| 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 | 44.5 | Very low | 57.2 | Low | 246 Ų | 246 | 154.3 Ų | 154.3 | 100% | 1.212 | 73% | 0.73 | S | S | * | * | 0 | 112.5 | 0 | -79.6 | -173.9 | -102.6 | 0 | 0 | 108.6 | |||||
| 2 | R | 43.2 | Very low | 58.8 | Low | 248 Ų | 248 | 146.3 Ų | 146.3 | 94% | 0.936 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 121.8 | 173.6 | -81.5 | -178.5 | 173.7 | 167.9 | -2.6 | 108.3 | M4 | R2-M4 PolarHBondContact O-N 3.45Š|
| 3 | R | 41.1 | Very low | 59.8 | Low | 249 Ų | 249 | 141.4 Ų | 141.4 | 94% | 0.94 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 117.9 | 170.4 | -69.7 | -171.8 | -174.1 | -160.7 | 2.5 | 107.5 | ||
| 4 | M | 41.6 | Very low | 60.9 | Low | 177 Ų | 177 | 139.2 Ų | 139.2 | 87% | 0.872 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 123.7 | 169.2 | -63.7 | -91 | -87.4 | 0 | 0 | 107 | R2 | R2-M4 PolarHBondContact O-N 3.45Š|
| 5 | A | 60.2 | Low | 62 | Low | 94 Ų | 94 | 142.7 Ų | 142.7 | 78% | 0.777 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -70 | 131.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | K7 | A5-K7 PolarHBondContact O-N 3.37Š|
| 6 | L | 49.1 | Very low | 62.9 | Low | 170 Ų | 170 | 139 Ų | 139 | 89% | 0.89 | 69% | 0.694 | S | S | * | * | trans | -72 | 109.8 | 172.1 | -79.3 | 125.5 | 0 | 0 | 0 | 108.1 | ||||
| 7 | K | 62.8 | Low | 63.7 | Low | 128 Ų | 128 | 139.2 Ų | 139.2 | 56% | 0.557 | 69% | 0.686 | S | S | * | * | trans | -64 | 138.6 | 172.9 | -65.9 | -172 | 169.6 | -131.3 | 0 | 110 | A5 L9 D24 | A5-K7 PolarHBondContact O-N 3.37Å; K7-L9 PolarHBondContact O-N 3.43Å; K7-D24 WeakPolarHBondContact CE-OD1 3.36Å; K7-D24 IonicContact NZ-OD1 2.79Å; K7-D24 PolarHBondContact NZ-OD1 3.42Å; K7-D24 IonicContact NZ-OD2 3.35Å; K7-D24 PolarHBondContact NZ-OD2 2.9Å | ||
| 8 | K | 66.5 | Low | 64.5 | Low | 120 Ų | 120 | 136.9 Ų | 136.9 | 52% | 0.522 | 68% | 0.676 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.4 | 106.1 | 173.7 | -67.4 | 178.2 | -165.5 | 133.4 | 0 | 108.6 | F23 D25 | K8-F23 PolarHBondContact O-N 3.21Å; K8-D25 VanDerWaalsContact NZ-CG 3.3Å; K8-D25 IonicContact NZ-OD1 2.77Å; K8-D25 PolarHBondContact NZ-OD1 3.49Å; K8-D25 IonicContact NZ-OD2 2.95Å; K8-D25 PolarHBondContact NZ-OD2 3.33Å |
| 9 | L | 70.8 | Confident | 65.1 | Low | 84 Ų | 84 | 133.5 Ų | 133.5 | 44% | 0.44 | 66% | 0.661 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.1 | 127.2 | 175.6 | -175 | 72.5 | 0 | 0 | 0 | 109.8 | K7 V11 L20 D22 | K7-L9 PolarHBondContact O-N 3.43Å; L9-V11 HydrophobicContact CD2-CG2 4.17Å; L9-V11 HydrophobicContact CG-CG2 4.32Å; L9-L20 HydrophobicContact CD1-CB 3.92Å; L9-L20 HydrophobicContact CD1-CD2 3.95Å; L9-L20 HydrophobicContact CD1-CG 3.88Å; L9-L20 HydrophobicContact CD2-CD2 3.66Å; L9-L20 HydrophobicContact CD2-CG 3.91Å; L9-L20 HydrophobicContact CG-CD2 4.34Å; L9-L20 HydrophobicContact CG-CG 4.21Å; L9-D22 WeakPolarHBondContact CD1-OD1 3.33Å |
| 10 | K | 77 | Confident | 65.5 | Low | 124 Ų | 124 | 132.2 Ų | 132.2 | 54% | 0.539 | 66% | 0.656 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.8 | 128.4 | 168.9 | -170.6 | 161.7 | -179.3 | 162.6 | 0 | 109.7 | I12 L21 F23 | K10-I12 HydrophobicContact CG-CG1 4.5Å; K10-L21 PolarHBondContact N-O 2.97Å; K10-L21 PolarHBondContact O-N 3.31Å; K10-F23 HydrophobicContact CB-CD2 4.36Å; K10-F23 HydrophobicContact CB-CE2 3.9Å; K10-F23 HydrophobicContact CD-CE2 4.27Å |
| 11 | V | 72.5 | Confident | 65.7 | Low | 57 Ų | 57 | 129.4 Ų | 129.4 | 35% | 0.345 | 64% | 0.643 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.1 | 118.7 | 178.6 | -177.8 | 0 | 0 | 0 | 0 | 108.8 | L9 L18 L19 L20 | L9-V11 HydrophobicContact CD2-CG2 4.17Å; L9-V11 HydrophobicContact CG-CG2 4.32Å; V11-L18 HydrophobicContact CG1-CB 4.03Å; V11-L18 HydrophobicContact CG1-CD1 4.03Å; V11-L18 HydrophobicContact CG1-CD2 4.23Å; V11-L18 HydrophobicContact CG1-CG 4.33Å; V11-L19 WeakPolarHBondContact CA-O 3.39Å; V11-L20 HydrophobicContact CG1-CD1 4.45Å; V11-L20 HydrophobicContact CG2-CD1 4.29Å; V11-L20 HydrophobicContact CG2-CG 4.34Å |
| 12 | I | 76.7 | Confident | 66.6 | Low | 58 Ų | 58 | 122.8 Ų | 122.8 | 30% | 0.297 | 61% | 0.613 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.7 | 114.8 | 175.5 | -57.5 | 178.8 | 0 | 0 | 0 | 108.1 | K10 L19 L21 | K10-I12 HydrophobicContact CG-CG1 4.5Å; I12-L19 HydrophobicContact CB-CB 4.32Å; I12-L19 PolarHBondContact N-O 3.27Å; I12-L19 PolarHBondContact O-N 3.2Å; I12-L21 HydrophobicContact CD1-CD1 3.6Å; I12-L21 HydrophobicContact CG1-CD1 4.38Å |
| 13 | P | 71.3 | Confident | 67.1 | Low | 83 Ų | 83 | 116.5 Ų | 116.5 | 54% | 0.539 | 59% | 0.592 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -69.1 | 137.9 | 173.4 | 25.9 | -29.6 | 0 | 0 | 0 | 111.5 | L18 | P13-L18 HydrophobicContact CB-CD2 3.84Å |
| 14 | K | 75.6 | Confident | 67.9 | Low | 111 Ų | 111 | 109.4 Ų | 109.4 | 48% | 0.483 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -130.5 | 164.8 | 171.1 | -68 | -65.3 | -175.6 | 175.9 | 0 | 109.3 | G16 Y17 L19 | K14-G16 PolarHBondContact O-N 3.1Å; K14-Y17 CarbonylContact C-O 3.52Å; K14-Y17 HydrophobicContact CB-CD1 4.45Å; K14-Y17 HydrophobicContact CB-CD2 4.16Å; K14-Y17 HydrophobicContact CB-CE1 4.13Å; K14-Y17 HydrophobicContact CB-CE2 3.82Å; K14-Y17 HydrophobicContact CB-CG 4.45Å; K14-Y17 HydrophobicContact CG-CE2 4Å; K14-Y17 PolarHBondContact N-O 3.4Å; K14-Y17 PolarHBondContact O-N 3.34Å; K14-L19 HydrophobicContact CG-CD1 3.83Å; K14-L19 HydrophobicContact CG-CG 4.33Å |
| 15 | E | 77.8 | Confident | 68.7 | Low | 191 Ų | 191 | 106.6 Ų | 106.6 | 89% | 0.893 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | 106.6 | 175.9 | -146.2 | 78.1 | -141.3 | 0 | 0 | 109.3 | Y17 | E15-Y17 WeakPolarHBondContact O-CD1 3.29Š|
| 16 | G | 75.8 | Confident | 68.5 | Low | 84 Ų | 84 | 109.4 Ų | 109.4 | 87% | 0.866 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 88 | -3.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | K14 | K14-G16 PolarHBondContact O-N 3.1Š|
| 17 | Y | 77 | Confident | 68.6 | Low | 142 Ų | 142 | 109.3 Ų | 109.3 | 56% | 0.557 | 56% | 0.559 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -159 | 165.9 | 176.5 | 59.8 | -83.8 | 0 | 0 | 0 | 112.9 | K14 E15 L19 | K14-Y17 CarbonylContact C-O 3.52Å; K14-Y17 HydrophobicContact CB-CD1 4.45Å; K14-Y17 HydrophobicContact CB-CD2 4.16Å; K14-Y17 HydrophobicContact CB-CE1 4.13Å; K14-Y17 HydrophobicContact CB-CE2 3.82Å; K14-Y17 HydrophobicContact CB-CG 4.45Å; K14-Y17 HydrophobicContact CG-CE2 4Å; K14-Y17 PolarHBondContact N-O 3.4Å; K14-Y17 PolarHBondContact O-N 3.34Å; E15-Y17 WeakPolarHBondContact O-CD1 3.29Å; Y17-L19 HydrophobicContact CD2-CD2 4.48Å; Y17-L19 HydrophobicContact CD2-CG 4.23Å; Y17-L19 HydrophobicContact CE2-CD1 4.28Å; Y17-L19 HydrophobicContact CE2-CD2 4.04Å; Y17-L19 HydrophobicContact CE2-CG 3.82Å |
| 18 | L | 77.6 | Confident | 67.9 | Low | 98 Ų | 98 | 110.1 Ų | 110.1 | 51% | 0.513 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.1 | 127 | 173.9 | -61.6 | -179.2 | 0 | 0 | 0 | 109.5 | V11 P13 L20 | V11-L18 HydrophobicContact CG1-CB 4.03Å; V11-L18 HydrophobicContact CG1-CD1 4.03Å; V11-L18 HydrophobicContact CG1-CD2 4.23Å; V11-L18 HydrophobicContact CG1-CG 4.33Å; P13-L18 HydrophobicContact CB-CD2 3.84Å; L18-L20 HydrophobicContact CB-CD1 4.32Å |
| 19 | L | 75.5 | Confident | 67 | Low | 72 Ų | 72 | 111.2 Ų | 111.2 | 38% | 0.377 | 58% | 0.581 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.3 | 120.1 | 168.7 | -74.9 | 166.1 | 0 | 0 | 0 | 109 | V11 I12 K14 Y17 | V11-L19 WeakPolarHBondContact CA-O 3.39Å; I12-L19 HydrophobicContact CB-CB 4.32Å; I12-L19 PolarHBondContact N-O 3.27Å; I12-L19 PolarHBondContact O-N 3.2Å; K14-L19 HydrophobicContact CG-CD1 3.83Å; K14-L19 HydrophobicContact CG-CG 4.33Å; Y17-L19 HydrophobicContact CD2-CD2 4.48Å; Y17-L19 HydrophobicContact CD2-CG 4.23Å; Y17-L19 HydrophobicContact CE2-CD1 4.28Å; Y17-L19 HydrophobicContact CE2-CD2 4.04Å; Y17-L19 HydrophobicContact CE2-CG 3.82Å |
| 20 | L | 73 | Confident | 65.8 | Low | 107 Ų | 107 | 114.5 Ų | 114.5 | 56% | 0.56 | 60% | 0.597 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -95.4 | 119 | 170 | -93.1 | 71.4 | 0 | 0 | 0 | 108.1 | L9 V11 L18 | L9-L20 HydrophobicContact CD1-CB 3.92Å; L9-L20 HydrophobicContact CD1-CD2 3.95Å; L9-L20 HydrophobicContact CD1-CG 3.88Å; L9-L20 HydrophobicContact CD2-CD2 3.66Å; L9-L20 HydrophobicContact CD2-CG 3.91Å; L9-L20 HydrophobicContact CG-CD2 4.34Å; L9-L20 HydrophobicContact CG-CG 4.21Å; V11-L20 HydrophobicContact CG1-CD1 4.45Å; V11-L20 HydrophobicContact CG2-CD1 4.29Å; V11-L20 HydrophobicContact CG2-CG 4.34Å; L18-L20 HydrophobicContact CB-CD1 4.32Å |
| 21 | L | 69.6 | Low | 64.1 | Low | 75 Ų | 75 | 117.4 Ų | 117.4 | 39% | 0.393 | 61% | 0.61 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.6 | 116 | 173.3 | -66.8 | 168.3 | 0 | 0 | 0 | 108.3 | K10 I12 F23 | K10-L21 PolarHBondContact N-O 2.97Å; K10-L21 PolarHBondContact O-N 3.31Å; I12-L21 HydrophobicContact CD1-CD1 3.6Å; I12-L21 HydrophobicContact CG1-CD1 4.38Å; L21-F23 HydrophobicContact CB-CE2 4.34Å |
| 22 | D | 63.7 | Low | 62.6 | Low | 107 Ų | 107 | 120.6 Ų | 120.6 | 57% | 0.572 | 63% | 0.629 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -81.8 | 117 | 169.6 | -72.8 | -21 | 0 | 0 | 0 | 108.1 | L9 | L9-D22 WeakPolarHBondContact CD1-OD1 3.33Å |
| 23 | F | 54.1 | Low | 60.9 | Low | 116 Ų | 116 | 122.3 Ų | 122.3 | 51% | 0.509 | 65% | 0.647 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.5 | 94.2 | 160.1 | -66.6 | -85.9 | 0 | 0 | 0 | 105.7 | K8 K10 L21 D25 | K8-F23 PolarHBondContact O-N 3.21Å; K10-F23 HydrophobicContact CB-CD2 4.36Å; K10-F23 HydrophobicContact CB-CE2 3.9Å; K10-F23 HydrophobicContact CD-CE2 4.27Å; L21-F23 HydrophobicContact CB-CE2 4.34Å; F23-D25 PolarHBondContact O-N 2.76Å |
| 24 | D | 58.6 | Low | 59.5 | Low | 99 Ų | 99 | 126.1 Ų | 126.1 | 53% | 0.529 | 66% | 0.657 | S | S | . | * | trans | -63.5 | 127.5 | 157.7 | -88.2 | -26.7 | 0 | 0 | 0 | 105.7 | K7 E26 | K7-D24 WeakPolarHBondContact CE-OD1 3.36Å; K7-D24 IonicContact NZ-OD1 2.79Å; K7-D24 PolarHBondContact NZ-OD1 3.42Å; K7-D24 IonicContact NZ-OD2 3.35Å; K7-D24 PolarHBondContact NZ-OD2 2.9Å; D24-E26 PolarHBondContact O-N 3.39Å | ||
| 25 | D | 57.2 | Low | 57.8 | Low | 119 Ų | 119 | 130 Ų | 130 | 64% | 0.636 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -68.2 | 18.1 | -173.7 | -92.3 | -30.1 | 0 | 0 | 0 | 112.7 | K8 F23 | K8-D25 VanDerWaalsContact NZ-CG 3.3Å; K8-D25 IonicContact NZ-OD1 2.77Å; K8-D25 PolarHBondContact NZ-OD1 3.49Å; K8-D25 IonicContact NZ-OD2 2.95Å; K8-D25 PolarHBondContact NZ-OD2 3.33Å; F23-D25 PolarHBondContact O-N 2.76Å |
| 26 | E | 56.4 | Low | 56 | Low | 152 Ų | 152 | 124.9 Ų | 124.9 | 71% | 0.71 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -113.6 | 132.6 | 175.2 | -66.3 | -90.1 | 161 | 0 | 0 | 107.2 | D24 D28 | D24-E26 PolarHBondContact O-N 3.39Å; E26-D28 PolarHBondContact O-N 3.08Å |
| 27 | D | 50.5 | Low | 54.2 | Low | 169 Ų | 169 | 128.1 Ų | 128.1 | 90% | 0.904 | 66% | 0.664 | S | S | * | * | trans | -61.8 | 48.3 | -172.9 | -65.1 | -67.4 | 0 | 0 | 0 | 115.5 | D29 | D27-D29 PolarHBondContact O-N 3.16Š| ||
| 28 | D | 48.5 | Very low | 52.5 | Low | 145 Ų | 145 | 126 Ų | 126 | 78% | 0.775 | 67% | 0.67 | S | S | * | * | trans | -87.7 | 105.2 | 175 | -78 | -30.7 | 0 | 0 | 0 | 109.1 | E26 I30 | E26-D28 PolarHBondContact O-N 3.08Å; D28-I30 PolarHBondContact O-N 3.03Å | ||
| 29 | D | 48.2 | Very low | 50.6 | Low | 143 Ų | 143 | 129.9 Ų | 129.9 | 77% | 0.765 | 69% | 0.685 | S | S | * | * | trans | -26.5 | 127.3 | 167.7 | -71.3 | -48.6 | 0 | 0 | 0 | 112 | D27 K31 | D27-D29 PolarHBondContact O-N 3.16Å; D29-K31 VanDerWaalsContact C-N 3.27Å; D29-K31 WeakPolarHBondContact O-CG 3.45Å; D29-K31 PolarHBondContact O-N 3.33Å | ||
| 30 | I | 45.1 | Very low | 48.9 | Very low | 153 Ų | 153 | 132 Ų | 132 | 79% | 0.785 | 70% | 0.701 | S | S | * | * | trans | -44.9 | 89.2 | 178.6 | -52.7 | 166.8 | 0 | 0 | 0 | 109.4 | D28 V32 | D28-I30 PolarHBondContact O-N 3.03Å; I30-V32 VanDerWaalsContact C-N 3.26Å; I30-V32 HydrophobicContact CG2-CG2 3.89Å; I30-V32 PolarHBondContact O-N 3.1Å | ||
| 31 | K | 41.7 | Very low | 47.5 | Very low | 185 Ų | 185 | 135.7 Ų | 135.7 | 80% | 0.804 | 71% | 0.712 | S | S | * | * | trans | -76.8 | 91.4 | 173.1 | -67.3 | -152.2 | -177 | -176.5 | 0 | 105.7 | D29 S33 | D29-K31 VanDerWaalsContact C-N 3.27Å; D29-K31 WeakPolarHBondContact O-CG 3.45Å; D29-K31 PolarHBondContact O-N 3.33Å; K31-S33 PolarHBondContact O-N 3.47Å | ||
| 32 | V | 40.8 | Very low | 46.2 | Very low | 124 Ų | 124 | 136.3 Ų | 136.3 | 75% | 0.752 | 72% | 0.723 | S | S | * | * | trans | -65.5 | 80 | 163.5 | -176.5 | 0 | 0 | 0 | 0 | 106.4 | I30 E34 | I30-V32 VanDerWaalsContact C-N 3.26Å; I30-V32 HydrophobicContact CG2-CG2 3.89Å; I30-V32 PolarHBondContact O-N 3.1Å; V32-E34 PolarHBondContact O-N 2.93Å | ||
| 33 | S | 41.5 | Very low | 44.9 | Very low | 94 Ų | 94 | 136.7 Ų | 136.7 | 66% | 0.657 | 73% | 0.731 | S | S | * | * | trans | -74.5 | 102.3 | 166.2 | 30.4 | 0 | 0 | 0 | 0 | 107.1 | K31 E35 | K31-S33 PolarHBondContact O-N 3.47Å; S33-E35 PolarHBondContact O-N 3.5Å | ||
