| 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 | 60.7 | Low | 80 | Confident | 203 Ų | 203 | 120.5 Ų | 120.5 | 100% | 1 | 62% | 0.618 | S | S | * | * | 0 | -47 | 0 | -77 | -66 | 169.4 | 0 | 0 | 112.1 | L5 | M1-L5 PolarHBondContact O-N 2.76Š| |||
| 2 | A | 70.7 | Confident | 80.8 | Confident | 75 Ų | 75 | 119.3 Ų | 119.3 | 62% | 0.62 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -62.3 | -44.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115 | L4 L5 K6 | A2-L4 VanDerWaalsContact C-N 3.35Å; A2-L4 PolarHBondContact O-N 2.92Å; A2-L5 PolarHBondContact O-N 3.02Å; A2-K6 PolarHBondContact O-N 2.89Å |
| 3 | D | 75.1 | Confident | 81.5 | Confident | 132 Ų | 132 | 119.5 Ų | 119.5 | 71% | 0.706 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -67.2 | -34 | -178.4 | -65.3 | -32.9 | 0 | 0 | 0 | 113.5 | L5 K6 L7 | D3-L5 VanDerWaalsContact C-N 3.33Å; D3-K6 PolarHBondContact O-N 3.07Å; D3-L7 WeakPolarHBondContact O-CB 3.36Å; D3-L7 PolarHBondContact O-N 3.41Å |
| 4 | L | 78.1 | Confident | 82.3 | Confident | 108 Ų | 108 | 121.1 Ų | 121.1 | 57% | 0.565 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -69.9 | -33.2 | 178.1 | -157.8 | 147.2 | 0 | 0 | 0 | 111.5 | A2 K8 | A2-L4 VanDerWaalsContact C-N 3.35Å; A2-L4 PolarHBondContact O-N 2.92Å; L4-K8 HydrophobicContact CD2-CD 4.19Å; L4-K8 WeakPolarHBondContact O-CB 3.46Å; L4-K8 WeakPolarHBondContact O-CG 3.39Å; L4-K8 PolarHBondContact O-N 3.31Å; L4-K8 VanDerWaalsContact O-N 3.07Å |
| 5 | L | 81.1 | Confident | 82.9 | Confident | 113 Ų | 113 | 118.7 Ų | 118.7 | 59% | 0.592 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -70.2 | -41.4 | 171.9 | -71 | 168.9 | 0 | 0 | 0 | 111.6 | M1 A2 D3 L7 K8 Q9 | M1-L5 PolarHBondContact O-N 2.76Å; A2-L5 PolarHBondContact O-N 3.02Å; D3-L5 VanDerWaalsContact C-N 3.33Å; L5-L7 PolarHBondContact O-N 3.35Å; L5-K8 PolarHBondContact O-N 3.03Å; L5-Q9 WeakPolarHBondContact O-CB 3.35Å; L5-Q9 PolarHBondContact O-N 3.37Å |
| 6 | K | 82.1 | Confident | 83.4 | Confident | 137 Ų | 137 | 115.3 Ų | 115.3 | 60% | 0.596 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -61.5 | -43.5 | 176.3 | -137.8 | 177.3 | -172.1 | 178.8 | 0 | 111.7 | A2 D3 Q9 Q10 | A2-K6 PolarHBondContact O-N 2.89Å; D3-K6 PolarHBondContact O-N 3.07Å; K6-Q9 PolarHBondContact O-N 2.97Å; K6-Q10 WeakPolarHBondContact O-CG 3.42Å; K6-Q10 PolarHBondContact O-N 3.42Å |
| 7 | L | 84.6 | Confident | 84 | Confident | 111 Ų | 111 | 114.5 Ų | 114.5 | 58% | 0.581 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -68.4 | -39.2 | 178.2 | -156.2 | 130.5 | 0 | 0 | 0 | 111.8 | D3 L5 Q9 Q10 V11 | D3-L7 WeakPolarHBondContact O-CB 3.36Å; D3-L7 PolarHBondContact O-N 3.41Å; L5-L7 PolarHBondContact O-N 3.35Å; L7-Q9 VanDerWaalsContact C-N 3.34Å; L7-Q10 PolarHBondContact O-N 3.28Å; L7-V11 VanDerWaalsContact O-CG2 3.27Å; L7-V11 WeakPolarHBondContact O-CG2 3.27Å; L7-V11 PolarHBondContact O-N 3.34Å |
| 8 | K | 84.6 | Confident | 84.5 | Confident | 130 Ų | 130 | 114.9 Ų | 114.9 | 57% | 0.565 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -61.1 | -42.6 | 170.8 | -81.5 | -176.8 | 175.1 | -175.2 | 0 | 112.1 | L4 L5 V11 E12 | L4-K8 HydrophobicContact CD2-CD 4.19Å; L4-K8 WeakPolarHBondContact O-CB 3.46Å; L4-K8 WeakPolarHBondContact O-CG 3.39Å; L4-K8 PolarHBondContact O-N 3.31Å; L4-K8 VanDerWaalsContact O-N 3.07Å; L5-K8 PolarHBondContact O-N 3.03Å; K8-V11 PolarHBondContact O-N 3.49Å; K8-E12 WeakPolarHBondContact O-CG 3.5Å; K8-E12 PolarHBondContact O-N 3.28Å |
