2.74Å; H208-K210 PolarHBondContact O-N 2.93Å; H208-S211 WeakPolarHBondContact O-CB 3.41Å; H208-S211 PolarHBondContact O-N 2.94Å; H208-S211 VanDerWaalsContact O-N 3.14Å; H208-M212 WeakPolarHBondContact O-CG 3.39Å; H208-M212 PolarHBondContact O-N 3.3Å |
| 209 | E | 96.4 | Very high | 94.4 | Very high | 138 Ų | 138 | 100.6 Ų | 100.6 | 65% | 0.645 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -58.6 | -47.2 | 177.9 | -175.1 | 170.8 | -165.8 | 0 | 0 | 111.5 | K205 E206 S211 M212 E213 | K205-E209 WeakPolarHBondContact O-CB 3.26Å; K205-E209 PolarHBondContact O-N 3.14Å; E206-E209 PolarHBondContact O-N 2.89Å; E209-S211 VanDerWaalsContact C-N 3.29Å; E209-S211 PolarHBondContact O-N 2.91Å; E209-M212 PolarHBondContact O-N 3.22Å; E209-E213 PolarHBondContact O-N 3.4Å |
| 210 | K | 95.9 | Very high | 93.2 | Very high | 146 Ų | 146 | 99.5 Ų | 99.5 | 64% | 0.635 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.5 | -37.6 | 175.5 | -172.4 | 174.6 | -176.6 | 174.5 | 0 | 112.6 | E206 H208 E213 V214 | E206-K210 WeakPolarHBondContact O-CB 3.37Å; E206-K210 PolarHBondContact O-N 3.41Å; H208-K210 PolarHBondContact O-N 2.93Å; K210-E213 PolarHBondContact O-N 3.34Å; K210-V214 WeakPolarHBondContact O-CG2 3.24Å; K210-V214 PolarHBondContact O-N 3.35Å; K210-V214 VanDerWaalsContact O-N 3.11Å |
| 211 | S | 95.6 | Very high | 91.5 | Very high | 63 Ų | 63 | 104 Ų | 104 | 44% | 0.441 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.3 | -42.5 | 177 | -59.2 | 0 | 0 | 0 | 0 | 111.6 | M207 H208 E209 V214 L215 | M207-S211 WeakPolarHBondContact O-CB 3.49Å; M207-S211 PolarHBondContact O-N 3.22Å; M207-S211 PolarHBondContact O-OG 3.03Å; H208-S211 WeakPolarHBondContact O-CB 3.41Å; H208-S211 PolarHBondContact O-N 2.94Å; H208-S211 VanDerWaalsContact O-N 3.14Å; E209-S211 VanDerWaalsContact C-N 3.29Å; E209-S211 PolarHBondContact O-N 2.91Å; S211-V214 PolarHBondContact O-N 3.31Å; S211-L215 WeakPolarHBondContact O-CG 3.11Å; S211-L215 PolarHBondContact O-N 3.01Å |
| 212 | M | 94.2 | Very high | 89.3 | Confident | 77 Ų | 77 | 109.6 Ų | 109.6 | 38% | 0.379 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -63.7 | -40.9 | 175.8 | -70.2 | -62.3 | -68.8 | 0 | 0 | 111.7 | H208 E209 V214 L215 M216 | H208-M212 WeakPolarHBondContact O-CG 3.39Å; H208-M212 PolarHBondContact O-N 3.3Å; E209-M212 PolarHBondContact O-N 3.22Å; M212-V214 PolarHBondContact O-N 3.36Å; M212-L215 PolarHBondContact O-N 2.95Å; M212-L215 HydrophobicContact SD-CD1 4.46Å; M212-M216 HydrophobicContact CE-CE 4.29Å; M212-M216 WeakPolarHBondContact O-CG 3.15Å; M212-M216 PolarHBondContact O-N 3.26Å |
| 213 | E | 94.5 | Very high | 88.8 | Confident | 114 Ų | 114 | 110.4 Ų | 110.4 | 53% | 0.533 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -60.7 | -44.6 | 175.5 | -174.5 | -178.9 | -172.8 | 0 | 0 | 111.9 | E209 K210 L215 M216 N217 | E209-E213 PolarHBondContact O-N 3.4Å; K210-E213 PolarHBondContact O-N 3.34Å; E213-L215 VanDerWaalsContact C-N 3.33Å; E213-L215 PolarHBondContact O-N 3.33Å; E213-M216 PolarHBondContact O-N 3.48Å; E213-N217 WeakPolarHBondContact O-CB 3.09Å; E213-N217 VanDerWaalsContact O-CG 3.24Å; E213-N217 PolarHBondContact O-N 3.13Å; E213-N217 PolarHBondContact O-ND2 3.41Å; E213-N217 VanDerWaalsContact O-ND2 3.14Å |
| 214 | V | 93.9 | Very high | 88.4 | Confident | 81 Ų | 81 | 113.5 Ų | 113.5 | 49% | 0.491 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -60 | -43.2 | 175 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | K210 S211 M212 L218 | K210-V214 WeakPolarHBondContact O-CG2 3.24Å; K210-V214 PolarHBondContact O-N 3.35Å; K210-V214 VanDerWaalsContact O-N 3.11Å; S211-V214 PolarHBondContact O-N 3.31Å; M212-V214 PolarHBondContact O-N 3.36Å; V214-L218 HydrophobicContact CG1-CD1 4.22Å; V214-L218 WeakPolarHBondContact O-CG 3.04Å; V214-L218 PolarHBondContact O-N 3.37Å |