| 34 | E | 42.1 | Very low | 44.1 | Very low | 163 Ų | 163 | 135.5 Ų | 135.5 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -63.5 | -1.5 | 177 | -163.8 | 171.2 | 177.5 | 0 | 0 | 113.1 | V32 A36 | V32-E34 PolarHBondContact O-N 2.93Å; E34-A36 PolarHBondContact O-N 3.21Å |
| 35 | E | 38.7 | Very low | 43 | Very low | 191 Ų | 191 | 140.5 Ų | 140.5 | 89% | 0.893 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -86.1 | 7.8 | -169.2 | -66.3 | -165.1 | 153.7 | 0 | 0 | 116.2 | S33 | S33-E35 PolarHBondContact O-N 3.5Š|
| 36 | A | 40.1 | Very low | 42.1 | Very low | 84 Ų | 84 | 141.1 Ų | 141.1 | 69% | 0.694 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | -121.5 | 21.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | E34 S38 | E34-A36 PolarHBondContact O-N 3.21Å; A36-S38 PolarHBondContact O-N 2.92Å |
| 37 | L | 38.8 | Very low | 41.6 | Very low | 153 Ų | 153 | 144.2 Ų | 144.2 | 80% | 0.801 | 78% | 0.775 | S | S | * | * | trans | -70.5 | 69 | 161 | -64.2 | 179.5 | 0 | 0 | 0 | 109 | E39 | L37-E39 PolarHBondContact O-N 2.88Š| ||
| 38 | S | 40.6 | Very low | 40.8 | Very low | 96 Ų | 96 | 142.1 Ų | 142.1 | 67% | 0.671 | 76% | 0.764 | S | S | * | * | trans | -65.1 | 108 | 160.3 | 57.9 | 0 | 0 | 0 | 0 | 105.8 | A36 V40 | A36-S38 PolarHBondContact O-N 2.92Å; S38-V40 PolarHBondContact O-N 3.24Å | ||
| 39 | E | 38.9 | Very low | 40.3 | Very low | 180 Ų | 180 | 143.2 Ų | 143.2 | 84% | 0.841 | 76% | 0.764 | S | S | * | * | trans | -65.7 | 68.9 | 172.7 | -162.4 | 173.9 | -165.7 | 0 | 0 | 107.6 | L37 K41 | L37-E39 PolarHBondContact O-N 2.88Å; E39-K41 PolarHBondContact O-N 3.11Å | ||
| 40 | V | 38.9 | Very low | 39.7 | Very low | 116 Ų | 116 | 143.6 Ų | 143.6 | 70% | 0.703 | 77% | 0.767 | S | S | * | * | trans | -72.7 | 85 | 168.5 | -179.8 | 0 | 0 | 0 | 0 | 104.7 | S38 S42 | S38-V40 PolarHBondContact O-N 3.24Å; V40-S42 PolarHBondContact O-N 3.35Å | ||
| 41 | K | 43.5 | Very low | 39.5 | Very low | 185 Ų | 185 | 142.8 Ų | 142.8 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | -61.2 | 81.1 | 167.4 | -170.9 | 153.8 | -175.8 | 165.3 | 0 | 107.4 | E39 | E39-K41 PolarHBondContact O-N 3.11Š| ||
| 42 | S | 41.5 | Very low | 39.5 | Very low | 89 Ų | 89 | 138.3 Ų | 138.3 | 62% | 0.622 | 75% | 0.754 | S | S | * | * | trans | -61.8 | 139.7 | 172.1 | 49.5 | 0 | 0 | 0 | 0 | 108.4 | V40 | V40-S42 PolarHBondContact O-N 3.35Š| ||
| 43 | P | 36.6 | Very low | 39.5 | Very low | 114 Ų | 114 | 138.1 Ų | 138.1 | 74% | 0.74 | 76% | 0.756 | S | S | * | * | trans | -57.9 | 142.5 | -172.7 | -17.7 | 30.2 | 0 | 0 | 0 | 110.4 | F45 | P43-F45 PolarHBondContact O-N 2.94Š| ||
| 44 | A | 38.1 | Very low | 39.1 | Very low | 92 Ų | 92 | 141.9 Ų | 141.9 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | trans | -45.6 | 112 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | D46 | A44-D46 PolarHBondContact O-N 3.15Š| ||
| 45 | F | 35.4 | Very low | 38.8 | Very low | 203 Ų | 203 | 138.5 Ų | 138.5 | 89% | 0.89 | 76% | 0.763 | S | S | * | * | trans | -67.9 | 106.5 | 170.8 | -121.7 | -98.6 | 0 | 0 | 0 | 106.5 | P43 K47 | P43-F45 PolarHBondContact O-N 2.94Å; F45-K47 PolarHBondContact O-N 2.98Å; F45-K47 VanDerWaalsContact O-N 3.14Å | ||
| 46 | D | 38.9 | Very low | 38.8 | Very low | 133 Ų | 133 | 136.8 Ų | 136.8 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | trans | -55.7 | 117.7 | 175.8 | -86.1 | -40.9 | 0 | 0 | 0 | 108.9 | A44 N48 | A44-D46 PolarHBondContact O-N 3.15Å; D46-N48 PolarHBondContact O-N 3.18Å | ||
| 47 | K | 45.2 | Very low | 38.6 | Very low | 216 Ų | 216 | 137.1 Ų | 137.1 | 94% | 0.939 | 76% | 0.757 | S | S | * | * | trans | -69.2 | 77.5 | 175.8 | -63.4 | 179 | -179.5 | -179.4 | 0 | 108.9 | F45 | F45-K47 PolarHBondContact O-N 2.98Å; F45-K47 VanDerWaalsContact O-N 3.14Å | ||
| 48 | N | 34.1 | Very low | 38.7 | Very low | 126 Ų | 126 | 136 Ų | 136 | 67% | 0.674 | 75% | 0.753 | S | S | * | * | trans | -133.5 | 92.9 | 161.6 | 84.2 | 83.5 | 0 | 0 | 0 | 108.7 | D46 | D46-N48 PolarHBondContact O-N 3.18Š| ||
| 49 | E | 37 | Very low | 38.9 | Very low | 167 Ų | 167 | 139.5 Ų | 139.5 | 78% | 0.78 | 76% | 0.758 | S | S | * | * | trans | -168.1 | 104.7 | 135.1 | -109.7 | 176.5 | 174.7 | 0 | 0 | 107 | I51 | E49-I51 PolarHBondContact O-N 3.35Š| ||
| 50 | N | 36.5 | Very low | 39.2 | Very low | 152 Ų | 152 | 138 Ų | 138 | 81% | 0.813 | 76% | 0.756 | S | S | * | * | trans | -68.3 | 82.4 | 173.9 | -175.3 | 9.4 | 0 | 0 | 0 | 108.2 | ||||
| 51 | I | 41.5 | Very low | 39.6 | Very low | 136 Ų | 136 | 139.8 Ų | 139.8 | 70% | 0.697 | 76% | 0.758 | S | S | * | * | trans | -105.6 | 85.6 | 163.3 | -52.3 | 176.9 | 0 | 0 | 0 | 105.3 | E49 P53 | E49-I51 PolarHBondContact O-N 3.35Å; I51-P53 VanDerWaalsContact O-CD 3.31Å; I51-P53 WeakPolarHBondContact O-CD 3.38Å | ||
| 52 | S | 40.2 | Very low | 39.3 | Very low | 91 Ų | 91 | 134 Ų | 134 | 64% | 0.636 | 75% | 0.752 | S | S | * | * | trans | -52.8 | 121.6 | 165.2 | -79.2 | 0 | 0 | 0 | 0 | 108 | Q54 | S52-Q54 PolarHBondContact O-N 3.38Š| ||
| 53 | P | 41.2 | Very low | 39.4 | Very low | 120 Ų | 120 | 136.2 Ų | 136.2 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | trans | -61.8 | 113.2 | 163.8 | -13.1 | 28.2 | 0 | 0 | 0 | 105.9 | I51 A55 | I51-P53 VanDerWaalsContact O-CD 3.31Å; I51-P53 WeakPolarHBondContact O-CD 3.38Å; P53-A55 PolarHBondContact O-N 3.49Å | ||
| 54 | Q | 34.4 | Very low | 39.9 | Very low | 172 Ų | 172 | 139 Ų | 139 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | trans | -57.6 | 113.9 | 170.1 | -157.1 | 177.3 | -75.1 | 0 | 0 | 106.4 | S52 E56 | S52-Q54 PolarHBondContact O-N 3.38Å; Q54-E56 PolarHBondContact O-N 2.89Å | ||
| 55 | A | 35.7 | Very low | 40.4 | Very low | 92 Ų | 92 | 141.5 Ų | 141.5 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | trans | -64 | 99.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | P53 A57 | P53-A55 PolarHBondContact O-N 3.49Å; A55-A57 VanDerWaalsContact C-N 3.35Å; A55-A57 PolarHBondContact O-N 3.02Å | ||
| 56 | E | 37 | Very low | 40.7 | Very low | 155 Ų | 155 | 138 Ų | 138 | 72% | 0.724 | 76% | 0.755 | S | S | * | * | trans | -80.2 | 95.2 | 160.1 | -70.1 | -176.1 | -178.6 | 0 | 0 | 106.5 | Q54 D58 | Q54-E56 PolarHBondContact O-N 2.89Å; E56-D58 VanDerWaalsContact C-N 3.28Å; E56-D58 PolarHBondContact O-N 2.98Å; E56-D58 VanDerWaalsContact O-N 3.13Å | ||
| 57 | A | 37.3 | Very low | 41 | Very low | 91 Ų | 91 | 136.9 Ų | 136.9 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | trans | -75.9 | 80.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | A55 | A55-A57 VanDerWaalsContact C-N 3.35Å; A55-A57 PolarHBondContact O-N 3.02Å | ||
| 58 | D | 40.9 | Very low | 40.8 | Very low | 131 Ų | 131 | 134.8 Ų | 134.8 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | trans | -102.1 | 95 | 171 | -72.5 | -7.8 | 0 | 0 | 0 | 109.5 | E56 | E56-D58 VanDerWaalsContact C-N 3.28Å; E56-D58 PolarHBondContact O-N 2.98Å; E56-D58 VanDerWaalsContact O-N 3.13Å | ||
| 59 | E | 44.9 | Very low | 41.2 | Very low | 169 Ų | 169 | 136.6 Ų | 136.6 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | trans | 51.7 | 95.8 | 134.5 | -55.1 | -173.4 | 178 | 0 | 0 | 116 | ||||
| 60 | D | 43.7 | Very low | 41.3 | Very low | 147 Ų | 147 | 135.6 Ų | 135.6 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | 43.6 | 82.7 | 91.1 | -168.7 | 24.4 | 0 | 0 | 0 | 113.2 | G62 | D60-G62 PolarHBondContact OD1-N 3.48Š| |||
| 61 | M | 48.9 | Very low | 41.6 | Very low | 155 Ų | 155 | 137.6 Ų | 137.6 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | trans | -127.3 | 72.1 | 152.7 | -65.1 | -64.2 | -95.2 | 0 | 0 | 106.7 | D63 | M61-D63 PolarHBondContact O-N 3.04Š| ||
| 62 | G | 37.4 | Very low | 41.6 | Very low | 64 Ų | 64 | 135.5 Ų | 135.5 | 66% | 0.66 | 76% | 0.761 | S | S | * | * | trans | -66.3 | 79.3 | 159.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | D60 E64 | D60-G62 PolarHBondContact OD1-N 3.48Å; G62-E64 PolarHBondContact O-N 3.38Å | ||
| 63 | D | 43.3 | Very low | 41.5 | Very low | 134 Ų | 134 | 139.3 Ų | 139.3 | 72% | 0.717 | 77% | 0.769 | S | S | * | * | trans | -77.2 | 85.8 | 167.3 | -76.3 | -21 | 0 | 0 | 0 | 108.4 | M61 V65 | M61-D63 PolarHBondContact O-N 3.04Å; D63-V65 PolarHBondContact O-N 3.34Å | ||
| 64 | E | 45.4 | Very low | 41.4 | Very low | 174 Ų | 174 | 138.7 Ų | 138.7 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | trans | 23.7 | 87.5 | 137.6 | -158.2 | 167.6 | -159.1 | 0 | 0 | 114.6 | G62 D66 | G62-E64 PolarHBondContact O-N 3.38Å; E64-D66 PolarHBondContact O-N 3.45Å | ||
| 65 | V | 49.3 | Very low | 41.7 | Very low | 143 Ų | 143 | 137.2 Ų | 137.2 | 87% | 0.867 | 76% | 0.761 | S | S | * | * | trans | -68.9 | 87.9 | 159.4 | -81 | 0 | 0 | 0 | 0 | 107.8 | D63 S67 | D63-V65 PolarHBondContact O-N 3.34Å; V65-S67 PolarHBondContact O-N 3.3Å | ||
| 66 | D | 42.1 | Very low | 41.7 | Very low | 130 Ų | 130 | 139.6 Ų | 139.6 | 70% | 0.695 | 76% | 0.761 | S | S | * | * | trans | -51.5 | 110.6 | 177.6 | -163.9 | 8.5 | 0 | 0 | 0 | 110 | E64 M68 | E64-D66 PolarHBondContact O-N 3.45Å; D66-M68 PolarHBondContact O-N 3.05Å | ||
| 67 | S | 45.6 | Very low | 41.9 | Very low | 109 Ų | 109 | 137.4 Ų | 137.4 | 76% | 0.762 | 76% | 0.76 | S | S | * | * | trans | -81.8 | 80.6 | -171.3 | 60.5 | 0 | 0 | 0 | 0 | 110.3 | V65 | V65-S67 PolarHBondContact O-N 3.3Š| ||
| 68 | M | 40.9 | Very low | 41.9 | Very low | 172 Ų | 172 | 138.2 Ų | 138.2 | 85% | 0.847 | 77% | 0.767 | S | S | * | * | trans | -108.3 | 59.7 | 161.8 | -81.1 | -179.8 | 95.1 | 0 | 0 | 110.2 | D66 D70 | D66-M68 PolarHBondContact O-N 3.05Å; M68-D70 PolarHBondContact O-N 2.95Å | ||
| 69 | L | 41.8 | Very low | 41.8 | Very low | 165 Ų | 165 | 139.6 Ų | 139.6 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | trans | -86.2 | 86.7 | 157.5 | -90.4 | 168.8 | 0 | 0 | 0 | 107.3 | K71 | L69-K71 PolarHBondContact O-N 3.39Š| ||
| 70 | D | 39 | Very low | 41.4 | Very low | 145 Ų | 145 | 134.9 Ų | 134.9 | 78% | 0.775 | 77% | 0.769 | S | S | * | * | trans | -61.4 | 113.5 | 173.6 | -171 | 15.5 | 0 | 0 | 0 | 109.6 | M68 S72 | M68-D70 PolarHBondContact O-N 2.95Å; D70-S72 VanDerWaalsContact C-N 3.34Å; D70-S72 PolarHBondContact O-N 2.96Å | ||
| 71 | K | 43.9 | Very low | 41 | Very low | 194 Ų | 194 | 137.6 Ų | 137.6 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | trans | -85 | 75.3 | 178.2 | -66.6 | -176.6 | -179.8 | -179.5 | 0 | 108.6 | L69 E73 | L69-K71 PolarHBondContact O-N 3.39Å; K71-E73 PolarHBondContact O-N 3.22Å; K71-E73 VanDerWaalsContact O-N 3.1Å | ||
| 72 | S | 41.6 | Very low | 40.6 | Very low | 93 Ų | 93 | 137.1 Ų | 137.1 | 65% | 0.65 | 77% | 0.774 | S | S | * | * | trans | -81.4 | 89 | 167.4 | 67.2 | 0 | 0 | 0 | 0 | 109.3 | D70 V74 | D70-S72 VanDerWaalsContact C-N 3.34Å; D70-S72 PolarHBondContact O-N 2.96Å; S72-V74 PolarHBondContact O-N 2.95Å | ||
| 73 | E | 37.4 | Very low | 40.7 | Very low | 170 Ų | 170 | 141.8 Ų | 141.8 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | trans | -67.7 | 102.8 | 173.1 | -158.9 | 166.9 | -152.8 | 0 | 0 | 109 | K71 N75 | K71-E73 PolarHBondContact O-N 3.22Å; K71-E73 VanDerWaalsContact O-N 3.1Å; E73-N75 PolarHBondContact O-N 2.74Å; E73-N75 VanDerWaalsContact O-N 3.1Å | ||
| 74 | V | 39.2 | Very low | 40.3 | Very low | 108 Ų | 108 | 143 Ų | 143 | 66% | 0.655 | 79% | 0.785 | S | S | * | * | trans | -73.4 | 98.1 | 177.8 | 172.8 | 0 | 0 | 0 | 0 | 108.9 | S72 N76 | S72-V74 PolarHBondContact O-N 2.95Å; V74-N76 PolarHBondContact O-N 3Å | ||
| 75 | N | 39.7 | Very low | 40.4 | Very low | 141 Ų | 141 | 141.7 Ų | 141.7 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | trans | -75.6 | 105.1 | 167.1 | -74.7 | -54.6 | 0 | 0 | 0 | 109.4 | E73 P77 | E73-N75 PolarHBondContact O-N 2.74Å; E73-N75 VanDerWaalsContact O-N 3.1Å; N75-P77 WeakPolarHBondContact O-CD 3.45Å | ||
| 76 | N | 36 | Very low | 40 | Very low | 142 Ų | 142 | 140.1 Ų | 140.1 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | trans | -94.5 | 109.8 | 168.2 | -75.5 | -37.9 | 0 | 0 | 0 | 109.2 | V74 A78 | V74-N76 PolarHBondContact O-N 3Å; N76-A78 PolarHBondContact O-N 3.27Å | ||
| 77 | P | 41.2 | Very low | 40.3 | Very low | 109 Ų | 109 | 138.9 Ų | 138.9 | 71% | 0.708 | 78% | 0.777 | S | S | * | * | trans | -82.4 | 116.1 | 171.2 | 23.4 | -12.8 | 0 | 0 | 0 | 109.4 | N75 I79 | N75-P77 WeakPolarHBondContact O-CD 3.45Å; P77-I79 PolarHBondContact O-N 2.88Å | ||
| 78 | A | 36.8 | Very low | 40.1 | Very low | 108 Ų | 108 | 142.4 Ų | 142.4 | 89% | 0.893 | 78% | 0.781 | S | S | * | * | trans | -69.1 | 104.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | N76 | N76-A78 PolarHBondContact O-N 3.27Š| ||
| 79 | I | 39.3 | Very low | 40.3 | Very low | 159 Ų | 159 | 140.4 Ų | 140.4 | 82% | 0.815 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 129.8 | 174.3 | -84.7 | 169.6 | 0 | 0 | 0 | 110.3 | P77 | P77-I79 PolarHBondContact O-N 2.88Š|