| 9 | Q | 86.8 | Confident | 85 | Confident | 132 Ų | 132 | 116.7 Ų | 116.7 | 62% | 0.617 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -63.4 | -45.5 | 177.9 | -169.8 | 171.3 | 7.4 | 0 | 0 | 111.2 | L5 K6 L7 V11 E12 E13 | L5-Q9 WeakPolarHBondContact O-CB 3.35Å; L5-Q9 PolarHBondContact O-N 3.37Å; K6-Q9 PolarHBondContact O-N 2.97Å; L7-Q9 VanDerWaalsContact C-N 3.34Å; Q9-V11 VanDerWaalsContact C-N 3.34Å; Q9-V11 PolarHBondContact O-N 3.12Å; Q9-E12 PolarHBondContact O-N 2.93Å; Q9-E13 WeakPolarHBondContact O-CB 3.48Å; Q9-E13 PolarHBondContact O-N 3.5Å |
| 10 | Q | 87.3 | Confident | 85.5 | Confident | 119 Ų | 119 | 114.7 Ų | 114.7 | 56% | 0.556 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -61.6 | -39.2 | 175.4 | -74.2 | -178.8 | -33.8 | 0 | 0 | 113 | K6 L7 E13 F14 | K6-Q10 WeakPolarHBondContact O-CG 3.42Å; K6-Q10 PolarHBondContact O-N 3.42Å; L7-Q10 PolarHBondContact O-N 3.28Å; Q10-E13 PolarHBondContact O-N 3.4Å; Q10-F14 VanDerWaalsContact O-CB 3.3Å; Q10-F14 WeakPolarHBondContact O-CB 3.37Å; Q10-F14 PolarHBondContact O-N 3Å |
| 11 | V | 88.8 | Confident | 85.9 | Confident | 66 Ų | 66 | 116.7 Ų | 116.7 | 40% | 0.4 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.4 | -40 | 176 | 168.3 | 0 | 0 | 0 | 0 | 111.3 | L7 K8 Q9 K15 | L7-V11 VanDerWaalsContact O-CG2 3.27Å; L7-V11 WeakPolarHBondContact O-CG2 3.27Å; L7-V11 PolarHBondContact O-N 3.34Å; K8-V11 PolarHBondContact O-N 3.49Å; Q9-V11 VanDerWaalsContact C-N 3.34Å; Q9-V11 PolarHBondContact O-N 3.12Å; V11-K15 WeakPolarHBondContact O-CG 3.3Å; V11-K15 PolarHBondContact O-N 3.44Å |
| 12 | E | 89.5 | Confident | 87.5 | Confident | 106 Ų | 106 | 110.9 Ų | 110.9 | 50% | 0.495 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -71.9 | -36.1 | 176.7 | -70.5 | -52.4 | 134.1 | 0 | 0 | 112.6 | K8 Q9 K15 S16 | K8-E12 WeakPolarHBondContact O-CG 3.5Å; K8-E12 PolarHBondContact O-N 3.28Å; Q9-E12 PolarHBondContact O-N 2.93Å; E12-K15 PolarHBondContact O-N 2.9Å; E12-K15 IonicContact OE1-NZ 2.76Å; E12-K15 PolarHBondContact OE1-NZ 3.46Å; E12-S16 WeakPolarHBondContact O-CB 3.45Å; E12-S16 PolarHBondContact O-N 2.86Å |
| 13 | E | 90.3 | Very high | 88.6 | Confident | 122 Ų | 122 | 116.2 Ų | 116.2 | 57% | 0.57 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.7 | -45.4 | 172.5 | -131 | 167.1 | -164.9 | 0 | 0 | 111.2 | Q9 Q10 K15 S16 E17 | Q9-E13 WeakPolarHBondContact O-CB 3.48Å; Q9-E13 PolarHBondContact O-N 3.5Å; Q10-E13 PolarHBondContact O-N 3.4Å; E13-K15 PolarHBondContact O-N 3.22Å; E13-S16 WeakPolarHBondContact O-CB 3.5Å; E13-S16 PolarHBondContact O-N 3.26Å; E13-E17 PolarHBondContact O-N 3.47Å |
| 14 | F | 92.1 | Very high | 89.5 | Confident | 141 Ų | 141 | 116 Ų | 116 | 62% | 0.618 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -60.9 | -44.2 | 175.5 | 176.6 | -99.1 | 0 | 0 | 0 | 112.2 | Q10 E17 Y18 | Q10-F14 VanDerWaalsContact O-CB 3.3Å; Q10-F14 WeakPolarHBondContact O-CB 3.37Å; Q10-F14 PolarHBondContact O-N 3Å; F14-E17 PolarHBondContact O-N 3.39Å; F14-Y18 WeakPolarHBondContact O-CB 3.38Å; F14-Y18 PolarHBondContact O-N 2.92Å |
| 15 | K | 92.2 | Very high | 90.2 | Very high | 86 Ų | 86 | 113.3 Ų | 113.3 | 37% | 0.374 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.2 | -45 | 174.5 | -76.7 | 176 | -170.7 | 167.8 | 0 | 111.3 | V11 E12 E13 Y18 Y19 | V11-K15 WeakPolarHBondContact O-CG 3.3Å; V11-K15 PolarHBondContact O-N 3.44Å; E12-K15 PolarHBondContact O-N 2.9Å; E12-K15 IonicContact OE1-NZ 2.76Å; E12-K15 PolarHBondContact OE1-NZ 3.46Å; E13-K15 PolarHBondContact O-N 3.22Å; K15-Y18 WeakPolarHBondContact O-CB 3.4Å; K15-Y18 PolarHBondContact O-N 2.87Å; K15-Y19 HydrophobicContact CB-CD2 4.41Å; K15-Y19 HydrophobicContact CB-CE2 4.25Å; K15-Y19 WeakPolarHBondContact O-CD2 3.01Å; K15-Y19 PolarHBondContact O-N 2.89Å |