| 215 | L | 91.6 | Very high | 87.8 | Confident | 111 Ų | 111 | 115.1 Ų | 115.1 | 58% | 0.581 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -66.5 | -42.2 | 178 | -70.6 | 173.2 | 0 | 0 | 0 | 112.5 | S211 M212 E213 L218 G219 | S211-L215 WeakPolarHBondContact O-CG 3.11Å; S211-L215 PolarHBondContact O-N 3.01Å; M212-L215 PolarHBondContact O-N 2.95Å; M212-L215 HydrophobicContact SD-CD1 4.46Å; E213-L215 VanDerWaalsContact C-N 3.33Å; E213-L215 PolarHBondContact O-N 3.33Å; L215-L218 PolarHBondContact O-N 3.47Å; L215-G219 PolarHBondContact O-N 3.07Å; L215-G219 VanDerWaalsContact O-N 3.14Å |
| 216 | M | 90.4 | Very high | 87.2 | Confident | 122 Ų | 122 | 115.8 Ų | 115.8 | 60% | 0.601 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -62.8 | -44.6 | 177.2 | -72.7 | -176.4 | -173.6 | 0 | 0 | 111.6 | M212 E213 L218 G219 T220 | M212-M216 HydrophobicContact CE-CE 4.29Å; M212-M216 WeakPolarHBondContact O-CG 3.15Å; M212-M216 PolarHBondContact O-N 3.26Å; E213-M216 PolarHBondContact O-N 3.48Å; M216-L218 PolarHBondContact O-N 3.25Å; M216-G219 PolarHBondContact O-N 2.86Å; M216-G219 VanDerWaalsContact O-N 3.09Å; M216-T220 PolarHBondContact O-N 3.42Å; M216-T220 PolarHBondContact O-OG1 2.87Å |
| 217 | N | 89.6 | Confident | 86.6 | Confident | 84 Ų | 84 | 114.8 Ų | 114.8 | 45% | 0.449 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -65.6 | -25.2 | 178.9 | -72.4 | -30.1 | 0 | 0 | 0 | 113.6 | E213 T220 | E213-N217 WeakPolarHBondContact O-CB 3.09Å; E213-N217 VanDerWaalsContact O-CG 3.24Å; E213-N217 PolarHBondContact O-N 3.13Å; E213-N217 PolarHBondContact O-ND2 3.41Å; E213-N217 VanDerWaalsContact O-ND2 3.14Å; N217-T220 PolarHBondContact O-OG1 3.44Å |
| 218 | L | 84.5 | Confident | 85.9 | Confident | 110 Ų | 110 | 113.7 Ų | 113.7 | 58% | 0.576 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -76.1 | -36.5 | 171.8 | -72.8 | 166.9 | 0 | 0 | 0 | 111.8 | V214 L215 M216 | V214-L218 HydrophobicContact CG1-CD1 4.22Å; V214-L218 WeakPolarHBondContact O-CG 3.04Å; V214-L218 PolarHBondContact O-N 3.37Å; L215-L218 PolarHBondContact O-N 3.47Å; M216-L218 PolarHBondContact O-N 3.25Å |
| 219 | G | 80 | Confident | 85.1 | Confident | 52 Ų | 52 | 113.4 Ų | 113.4 | 54% | 0.536 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -68.4 | -29.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | L215 M216 | L215-G219 PolarHBondContact O-N 3.07Å; L215-G219 VanDerWaalsContact O-N 3.14Å; M216-G219 PolarHBondContact O-N 2.86Å; M216-G219 VanDerWaalsContact O-N 3.09Å |
| 220 | T | 72.9 | Confident | 84.2 | Confident | 106 Ų | 106 | 111.5 Ų | 111.5 | 65% | 0.65 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -8 | -179.6 | 54.2 | 0 | 0 | 0 | 0 | 114.8 | M216 N217 | M216-T220 PolarHBondContact O-N 3.42Å; M216-T220 PolarHBondContact O-OG1 2.87Å; N217-T220 PolarHBondContact O-OG1 3.44Å |
| 221 | K | 61.1 | Low | 83.3 | Confident | 180 Ų | 180 | 108.6 Ų | 108.6 | 78% | 0.783 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | 3.5 | 179.1 | -80.6 | -175.6 | 178.7 | 179.3 | 0 | 114 | ||
| 222 | N | 50.9 | Low | 82.1 | Confident | 203 Ų | 203 | 112.7 Ų | 112.7 | 100% | 1.086 | 61% | 0.606 | S | S | * | * | trans | -106.3 | 0 | 170.1 | -68.9 | -24.3 | 0 | 0 | 0 | 110 |
Retrieved 222 of 222 residues in 114.8 ms
(Link to these results)