| 80 | G | 36.4 | Very low | 40.4 | Very low | 71 Ų | 71 | 141.9 Ų | 141.9 | 73% | 0.732 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 157.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 81 | K | 36 | Very low | 40.9 | Very low | 204 Ų | 204 | 137.7 Ų | 137.7 | 89% | 0.887 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 124.8 | 178.5 | -60 | 163.5 | 176.9 | 175.9 | 0 | 109.6 | ||
| 82 | D | 39.2 | Very low | 41.5 | Very low | 144 Ų | 144 | 133.9 Ų | 133.9 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | trans | -154.8 | 119.8 | 145.4 | -114.1 | -12 | 0 | 0 | 0 | 111.5 | ||||
| 83 | E | 40.6 | Very low | 42.4 | Very low | 163 Ų | 163 | 138.1 Ų | 138.1 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | trans | 49.7 | 89.6 | 141.7 | -61.1 | -174.8 | 169.3 | 0 | 0 | 120.1 | I85 | E83-I85 PolarHBondContact O-N 3.48Š| ||
| 84 | N | 35.6 | Very low | 43.9 | Very low | 158 Ų | 158 | 136.5 Ų | 136.5 | 85% | 0.845 | 76% | 0.764 | S | S | * | * | 19.7 | 72.8 | 125.1 | -158.9 | -7.6 | 0 | 0 | 0 | 117.4 | |||||
| 85 | I | 46 | Very low | 45.4 | Very low | 148 Ų | 148 | 137 Ų | 137 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | trans | -98.9 | 120.8 | 150.8 | -55.6 | 175.7 | 0 | 0 | 0 | 104.5 | E83 P87 | E83-I85 PolarHBondContact O-N 3.48Å; I85-P87 HydrophobicContact CG2-CG 4.16Å; I85-P87 WeakPolarHBondContact O-CD 3.44Å | ||
| 86 | S | 42 | Very low | 47.2 | Very low | 109 Ų | 109 | 132.5 Ų | 132.5 | 76% | 0.762 | 75% | 0.747 | S | S | * | * | trans | -97.3 | 95.1 | 172.5 | 176.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 87 | P | 48.2 | Very low | 49.3 | Very low | 105 Ų | 105 | 132.7 Ų | 132.7 | 68% | 0.682 | 74% | 0.743 | S | S | * | * | trans | -87.8 | 130.2 | 175.9 | -2.1 | 25.5 | 0 | 0 | 0 | 108.5 | I85 V89 | I85-P87 HydrophobicContact CG2-CG 4.16Å; I85-P87 WeakPolarHBondContact O-CD 3.44Å; P87-V89 PolarHBondContact O-N 3.28Å | ||
| 88 | Q | 41.2 | Very low | 51.3 | Low | 182 Ų | 182 | 132.1 Ų | 132.1 | 85% | 0.85 | 73% | 0.731 | S | S | * | * | trans | -39.3 | 124.3 | 177.9 | -66.4 | 173.1 | -6.3 | 0 | 0 | 114.4 | K90 | Q88-K90 PolarHBondContact O-N 3.45Š| ||
| 89 | V | 44.6 | Very low | 53.6 | Low | 131 Ų | 131 | 130.8 Ų | 130.8 | 79% | 0.794 | 71% | 0.712 | S | S | * | * | trans | -56.5 | 99 | 169.8 | 179.5 | 0 | 0 | 0 | 0 | 109.7 | P87 | P87-V89 PolarHBondContact O-N 3.28Š| ||
| 90 | K | 44.7 | Very low | 55.8 | Low | 196 Ų | 196 | 125 Ų | 125 | 85% | 0.852 | 69% | 0.691 | S | S | * | * | trans | -149.2 | 91.8 | 175.7 | -153.8 | 172.6 | -172.3 | 178.5 | 0 | 110.5 | Q88 | Q88-K90 PolarHBondContact O-N 3.45Š| ||
| 91 | G | 48.8 | Very low | 58.2 | Low | 56 Ų | 56 | 123.4 Ų | 123.4 | 58% | 0.577 | 67% | 0.669 | S | S | * | * | trans | 106.2 | 36.7 | 165.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | E93 | G91-E93 PolarHBondContact O-N 3.13Š| ||
| 92 | D | 56.1 | Low | 60.6 | Low | 114 Ų | 114 | 118.7 Ų | 118.7 | 61% | 0.61 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -5.1 | 176 | -65.6 | -28.3 | 0 | 0 | 0 | 113.8 | D94 G96 | D92-D94 PolarHBondContact O-N 3.27Å; D92-G96 PolarHBondContact O-N 3.24Å |
| 93 | E | 61.4 | Low | 63.1 | Low | 182 Ų | 182 | 117.3 Ų | 117.3 | 85% | 0.85 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -66.1 | -35.6 | -176.3 | -66.4 | -177.4 | -173.9 | 0 | 0 | 113 | G91 G96 H97 | G91-E93 PolarHBondContact O-N 3.13Å; E93-G96 PolarHBondContact O-N 2.98Å; E93-H97 PolarHBondContact O-N 3.08Å |
| 94 | D | 68.1 | Low | 65.5 | Low | 136 Ų | 136 | 115.5 Ų | 115.5 | 73% | 0.727 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -71 | -43.3 | -179.4 | -166.8 | 28.5 | 0 | 0 | 0 | 111.6 | D92 G96 H97 E98 | D92-D94 PolarHBondContact O-N 3.27Å; D94-G96 VanDerWaalsContact C-N 3.25Å; D94-G96 PolarHBondContact O-N 3Å; D94-H97 PolarHBondContact O-N 2.95Å; D94-E98 PolarHBondContact O-N 3.22Å |
| 95 | M | 71.3 | Confident | 68.2 | Low | 119 Ų | 119 | 114.5 Ų | 114.5 | 59% | 0.586 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -62.5 | -34.4 | 172.9 | -62 | -62.1 | -118.1 | 0 | 0 | 111.5 | H97 E98 V99 | M95-H97 PolarHBondContact O-N 3.47Å; M95-E98 PolarHBondContact O-N 3.46Å; M95-V99 WeakPolarHBondContact O-CB 3.33Å; M95-V99 WeakPolarHBondContact O-CG2 3.47Å; M95-V99 PolarHBondContact O-N 3.43Å |
| 96 | G | 78 | Confident | 70.2 | Confident | 46 Ų | 46 | 110.2 Ų | 110.2 | 47% | 0.474 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -61.8 | -39.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | D92 E93 D94 G100 | D92-G96 PolarHBondContact O-N 3.24Å; E93-G96 PolarHBondContact O-N 2.98Å; D94-G96 VanDerWaalsContact C-N 3.25Å; D94-G96 PolarHBondContact O-N 3Å; G96-G100 PolarHBondContact O-N 3.33Å |
| 97 | H | 80 | Confident | 72.7 | Confident | 146 Ų | 146 | 106.8 Ų | 106.8 | 68% | 0.676 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -72 | -42.1 | 177.1 | -170.6 | -62.4 | 0 | 0 | 0 | 111.9 | E93 D94 M95 G100 S101 | E93-H97 PolarHBondContact O-N 3.08Å; D94-H97 PolarHBondContact O-N 2.95Å; M95-H97 PolarHBondContact O-N 3.47Å; H97-G100 PolarHBondContact O-N 3.48Å; H97-S101 WeakPolarHBondContact O-CB 3.48Å; H97-S101 PolarHBondContact O-N 3.04Å |
| 98 | E | 83.4 | Confident | 74.8 | Confident | 97 Ų | 97 | 105.3 Ų | 105.3 | 45% | 0.453 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -60 | -51.7 | 176.1 | -176.6 | 174.5 | -174.4 | 0 | 0 | 110.8 | D94 M95 G100 S101 M102 | D94-E98 PolarHBondContact O-N 3.22Å; M95-E98 PolarHBondContact O-N 3.46Å; E98-G100 VanDerWaalsContact C-N 3.33Å; E98-G100 PolarHBondContact O-N 2.96Å; E98-S101 PolarHBondContact O-N 3.48Å; E98-S101 VanDerWaalsContact O-N 3.14Å; E98-S101 PolarHBondContact O-OG 3.21Å; E98-M102 HydrophobicContact CG-CE 3.69Å; E98-M102 HydrophobicContact CG-SD 4.36Å; E98-M102 WeakPolarHBondContact O-CG 3.4Å; E98-M102 PolarHBondContact O-N 3.21Å; E98-M102 WeakPolarHBondContact OE1-CE 3.34Å |
| 99 | V | 84.7 | Confident | 77.4 | Confident | 80 Ų | 80 | 100.9 Ų | 100.9 | 49% | 0.485 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -59.4 | -43.6 | 177.2 | 172.6 | 0 | 0 | 0 | 0 | 111 | M95 S101 M102 L103 | M95-V99 WeakPolarHBondContact O-CB 3.33Å; M95-V99 WeakPolarHBondContact O-CG2 3.47Å; M95-V99 PolarHBondContact O-N 3.43Å; V99-S101 VanDerWaalsContact C-N 3.34Å; V99-S101 PolarHBondContact O-N 2.98Å; V99-M102 PolarHBondContact O-N 3.07Å; V99-L103 HydrophobicContact CG1-CD1 3.97Å; V99-L103 HydrophobicContact CG1-CG 4.3Å; V99-L103 WeakPolarHBondContact O-CB 3.4Å; V99-L103 VanDerWaalsContact O-CG 3.28Å; V99-L103 WeakPolarHBondContact O-CG 3.4Å; V99-L103 PolarHBondContact O-N 3.34Å |
| 100 | G | 86.1 | Confident | 79.8 | Confident | 37 Ų | 37 | 99.2 Ų | 99.2 | 38% | 0.381 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -57.5 | -44.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | G96 H97 E98 L103 D104 | G96-G100 PolarHBondContact O-N 3.33Å; H97-G100 PolarHBondContact O-N 3.48Å; E98-G100 VanDerWaalsContact C-N 3.33Å; E98-G100 PolarHBondContact O-N 2.96Å; G100-L103 PolarHBondContact O-N 3.39Å; G100-D104 PolarHBondContact O-N 3.48Å |
| 101 | S | 86 | Confident | 82.3 | Confident | 38 Ų | 38 | 96.6 Ų | 96.6 | 27% | 0.266 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68.2 | -34.5 | 177.9 | 79.8 | 0 | 0 | 0 | 0 | 113.4 | H97 E98 V99 K105 | H97-S101 WeakPolarHBondContact O-CB 3.48Å; H97-S101 PolarHBondContact O-N 3.04Å; E98-S101 PolarHBondContact O-N 3.48Å; E98-S101 VanDerWaalsContact O-N 3.14Å; E98-S101 PolarHBondContact O-OG 3.21Å; V99-S101 VanDerWaalsContact C-N 3.34Å; V99-S101 PolarHBondContact O-N 2.98Å; S101-K105 VanDerWaalsContact O-CG 3.3Å; S101-K105 WeakPolarHBondContact O-CG 3.45Å; S101-K105 PolarHBondContact O-N 2.89Å; S101-K105 VanDerWaalsContact O-N 3.16Å |
| 102 | M | 87.6 | Confident | 84.6 | Confident | 105 Ų | 105 | 98.7 Ų | 98.7 | 52% | 0.517 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69 | -39.5 | 174.9 | -71.3 | -177.5 | 178 | 0 | 0 | 111.4 | E98 V99 S106 | E98-M102 HydrophobicContact CG-CE 3.69Å; E98-M102 HydrophobicContact CG-SD 4.36Å; E98-M102 WeakPolarHBondContact O-CG 3.4Å; E98-M102 PolarHBondContact O-N 3.21Å; E98-M102 WeakPolarHBondContact OE1-CE 3.34Å; V99-M102 PolarHBondContact O-N 3.07Å; M102-S106 VanDerWaalsContact O-CB 3.24Å; M102-S106 WeakPolarHBondContact O-CB 3.42Å; M102-S106 PolarHBondContact O-N 3.19Å |
| 103 | L | 90.8 | Very high | 86.5 | Confident | 115 Ų | 115 | 97.5 Ų | 97.5 | 60% | 0.602 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.3 | -39.8 | 176.4 | -71.2 | 175.1 | 0 | 0 | 0 | 112.2 | V99 G100 S106 G107 | V99-L103 HydrophobicContact CG1-CD1 3.97Å; V99-L103 HydrophobicContact CG1-CG 4.3Å; V99-L103 WeakPolarHBondContact O-CB 3.4Å; V99-L103 VanDerWaalsContact O-CG 3.28Å; V99-L103 WeakPolarHBondContact O-CG 3.4Å; V99-L103 PolarHBondContact O-N 3.34Å; G100-L103 PolarHBondContact O-N 3.39Å; L103-S106 PolarHBondContact O-N 3.17Å; L103-G107 PolarHBondContact O-N 3.36Å |
| 104 | D | 90.9 | Very high | 88.2 | Confident | 126 Ų | 126 | 93.5 Ų | 93.5 | 67% | 0.674 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.6 | -47.5 | 176.6 | -171.4 | 50.4 | 0 | 0 | 0 | 111.5 | G100 S106 G107 D108 | G100-D104 PolarHBondContact O-N 3.48Å; D104-S106 PolarHBondContact O-N 2.93Å; D104-G107 PolarHBondContact O-N 3.39Å; D104-D108 PolarHBondContact O-N 2.87Å |
| 105 | K | 91.4 | Very high | 89.6 | Confident | 137 Ų | 137 | 90.5 Ų | 90.5 | 60% | 0.596 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -58.7 | -47.2 | 173.7 | -71.2 | 170.9 | -175.6 | 171.1 | 0 | 112.1 | S101 G107 D108 D109 | S101-K105 VanDerWaalsContact O-CG 3.3Å; S101-K105 WeakPolarHBondContact O-CG 3.45Å; S101-K105 PolarHBondContact O-N 2.89Å; S101-K105 VanDerWaalsContact O-N 3.16Å; K105-G107 VanDerWaalsContact C-N 3.31Å; K105-G107 PolarHBondContact O-N 3.14Å; K105-D108 PolarHBondContact O-N 3.38Å; K105-D109 PolarHBondContact O-N 3.04Å |
| 106 | S | 90 | Very high | 90.8 | Very high | 57 Ų | 57 | 90.4 Ų | 90.4 | 40% | 0.399 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.6 | -41.4 | 176.4 | -177.6 | 0 | 0 | 0 | 0 | 111.6 | M102 L103 D104 D109 I110 | M102-S106 VanDerWaalsContact O-CB 3.24Å; M102-S106 WeakPolarHBondContact O-CB 3.42Å; M102-S106 PolarHBondContact O-N 3.19Å; L103-S106 PolarHBondContact O-N 3.17Å; D104-S106 PolarHBondContact O-N 2.93Å; S106-D109 PolarHBondContact O-N 3.42Å; S106-I110 WeakPolarHBondContact O-CB 3.47Å; S106-I110 WeakPolarHBondContact O-CD1 3.46Å; S106-I110 WeakPolarHBondContact O-CG1 3.5Å; S106-I110 PolarHBondContact O-N 3.27Å |
| 107 | G | 92.9 | Very high | 91.8 | Very high | 37 Ų | 37 | 93.9 Ų | 93.9 | 38% | 0.381 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.1 | -43.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | L103 D104 K105 I110 Y111 | L103-G107 PolarHBondContact O-N 3.36Å; D104-G107 PolarHBondContact O-N 3.39Å; K105-G107 VanDerWaalsContact C-N 3.31Å; K105-G107 PolarHBondContact O-N 3.14Å; G107-I110 PolarHBondContact O-N 3.43Å; G107-Y111 WeakPolarHBondContact O-CB 3.39Å; G107-Y111 PolarHBondContact O-N 2.95Å |
| 108 | D | 93.6 | Very high | 92.6 | Very high | 74 Ų | 74 | 92.5 Ų | 92.5 | 40% | 0.396 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.6 | -43 | 175.7 | -172.7 | 34.1 | 0 | 0 | 0 | 111.8 | D104 K105 I110 Y111 K112 | D104-D108 PolarHBondContact O-N 2.87Å; K105-D108 PolarHBondContact O-N 3.38Å; D108-I110 PolarHBondContact O-N 2.98Å; D108-Y111 PolarHBondContact O-N 3.25Å; D108-K112 VanDerWaalsContact CG-CE 3.46Å; D108-K112 WeakPolarHBondContact O-CG 3.37Å; D108-K112 PolarHBondContact O-N 3.27Å; D108-K112 WeakPolarHBondContact OD1-CE 3.48Å; D108-K112 IonicContact OD1-NZ 2.62Å; D108-K112 WeakPolarHBondContact OD2-CE 3.35Å; D108-K112 IonicContact OD2-NZ 2.87Å; D108-K112 PolarHBondContact OD2-NZ 2.93Å |
| 109 | D | 94.5 | Very high | 93.3 | Very high | 90 Ų | 90 | 92.7 Ų | 92.7 | 48% | 0.481 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.8 | -41 | 176.3 | -72.5 | -18.8 | 0 | 0 | 0 | 112 | K105 S106 T113 | K105-D109 PolarHBondContact O-N 3.04Å; S106-D109 PolarHBondContact O-N 3.42Å; D109-T113 VanDerWaalsContact O-CB 3.31Å; D109-T113 WeakPolarHBondContact O-CB 3.47Å; D109-T113 PolarHBondContact O-N 2.95Å; D109-T113 PolarHBondContact O-OG1 3.41Å |
| 110 | I | 95.5 | Very high | 94 | Very high | 96 Ų | 96 | 96.7 Ų | 96.7 | 49% | 0.492 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.5 | -46.8 | 172.3 | -69.6 | 163.1 | 0 | 0 | 0 | 110.1 | S106 G107 D108 T113 L114 | S106-I110 WeakPolarHBondContact O-CB 3.47Å; S106-I110 WeakPolarHBondContact O-CD1 3.46Å; S106-I110 WeakPolarHBondContact O-CG1 3.5Å; S106-I110 PolarHBondContact O-N 3.27Å; G107-I110 PolarHBondContact O-N 3.43Å; D108-I110 PolarHBondContact O-N 2.98Å; I110-T113 PolarHBondContact O-N 3.05Å; I110-L114 HydrophobicContact CG2-CD1 3.82Å; I110-L114 HydrophobicContact CG2-CG 4.32Å; I110-L114 WeakPolarHBondContact O-CB 3.4Å; I110-L114 VanDerWaalsContact O-CG 3.29Å; I110-L114 WeakPolarHBondContact O-CG 3.44Å; I110-L114 PolarHBondContact O-N 3.1Å |