| 16 | S | 90.9 | Very high | 90.8 | Very high | 64 Ų | 64 | 113.2 Ų | 113.2 | 45% | 0.448 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.9 | -47 | 178.2 | -175.7 | 0 | 0 | 0 | 0 | 111.6 | E12 E13 Y18 Y19 N20 | E12-S16 WeakPolarHBondContact O-CB 3.45Å; E12-S16 PolarHBondContact O-N 2.86Å; E13-S16 WeakPolarHBondContact O-CB 3.5Å; E13-S16 PolarHBondContact O-N 3.26Å; S16-Y18 PolarHBondContact O-N 2.92Å; S16-Y19 PolarHBondContact O-N 3.39Å; S16-N20 WeakPolarHBondContact O-CB 3.45Å; S16-N20 VanDerWaalsContact O-CG 3.29Å; S16-N20 PolarHBondContact O-N 3.22Å; S16-N20 PolarHBondContact O-ND2 3.43Å |
| 17 | E | 92.9 | Very high | 91.4 | Very high | 101 Ų | 101 | 110.1 Ų | 110.1 | 47% | 0.472 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.8 | -45 | 174 | -78.7 | -157.7 | 160.3 | 0 | 0 | 112.3 | E13 F14 Y19 N20 R21 | E13-E17 PolarHBondContact O-N 3.47Å; F14-E17 PolarHBondContact O-N 3.39Å; E17-Y19 PolarHBondContact O-N 2.97Å; E17-N20 PolarHBondContact O-N 3.47Å; E17-R21 WeakPolarHBondContact O-CG 3.36Å; E17-R21 PolarHBondContact O-N 3.05Å; E17-R21 IonicContact OE2-CZ 3.23Å; E17-R21 IonicContact OE2-NH2 2.74Å; E17-R21 PolarHBondContact OE2-NH2 2.93Å |
| 18 | Y | 93.8 | Very high | 91.9 | Very high | 123 Ų | 123 | 108.3 Ų | 108.3 | 48% | 0.482 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.6 | -49.6 | 178.3 | 175 | -97.8 | 0 | 0 | 0 | 111.5 | F14 K15 S16 N20 R21 N22 | F14-Y18 WeakPolarHBondContact O-CB 3.38Å; F14-Y18 PolarHBondContact O-N 2.92Å; K15-Y18 WeakPolarHBondContact O-CB 3.4Å; K15-Y18 PolarHBondContact O-N 2.87Å; S16-Y18 PolarHBondContact O-N 2.92Å; Y18-N20 VanDerWaalsContact C-N 3.34Å; Y18-N20 PolarHBondContact O-N 3.39Å; Y18-R21 PolarHBondContact O-N 3.24Å; Y18-N22 WeakPolarHBondContact O-CB 3.38Å; Y18-N22 PolarHBondContact O-N 2.94Å |
| 19 | Y | 94.4 | Very high | 92.4 | Very high | 149 Ų | 149 | 108.9 Ų | 108.9 | 58% | 0.584 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.8 | -37.5 | 178.6 | -72.7 | -60.3 | 0 | 0 | 0 | 112.6 | K15 S16 E17 N22 R23 | K15-Y19 HydrophobicContact CB-CD2 4.41Å; K15-Y19 HydrophobicContact CB-CE2 4.25Å; K15-Y19 WeakPolarHBondContact O-CD2 3.01Å; K15-Y19 PolarHBondContact O-N 2.89Å; S16-Y19 PolarHBondContact O-N 3.39Å; E17-Y19 PolarHBondContact O-N 2.97Å; Y19-N22 PolarHBondContact O-N 3.36Å; Y19-R23 WeakPolarHBondContact O-CB 3.37Å; Y19-R23 PolarHBondContact O-N 3.45Å |
| 20 | N | 94.1 | Very high | 92.9 | Very high | 75 Ų | 75 | 111 Ų | 111 | 40% | 0.401 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65 | -44.4 | 176.2 | -77.5 | -28.2 | 0 | 0 | 0 | 111.9 | S16 E17 Y18 N22 R23 Q24 | S16-N20 WeakPolarHBondContact O-CB 3.45Å; S16-N20 VanDerWaalsContact O-CG 3.29Å; S16-N20 PolarHBondContact O-N 3.22Å; S16-N20 PolarHBondContact O-ND2 3.43Å; E17-N20 PolarHBondContact O-N 3.47Å; Y18-N20 VanDerWaalsContact C-N 3.34Å; Y18-N20 PolarHBondContact O-N 3.39Å; N20-N22 VanDerWaalsContact C-N 3.34Å; N20-N22 PolarHBondContact O-N 3.5Å; N20-R23 PolarHBondContact O-N 2.98Å; N20-Q24 WeakPolarHBondContact O-CG 3.36Å; N20-Q24 PolarHBondContact O-N 2.96Å |
| 21 | R | 93.7 | Very high | 93.3 | Very high | 158 Ų | 158 | 112.3 Ų | 112.3 | 60% | 0.596 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.1 | -41.9 | 174.8 | -71.3 | 179.8 | -169.4 | 170.9 | 11.4 | 111.5 | E17 Y18 R23 Q24 A25 | E17-R21 WeakPolarHBondContact O-CG 3.36Å; E17-R21 PolarHBondContact O-N 3.05Å; E17-R21 IonicContact OE2-CZ 3.23Å; E17-R21 IonicContact OE2-NH2 2.74Å; E17-R21 PolarHBondContact OE2-NH2 2.93Å; Y18-R21 PolarHBondContact O-N 3.24Å; R21-R23 PolarHBondContact O-N 3.34Å; R21-Q24 PolarHBondContact O-N 2.87Å; R21-A25 WeakPolarHBondContact O-CB 3.5Å; R21-A25 PolarHBondContact O-N 3.36Å |