| 111 | Y | 96.6 | Very high | 94.6 | Very high | 141 Ų | 141 | 98.7 Ų | 98.7 | 55% | 0.553 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -60.9 | -47.7 | 179.9 | 178.1 | -93.3 | 0 | 0 | 0 | 111.9 | G107 D108 L114 H115 | G107-Y111 WeakPolarHBondContact O-CB 3.39Å; G107-Y111 PolarHBondContact O-N 2.95Å; D108-Y111 PolarHBondContact O-N 3.25Å; Y111-L114 PolarHBondContact O-N 3.36Å; Y111-H115 WeakPolarHBondContact O-CB 3.37Å; Y111-H115 PolarHBondContact O-N 2.93Å |
| 112 | K | 96.7 | Very high | 95.1 | Very high | 99 Ų | 99 | 101.2 Ų | 101.2 | 43% | 0.43 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.6 | -47.3 | 176.8 | -72.8 | 171 | -171 | 156.9 | 0 | 111.6 | D108 L114 H115 I116 | D108-K112 VanDerWaalsContact CG-CE 3.46Å; D108-K112 WeakPolarHBondContact O-CG 3.37Å; D108-K112 PolarHBondContact O-N 3.27Å; D108-K112 WeakPolarHBondContact OD1-CE 3.48Å; D108-K112 IonicContact OD1-NZ 2.62Å; D108-K112 WeakPolarHBondContact OD2-CE 3.35Å; D108-K112 IonicContact OD2-NZ 2.87Å; D108-K112 PolarHBondContact OD2-NZ 2.93Å; K112-L114 PolarHBondContact O-N 3.47Å; K112-H115 WeakPolarHBondContact O-CB 3.44Å; K112-H115 PolarHBondContact O-N 3.29Å; K112-I116 WeakPolarHBondContact O-CG1 3.46Å; K112-I116 PolarHBondContact O-N 3.35Å |
| 113 | T | 97 | Very high | 95.6 | Very high | 90 Ų | 90 | 100 Ų | 100 | 55% | 0.552 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.2 | -46.6 | 178.8 | -59 | 0 | 0 | 0 | 0 | 111.2 | D109 I110 H115 I116 K117 | D109-T113 VanDerWaalsContact O-CB 3.31Å; D109-T113 WeakPolarHBondContact O-CB 3.47Å; D109-T113 PolarHBondContact O-N 2.95Å; D109-T113 PolarHBondContact O-OG1 3.41Å; I110-T113 PolarHBondContact O-N 3.05Å; T113-H115 VanDerWaalsContact C-N 3.33Å; T113-H115 PolarHBondContact O-N 3.01Å; T113-I116 PolarHBondContact O-N 2.93Å; T113-K117 WeakPolarHBondContact O-CB 3.33Å; T113-K117 PolarHBondContact O-N 2.96Å |
| 114 | L | 97.1 | Very high | 95.9 | Very high | 97 Ų | 97 | 101.4 Ų | 101.4 | 51% | 0.508 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.4 | -37.1 | 176.4 | -71.9 | 175.9 | 0 | 0 | 0 | 112.4 | I110 Y111 K112 R118 | I110-L114 HydrophobicContact CG2-CD1 3.82Å; I110-L114 HydrophobicContact CG2-CG 4.32Å; I110-L114 WeakPolarHBondContact O-CB 3.4Å; I110-L114 VanDerWaalsContact O-CG 3.29Å; I110-L114 WeakPolarHBondContact O-CG 3.44Å; I110-L114 PolarHBondContact O-N 3.1Å; Y111-L114 PolarHBondContact O-N 3.36Å; K112-L114 PolarHBondContact O-N 3.47Å; L114-R118 WeakPolarHBondContact O-CB 3.33Å; L114-R118 PolarHBondContact O-N 3.39Å |
| 115 | H | 97 | Very high | 96.2 | Very high | 73 Ų | 73 | 100 Ų | 100 | 34% | 0.338 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.6 | -46.4 | 176.8 | -168.2 | 87.8 | 0 | 0 | 0 | 111.8 | Y111 K112 T113 R118 K119 | Y111-H115 WeakPolarHBondContact O-CB 3.37Å; Y111-H115 PolarHBondContact O-N 2.93Å; K112-H115 WeakPolarHBondContact O-CB 3.44Å; K112-H115 PolarHBondContact O-N 3.29Å; T113-H115 VanDerWaalsContact C-N 3.33Å; T113-H115 PolarHBondContact O-N 3.01Å; H115-R118 PolarHBondContact O-N 3.29Å; H115-K119 WeakPolarHBondContact O-CG 3.49Å; H115-K119 PolarHBondContact O-N 3.45Å |
| 116 | I | 97.3 | Very high | 96.5 | Very high | 117 Ų | 117 | 100.2 Ų | 100.2 | 60% | 0.6 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.4 | -49 | 175.8 | -67.3 | 165 | 0 | 0 | 0 | 110.1 | K112 T113 R118 K119 W120 | K112-I116 WeakPolarHBondContact O-CG1 3.46Å; K112-I116 PolarHBondContact O-N 3.35Å; T113-I116 PolarHBondContact O-N 2.93Å; I116-R118 VanDerWaalsContact C-N 3.31Å; I116-R118 PolarHBondContact O-N 3.42Å; I116-K119 PolarHBondContact O-N 2.87Å; I116-K119 VanDerWaalsContact O-N 3.13Å; I116-W120 PolarHBondContact O-N 3.05Å |
| 117 | K | 98.3 | Very high | 96.9 | Very high | 119 Ų | 119 | 101.7 Ų | 101.7 | 52% | 0.517 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.6 | -41.8 | 178.2 | -173.6 | 168 | -172.4 | -85.8 | 0 | 112 | T113 M121 | T113-K117 WeakPolarHBondContact O-CB 3.33Å; T113-K117 PolarHBondContact O-N 2.96Å; K117-M121 HydrophobicContact CG-CE 4.29Å; K117-M121 WeakPolarHBondContact O-CG 3.46Å; K117-M121 PolarHBondContact O-N 3.4Å |
| 118 | R | 98.1 | Very high | 97.1 | Very high | 118 Ų | 118 | 102.2 Ų | 102.2 | 45% | 0.445 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.9 | -48.4 | 174.7 | -174.7 | -172.7 | -58.9 | 139.3 | 4.7 | 111.3 | L114 H115 I116 W120 M121 E122 | L114-R118 WeakPolarHBondContact O-CB 3.33Å; L114-R118 PolarHBondContact O-N 3.39Å; H115-R118 PolarHBondContact O-N 3.29Å; I116-R118 VanDerWaalsContact C-N 3.31Å; I116-R118 PolarHBondContact O-N 3.42Å; R118-W120 VanDerWaalsContact C-N 3.34Å; R118-W120 PolarHBondContact O-N 3.4Å; R118-M121 PolarHBondContact O-N 3.45Å; R118-E122 HydrophobicContact CG-CG 4.41Å; R118-E122 WeakPolarHBondContact CG-OE1 3.42Å; R118-E122 WeakPolarHBondContact O-CB 3.34Å; R118-E122 WeakPolarHBondContact O-CG 3.5Å; R118-E122 PolarHBondContact O-N 3.28Å |
| 119 | K | 98.2 | Very high | 97.2 | Very high | 101 Ų | 101 | 105.2 Ų | 105.2 | 44% | 0.439 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.5 | -40.4 | 179.9 | -75.8 | -71.2 | 165.3 | -147.3 | 0 | 112.9 | H115 I116 E122 T123 | H115-K119 WeakPolarHBondContact O-CG 3.49Å; H115-K119 PolarHBondContact O-N 3.45Å; I116-K119 PolarHBondContact O-N 2.87Å; I116-K119 VanDerWaalsContact O-N 3.13Å; K119-E122 IonicContact NZ-OE2 3.7Å; K119-E122 PolarHBondContact NZ-OE2 3.11Å; K119-T123 WeakPolarHBondContact O-CB 3.45Å; K119-T123 PolarHBondContact O-N 2.89Å; K119-T123 VanDerWaalsContact O-N 3.07Å; K119-T123 PolarHBondContact O-OG1 3.47Å |
| 120 | W | 97.9 | Very high | 97.3 | Very high | 163 Ų | 163 | 107 Ų | 107 | 62% | 0.617 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.4 | -49.5 | 173.8 | 177.6 | 84.3 | 0 | 0 | 0 | 111.3 | I116 R118 E122 T123 Y124 | I116-W120 PolarHBondContact O-N 3.05Å; R118-W120 VanDerWaalsContact C-N 3.34Å; R118-W120 PolarHBondContact O-N 3.4Å; W120-E122 PolarHBondContact O-N 3.36Å; W120-T123 PolarHBondContact O-N 2.92Å; W120-Y124 WeakPolarHBondContact O-CB 3.26Å; W120-Y124 PolarHBondContact O-N 2.9Å |
| 121 | M | 98.2 | Very high | 97.4 | Very high | 79 Ų | 79 | 106 Ų | 106 | 39% | 0.389 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.8 | -44.2 | 177.9 | -70.5 | -175.2 | -55.5 | 0 | 0 | 112.7 | K117 R118 T123 Y124 V125 | K117-M121 HydrophobicContact CG-CE 4.29Å; K117-M121 WeakPolarHBondContact O-CG 3.46Å; K117-M121 PolarHBondContact O-N 3.4Å; R118-M121 PolarHBondContact O-N 3.45Å; M121-T123 VanDerWaalsContact C-N 3.29Å; M121-T123 PolarHBondContact O-N 3.29Å; M121-Y124 PolarHBondContact O-N 3.34Å; M121-V125 WeakPolarHBondContact O-CB 3.43Å; M121-V125 VanDerWaalsContact O-CG2 3.3Å; M121-V125 WeakPolarHBondContact O-CG2 3.33Å; M121-V125 PolarHBondContact O-N 3.48Å |
| 122 | E | 97.7 | Very high | 97.4 | Very high | 92 Ų | 92 | 102.8 Ų | 102.8 | 43% | 0.43 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -56.5 | -45.1 | 176.6 | -77.4 | 172 | -173.8 | 0 | 0 | 111.2 | R118 K119 W120 K126 | R118-E122 HydrophobicContact CG-CG 4.41Å; R118-E122 WeakPolarHBondContact CG-OE1 3.42Å; R118-E122 WeakPolarHBondContact O-CB 3.34Å; R118-E122 WeakPolarHBondContact O-CG 3.5Å; R118-E122 PolarHBondContact O-N 3.28Å; K119-E122 IonicContact NZ-OE2 3.7Å; K119-E122 PolarHBondContact NZ-OE2 3.11Å; W120-E122 PolarHBondContact O-N 3.36Å; E122-K126 VanDerWaalsContact O-CB 3.28Å; E122-K126 WeakPolarHBondContact O-CB 3.3Å; E122-K126 PolarHBondContact O-N 2.97Å; E122-K126 VanDerWaalsContact O-N 3.08Å |
| 123 | T | 97.5 | Very high | 97.4 | Very high | 80 Ų | 80 | 101.1 Ų | 101.1 | 49% | 0.491 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.9 | -47.3 | 179.9 | -54.5 | 0 | 0 | 0 | 0 | 111.2 | K119 W120 M121 V125 K126 E127 | K119-T123 WeakPolarHBondContact O-CB 3.45Å; K119-T123 PolarHBondContact O-N 2.89Å; K119-T123 VanDerWaalsContact O-N 3.07Å; K119-T123 PolarHBondContact O-OG1 3.47Å; W120-T123 PolarHBondContact O-N 2.92Å; M121-T123 VanDerWaalsContact C-N 3.29Å; M121-T123 PolarHBondContact O-N 3.29Å; T123-V125 PolarHBondContact O-N 3.04Å; T123-K126 PolarHBondContact O-N 2.9Å; T123-E127 HydrophobicContact CG2-CG 4.5Å; T123-E127 PolarHBondContact O-N 2.95Å |
| 124 | Y | 97.3 | Very high | 97.4 | Very high | 143 Ų | 143 | 102 Ų | 102 | 56% | 0.561 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -57.1 | -48.6 | 178 | 175.1 | -96.5 | 0 | 0 | 0 | 111.8 | W120 M121 K126 E127 S128 | W120-Y124 WeakPolarHBondContact O-CB 3.26Å; W120-Y124 PolarHBondContact O-N 2.9Å; M121-Y124 PolarHBondContact O-N 3.34Å; Y124-K126 VanDerWaalsContact C-N 3.34Å; Y124-K126 PolarHBondContact O-N 3.26Å; Y124-E127 PolarHBondContact O-N 3.48Å; Y124-S128 WeakPolarHBondContact O-CB 3.45Å; Y124-S128 PolarHBondContact O-N 2.92Å; Y124-S128 PolarHBondContact O-OG 3.26Å |
| 125 | V | 97.7 | Very high | 97.4 | Very high | 96 Ų | 96 | 104.4 Ų | 104.4 | 58% | 0.582 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.3 | -42.9 | 178 | 170.5 | 0 | 0 | 0 | 0 | 110.9 | M121 T123 S128 F129 | M121-V125 WeakPolarHBondContact O-CB 3.43Å; M121-V125 VanDerWaalsContact O-CG2 3.3Å; M121-V125 WeakPolarHBondContact O-CG2 3.33Å; M121-V125 PolarHBondContact O-N 3.48Å; T123-V125 PolarHBondContact O-N 3.04Å; V125-S128 PolarHBondContact O-N 3.45Å; V125-F129 VanDerWaalsContact O-CB 3.3Å; V125-F129 WeakPolarHBondContact O-CB 3.35Å; V125-F129 PolarHBondContact O-N 3.41Å |
| 126 | K | 97.7 | Very high | 97.4 | Very high | 143 Ų | 143 | 105.7 Ų | 105.7 | 62% | 0.622 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.1 | -49 | 179.5 | -177.9 | -178.1 | 175.9 | -172.6 | 0 | 112.4 | E122 T123 Y124 F129 K130 | E122-K126 VanDerWaalsContact O-CB 3.28Å; E122-K126 WeakPolarHBondContact O-CB 3.3Å; E122-K126 PolarHBondContact O-N 2.97Å; E122-K126 VanDerWaalsContact O-N 3.08Å; T123-K126 PolarHBondContact O-N 2.9Å; Y124-K126 VanDerWaalsContact C-N 3.34Å; Y124-K126 PolarHBondContact O-N 3.26Å; K126-F129 PolarHBondContact O-N 3.03Å; K126-K130 WeakPolarHBondContact O-CB 3.43Å; K126-K130 PolarHBondContact O-N 2.89Å |
| 127 | E | 97.5 | Very high | 97.4 | Very high | 88 Ų | 88 | 105 Ų | 105 | 41% | 0.411 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69.8 | -38.1 | 179.5 | -66.7 | -52.6 | 131.9 | 0 | 0 | 111.7 | T123 Y124 F129 K130 C131 | T123-E127 HydrophobicContact CG2-CG 4.5Å; T123-E127 PolarHBondContact O-N 2.95Å; Y124-E127 PolarHBondContact O-N 3.48Å; E127-F129 PolarHBondContact O-N 3.47Å; E127-K130 PolarHBondContact O-N 3.28Å; E127-K130 IonicContact OE2-NZ 2.62Å; E127-C131 WeakPolarHBondContact O-CB 3.49Å; E127-C131 PolarHBondContact O-N 2.97Å |
| 128 | S | 96.9 | Very high | 97.4 | Very high | 48 Ų | 48 | 106.3 Ų | 106.3 | 34% | 0.336 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.4 | -46.7 | 174.1 | -64 | 0 | 0 | 0 | 0 | 111.6 | Y124 V125 S132 | Y124-S128 WeakPolarHBondContact O-CB 3.45Å; Y124-S128 PolarHBondContact O-N 2.92Å; Y124-S128 PolarHBondContact O-OG 3.26Å; V125-S128 PolarHBondContact O-N 3.45Å; S128-S132 WeakPolarHBondContact O-CB 3.44Å; S128-S132 PolarHBondContact O-N 3.19Å |
| 129 | F | 96 | Very high | 97.4 | Very high | 136 Ų | 136 | 107 Ų | 107 | 60% | 0.596 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64 | -42.5 | 177.9 | -174.7 | -107.8 | 0 | 0 | 0 | 111.8 | V125 K126 E127 N133 | V125-F129 VanDerWaalsContact O-CB 3.3Å; V125-F129 WeakPolarHBondContact O-CB 3.35Å; V125-F129 PolarHBondContact O-N 3.41Å; K126-F129 PolarHBondContact O-N 3.03Å; E127-F129 PolarHBondContact O-N 3.47Å; F129-N133 WeakPolarHBondContact CD1-ND2 3.46Å; F129-N133 WeakPolarHBondContact CE1-ND2 3.2Å; F129-N133 WeakPolarHBondContact CZ-ND2 3.12Å; F129-N133 WeakPolarHBondContact O-CB 3.45Å; F129-N133 VanDerWaalsContact O-CG 3.23Å; F129-N133 PolarHBondContact O-N 3.38Å; F129-N133 PolarHBondContact O-ND2 3.41Å |
| 130 | K | 97.4 | Very high | 97.4 | Very high | 128 Ų | 128 | 104.7 Ų | 104.7 | 56% | 0.557 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.1 | -49.7 | 177.1 | -178.8 | -175.6 | 170 | -163.3 | 0 | 112 | K126 E127 N133 Q134 | K126-K130 WeakPolarHBondContact O-CB 3.43Å; K126-K130 PolarHBondContact O-N 2.89Å; E127-K130 PolarHBondContact O-N 3.28Å; E127-K130 IonicContact OE2-NZ 2.62Å; K130-N133 PolarHBondContact O-N 2.94Å; K130-Q134 WeakPolarHBondContact O-CB 3.42Å; K130-Q134 PolarHBondContact O-N 3.41Å |
| 131 | C | 96.7 | Very high | 97.4 | Very high | 76 Ų | 76 | 102 Ų | 102 | 51% | 0.514 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62 | -46.4 | 178.2 | -178.3 | 0 | 0 | 0 | 0 | 111.4 | E127 N133 Q134 K135 | E127-C131 WeakPolarHBondContact O-CB 3.49Å; E127-C131 PolarHBondContact O-N 2.97Å; C131-N133 PolarHBondContact O-N 3.34Å; C131-Q134 PolarHBondContact O-N 2.87Å; C131-K135 PolarHBondContact O-N 2.76Å |
| 132 | S | 96.8 | Very high | 97.4 | Very high | 72 Ų | 72 | 101 Ų | 101 | 50% | 0.503 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.1 | -47.2 | 177.7 | -174.5 | 0 | 0 | 0 | 0 | 112 | S128 Q134 K135 L136 | S128-S132 WeakPolarHBondContact O-CB 3.44Å; S128-S132 PolarHBondContact O-N 3.19Å; S132-Q134 PolarHBondContact O-N 3.46Å; S132-K135 PolarHBondContact O-N 2.75Å; S132-L136 PolarHBondContact O-N 2.93Å |
| 133 | N | 96.2 | Very high | 97.4 | Very high | 65 Ų | 65 | 99.6 Ų | 99.6 | 35% | 0.348 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 177.7 | -74.9 | -15.5 | 0 | 0 | 0 | 112.7 | F129 K130 C131 K135 L136 E137 | F129-N133 WeakPolarHBondContact CD1-ND2 3.46Å; F129-N133 WeakPolarHBondContact CE1-ND2 3.2Å; F129-N133 WeakPolarHBondContact CZ-ND2 3.12Å; F129-N133 WeakPolarHBondContact O-CB 3.45Å; F129-N133 VanDerWaalsContact O-CG 3.23Å; F129-N133 PolarHBondContact O-N 3.38Å; F129-N133 PolarHBondContact O-ND2 3.41Å; K130-N133 PolarHBondContact O-N 2.94Å; C131-N133 PolarHBondContact O-N 3.34Å; N133-K135 VanDerWaalsContact C-N 3.31Å; N133-K135 PolarHBondContact O-N 3.04Å; N133-L136 PolarHBondContact O-N 2.89Å; N133-E137 WeakPolarHBondContact O-CB 3.49Å; N133-E137 PolarHBondContact O-N 3.22Å |
| 134 | Q | 97.7 | Very high | 97.4 | Very high | 107 Ų | 107 | 101.9 Ų | 101.9 | 50% | 0.5 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.1 | -37.7 | 176.6 | -170.2 | -173.7 | 24.7 | 0 | 0 | 111.6 | K130 C131 S132 R138 | K130-Q134 WeakPolarHBondContact O-CB 3.42Å; K130-Q134 PolarHBondContact O-N 3.41Å; C131-Q134 PolarHBondContact O-N 2.87Å; S132-Q134 PolarHBondContact O-N 3.46Å; Q134-R138 WeakPolarHBondContact O-CG 3.36Å; Q134-R138 PolarHBondContact O-N 3.32Å; Q134-R138 VanDerWaalsContact O-N 3.11Å; Q134-R138 PolarHBondContact O-NE 3.39Å |
| 135 | K | 97.7 | Very high | 97.5 | Very high | 149 Ų | 149 | 102.5 Ų | 102.5 | 65% | 0.648 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.4 | -45.1 | 174.5 | -172.8 | 173.8 | -178.3 | 174.4 | 0 | 111 | C131 S132 N133 R138 F139 | C131-K135 PolarHBondContact O-N 2.76Å; S132-K135 PolarHBondContact O-N 2.75Å; N133-K135 VanDerWaalsContact C-N 3.31Å; N133-K135 PolarHBondContact O-N 3.04Å; K135-R138 PolarHBondContact O-N 2.95Å; K135-F139 WeakPolarHBondContact O-CB 3.33Å; K135-F139 PolarHBondContact O-N 3.26Å |
| 136 | L | 97.1 | Very high | 97.5 | Very high | 99 Ų | 99 | 103.1 Ų | 103.1 | 52% | 0.518 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.3 | -45.6 | 177 | -178.8 | 61.2 | 0 | 0 | 0 | 111.7 | S132 N133 R138 F139 C140 | S132-L136 PolarHBondContact O-N 2.93Å; N133-L136 PolarHBondContact O-N 2.89Å; L136-R138 PolarHBondContact O-N 3.33Å; L136-F139 PolarHBondContact O-N 3.48Å; L136-C140 WeakPolarHBondContact O-CB 3.37Å; L136-C140 PolarHBondContact O-N 3.41Å; L136-C140 PolarHBondContact O-SG 2.88Å; L136-C140 VanDerWaalsContact O-SG 3.33Å |
| 137 | E | 96.5 | Very high | 97.5 | Very high | 102 Ų | 102 | 102.6 Ų | 102.6 | 48% | 0.477 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.3 | -45.5 | 177.9 | -173.9 | -174.3 | -179 | 0 | 0 | 111.7 | N133 C140 K141 | N133-E137 WeakPolarHBondContact O-CB 3.49Å; N133-E137 PolarHBondContact O-N 3.22Å; E137-C140 PolarHBondContact O-N 3.44Å; E137-K141 HydrophobicContact CG-CD 4.26Å; E137-K141 WeakPolarHBondContact O-CB 3.35Å; E137-K141 WeakPolarHBondContact O-CG 3.49Å; E137-K141 PolarHBondContact O-N 3.41Å; E137-K141 WeakPolarHBondContact OE1-CE 3.34Å; E137-K141 IonicContact OE1-NZ 3.8Å; E137-K141 PolarHBondContact OE1-NZ 2.9Å |
| 138 | R | 98.2 | Very high | 97.6 | Very high | 147 Ų | 147 | 105.2 Ų | 105.2 | 56% | 0.555 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.3 | -47.2 | 175 | -77.1 | -173.9 | -74.2 | 170 | -5.5 | 111.4 | Q134 K135 L136 K141 T142 | Q134-R138 WeakPolarHBondContact O-CG 3.36Å; Q134-R138 PolarHBondContact O-N 3.32Å; Q134-R138 VanDerWaalsContact O-N 3.11Å; Q134-R138 PolarHBondContact O-NE 3.39Å; K135-R138 PolarHBondContact O-N 2.95Å; L136-R138 PolarHBondContact O-N 3.33Å; R138-K141 PolarHBondContact O-N 3.03Å; R138-T142 WeakPolarHBondContact O-CB 3.32Å; R138-T142 PolarHBondContact O-N 3.03Å; R138-T142 PolarHBondContact O-OG1 2.88Å |
| 139 | F | 97.7 | Very high | 97.6 | Very high | 134 Ų | 134 | 106.8 Ų | 106.8 | 59% | 0.588 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.7 | -49.3 | 178.2 | 176.5 | -98 | 0 | 0 | 0 | 111.8 | K135 L136 K141 T142 N143 | K135-F139 WeakPolarHBondContact O-CB 3.33Å; K135-F139 PolarHBondContact O-N 3.26Å; L136-F139 PolarHBondContact O-N 3.48Å; F139-K141 PolarHBondContact O-N 3.28Å; F139-T142 PolarHBondContact O-N 3.23Å; F139-N143 WeakPolarHBondContact O-CB 3.23Å; F139-N143 PolarHBondContact O-N 3.22Å |
| 140 | C | 98.1 | Very high | 97.7 | Very high | 52 Ų | 52 | 104.8 Ų | 104.8 | 35% | 0.351 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.2 | -48.4 | 178 | -71.7 | 0 | 0 | 0 | 0 | 111.8 | L136 E137 T142 N143 E144 | L136-C140 WeakPolarHBondContact O-CB 3.37Å; L136-C140 PolarHBondContact O-N 3.41Å; L136-C140 PolarHBondContact O-SG 2.88Å; L136-C140 VanDerWaalsContact O-SG 3.33Å; E137-C140 PolarHBondContact O-N 3.44Å; C140-T142 VanDerWaalsContact C-N 3.34Å; C140-T142 PolarHBondContact O-N 3.35Å; C140-N143 PolarHBondContact O-N 3.29Å; C140-E144 WeakPolarHBondContact O-CB 3.45Å; C140-E144 WeakPolarHBondContact O-CG 3.35Å; C140-E144 PolarHBondContact O-N 3.16Å |
| 141 | K | 98.2 | Very high | 97.8 | Very high | 107 Ų | 107 | 103 Ų | 103 | 47% | 0.465 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61 | -41.4 | 178.3 | -73.8 | 177.5 | -177.2 | 173.8 | 0 | 112.6 | E137 R138 F139 R145 | E137-K141 HydrophobicContact CG-CD 4.26Å; E137-K141 WeakPolarHBondContact O-CB 3.35Å; E137-K141 WeakPolarHBondContact O-CG 3.49Å; E137-K141 PolarHBondContact O-N 3.41Å; E137-K141 WeakPolarHBondContact OE1-CE 3.34Å; E137-K141 IonicContact OE1-NZ 3.8Å; E137-K141 PolarHBondContact OE1-NZ 2.9Å; R138-K141 PolarHBondContact O-N 3.03Å; F139-K141 PolarHBondContact O-N 3.28Å; K141-R145 WeakPolarHBondContact O-CB 3.32Å; K141-R145 PolarHBondContact O-N 3.41Å; K141-R145 VanDerWaalsContact O-N 3.1Å |
| 142 | T | 98.1 | Very high | 97.9 | Very high | 56 Ų | 56 | 102.7 Ų | 102.7 | 34% | 0.344 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.5 | -48.6 | 177.2 | -67.9 | 0 | 0 | 0 | 0 | 111.1 | R138 F139 C140 E144 R145 E146 | R138-T142 WeakPolarHBondContact O-CB 3.32Å; R138-T142 PolarHBondContact O-N 3.03Å; R138-T142 PolarHBondContact O-OG1 2.88Å; F139-T142 PolarHBondContact O-N 3.23Å; C140-T142 VanDerWaalsContact C-N 3.34Å; C140-T142 PolarHBondContact O-N 3.35Å; T142-E144 VanDerWaalsContact C-N 3.35Å; T142-E144 PolarHBondContact O-N 2.79Å; T142-R145 WeakPolarHBondContact O-CB 3.32Å; T142-R145 PolarHBondContact O-N 2.88Å; T142-R145 VanDerWaalsContact O-N 3.12Å; T142-E146 WeakPolarHBondContact O-CG 3.38Å; T142-E146 PolarHBondContact O-N 3.38Å |
| 143 | N | 98 | Very high | 97.9 | Very high | 64 Ų | 64 | 104.8 Ų | 104.8 | 34% | 0.342 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.8 | -41.7 | 177.5 | 174.2 | 75.4 | 0 | 0 | 0 | 112.4 | F139 C140 R145 E146 R147 | F139-N143 WeakPolarHBondContact O-CB 3.23Å; F139-N143 PolarHBondContact O-N 3.22Å; C140-N143 PolarHBondContact O-N 3.29Å; N143-R145 PolarHBondContact O-N 2.89Å; N143-E146 PolarHBondContact O-N 2.94Å; N143-R147 WeakPolarHBondContact O-CB 3.41Å; N143-R147 VanDerWaalsContact O-CG 3.31Å; N143-R147 WeakPolarHBondContact O-CG 3.35Å; N143-R147 PolarHBondContact O-N 3.34Å |
| 144 | E | 98.3 | Very high | 98 | Very high | 128 Ų | 128 | 107.1 Ų | 107.1 | 60% | 0.598 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.2 | -43.3 | 174.2 | -77.2 | 175.2 | -174 | 0 | 0 | 112.2 | C140 T142 K148 | C140-E144 WeakPolarHBondContact O-CB 3.45Å; C140-E144 WeakPolarHBondContact O-CG 3.35Å; C140-E144 PolarHBondContact O-N 3.16Å; T142-E144 VanDerWaalsContact C-N 3.35Å; T142-E144 PolarHBondContact O-N 2.79Å; E144-K148 WeakPolarHBondContact O-CB 3.32Å; E144-K148 PolarHBondContact O-N 2.95Å |
| 145 | R | 98.4 | Very high | 98 | Very high | 156 Ų | 156 | 104.6 Ų | 104.6 | 59% | 0.589 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.9 | -44.8 | 177.7 | -169.7 | -171.1 | -55.6 | 113.4 | 3.3 | 111.4 | K141 T142 N143 K148 N149 | K141-R145 WeakPolarHBondContact O-CB 3.32Å; K141-R145 PolarHBondContact O-N 3.41Å; K141-R145 VanDerWaalsContact O-N 3.1Å; T142-R145 WeakPolarHBondContact O-CB 3.32Å; T142-R145 PolarHBondContact O-N 2.88Å; T142-R145 VanDerWaalsContact O-N 3.12Å; N143-R145 PolarHBondContact O-N 2.89Å; R145-K148 PolarHBondContact O-N 3.49Å; R145-N149 WeakPolarHBondContact O-CB 3.42Å; R145-N149 PolarHBondContact O-N 2.85Å |
| 146 | E | 98.4 | Very high | 98.1 | Very high | 108 Ų | 108 | 103.4 Ų | 103.4 | 51% | 0.505 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.7 | -47.6 | 178.3 | -73.3 | 176.6 | 175 | 0 | 0 | 111.6 | T142 N143 K148 N149 I150 | T142-E146 WeakPolarHBondContact O-CG 3.38Å; T142-E146 PolarHBondContact O-N 3.38Å; N143-E146 PolarHBondContact O-N 2.94Å; E146-K148 VanDerWaalsContact C-N 3.31Å; E146-K148 PolarHBondContact O-N 2.93Å; E146-N149 WeakPolarHBondContact O-CB 3.31Å; E146-N149 PolarHBondContact O-N 2.93Å; E146-N149 VanDerWaalsContact O-N 3.16Å; E146-I150 WeakPolarHBondContact O-CG1 3.05Å; E146-I150 PolarHBondContact O-N 3.39Å |
| 147 | R | 98.4 | Very high | 98.1 | Very high | 133 Ų | 133 | 104.4 Ų | 104.4 | 50% | 0.502 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.6 | -43.3 | 175.4 | -72.9 | 179.6 | 69 | 104.9 | 2.6 | 111.8 | N143 I150 N151 | N143-R147 WeakPolarHBondContact O-CB 3.41Å; N143-R147 VanDerWaalsContact O-CG 3.31Å; N143-R147 WeakPolarHBondContact O-CG 3.35Å; N143-R147 PolarHBondContact O-N 3.34Å; R147-I150 PolarHBondContact O-N 3.12Å; R147-N151 VanDerWaalsContact O-CB 3.32Å; R147-N151 WeakPolarHBondContact O-CB 3.43Å; R147-N151 PolarHBondContact O-N 3.29Å |
| 148 | K | 98.4 | Very high | 98.2 | Very high | 142 Ų | 142 | 106.5 Ų | 106.5 | 62% | 0.617 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.1 | -43.4 | 176 | -175.3 | 177.1 | 179.6 | 179.1 | 0 | 111.7 | E144 R145 E146 N151 N152 | E144-K148 WeakPolarHBondContact O-CB 3.32Å; E144-K148 PolarHBondContact O-N 2.95Å; R145-K148 PolarHBondContact O-N 3.49Å; E146-K148 VanDerWaalsContact C-N 3.31Å; E146-K148 PolarHBondContact O-N 2.93Å; K148-N151 PolarHBondContact O-N 2.77Å; K148-N152 WeakPolarHBondContact O-CB 3.4Å; K148-N152 PolarHBondContact O-N 3.4Å; K148-N152 PolarHBondContact O-OD1 2.87Å |
| 149 | N | 98.4 | Very high | 98.2 | Very high | 81 Ų | 81 | 104 Ų | 104 | 43% | 0.433 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.6 | -47.2 | 177.9 | -177.8 | 49.7 | 0 | 0 | 0 | 111.7 | R145 E146 N152 K153 | R145-N149 WeakPolarHBondContact O-CB 3.42Å; R145-N149 PolarHBondContact O-N 2.85Å; E146-N149 WeakPolarHBondContact O-CB 3.31Å; E146-N149 PolarHBondContact O-N 2.93Å; E146-N149 VanDerWaalsContact O-N 3.16Å; N149-N152 PolarHBondContact O-N 3.41Å; N149-K153 WeakPolarHBondContact O-CG 3.21Å; N149-K153 PolarHBondContact O-N 3.03Å |
| 150 | I | 98 | Very high | 98.3 | Very high | 94 Ų | 94 | 101.8 Ų | 101.8 | 48% | 0.482 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.4 | -49.3 | 176.4 | -67.9 | 166.2 | 0 | 0 | 0 | 110.3 | E146 R147 N152 K153 F154 | E146-I150 WeakPolarHBondContact O-CG1 3.05Å; E146-I150 PolarHBondContact O-N 3.39Å; R147-I150 PolarHBondContact O-N 3.12Å; I150-N152 VanDerWaalsContact C-N 3.34Å; I150-N152 PolarHBondContact O-N 3.1Å; I150-K153 PolarHBondContact O-N 2.97Å; I150-F154 HydrophobicContact CG2-CD2 3.72Å; I150-F154 HydrophobicContact CG2-CE2 3.66Å; I150-F154 VanDerWaalsContact O-CD2 3.32Å; I150-F154 WeakPolarHBondContact O-CD2 3.45Å; I150-F154 PolarHBondContact O-N 2.77Å |
| 151 | N | 98.2 | Very high | 98.3 | Very high | 91 Ų | 91 | 103.8 Ų | 103.8 | 49% | 0.487 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.6 | -45.2 | 178.5 | -177.4 | 81 | 0 | 0 | 0 | 112.1 | R147 K148 K153 F154 C155 | R147-N151 VanDerWaalsContact O-CB 3.32Å; R147-N151 WeakPolarHBondContact O-CB 3.43Å; R147-N151 PolarHBondContact O-N 3.29Å; K148-N151 PolarHBondContact O-N 2.77Å; N151-K153 PolarHBondContact O-N 2.9Å; N151-F154 PolarHBondContact O-N 3.49Å; N151-C155 PolarHBondContact O-N 2.81Å; N151-C155 PolarHBondContact O-SG 2.69Å |
| 152 | N | 98.4 | Very high | 98.3 | Very high | 70 Ų | 70 | 105.4 Ų | 105.4 | 37% | 0.374 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.3 | -45.8 | 178 | -73.9 | -0.5 | 0 | 0 | 0 | 111.8 | K148 N149 I150 F154 C155 E156 | K148-N152 WeakPolarHBondContact O-CB 3.4Å; K148-N152 PolarHBondContact O-N 3.4Å; K148-N152 PolarHBondContact O-OD1 2.87Å; N149-N152 PolarHBondContact O-N 3.41Å; I150-N152 VanDerWaalsContact C-N 3.34Å; I150-N152 PolarHBondContact O-N 3.1Å; N152-F154 VanDerWaalsContact C-N 3.33Å; N152-F154 PolarHBondContact O-N 3.38Å; N152-C155 PolarHBondContact O-N 2.95Å; N152-E156 WeakPolarHBondContact O-CB 3.34Å; N152-E156 WeakPolarHBondContact O-CG 3.47Å; N152-E156 PolarHBondContact O-N 2.78Å |
| 153 | K | 98.4 | Very high | 98.3 | Very high | 115 Ų | 115 | 108.7 Ų | 108.7 | 50% | 0.5 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.6 | -44 | 176.4 | -72.7 | 178 | 179.2 | -173.1 | 0 | 112 | N149 I150 N151 E156 Q157 | N149-K153 WeakPolarHBondContact O-CG 3.21Å; N149-K153 PolarHBondContact O-N 3.03Å; I150-K153 PolarHBondContact O-N 2.97Å; N151-K153 PolarHBondContact O-N 2.9Å; K153-E156 PolarHBondContact O-N 3.34Å; K153-Q157 WeakPolarHBondContact O-CG 3.49Å; K153-Q157 PolarHBondContact O-N 2.98Å |