| 22 | N | 94.3 | Very high | 93.7 | Very high | 80 Ų | 80 | 114.7 Ų | 114.7 | 43% | 0.428 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.2 | -39.4 | 178 | -125.2 | 9.9 | 0 | 0 | 0 | 112.1 | Y18 Y19 N20 A25 E26 | Y18-N22 WeakPolarHBondContact O-CB 3.38Å; Y18-N22 PolarHBondContact O-N 2.94Å; Y19-N22 PolarHBondContact O-N 3.36Å; N20-N22 VanDerWaalsContact C-N 3.34Å; N20-N22 PolarHBondContact O-N 3.5Å; N22-A25 PolarHBondContact O-N 3.4Å; N22-E26 PolarHBondContact O-N 2.99Å |
| 23 | R | 93.8 | Very high | 94 | Very high | 187 Ų | 187 | 113.1 Ų | 113.1 | 71% | 0.706 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.6 | -42.8 | 175.8 | -173.6 | -177.5 | -69.5 | 176.6 | -1.4 | 111.8 | Y19 N20 R21 A27 | Y19-R23 WeakPolarHBondContact O-CB 3.37Å; Y19-R23 PolarHBondContact O-N 3.45Å; N20-R23 PolarHBondContact O-N 2.98Å; R21-R23 PolarHBondContact O-N 3.34Å; R23-A27 WeakPolarHBondContact O-CB 3.31Å; R23-A27 PolarHBondContact O-N 3.48Å |
| 24 | Q | 93.7 | Very high | 94.4 | Very high | 128 Ų | 128 | 111.6 Ų | 111.6 | 60% | 0.598 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.7 | -42.4 | 175.6 | -72.1 | 175 | 0.2 | 0 | 0 | 111.7 | N20 R21 A27 N28 | N20-Q24 WeakPolarHBondContact O-CG 3.36Å; N20-Q24 PolarHBondContact O-N 2.96Å; R21-Q24 PolarHBondContact O-N 2.87Å; Q24-A27 PolarHBondContact O-N 2.91Å; Q24-N28 PolarHBondContact O-N 3.32Å |
| 25 | A | 93.1 | Very high | 94.6 | Very high | 51 Ų | 51 | 107 Ų | 107 | 42% | 0.421 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61 | -46.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | R21 N22 N28 R29 | R21-A25 WeakPolarHBondContact O-CB 3.5Å; R21-A25 PolarHBondContact O-N 3.36Å; N22-A25 PolarHBondContact O-N 3.4Å; A25-N28 PolarHBondContact O-N 2.9Å; A25-R29 WeakPolarHBondContact O-CA 3.37Å; A25-R29 VanDerWaalsContact O-CB 3.31Å; A25-R29 WeakPolarHBondContact O-CB 3.4Å; A25-R29 PolarHBondContact O-N 3.36Å |
| 26 | E | 94.5 | Very high | 94.9 | Very high | 112 Ų | 112 | 104.9 Ų | 104.9 | 52% | 0.523 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.8 | -34.9 | 177.1 | -83.8 | -64.5 | 167.9 | 0 | 0 | 113.1 | N22 N28 R29 | N22-E26 PolarHBondContact O-N 2.99Å; E26-N28 PolarHBondContact O-N 3.49Å; E26-R29 IonicContact OE1-NH1 3.05Å; E26-R29 PolarHBondContact OE1-NH1 3.32Å; E26-R29 VanDerWaalsContact OE1-NH1 3.12Å; E26-R29 WeakPolarHBondContact OE2-CD 3.24Å; E26-R29 IonicContact OE2-NH1 3.12Å; E26-R29 PolarHBondContact OE2-NH1 3.48Å |
| 27 | A | 93.9 | Very high | 95.2 | Very high | 71 Ų | 71 | 105.6 Ų | 105.6 | 59% | 0.587 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.8 | -42.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | R23 Q24 | R23-A27 WeakPolarHBondContact O-CB 3.31Å; R23-A27 PolarHBondContact O-N 3.48Å; Q24-A27 PolarHBondContact O-N 2.91Å |
| 28 | N | 95.4 | Very high | 95.5 | Very high | 74 Ų | 74 | 108.8 Ų | 108.8 | 40% | 0.396 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -86.6 | -18.9 | -176.5 | -65.9 | -9.9 | 0 | 0 | 0 | 114 | Q24 A25 E26 K30 E31 E32 | Q24-N28 PolarHBondContact O-N 3.32Å; A25-N28 PolarHBondContact O-N 2.9Å; E26-N28 PolarHBondContact O-N 3.49Å; N28-K30 VanDerWaalsContact C-N 3.26Å; N28-K30 PolarHBondContact O-N 2.95Å; N28-K30 VanDerWaalsContact O-N 3.08Å; N28-E31 PolarHBondContact O-N 2.99Å; N28-E32 HydrophobicContact CB-CG 4.32Å; N28-E32 PolarHBondContact O-N 2.67Å |