| 154 | F | 97.7 | Very high | 98.3 | Very high | 114 Ų | 114 | 111.9 Ų | 111.9 | 50% | 0.5 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.8 | -46.5 | 175.3 | -84.9 | -68.8 | 0 | 0 | 0 | 111.9 | I150 N151 N152 E156 Q157 Y158 | I150-F154 HydrophobicContact CG2-CD2 3.72Å; I150-F154 HydrophobicContact CG2-CE2 3.66Å; I150-F154 VanDerWaalsContact O-CD2 3.32Å; I150-F154 WeakPolarHBondContact O-CD2 3.45Å; I150-F154 PolarHBondContact O-N 2.77Å; N151-F154 PolarHBondContact O-N 3.49Å; N152-F154 VanDerWaalsContact C-N 3.33Å; N152-F154 PolarHBondContact O-N 3.38Å; F154-E156 VanDerWaalsContact C-N 3.31Å; F154-E156 PolarHBondContact O-N 3.39Å; F154-Q157 PolarHBondContact O-N 3.42Å; F154-Y158 VanDerWaalsContact O-CD2 3.23Å; F154-Y158 WeakPolarHBondContact O-CD2 3.47Å; F154-Y158 PolarHBondContact O-N 3.22Å |
| 155 | C | 98.3 | Very high | 98.4 | Very high | 55 Ų | 55 | 108.9 Ų | 108.9 | 37% | 0.372 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -57.5 | -44.7 | 176.8 | -70.8 | 0 | 0 | 0 | 0 | 111.7 | N151 N152 Y158 I159 | N151-C155 PolarHBondContact O-N 2.81Å; N151-C155 PolarHBondContact O-SG 2.69Å; N152-C155 PolarHBondContact O-N 2.95Å; C155-Y158 PolarHBondContact O-N 2.72Å; C155-I159 WeakPolarHBondContact O-CB 3.33Å; C155-I159 WeakPolarHBondContact O-CD1 3.37Å; C155-I159 WeakPolarHBondContact O-CG1 3.34Å; C155-I159 PolarHBondContact O-N 3Å |
| 156 | E | 98.5 | Very high | 98.4 | Very high | 123 Ų | 123 | 105.8 Ų | 105.8 | 58% | 0.575 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.8 | -43.9 | 176.5 | -75.1 | 171.9 | -173 | 0 | 0 | 112.2 | N152 K153 F154 I159 T160 | N152-E156 WeakPolarHBondContact O-CB 3.34Å; N152-E156 WeakPolarHBondContact O-CG 3.47Å; N152-E156 PolarHBondContact O-N 2.78Å; K153-E156 PolarHBondContact O-N 3.34Å; F154-E156 VanDerWaalsContact C-N 3.31Å; F154-E156 PolarHBondContact O-N 3.39Å; E156-I159 PolarHBondContact O-N 2.62Å; E156-T160 WeakPolarHBondContact O-CB 3.31Å; E156-T160 PolarHBondContact O-N 2.93Å; E156-T160 PolarHBondContact O-OG1 2.99Å |
| 157 | Q | 98.4 | Very high | 98.4 | Very high | 121 Ų | 121 | 106.2 Ų | 106.2 | 57% | 0.565 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.1 | -45.3 | 175.6 | -74.7 | 178.8 | -1.8 | 0 | 0 | 112 | K153 F154 T161 | K153-Q157 WeakPolarHBondContact O-CG 3.49Å; K153-Q157 PolarHBondContact O-N 2.98Å; F154-Q157 PolarHBondContact O-N 3.42Å; Q157-T161 WeakPolarHBondContact O-CB 3.45Å; Q157-T161 PolarHBondContact O-N 3.33Å; Q157-T161 PolarHBondContact O-OG1 3.28Å |
| 158 | Y | 98.1 | Very high | 98.4 | Very high | 145 Ų | 145 | 104 Ų | 104 | 57% | 0.569 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61 | -51.3 | 176.3 | -86.2 | -69 | 0 | 0 | 0 | 111.4 | F154 C155 T160 T161 F162 | F154-Y158 VanDerWaalsContact O-CD2 3.23Å; F154-Y158 WeakPolarHBondContact O-CD2 3.47Å; F154-Y158 PolarHBondContact O-N 3.22Å; C155-Y158 PolarHBondContact O-N 2.72Å; Y158-T160 VanDerWaalsContact C-N 3.32Å; Y158-T160 PolarHBondContact O-N 3.45Å; Y158-T161 PolarHBondContact O-N 3.35Å; Y158-F162 HydrophobicContact CD1-CD2 4.44Å; Y158-F162 AromaticContact CD1-CE2 3.77Å; Y158-F162 HydrophobicContact CD1-CE2 3.77Å; Y158-F162 WeakPolarHBondContact O-CD2 3.43Å; Y158-F162 PolarHBondContact O-N 2.81Å |
| 159 | I | 98.3 | Very high | 98.4 | Very high | 95 Ų | 95 | 100.6 Ų | 100.6 | 49% | 0.487 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -56.5 | -49 | -179.7 | -69.9 | 163.4 | 0 | 0 | 0 | 110.3 | C155 E156 T161 F162 Q163 | C155-I159 WeakPolarHBondContact O-CB 3.33Å; C155-I159 WeakPolarHBondContact O-CD1 3.37Å; C155-I159 WeakPolarHBondContact O-CG1 3.34Å; C155-I159 PolarHBondContact O-N 3Å; E156-I159 PolarHBondContact O-N 2.62Å; I159-T161 VanDerWaalsContact C-N 3.33Å; I159-T161 PolarHBondContact O-N 2.88Å; I159-F162 PolarHBondContact O-N 3.39Å; I159-Q163 HydrophobicContact CG2-CG 4.4Å; I159-Q163 WeakPolarHBondContact O-CB 3.48Å; I159-Q163 VanDerWaalsContact O-CG 3.3Å; I159-Q163 WeakPolarHBondContact O-CG 3.49Å; I159-Q163 PolarHBondContact O-N 2.88Å |
| 160 | T | 98.6 | Very high | 98.4 | Very high | 88 Ų | 88 | 101.7 Ų | 101.7 | 54% | 0.54 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.1 | -43.1 | 180 | -55.8 | 0 | 0 | 0 | 0 | 111.5 | E156 Y158 K164 | E156-T160 WeakPolarHBondContact O-CB 3.31Å; E156-T160 PolarHBondContact O-N 2.93Å; E156-T160 PolarHBondContact O-OG1 2.99Å; Y158-T160 VanDerWaalsContact C-N 3.32Å; Y158-T160 PolarHBondContact O-N 3.45Å; T160-K164 WeakPolarHBondContact O-CB 3.41Å; T160-K164 PolarHBondContact O-N 2.93Å |
| 161 | T | 98.4 | Very high | 98.4 | Very high | 94 Ų | 94 | 103.8 Ų | 103.8 | 58% | 0.577 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.5 | -43.9 | 179.6 | -57.8 | 0 | 0 | 0 | 0 | 111.5 | Q157 Y158 I159 K164 S165 | Q157-T161 WeakPolarHBondContact O-CB 3.45Å; Q157-T161 PolarHBondContact O-N 3.33Å; Q157-T161 PolarHBondContact O-OG1 3.28Å; Y158-T161 PolarHBondContact O-N 3.35Å; I159-T161 VanDerWaalsContact C-N 3.33Å; I159-T161 PolarHBondContact O-N 2.88Å; T161-K164 PolarHBondContact O-N 3.36Å; T161-S165 WeakPolarHBondContact O-CB 3.35Å; T161-S165 PolarHBondContact O-N 3.02Å |
| 162 | F | 98.5 | Very high | 98.5 | Very high | 140 Ų | 140 | 105.6 Ų | 105.6 | 61% | 0.614 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.5 | -40.7 | 178.2 | -79.3 | -63.9 | 0 | 0 | 0 | 112.5 | Y158 I159 K164 S165 D166 | Y158-F162 HydrophobicContact CD1-CD2 4.44Å; Y158-F162 AromaticContact CD1-CE2 3.77Å; Y158-F162 HydrophobicContact CD1-CE2 3.77Å; Y158-F162 WeakPolarHBondContact O-CD2 3.43Å; Y158-F162 PolarHBondContact O-N 2.81Å; I159-F162 PolarHBondContact O-N 3.39Å; F162-K164 VanDerWaalsContact C-N 3.33Å; F162-K164 PolarHBondContact O-N 2.99Å; F162-S165 PolarHBondContact O-N 3.14Å; F162-D166 WeakPolarHBondContact O-CB 3.12Å; F162-D166 PolarHBondContact O-N 2.97Å |
| 163 | Q | 98.7 | Very high | 98.5 | Very high | 125 Ų | 125 | 105.8 Ų | 105.8 | 58% | 0.584 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.4 | -42.2 | 174.8 | -75.6 | 176.5 | -19.5 | 0 | 0 | 111.9 | I159 D166 M167 | I159-Q163 HydrophobicContact CG2-CG 4.4Å; I159-Q163 WeakPolarHBondContact O-CB 3.48Å; I159-Q163 VanDerWaalsContact O-CG 3.3Å; I159-Q163 WeakPolarHBondContact O-CG 3.49Å; I159-Q163 PolarHBondContact O-N 2.88Å; Q163-D166 PolarHBondContact O-N 2.96Å; Q163-M167 WeakPolarHBondContact O-CB 2.95Å; Q163-M167 PolarHBondContact O-N 2.65Å |
| 164 | K | 98.6 | Very high | 98.5 | Very high | 132 Ų | 132 | 105.5 Ų | 105.5 | 57% | 0.574 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.6 | -46.4 | 174.6 | -175.5 | -176.7 | 175.3 | -171.9 | 0 | 111.6 | T160 T161 F162 D166 M167 D168 | T160-K164 WeakPolarHBondContact O-CB 3.41Å; T160-K164 PolarHBondContact O-N 2.93Å; T161-K164 PolarHBondContact O-N 3.36Å; F162-K164 VanDerWaalsContact C-N 3.33Å; F162-K164 PolarHBondContact O-N 2.99Å; K164-D166 VanDerWaalsContact C-N 3.35Å; K164-D166 PolarHBondContact O-N 3.36Å; K164-M167 WeakPolarHBondContact O-CB 3.34Å; K164-M167 PolarHBondContact O-N 2.91Å; K164-D168 PolarHBondContact O-N 3.04Å |
| 165 | S | 98.7 | Very high | 98.5 | Very high | 65 Ų | 65 | 105.8 Ų | 105.8 | 46% | 0.455 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -58.7 | -45.1 | 177.7 | -173.1 | 0 | 0 | 0 | 0 | 112 | T161 F162 M167 D168 V169 | T161-S165 WeakPolarHBondContact O-CB 3.35Å; T161-S165 PolarHBondContact O-N 3.02Å; F162-S165 PolarHBondContact O-N 3.14Å; S165-M167 PolarHBondContact O-N 2.81Å; S165-D168 PolarHBondContact O-N 3.11Å; S165-V169 WeakPolarHBondContact O-CG2 3.17Å; S165-V169 PolarHBondContact O-N 3.38Å |
| 166 | D | 98.6 | Very high | 98.5 | Very high | 90 Ų | 90 | 108 Ų | 108 | 48% | 0.481 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 177.3 | -170.2 | 61.8 | 0 | 0 | 0 | 111.9 | F162 Q163 K164 D168 V169 Q170 | F162-D166 WeakPolarHBondContact O-CB 3.12Å; F162-D166 PolarHBondContact O-N 2.97Å; Q163-D166 PolarHBondContact O-N 2.96Å; K164-D166 VanDerWaalsContact C-N 3.35Å; K164-D166 PolarHBondContact O-N 3.36Å; D166-D168 PolarHBondContact O-N 3.45Å; D166-V169 PolarHBondContact O-N 3.47Å; D166-Q170 WeakPolarHBondContact O-CG 3.3Å; D166-Q170 PolarHBondContact O-N 2.95Å; D166-Q170 PolarHBondContact OD2-NE2 2.85Å |
| 167 | M | 98.5 | Very high | 98.5 | Very high | 118 Ų | 118 | 107.9 Ų | 107.9 | 58% | 0.581 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61 | -43.3 | 175.1 | -168 | -169.1 | -35.7 | 0 | 0 | 112.3 | Q163 K164 S165 V169 Q170 K171 | Q163-M167 WeakPolarHBondContact O-CB 2.95Å; Q163-M167 PolarHBondContact O-N 2.65Å; K164-M167 WeakPolarHBondContact O-CB 3.34Å; K164-M167 PolarHBondContact O-N 2.91Å; S165-M167 PolarHBondContact O-N 2.81Å; M167-V169 VanDerWaalsContact C-N 3.34Å; M167-Q170 PolarHBondContact O-N 3.19Å; M167-K171 WeakPolarHBondContact O-CB 3.37Å; M167-K171 PolarHBondContact O-N 3.23Å |
| 168 | D | 98.6 | Very high | 98.5 | Very high | 85 Ų | 85 | 108.8 Ų | 108.8 | 46% | 0.455 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.4 | -39.4 | 177.2 | -72.7 | -26.1 | 0 | 0 | 0 | 111.1 | K164 S165 D166 K171 F172 | K164-D168 PolarHBondContact O-N 3.04Å; S165-D168 PolarHBondContact O-N 3.11Å; D166-D168 PolarHBondContact O-N 3.45Å; D168-K171 PolarHBondContact O-N 2.98Å; D168-F172 WeakPolarHBondContact O-CB 3.41Å; D168-F172 PolarHBondContact O-N 3.45Å |
| 169 | V | 98.7 | Very high | 98.5 | Very high | 72 Ų | 72 | 105.2 Ų | 105.2 | 44% | 0.436 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.5 | -43.4 | 174.5 | 168.8 | 0 | 0 | 0 | 0 | 111.6 | S165 D166 M167 F172 N173 | S165-V169 WeakPolarHBondContact O-CG2 3.17Å; S165-V169 PolarHBondContact O-N 3.38Å; D166-V169 PolarHBondContact O-N 3.47Å; M167-V169 VanDerWaalsContact C-N 3.34Å; V169-F172 PolarHBondContact O-N 3.22Å; V169-N173 PolarHBondContact O-N 3.23Å; V169-N173 PolarHBondContact O-ND2 3.4Å |
| 170 | Q | 98.6 | Very high | 98.5 | Very high | 104 Ų | 104 | 104.7 Ų | 104.7 | 49% | 0.486 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.2 | -49.1 | 175.7 | -71.7 | 177.6 | 18.8 | 0 | 0 | 110.9 | D166 M167 F172 N173 E174 | D166-Q170 WeakPolarHBondContact O-CG 3.3Å; D166-Q170 PolarHBondContact O-N 2.95Å; D166-Q170 PolarHBondContact OD2-NE2 2.85Å; M167-Q170 PolarHBondContact O-N 3.19Å; Q170-F172 VanDerWaalsContact C-N 3.34Å; Q170-F172 PolarHBondContact O-N 3.42Å; Q170-N173 WeakPolarHBondContact O-CB 3.28Å; Q170-N173 PolarHBondContact O-N 3.43Å; Q170-N173 VanDerWaalsContact O-N 3.11Å; Q170-E174 PolarHBondContact O-N 2.86Å |
| 171 | K | 98.5 | Very high | 98.5 | Very high | 138 Ų | 138 | 103.8 Ų | 103.8 | 60% | 0.6 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -59.2 | -43.9 | 177.4 | -174.6 | -178.4 | 177.6 | -173.3 | 0 | 112.3 | M167 D168 N173 E174 E175 | M167-K171 WeakPolarHBondContact O-CB 3.37Å; M167-K171 PolarHBondContact O-N 3.23Å; D168-K171 PolarHBondContact O-N 2.98Å; K171-N173 VanDerWaalsContact C-N 3.31Å; K171-N173 PolarHBondContact O-N 3.04Å; K171-E174 PolarHBondContact O-N 3.02Å; K171-E175 PolarHBondContact O-N 3.46Å; K171-E175 VanDerWaalsContact O-N 3.1Å |
| 172 | F | 98.5 | Very high | 98.4 | Very high | 128 Ų | 128 | 102.8 Ų | 102.8 | 56% | 0.561 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.3 | -41.8 | 175.5 | 173.8 | -99.8 | 0 | 0 | 0 | 111.8 | D168 V169 Q170 E175 K176 | D168-F172 WeakPolarHBondContact O-CB 3.41Å; D168-F172 PolarHBondContact O-N 3.45Å; V169-F172 PolarHBondContact O-N 3.22Å; Q170-F172 VanDerWaalsContact C-N 3.34Å; Q170-F172 PolarHBondContact O-N 3.42Å; F172-E175 PolarHBondContact O-N 3.29Å; F172-K176 HydrophobicContact CE1-CD 4.24Å; F172-K176 VanDerWaalsContact O-CB 3.26Å; F172-K176 WeakPolarHBondContact O-CB 3.3Å; F172-K176 PolarHBondContact O-N 3.3Å |
| 173 | N | 98.5 | Very high | 98.4 | Very high | 75 Ų | 75 | 99.9 Ų | 99.9 | 40% | 0.401 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.2 | -40.1 | 178.8 | -81 | -36.7 | 0 | 0 | 0 | 112.7 | V169 Q170 K171 K176 E177 | V169-N173 PolarHBondContact O-N 3.23Å; V169-N173 PolarHBondContact O-ND2 3.4Å; Q170-N173 WeakPolarHBondContact O-CB 3.28Å; Q170-N173 PolarHBondContact O-N 3.43Å; Q170-N173 VanDerWaalsContact O-N 3.11Å; K171-N173 VanDerWaalsContact C-N 3.31Å; K171-N173 PolarHBondContact O-N 3.04Å; N173-K176 PolarHBondContact O-N 2.95Å; N173-K176 WeakPolarHBondContact OD1-CE 3.19Å; N173-E177 WeakPolarHBondContact O-CB 3.43Å; N173-E177 PolarHBondContact O-N 3.47Å |
| 174 | E | 98.5 | Very high | 98.4 | Very high | 109 Ų | 109 | 98.7 Ų | 98.7 | 51% | 0.509 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.1 | -44 | 174.2 | -68.4 | 178.3 | -169.8 | 0 | 0 | 112.1 | Q170 K171 E177 K178 | Q170-E174 PolarHBondContact O-N 2.86Å; K171-E174 PolarHBondContact O-N 3.02Å; E174-E177 PolarHBondContact O-N 3.46Å; E174-K178 WeakPolarHBondContact O-CG 3.45Å; E174-K178 PolarHBondContact O-N 3.13Å |