| 29 | R | 95.7 | Very high | 95.7 | Very high | 141 Ų | 141 | 108.5 Ų | 108.5 | 53% | 0.532 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -47.6 | -44.8 | -173.3 | 179.1 | -179 | 168.9 | -164.6 | -2.4 | 113.6 | A25 E26 T33 | A25-R29 WeakPolarHBondContact O-CA 3.37Å; A25-R29 VanDerWaalsContact O-CB 3.31Å; A25-R29 WeakPolarHBondContact O-CB 3.4Å; A25-R29 PolarHBondContact O-N 3.36Å; E26-R29 IonicContact OE1-NH1 3.05Å; E26-R29 PolarHBondContact OE1-NH1 3.32Å; E26-R29 VanDerWaalsContact OE1-NH1 3.12Å; E26-R29 WeakPolarHBondContact OE2-CD 3.24Å; E26-R29 IonicContact OE2-NH1 3.12Å; E26-R29 PolarHBondContact OE2-NH1 3.48Å; R29-T33 VanDerWaalsContact O-CB 3.24Å; R29-T33 WeakPolarHBondContact O-CB 3.37Å; R29-T33 PolarHBondContact O-N 2.93Å; R29-T33 PolarHBondContact O-OG1 3.03Å |
| 30 | K | 96.3 | Very high | 95.9 | Very high | 178 Ų | 178 | 106.1 Ų | 106.1 | 77% | 0.774 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.6 | -43.9 | -179.1 | -73.9 | -177.2 | -179.9 | 175.1 | 0 | 112.1 | N28 T33 Q34 | N28-K30 VanDerWaalsContact C-N 3.26Å; N28-K30 PolarHBondContact O-N 2.95Å; N28-K30 VanDerWaalsContact O-N 3.08Å; K30-T33 PolarHBondContact O-N 3.08Å; K30-Q34 WeakPolarHBondContact O-CB 3.36Å; K30-Q34 PolarHBondContact O-N 3.48Å |
| 31 | E | 95.8 | Very high | 96.1 | Very high | 145 Ų | 145 | 105.5 Ų | 105.5 | 68% | 0.678 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.4 | -45 | -179.5 | -62.9 | -168.1 | 164.4 | 0 | 0 | 111.1 | N28 T33 Q34 A35 | N28-E31 PolarHBondContact O-N 2.99Å; E31-T33 PolarHBondContact O-N 2.96Å; E31-Q34 PolarHBondContact O-N 3.38Å; E31-A35 WeakPolarHBondContact O-CB 3.35Å; E31-A35 PolarHBondContact O-N 3.33Å |
| 32 | E | 96.4 | Very high | 96.3 | Very high | 117 Ų | 117 | 106 Ų | 106 | 55% | 0.547 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.2 | -44.4 | 175.9 | -69.2 | 177.7 | -173.9 | 0 | 0 | 111.5 | N28 Q34 A35 A36 | N28-E32 HydrophobicContact CB-CG 4.32Å; N28-E32 PolarHBondContact O-N 2.67Å; E32-Q34 PolarHBondContact O-N 3.47Å; E32-A35 PolarHBondContact O-N 2.87Å; E32-A36 WeakPolarHBondContact O-CB 3.33Å; E32-A36 PolarHBondContact O-N 2.95Å |
| 33 | T | 97.5 | Very high | 96.5 | Very high | 72 Ų | 72 | 108 Ų | 108 | 44% | 0.442 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.1 | -44.1 | 176.3 | -58 | 0 | 0 | 0 | 0 | 111 | R29 K30 E31 A36 I37 | R29-T33 VanDerWaalsContact O-CB 3.24Å; R29-T33 WeakPolarHBondContact O-CB 3.37Å; R29-T33 PolarHBondContact O-N 2.93Å; R29-T33 PolarHBondContact O-OG1 3.03Å; K30-T33 PolarHBondContact O-N 3.08Å; E31-T33 PolarHBondContact O-N 2.96Å; T33-A36 PolarHBondContact O-N 3.37Å; T33-I37 HydrophobicContact CG2-CD1 3.91Å; T33-I37 HydrophobicContact CG2-CG1 4.47Å; T33-I37 VanDerWaalsContact O-CG1 3.27Å; T33-I37 WeakPolarHBondContact O-CG1 3.37Å; T33-I37 PolarHBondContact O-N 3.47Å |
| 34 | Q | 97.6 | Very high | 96.7 | Very high | 90 Ų | 90 | 106.6 Ų | 106.6 | 42% | 0.421 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.3 | -41 | 179.2 | -171.5 | 61.7 | 30.7 | 0 | 0 | 112 | K30 E31 E32 I37 R38 | K30-Q34 WeakPolarHBondContact O-CB 3.36Å; K30-Q34 PolarHBondContact O-N 3.48Å; E31-Q34 PolarHBondContact O-N 3.38Å; E32-Q34 PolarHBondContact O-N 3.47Å; Q34-I37 PolarHBondContact O-N 3.25Å; Q34-R38 WeakPolarHBondContact O-CG 3.27Å; Q34-R38 PolarHBondContact O-N 2.89Å |
| 35 | A | 97.6 | Very high | 96.9 | Very high | 45 Ų | 45 | 102.1 Ų | 102.1 | 37% | 0.372 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.1 | -45.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.1 | E31 E32 I37 R38 I39 | E31-A35 WeakPolarHBondContact O-CB 3.35Å; E31-A35 PolarHBondContact O-N 3.33Å; E32-A35 PolarHBondContact O-N 2.87Å; A35-I37 PolarHBondContact O-N 2.99Å; A35-R38 WeakPolarHBondContact O-CB 3.21Å; A35-R38 PolarHBondContact O-N 3.43Å; A35-I39 WeakPolarHBondContact O-CG1 3.41Å; A35-I39 PolarHBondContact O-N 3.03Å |
| 36 | A | 97.9 | Very high | 97.1 | Very high | 41 Ų | 41 | 102 Ų | 102 | 34% | 0.339 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.8 | -45.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | E32 T33 R38 I39 Q40 | E32-A36 WeakPolarHBondContact O-CB 3.33Å; E32-A36 PolarHBondContact O-N 2.95Å; T33-A36 PolarHBondContact O-N 3.37Å; A36-R38 VanDerWaalsContact C-N 3.33Å; A36-R38 PolarHBondContact O-N 2.85Å; A36-I39 PolarHBondContact O-N 2.74Å; A36-Q40 WeakPolarHBondContact O-CB 3.22Å; A36-Q40 VanDerWaalsContact O-CG 3.22Å; A36-Q40 WeakPolarHBondContact O-CG 3.39Å; A36-Q40 PolarHBondContact O-N 2.82Å |
| 37 | I | 97.9 | Very high | 97.3 | Very high | 80 Ų | 80 | 104.5 Ų | 104.5 | 41% | 0.41 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.8 | -41.8 | 176.8 | -70.3 | 167 | 0 | 0 | 0 | 111 | T33 Q34 A35 Q40 S41 | T33-I37 HydrophobicContact CG2-CD1 3.91Å; T33-I37 HydrophobicContact CG2-CG1 4.47Å; T33-I37 VanDerWaalsContact O-CG1 3.27Å; T33-I37 WeakPolarHBondContact O-CG1 3.37Å; T33-I37 PolarHBondContact O-N 3.47Å; Q34-I37 PolarHBondContact O-N 3.25Å; A35-I37 PolarHBondContact O-N 2.99Å; I37-Q40 PolarHBondContact O-N 3.37Å; I37-S41 VanDerWaalsContact O-CB 3.23Å; I37-S41 WeakPolarHBondContact O-CB 3.23Å; I37-S41 PolarHBondContact O-N 2.85Å; I37-S41 PolarHBondContact O-OG 3.26Å |
| 38 | R | 98.3 | Very high | 97.5 | Very high | 168 Ų | 168 | 105 Ų | 105 | 63% | 0.634 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.2 | -46.4 | 176.2 | -75 | 175.4 | -177.2 | 163.1 | 4.8 | 111.6 | Q34 A35 A36 S41 W42 | Q34-R38 WeakPolarHBondContact O-CG 3.27Å; Q34-R38 PolarHBondContact O-N 2.89Å; A35-R38 WeakPolarHBondContact O-CB 3.21Å; A35-R38 PolarHBondContact O-N 3.43Å; A36-R38 VanDerWaalsContact C-N 3.33Å; A36-R38 PolarHBondContact O-N 2.85Å; R38-S41 PolarHBondContact O-OG 2.98Å; R38-W42 VanDerWaalsContact O-CB 3.25Å; R38-W42 WeakPolarHBondContact O-CB 3.37Å; R38-W42 PolarHBondContact O-N 3.42Å |
| 39 | I | 97.9 | Very high | 97.7 | Very high | 117 Ų | 117 | 107.7 Ų | 107.7 | 60% | 0.6 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.7 | -48 | 178.6 | -66.7 | 166.6 | 0 | 0 | 0 | 110.3 | A35 A36 W42 F43 | A35-I39 WeakPolarHBondContact O-CG1 3.41Å; A35-I39 PolarHBondContact O-N 3.03Å; A36-I39 PolarHBondContact O-N 2.74Å; I39-W42 PolarHBondContact O-N 3.23Å; I39-F43 WeakPolarHBondContact O-CB 3.4Å; I39-F43 PolarHBondContact O-N 2.94Å |
| 40 | Q | 98.3 | Very high | 97.8 | Very high | 98 Ų | 98 | 104.3 Ų | 104.3 | 46% | 0.458 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.8 | -46.6 | -179.3 | -71.8 | 176.8 | 0.5 | 0 | 0 | 112.2 | A36 I37 F43 R44 | A36-Q40 WeakPolarHBondContact O-CB 3.22Å; A36-Q40 VanDerWaalsContact O-CG 3.22Å; A36-Q40 WeakPolarHBondContact O-CG 3.39Å; A36-Q40 PolarHBondContact O-N 2.82Å; I37-Q40 PolarHBondContact O-N 3.37Å; Q40-F43 PolarHBondContact O-N 3.46Å; Q40-R44 WeakPolarHBondContact O-CB 3.43Å; Q40-R44 WeakPolarHBondContact O-CG 3.29Å; Q40-R44 PolarHBondContact O-N 3.35Å |
| 41 | S | 97.9 | Very high | 97.9 | Very high | 63 Ų | 63 | 102.8 Ų | 102.8 | 44% | 0.441 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.2 | -42.7 | 178.4 | 57 | 0 | 0 | 0 | 0 | 111.5 | I37 R38 R44 A45 | I37-S41 VanDerWaalsContact O-CB 3.23Å; I37-S41 WeakPolarHBondContact O-CB 3.23Å; I37-S41 PolarHBondContact O-N 2.85Å; I37-S41 PolarHBondContact O-OG 3.26Å; R38-S41 PolarHBondContact O-OG 2.98Å; S41-R44 PolarHBondContact O-N 2.96Å; S41-A45 WeakPolarHBondContact O-CB 3.35Å; S41-A45 PolarHBondContact O-N 2.95Å |