| 175 | E | 98.3 | Very high | 98.4 | Very high | 120 Ų | 120 | 99.5 Ų | 99.5 | 56% | 0.561 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.6 | -40.4 | 178 | -173.8 | 171.1 | -172.3 | 0 | 0 | 112 | K171 F172 K178 S179 | K171-E175 PolarHBondContact O-N 3.46Å; K171-E175 VanDerWaalsContact O-N 3.1Å; F172-E175 PolarHBondContact O-N 3.29Å; E175-K178 PolarHBondContact O-N 2.88Å; E175-S179 PolarHBondContact O-N 3.03Å; E175-S179 PolarHBondContact O-OG 2.92Å |
| 176 | K | 98.3 | Very high | 98.3 | Very high | 101 Ų | 101 | 102.2 Ų | 102.2 | 44% | 0.439 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.3 | -46.4 | 173.1 | -177.9 | -175.5 | 69.9 | 74.3 | 0 | 111.1 | F172 N173 S179 V180 | F172-K176 HydrophobicContact CE1-CD 4.24Å; F172-K176 VanDerWaalsContact O-CB 3.26Å; F172-K176 WeakPolarHBondContact O-CB 3.3Å; F172-K176 PolarHBondContact O-N 3.3Å; N173-K176 PolarHBondContact O-N 2.95Å; N173-K176 WeakPolarHBondContact OD1-CE 3.19Å; K176-S179 PolarHBondContact O-N 3.47Å; K176-V180 WeakPolarHBondContact O-CG2 3.4Å; K176-V180 PolarHBondContact O-N 3.08Å |
| 177 | E | 98.4 | Very high | 98.3 | Very high | 121 Ų | 121 | 103 Ų | 103 | 57% | 0.565 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.2 | -44.7 | 179.1 | -173.5 | 179.3 | 176.3 | 0 | 0 | 111.9 | N173 E174 S179 V180 N181 | N173-E177 WeakPolarHBondContact O-CB 3.43Å; N173-E177 PolarHBondContact O-N 3.47Å; E174-E177 PolarHBondContact O-N 3.46Å; E177-S179 VanDerWaalsContact C-N 3.28Å; E177-S179 PolarHBondContact O-N 3.48Å; E177-V180 PolarHBondContact O-N 2.93Å; E177-N181 WeakPolarHBondContact O-CB 3.36Å; E177-N181 VanDerWaalsContact O-CG 3.3Å; E177-N181 PolarHBondContact O-N 2.9Å; E177-N181 PolarHBondContact O-ND2 3.49Å |
| 178 | K | 98.1 | Very high | 98.3 | Very high | 140 Ų | 140 | 102.5 Ų | 102.5 | 61% | 0.609 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -56 | -44.3 | 174.2 | -71.6 | 169.6 | -171.3 | 168.4 | 0 | 111.7 | E174 E175 N181 S182 | E174-K178 WeakPolarHBondContact O-CG 3.45Å; E174-K178 PolarHBondContact O-N 3.13Å; E175-K178 PolarHBondContact O-N 2.88Å; K178-N181 PolarHBondContact O-N 3.3Å; K178-S182 PolarHBondContact O-N 2.93Å |
| 179 | S | 98 | Very high | 98.3 | Very high | 70 Ų | 70 | 101.2 Ų | 101.2 | 49% | 0.49 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.2 | -43.3 | 179.1 | -59 | 0 | 0 | 0 | 0 | 112.5 | E175 K176 E177 N181 S182 C183 | E175-S179 PolarHBondContact O-N 3.03Å; E175-S179 PolarHBondContact O-OG 2.92Å; K176-S179 PolarHBondContact O-N 3.47Å; E177-S179 VanDerWaalsContact C-N 3.28Å; E177-S179 PolarHBondContact O-N 3.48Å; S179-N181 VanDerWaalsContact C-N 3.35Å; S179-N181 PolarHBondContact O-N 2.9Å; S179-S182 PolarHBondContact O-N 3.46Å; S179-C183 WeakPolarHBondContact O-CB 3.34Å; S179-C183 PolarHBondContact O-N 2.91Å |
| 180 | V | 98.5 | Very high | 98.3 | Very high | 83 Ų | 83 | 102.9 Ų | 102.9 | 50% | 0.503 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.2 | -45.5 | 175.6 | 168.2 | 0 | 0 | 0 | 0 | 110.8 | K176 E177 S182 C183 Q184 | K176-V180 WeakPolarHBondContact O-CG2 3.4Å; K176-V180 PolarHBondContact O-N 3.08Å; E177-V180 PolarHBondContact O-N 2.93Å; V180-S182 VanDerWaalsContact C-N 3.32Å; V180-S182 PolarHBondContact O-N 3.2Å; V180-C183 PolarHBondContact O-N 3.49Å; V180-Q184 PolarHBondContact O-N 3.44Å |
| 181 | N | 98.1 | Very high | 98.2 | Very high | 69 Ų | 69 | 104.1 Ų | 104.1 | 37% | 0.369 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.4 | -39 | 178 | -73.1 | -29.1 | 0 | 0 | 0 | 112.3 | E177 K178 S179 K185 | E177-N181 WeakPolarHBondContact O-CB 3.36Å; E177-N181 VanDerWaalsContact O-CG 3.3Å; E177-N181 PolarHBondContact O-N 2.9Å; E177-N181 PolarHBondContact O-ND2 3.49Å; K178-N181 PolarHBondContact O-N 3.3Å; S179-N181 VanDerWaalsContact C-N 3.35Å; S179-N181 PolarHBondContact O-N 2.9Å; N181-K185 WeakPolarHBondContact O-CG 3.48Å; N181-K185 PolarHBondContact O-N 2.97Å |
| 182 | S | 98.1 | Very high | 98.2 | Very high | 73 Ų | 73 | 103.8 Ų | 103.8 | 51% | 0.51 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.6 | -48.1 | 174.7 | -168.1 | 0 | 0 | 0 | 0 | 111.7 | K178 S179 V180 Q184 K185 E186 | K178-S182 PolarHBondContact O-N 2.93Å; S179-S182 PolarHBondContact O-N 3.46Å; V180-S182 VanDerWaalsContact C-N 3.32Å; V180-S182 PolarHBondContact O-N 3.2Å; S182-Q184 VanDerWaalsContact C-N 3.3Å; S182-Q184 PolarHBondContact O-N 2.92Å; S182-K185 PolarHBondContact O-N 2.97Å; S182-E186 PolarHBondContact O-N 3.24Å |
| 183 | C | 98.1 | Very high | 98.2 | Very high | 79 Ų | 79 | 101.2 Ų | 101.2 | 53% | 0.534 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.5 | -40 | 178.2 | -179.1 | 0 | 0 | 0 | 0 | 111.9 | S179 V180 E186 Q187 | S179-C183 WeakPolarHBondContact O-CB 3.34Å; S179-C183 PolarHBondContact O-N 2.91Å; V180-C183 PolarHBondContact O-N 3.49Å; C183-E186 PolarHBondContact O-N 2.87Å; C183-Q187 WeakPolarHBondContact O-CB 3.49Å; C183-Q187 PolarHBondContact O-N 2.83Å |
| 184 | Q | 98.4 | Very high | 98.1 | Very high | 100 Ų | 100 | 104 Ų | 104 | 47% | 0.467 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.7 | -42.6 | 176.6 | -173.3 | 179.3 | 2.2 | 0 | 0 | 112.3 | V180 S182 Q187 Q188 | V180-Q184 PolarHBondContact O-N 3.44Å; S182-Q184 VanDerWaalsContact C-N 3.3Å; S182-Q184 PolarHBondContact O-N 2.92Å; Q184-Q187 PolarHBondContact O-N 2.74Å; Q184-Q188 WeakPolarHBondContact O-CG 3.36Å; Q184-Q188 PolarHBondContact O-N 3.07Å |
| 185 | K | 98.1 | Very high | 98.1 | Very high | 150 Ų | 150 | 102 Ų | 102 | 65% | 0.652 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.7 | -45.1 | 175.9 | -72.8 | 175.7 | -178.7 | 179.1 | 0 | 111.4 | N181 S182 Q187 Q188 A189 | N181-K185 WeakPolarHBondContact O-CG 3.48Å; N181-K185 PolarHBondContact O-N 2.97Å; S182-K185 PolarHBondContact O-N 2.97Å; K185-Q187 VanDerWaalsContact C-N 3.34Å; K185-Q187 PolarHBondContact O-N 3.43Å; K185-Q188 PolarHBondContact O-N 3.39Å; K185-A189 PolarHBondContact O-N 3.38Å |
| 186 | E | 98 | Very high | 98 | Very high | 121 Ų | 121 | 99.3 Ų | 99.3 | 57% | 0.565 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62 | -42.7 | 177 | -172.3 | 175.3 | -179.5 | 0 | 0 | 111.6 | S182 C183 Q188 A189 L190 | S182-E186 PolarHBondContact O-N 3.24Å; C183-E186 PolarHBondContact O-N 2.87Å; E186-Q188 VanDerWaalsContact C-N 3.29Å; E186-Q188 PolarHBondContact O-N 3.01Å; E186-A189 PolarHBondContact O-N 2.89Å; E186-L190 HydrophobicContact CG-CD1 4.2Å; E186-L190 WeakPolarHBondContact O-CB 3.34Å; E186-L190 WeakPolarHBondContact O-CG 3.41Å; E186-L190 PolarHBondContact O-N 2.9Å |
| 187 | Q | 98.4 | Very high | 98 | Very high | 108 Ų | 108 | 100.9 Ų | 100.9 | 51% | 0.505 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.7 | -39.5 | 175.4 | -171.1 | -173.7 | 67.6 | 0 | 0 | 112.1 | C183 Q184 K185 K191 | C183-Q187 WeakPolarHBondContact O-CB 3.49Å; C183-Q187 PolarHBondContact O-N 2.83Å; Q184-Q187 PolarHBondContact O-N 2.74Å; K185-Q187 VanDerWaalsContact C-N 3.34Å; K185-Q187 PolarHBondContact O-N 3.43Å; Q187-K191 WeakPolarHBondContact O-CG 3.36Å; Q187-K191 PolarHBondContact O-N 3.27Å; Q187-K191 VanDerWaalsContact O-N 3.14Å |
| 188 | Q | 98.1 | Very high | 98 | Very high | 107 Ų | 107 | 99 Ų | 99 | 50% | 0.5 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67 | -45.3 | 175.5 | -71.8 | 179.8 | -0.7 | 0 | 0 | 111.8 | Q184 K185 E186 L190 K191 L192 | Q184-Q188 WeakPolarHBondContact O-CG 3.36Å; Q184-Q188 PolarHBondContact O-N 3.07Å; K185-Q188 PolarHBondContact O-N 3.39Å; E186-Q188 VanDerWaalsContact C-N 3.29Å; E186-Q188 PolarHBondContact O-N 3.01Å; Q188-L190 VanDerWaalsContact C-N 3.33Å; Q188-L190 PolarHBondContact O-N 3.27Å; Q188-K191 PolarHBondContact O-N 3.47Å; Q188-L192 WeakPolarHBondContact O-CG 3.41Å; Q188-L192 PolarHBondContact O-N 2.85Å; Q188-L192 VanDerWaalsContact O-N 3.08Å |
| 189 | A | 98 | Very high | 98 | Very high | 58 Ų | 58 | 98.3 Ų | 98.3 | 48% | 0.479 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.9 | -42.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | K185 E186 L192 S193 | K185-A189 PolarHBondContact O-N 3.38Å; E186-A189 PolarHBondContact O-N 2.89Å; A189-L192 PolarHBondContact O-N 2.9Å; A189-S193 WeakPolarHBondContact O-CB 3.33Å; A189-S193 PolarHBondContact O-N 3.13Å |
| 190 | L | 98.2 | Very high | 98 | Very high | 107 Ų | 107 | 99.1 Ų | 99.1 | 56% | 0.56 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.8 | -40.4 | 176.7 | -73.9 | 172.1 | 0 | 0 | 0 | 112.5 | E186 Q188 S193 K194 | E186-L190 HydrophobicContact CG-CD1 4.2Å; E186-L190 WeakPolarHBondContact O-CB 3.34Å; E186-L190 WeakPolarHBondContact O-CG 3.41Å; E186-L190 PolarHBondContact O-N 2.9Å; Q188-L190 VanDerWaalsContact C-N 3.33Å; Q188-L190 PolarHBondContact O-N 3.27Å; L190-S193 PolarHBondContact O-N 2.98Å; L190-K194 WeakPolarHBondContact O-CB 3.49Å; L190-K194 PolarHBondContact O-N 2.93Å |
| 191 | K | 97.8 | Very high | 97.9 | Very high | 130 Ų | 130 | 99.2 Ų | 99.2 | 57% | 0.565 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62 | -43.9 | 175.3 | -76 | 173.8 | -177.8 | 174.3 | 0 | 111.7 | Q187 Q188 K194 C195 | Q187-K191 WeakPolarHBondContact O-CG 3.36Å; Q187-K191 PolarHBondContact O-N 3.27Å; Q187-K191 VanDerWaalsContact O-N 3.14Å; Q188-K191 PolarHBondContact O-N 3.47Å; K191-K194 PolarHBondContact O-N 2.97Å; K191-C195 PolarHBondContact O-N 2.93Å |
| 192 | L | 97.3 | Very high | 97.9 | Very high | 131 Ų | 131 | 100.3 Ų | 100.3 | 69% | 0.686 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.6 | -45.7 | 177.8 | -70.2 | 174.1 | 0 | 0 | 0 | 111.8 | Q188 A189 K194 C195 S196 | Q188-L192 WeakPolarHBondContact O-CG 3.41Å; Q188-L192 PolarHBondContact O-N 2.85Å; Q188-L192 VanDerWaalsContact O-N 3.08Å; A189-L192 PolarHBondContact O-N 2.9Å; L192-K194 PolarHBondContact O-N 3.46Å; L192-C195 WeakPolarHBondContact O-CB 3.4Å; L192-C195 PolarHBondContact O-N 3.35Å; L192-S196 PolarHBondContact O-N 3.41Å |
| 193 | S | 98.1 | Very high | 97.9 | Very high | 73 Ų | 73 | 99.5 Ų | 99.5 | 51% | 0.51 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.6 | -46.7 | 176.5 | -177.9 | 0 | 0 | 0 | 0 | 111.7 | A189 L190 C195 S196 Q197 | A189-S193 WeakPolarHBondContact O-CB 3.33Å; A189-S193 PolarHBondContact O-N 3.13Å; L190-S193 PolarHBondContact O-N 2.98Å; S193-C195 VanDerWaalsContact C-N 3.34Å; S193-C195 PolarHBondContact O-N 3.33Å; S193-S196 PolarHBondContact O-N 3.19Å; S193-Q197 WeakPolarHBondContact O-CB 3.09Å; S193-Q197 PolarHBondContact O-N 3.45Å |
| 194 | K | 98 | Very high | 97.9 | Very high | 134 Ų | 134 | 99.8 Ų | 99.8 | 58% | 0.583 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.9 | -40.7 | 176.7 | -173 | 177.4 | -178.1 | 178.4 | 0 | 112.5 | L190 K191 L192 N198 | L190-K194 WeakPolarHBondContact O-CB 3.49Å; L190-K194 PolarHBondContact O-N 2.93Å; K191-K194 PolarHBondContact O-N 2.97Å; L192-K194 PolarHBondContact O-N 3.46Å; K194-N198 WeakPolarHBondContact O-CB 3.32Å; K194-N198 VanDerWaalsContact O-CG 3.22Å; K194-N198 PolarHBondContact O-N 2.91Å; K194-N198 PolarHBondContact O-ND2 3.03Å |
| 195 | C | 97.8 | Very high | 97.9 | Very high | 66 Ų | 66 | 99.9 Ų | 99.9 | 45% | 0.446 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.9 | -49 | 176.5 | -172.3 | 0 | 0 | 0 | 0 | 111.3 | K191 L192 S193 Q197 N198 Q199 | K191-C195 PolarHBondContact O-N 2.93Å; L192-C195 WeakPolarHBondContact O-CB 3.4Å; L192-C195 PolarHBondContact O-N 3.35Å; S193-C195 VanDerWaalsContact C-N 3.34Å; S193-C195 PolarHBondContact O-N 3.33Å; C195-Q197 PolarHBondContact O-N 3.37Å; C195-N198 PolarHBondContact O-N 3.38Å; C195-Q199 WeakPolarHBondContact O-CG 3.29Å; C195-Q199 PolarHBondContact O-N 2.98Å |
| 196 | S | 96.7 | Very high | 97.9 | Very high | 65 Ų | 65 | 97.7 Ų | 97.7 | 46% | 0.455 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.1 | -43 | 178 | 177.9 | 0 | 0 | 0 | 0 | 112.2 | L192 S193 N198 Q199 T200 | L192-S196 PolarHBondContact O-N 3.41Å; S193-S196 PolarHBondContact O-N 3.19Å; S196-N198 VanDerWaalsContact C-N 3.34Å; S196-N198 PolarHBondContact O-N 3.47Å; S196-Q199 PolarHBondContact O-N 3.05Å; S196-T200 PolarHBondContact O-N 3.18Å; S196-T200 PolarHBondContact O-OG1 2.86Å; S196-T200 VanDerWaalsContact O-OG1 3.13Å |
| 197 | Q | 97.9 | Very high | 97.8 | Very high | 133 Ų | 133 | 98.1 Ų | 98.1 | 62% | 0.621 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.5 | -42.5 | 176.4 | -172.4 | 179 | 17.7 | 0 | 0 | 111.9 | S193 C195 T200 L201 | S193-Q197 WeakPolarHBondContact O-CB 3.09Å; S193-Q197 PolarHBondContact O-N 3.45Å; C195-Q197 PolarHBondContact O-N 3.37Å; Q197-T200 PolarHBondContact O-N 2.95Å; Q197-L201 WeakPolarHBondContact O-CB 3.31Å; Q197-L201 PolarHBondContact O-N 3.21Å |
| 198 | N | 98.2 | Very high | 97.8 | Very high | 81 Ų | 81 | 98.7 Ų | 98.7 | 43% | 0.433 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.3 | -42.9 | 176.3 | -74.7 | -13.3 | 0 | 0 | 0 | 111.7 | K194 C195 S196 T200 L201 E202 | K194-N198 WeakPolarHBondContact O-CB 3.32Å; K194-N198 VanDerWaalsContact O-CG 3.22Å; K194-N198 PolarHBondContact O-N 2.91Å; K194-N198 PolarHBondContact O-ND2 3.03Å; C195-N198 PolarHBondContact O-N 3.38Å; S196-N198 VanDerWaalsContact C-N 3.34Å; S196-N198 PolarHBondContact O-N 3.47Å; N198-T200 PolarHBondContact O-N 3.36Å; N198-L201 PolarHBondContact O-N 3.49Å; N198-E202 WeakPolarHBondContact O-CG 3.33Å; N198-E202 PolarHBondContact O-N 2.94Å |