| 42 | W | 98.2 | Very high | 98 | Very high | 168 Ų | 168 | 99.7 Ų | 99.7 | 64% | 0.636 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -60.2 | -47.2 | 175 | 177.8 | 88.1 | 0 | 0 | 0 | 111.9 | R38 I39 A45 C46 | R38-W42 VanDerWaalsContact O-CB 3.25Å; R38-W42 WeakPolarHBondContact O-CB 3.37Å; R38-W42 PolarHBondContact O-N 3.42Å; I39-W42 PolarHBondContact O-N 3.23Å; W42-A45 PolarHBondContact O-N 3.43Å; W42-C46 WeakPolarHBondContact O-CB 3.49Å; W42-C46 PolarHBondContact O-N 3.15Å |
| 43 | F | 98 | Very high | 98.1 | Very high | 121 Ų | 121 | 101.9 Ų | 101.9 | 53% | 0.531 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.2 | -45.2 | 178.7 | 179 | -103.2 | 0 | 0 | 0 | 112.1 | I39 Q40 A45 C46 R47 | I39-F43 WeakPolarHBondContact O-CB 3.4Å; I39-F43 PolarHBondContact O-N 2.94Å; Q40-F43 PolarHBondContact O-N 3.46Å; F43-A45 VanDerWaalsContact C-N 3.31Å; F43-A45 PolarHBondContact O-N 3.44Å; F43-C46 WeakPolarHBondContact O-CB 3.41Å; F43-C46 PolarHBondContact O-N 3.04Å; F43-C46 VanDerWaalsContact O-N 3.15Å; F43-R47 PolarHBondContact O-N 3.4Å |
| 44 | R | 98.3 | Very high | 98.1 | Very high | 158 Ų | 158 | 103 Ų | 103 | 60% | 0.596 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -57.1 | -45.6 | 174.9 | -72.2 | 171.2 | -170.2 | -176.4 | 5.8 | 110.8 | Q40 S41 C46 R47 V48 | Q40-R44 WeakPolarHBondContact O-CB 3.43Å; Q40-R44 WeakPolarHBondContact O-CG 3.29Å; Q40-R44 PolarHBondContact O-N 3.35Å; S41-R44 PolarHBondContact O-N 2.96Å; R44-C46 PolarHBondContact O-N 3.5Å; R44-R47 PolarHBondContact O-N 3.35Å; R44-V48 WeakPolarHBondContact O-CG2 3.25Å; R44-V48 PolarHBondContact O-N 2.86Å |
| 45 | A | 98.1 | Very high | 98.2 | Very high | 35 Ų | 35 | 102.4 Ų | 102.4 | 29% | 0.289 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.2 | -37.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S41 W42 F43 R49 | S41-A45 WeakPolarHBondContact O-CB 3.35Å; S41-A45 PolarHBondContact O-N 2.95Å; W42-A45 PolarHBondContact O-N 3.43Å; F43-A45 VanDerWaalsContact C-N 3.31Å; F43-A45 PolarHBondContact O-N 3.44Å; A45-R49 WeakPolarHBondContact O-CB 3.34Å; A45-R49 VanDerWaalsContact O-CG 3.29Å; A45-R49 WeakPolarHBondContact O-CG 3.49Å; A45-R49 PolarHBondContact O-N 2.95Å; A45-R49 PolarHBondContact O-NE 2.9Å |
| 46 | C | 98.3 | Very high | 98.2 | Very high | 48 Ų | 48 | 104.6 Ų | 104.6 | 32% | 0.324 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.7 | -48 | 175 | -170.1 | 0 | 0 | 0 | 0 | 110.7 | W42 F43 R44 V48 R49 T50 | W42-C46 WeakPolarHBondContact O-CB 3.49Å; W42-C46 PolarHBondContact O-N 3.15Å; F43-C46 WeakPolarHBondContact O-CB 3.41Å; F43-C46 PolarHBondContact O-N 3.04Å; F43-C46 VanDerWaalsContact O-N 3.15Å; R44-C46 PolarHBondContact O-N 3.5Å; C46-V48 PolarHBondContact O-N 3.28Å; C46-R49 PolarHBondContact O-N 3.1Å; C46-T50 WeakPolarHBondContact O-CG2 3.48Å; C46-T50 PolarHBondContact O-N 3.37Å; C46-T50 PolarHBondContact O-OG1 2.92Å |
| 47 | R | 98.1 | Very high | 98.3 | Very high | 165 Ų | 165 | 109.5 Ų | 109.5 | 62% | 0.623 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.2 | -42.1 | 178.7 | -161.6 | 177.8 | 77.2 | 179 | 5.1 | 113 | F43 R44 T50 Y51 | F43-R47 PolarHBondContact O-N 3.4Å; R44-R47 PolarHBondContact O-N 3.35Å; R47-T50 PolarHBondContact O-OG1 3.24Å; R47-Y51 WeakPolarHBondContact O-CB 3.38Å; R47-Y51 PolarHBondContact O-N 3.17Å; R47-Y51 VanDerWaalsContact O-N 3.17Å |