| 199 | Q | 97.3 | Very high | 97.7 | Very high | 126 Ų | 126 | 100.1 Ų | 100.1 | 59% | 0.589 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.4 | -44.5 | 176 | -72.5 | 174 | -25 | 0 | 0 | 111.8 | C195 S196 L201 E202 A203 | C195-Q199 WeakPolarHBondContact O-CG 3.29Å; C195-Q199 PolarHBondContact O-N 2.98Å; S196-Q199 PolarHBondContact O-N 3.05Å; Q199-L201 VanDerWaalsContact C-N 3.31Å; Q199-L201 PolarHBondContact O-N 2.87Å; Q199-E202 PolarHBondContact O-N 2.62Å; Q199-A203 PolarHBondContact O-N 3.36Å |
| 200 | T | 98 | Very high | 97.6 | Very high | 87 Ų | 87 | 103.3 Ų | 103.3 | 53% | 0.534 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.2 | -41.6 | 175.3 | -59.6 | 0 | 0 | 0 | 0 | 111.4 | S196 Q197 N198 A203 V204 | S196-T200 PolarHBondContact O-N 3.18Å; S196-T200 PolarHBondContact O-OG1 2.86Å; S196-T200 VanDerWaalsContact O-OG1 3.13Å; Q197-T200 PolarHBondContact O-N 2.95Å; N198-T200 PolarHBondContact O-N 3.36Å; T200-A203 PolarHBondContact O-N 3.48Å; T200-V204 WeakPolarHBondContact O-CG2 3.24Å; T200-V204 PolarHBondContact O-N 2.93Å |
| 201 | L | 97.8 | Very high | 97.5 | Very high | 85 Ų | 85 | 101.1 Ų | 101.1 | 45% | 0.445 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.9 | -42.6 | 177.8 | -179.7 | 62.6 | 0 | 0 | 0 | 112.2 | Q197 N198 Q199 V204 K205 | Q197-L201 WeakPolarHBondContact O-CB 3.31Å; Q197-L201 PolarHBondContact O-N 3.21Å; N198-L201 PolarHBondContact O-N 3.49Å; Q199-L201 VanDerWaalsContact C-N 3.31Å; Q199-L201 PolarHBondContact O-N 2.87Å; L201-V204 PolarHBondContact O-N 3.42Å; L201-K205 WeakPolarHBondContact O-CG 3.42Å; L201-K205 PolarHBondContact O-N 3.29Å |
| 202 | E | 98.1 | Very high | 97.3 | Very high | 93 Ų | 93 | 99.1 Ų | 99.1 | 44% | 0.435 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 176.2 | -68.9 | -54.7 | 122.4 | 0 | 0 | 111.7 | N198 Q199 V204 K205 E206 | N198-E202 WeakPolarHBondContact O-CG 3.33Å; N198-E202 PolarHBondContact O-N 2.94Å; Q199-E202 PolarHBondContact O-N 2.62Å; E202-V204 VanDerWaalsContact C-N 3.3Å; E202-V204 PolarHBondContact O-N 2.76Å; E202-K205 WeakPolarHBondContact O-CB 3.18Å; E202-K205 PolarHBondContact O-N 2.91Å; E202-K205 VanDerWaalsContact O-N 3.15Å; E202-K205 IonicContact OE1-NZ 2.74Å; E202-K205 PolarHBondContact OE1-NZ 3.44Å; E202-E206 PolarHBondContact O-N 2.89Å |
| 203 | A | 97.8 | Very high | 97.1 | Very high | 55 Ų | 55 | 98.4 Ų | 98.4 | 46% | 0.455 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.8 | -38.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q199 T200 M207 | Q199-A203 PolarHBondContact O-N 3.36Å; T200-A203 PolarHBondContact O-N 3.48Å; A203-M207 WeakPolarHBondContact O-CB 3.42Å; A203-M207 PolarHBondContact O-N 3.47Å; A203-M207 VanDerWaalsContact O-N 3.11Å |
| 204 | V | 98.2 | Very high | 96.9 | Very high | 85 Ų | 85 | 99.2 Ų | 99.2 | 52% | 0.515 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.4 | -41.9 | 174.9 | 170.7 | 0 | 0 | 0 | 0 | 111.3 | T200 L201 E202 M207 H208 | T200-V204 WeakPolarHBondContact O-CG2 3.24Å; T200-V204 PolarHBondContact O-N 2.93Å; L201-V204 PolarHBondContact O-N 3.42Å; E202-V204 VanDerWaalsContact C-N 3.3Å; E202-V204 PolarHBondContact O-N 2.76Å; V204-M207 PolarHBondContact O-N 3.19Å; V204-H208 PolarHBondContact O-N 2.99Å |
| 205 | K | 97.7 | Very high | 96.6 | Very high | 102 Ų | 102 | 98 Ų | 98 | 44% | 0.443 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.5 | -47.2 | 176.4 | -73.6 | 175 | -175.9 | 170.3 | 0 | 111.8 | L201 E202 M207 H208 E209 | L201-K205 WeakPolarHBondContact O-CG 3.42Å; L201-K205 PolarHBondContact O-N 3.29Å; E202-K205 WeakPolarHBondContact O-CB 3.18Å; E202-K205 PolarHBondContact O-N 2.91Å; E202-K205 VanDerWaalsContact O-N 3.15Å; E202-K205 IonicContact OE1-NZ 2.74Å; E202-K205 PolarHBondContact OE1-NZ 3.44Å; K205-M207 VanDerWaalsContact C-N 3.29Å; K205-M207 PolarHBondContact O-N 2.8Å; K205-H208 PolarHBondContact O-N 3.2Å; K205-E209 PolarHBondContact O-N 3.1Å |
| 206 | E | 97.7 | Very high | 96.2 | Very high | 105 Ų | 105 | 101.1 Ų | 101.1 | 49% | 0.491 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.8 | -40.5 | 177.3 | -73.6 | -175.4 | -167.6 | 0 | 0 | 112 | E202 E209 K210 | E202-E206 PolarHBondContact O-N 2.89Å; E206-E209 PolarHBondContact O-N 3.16Å; E206-K210 WeakPolarHBondContact O-CB 3.48Å; E206-K210 VanDerWaalsContact O-CG 3.29Å; E206-K210 WeakPolarHBondContact O-CG 3.3Å; E206-K210 PolarHBondContact O-N 3.2Å; E206-K210 IonicContact OE2-NZ 3.87Å |
| 207 | M | 97.2 | Very high | 95.9 | Very high | 130 Ų | 130 | 102.2 Ų | 102.2 | 64% | 0.64 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.9 | -41.3 | 177.1 | -172.1 | -173.1 | -60.3 | 0 | 0 | 111.7 | A203 V204 K205 S211 | A203-M207 WeakPolarHBondContact O-CB 3.42Å; A203-M207 PolarHBondContact O-N 3.47Å; A203-M207 VanDerWaalsContact O-N 3.11Å; V204-M207 PolarHBondContact O-N 3.19Å; K205-M207 VanDerWaalsContact C-N 3.29Å; K205-M207 PolarHBondContact O-N 2.8Å; M207-S211 WeakPolarHBondContact O-CB 3.28Å; M207-S211 PolarHBondContact O-N 3.37Å; M207-S211 PolarHBondContact O-OG 3.1Å |
| 208 | H | 97.3 | Very high | 95.3 | Very high | 120 Ų | 120 | 100.5 Ų | 100.5 | 56% | 0.556 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.7 | -46.1 | 176.3 | 175.2 | -92.5 | 0 | 0 | 0 | 111.6 | V204 K205 K210 S211 M212 | V204-H208 PolarHBondContact O-N 2.99Å; K205-H208 PolarHBondContact O-N 3.2Å; H208-K210 PolarHBondContact O-N 2.94Å; H208-S211 WeakPolarHBondContact O-CB 3.48Å; H208-S211 PolarHBondContact O-N 2.91Å; H208-S211 VanDerWaalsContact O-N 3.16Å; H208-M212 WeakPolarHBondContact O-CG 3.22Å; H208-M212 PolarHBondContact O-N 2.75Å |
| 209 | E | 96.5 | Very high | 94.3 | Very high | 137 Ų | 137 | 99.4 Ų | 99.4 | 64% | 0.64 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -59.7 | -47.7 | 178 | -173.6 | 171.3 | -165.6 | 0 | 0 | 111.7 | K205 E206 S211 M212 E213 | K205-E209 PolarHBondContact O-N 3.1Å; E206-E209 PolarHBondContact O-N 3.16Å; E209-S211 VanDerWaalsContact C-N 3.28Å; E209-S211 PolarHBondContact O-N 3.24Å; E209-M212 PolarHBondContact O-N 3.39Å; E209-E213 PolarHBondContact O-N 2.95Å |
| 210 | K | 95.9 | Very high | 92.9 | Very high | 125 Ų | 125 | 98.6 Ų | 98.6 | 54% | 0.543 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -58.7 | -39.2 | 174.2 | -72.5 | 170.5 | -173.8 | 163.4 | 0 | 112.4 | E206 H208 E213 V214 | E206-K210 WeakPolarHBondContact O-CB 3.48Å; E206-K210 VanDerWaalsContact O-CG 3.29Å; E206-K210 WeakPolarHBondContact O-CG 3.3Å; E206-K210 PolarHBondContact O-N 3.2Å; E206-K210 IonicContact OE2-NZ 3.87Å; H208-K210 PolarHBondContact O-N 2.94Å; K210-E213 PolarHBondContact O-N 3.14Å; K210-V214 WeakPolarHBondContact O-CG2 3.44Å; K210-V214 PolarHBondContact O-N 3.41Å; K210-V214 VanDerWaalsContact O-N 3.1Å |
| 211 | S | 95.4 | Very high | 91.1 | Very high | 61 Ų | 61 | 102.2 Ų | 102.2 | 43% | 0.427 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.7 | -42.8 | 178.3 | -58.9 | 0 | 0 | 0 | 0 | 111.7 | M207 H208 E209 V214 L215 | M207-S211 WeakPolarHBondContact O-CB 3.28Å; M207-S211 PolarHBondContact O-N 3.37Å; M207-S211 PolarHBondContact O-OG 3.1Å; H208-S211 WeakPolarHBondContact O-CB 3.48Å; H208-S211 PolarHBondContact O-N 2.91Å; H208-S211 VanDerWaalsContact O-N 3.16Å; E209-S211 VanDerWaalsContact C-N 3.28Å; E209-S211 PolarHBondContact O-N 3.24Å; S211-V214 PolarHBondContact O-N 2.94Å; S211-L215 WeakPolarHBondContact O-CG 3.1Å; S211-L215 PolarHBondContact O-N 3.34Å; S211-L215 VanDerWaalsContact O-N 3.08Å |
| 212 | M | 93.9 | Very high | 88.9 | Confident | 88 Ų | 88 | 111 Ų | 111 | 43% | 0.433 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64 | -41.1 | 176.2 | -71.1 | -62.7 | -67.9 | 0 | 0 | 111.7 | H208 E209 V214 L215 M216 | H208-M212 WeakPolarHBondContact O-CG 3.22Å; H208-M212 PolarHBondContact O-N 2.75Å; E209-M212 PolarHBondContact O-N 3.39Å; M212-V214 PolarHBondContact O-N 3.47Å; M212-L215 PolarHBondContact O-N 3.25Å; M212-L215 HydrophobicContact SD-CD1 4.44Å; M212-M216 WeakPolarHBondContact O-CG 3.4Å; M212-M216 PolarHBondContact O-N 2.94Å |
| 213 | E | 94.4 | Very high | 88.4 | Confident | 116 Ų | 116 | 112 Ų | 112 | 54% | 0.542 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -60.2 | -45.1 | 175.6 | -175.1 | 178.5 | -173 | 0 | 0 | 111.9 | E209 K210 L215 M216 N217 | E209-E213 PolarHBondContact O-N 2.95Å; K210-E213 PolarHBondContact O-N 3.14Å; E213-L215 VanDerWaalsContact C-N 3.33Å; E213-L215 PolarHBondContact O-N 3.4Å; E213-M216 PolarHBondContact O-N 3.42Å; E213-N217 WeakPolarHBondContact O-CB 3.36Å; E213-N217 VanDerWaalsContact O-CG 3.25Å; E213-N217 PolarHBondContact O-N 3.21Å; E213-N217 PolarHBondContact O-ND2 3.45Å |
| 214 | V | 93.7 | Very high | 87.9 | Confident | 89 Ų | 89 | 114.9 Ų | 114.9 | 54% | 0.539 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -59.8 | -43.4 | 175.2 | 171 | 0 | 0 | 0 | 0 | 111.3 | K210 S211 M212 L218 | K210-V214 WeakPolarHBondContact O-CG2 3.44Å; K210-V214 PolarHBondContact O-N 3.41Å; K210-V214 VanDerWaalsContact O-N 3.1Å; S211-V214 PolarHBondContact O-N 2.94Å; M212-V214 PolarHBondContact O-N 3.47Å; V214-L218 HydrophobicContact CG1-CD1 4.2Å; V214-L218 WeakPolarHBondContact O-CG 3.21Å; V214-L218 PolarHBondContact O-N 3.34Å |
| 215 | L | 91.1 | Very high | 87.4 | Confident | 110 Ų | 110 | 116.6 Ų | 116.6 | 58% | 0.576 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.7 | -42.2 | 177.9 | -71.2 | 170.7 | 0 | 0 | 0 | 112.4 | S211 M212 E213 L218 G219 | S211-L215 WeakPolarHBondContact O-CG 3.1Å; S211-L215 PolarHBondContact O-N 3.34Å; S211-L215 VanDerWaalsContact O-N 3.08Å; M212-L215 PolarHBondContact O-N 3.25Å; M212-L215 HydrophobicContact SD-CD1 4.44Å; E213-L215 VanDerWaalsContact C-N 3.33Å; E213-L215 PolarHBondContact O-N 3.4Å; L215-L218 PolarHBondContact O-N 3.07Å; L215-G219 PolarHBondContact O-N 3.33Å; L215-G219 VanDerWaalsContact O-N 3.1Å |
| 216 | M | 90.2 | Very high | 86.8 | Confident | 131 Ų | 131 | 117.5 Ų | 117.5 | 65% | 0.645 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.5 | -40.1 | 177.6 | -73.1 | -177.1 | 67.6 | 0 | 0 | 112.4 | M212 E213 L218 G219 T220 | M212-M216 WeakPolarHBondContact O-CG 3.4Å; M212-M216 PolarHBondContact O-N 2.94Å; E213-M216 PolarHBondContact O-N 3.42Å; M216-L218 VanDerWaalsContact C-N 3.27Å; M216-L218 PolarHBondContact O-N 3.32Å; M216-G219 PolarHBondContact O-N 3.43Å; M216-T220 PolarHBondContact O-N 3.45Å; M216-T220 PolarHBondContact O-OG1 3.01Å |
| 217 | N | 89.5 | Confident | 86.1 | Confident | 87 Ų | 87 | 118.3 Ų | 118.3 | 47% | 0.465 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -69.9 | -21.2 | 177.1 | -71.4 | -26.4 | 0 | 0 | 0 | 113.4 | E213 T220 | E213-N217 WeakPolarHBondContact O-CB 3.36Å; E213-N217 VanDerWaalsContact O-CG 3.25Å; E213-N217 PolarHBondContact O-N 3.21Å; E213-N217 PolarHBondContact O-ND2 3.45Å; N217-T220 PolarHBondContact O-OG1 3.34Å |
| 218 | L | 84.5 | Confident | 85.3 | Confident | 98 Ų | 98 | 117.5 Ų | 117.5 | 51% | 0.513 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -81.3 | -38.8 | 172.1 | -72.9 | 167 | 0 | 0 | 0 | 111.9 | V214 L215 M216 T220 K221 | V214-L218 HydrophobicContact CG1-CD1 4.2Å; V214-L218 WeakPolarHBondContact O-CG 3.21Å; V214-L218 PolarHBondContact O-N 3.34Å; L215-L218 PolarHBondContact O-N 3.07Å; M216-L218 VanDerWaalsContact C-N 3.27Å; M216-L218 PolarHBondContact O-N 3.32Å; L218-T220 VanDerWaalsContact C-N 3.27Å; L218-T220 PolarHBondContact O-N 3.19Å; L218-K221 PolarHBondContact O-N 3.04Å |
| 219 | G | 78.3 | Confident | 84.5 | Confident | 58 Ų | 58 | 117.3 Ų | 117.3 | 60% | 0.598 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -68.8 | -20.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | L215 M216 | L215-G219 PolarHBondContact O-N 3.33Å; L215-G219 VanDerWaalsContact O-N 3.1Å; M216-G219 PolarHBondContact O-N 3.43Å |
| 220 | T | 67.9 | Low | 83.5 | Confident | 108 Ų | 108 | 115.8 Ų | 115.8 | 66% | 0.663 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | -2.2 | 179 | 34.2 | 0 | 0 | 0 | 0 | 114.4 | M216 N217 L218 Y222 | M216-T220 PolarHBondContact O-N 3.45Å; M216-T220 PolarHBondContact O-OG1 3.01Å; N217-T220 PolarHBondContact O-OG1 3.34Å; L218-T220 VanDerWaalsContact C-N 3.27Å; L218-T220 PolarHBondContact O-N 3.19Å; T220-Y222 VanDerWaalsContact C-N 3.32Å |
| 221 | K | 60.7 | Low | 82.5 | Confident | 164 Ų | 164 | 115 Ų | 115 | 71% | 0.713 | 60% | 0.598 | S | S | * | * | trans | -88.5 | 9.8 | 179.7 | -74.5 | -174.6 | -179.1 | -178.5 | 0 | 114.7 | L218 | L218-K221 PolarHBondContact O-N 3.04Š| ||
| 222 | Y | 50.6 | Low | 81.3 | Confident | 270 Ų | 270 | 119.9 Ų | 119.9 | 100% | 1.059 | 61% | 0.613 | S | S | * | * | trans | -132.6 | 0 | 175.9 | -61.2 | -76.6 | 0 | 0 | 0 | 109.9 | T220 | T220-Y222 VanDerWaalsContact C-N 3.32Š|
Retrieved 222 of 222 residues in 825.9 ms
(Link to these results)