| 48 | V | 98.4 | Very high | 98.3 | Very high | 81 Ų | 81 | 111.1 Ų | 111.1 | 49% | 0.491 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.8 | -44.7 | 176.6 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | R44 C46 T50 Y51 I52 | R44-V48 WeakPolarHBondContact O-CG2 3.25Å; R44-V48 PolarHBondContact O-N 2.86Å; C46-V48 PolarHBondContact O-N 3.28Å; V48-T50 PolarHBondContact O-N 2.9Å; V48-Y51 PolarHBondContact O-N 2.89Å; V48-I52 HydrophobicContact CG1-CD1 3.73Å; V48-I52 HydrophobicContact CG1-CG1 4.33Å; V48-I52 WeakPolarHBondContact O-CG1 3.43Å; V48-I52 PolarHBondContact O-N 3.06Å |
| 49 | R | 98.5 | Very high | 98.3 | Very high | 131 Ų | 131 | 105.1 Ų | 105.1 | 49% | 0.494 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.4 | -39.7 | 180 | -76.5 | -174.5 | -86.8 | -164.6 | -4.2 | 112.5 | A45 C46 R53 | A45-R49 WeakPolarHBondContact O-CB 3.34Å; A45-R49 VanDerWaalsContact O-CG 3.29Å; A45-R49 WeakPolarHBondContact O-CG 3.49Å; A45-R49 PolarHBondContact O-N 2.95Å; A45-R49 PolarHBondContact O-NE 2.9Å; C46-R49 PolarHBondContact O-N 3.1Å; R49-R53 WeakPolarHBondContact O-CG 3.33Å; R49-R53 PolarHBondContact O-N 3.41Å |
| 50 | T | 98.4 | Very high | 98.3 | Very high | 69 Ų | 69 | 104.5 Ų | 104.5 | 42% | 0.423 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.1 | -41.7 | 175.2 | 52.8 | 0 | 0 | 0 | 0 | 111.7 | C46 R47 V48 R53 H54 | C46-T50 WeakPolarHBondContact O-CG2 3.48Å; C46-T50 PolarHBondContact O-N 3.37Å; C46-T50 PolarHBondContact O-OG1 2.92Å; R47-T50 PolarHBondContact O-OG1 3.24Å; V48-T50 PolarHBondContact O-N 2.9Å; T50-R53 PolarHBondContact O-N 2.85Å; T50-H54 PolarHBondContact O-N 3.31Å |
| 51 | Y | 98.3 | Very high | 98.4 | Very high | 146 Ų | 146 | 104.4 Ų | 104.4 | 57% | 0.573 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.3 | -45.1 | 176.5 | -175 | -114.9 | 0 | 0 | 0 | 112.6 | R47 V48 R53 H54 L55 | R47-Y51 WeakPolarHBondContact O-CB 3.38Å; R47-Y51 PolarHBondContact O-N 3.17Å; R47-Y51 VanDerWaalsContact O-N 3.17Å; V48-Y51 PolarHBondContact O-N 2.89Å; Y51-R53 VanDerWaalsContact C-N 3.34Å; Y51-R53 PolarHBondContact O-N 3.22Å; Y51-H54 WeakPolarHBondContact O-CB 3.46Å; Y51-H54 PolarHBondContact O-N 3.44Å; Y51-H54 VanDerWaalsContact O-N 3.1Å; Y51-L55 HydrophobicContact CD1-CD1 4.01Å; Y51-L55 HydrophobicContact CD1-CG 4.44Å; Y51-L55 HydrophobicContact CE1-CD1 3.52Å; Y51-L55 HydrophobicContact CE1-CG 4.09Å; Y51-L55 HydrophobicContact CE2-CD2 4.33Å; Y51-L55 HydrophobicContact CE2-CG 4.38Å; Y51-L55 PolarHBondContact O-N 2.95Å |
| 52 | I | 98.6 | Very high | 98.4 | Very high | 80 Ų | 80 | 106.4 Ų | 106.4 | 41% | 0.41 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.5 | -43.5 | 175.8 | -68.3 | 170.2 | 0 | 0 | 0 | 111.1 | V48 H54 L55 N56 | V48-I52 HydrophobicContact CG1-CD1 3.73Å; V48-I52 HydrophobicContact CG1-CG1 4.33Å; V48-I52 WeakPolarHBondContact O-CG1 3.43Å; V48-I52 PolarHBondContact O-N 3.06Å; I52-H54 VanDerWaalsContact C-N 3.28Å; I52-H54 PolarHBondContact O-N 2.97Å; I52-L55 PolarHBondContact O-N 3.02Å; I52-N56 WeakPolarHBondContact O-CB 3.35Å; I52-N56 PolarHBondContact O-N 3.26Å |
| 53 | R | 98.6 | Very high | 98.4 | Very high | 163 Ų | 163 | 102.7 Ų | 102.7 | 62% | 0.615 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -59.5 | -40.4 | 174.8 | -73.2 | 179.9 | -162.5 | 131.3 | -1.5 | 111.9 | R49 T50 Y51 K57 | R49-R53 WeakPolarHBondContact O-CG 3.33Å; R49-R53 PolarHBondContact O-N 3.41Å; T50-R53 PolarHBondContact O-N 2.85Å; Y51-R53 VanDerWaalsContact C-N 3.34Å; Y51-R53 PolarHBondContact O-N 3.22Å; R53-K57 WeakPolarHBondContact O-CB 3.34Å; R53-K57 PolarHBondContact O-N 2.98Å |
| 54 | H | 98.2 | Very high | 98.4 | Very high | 96 Ų | 96 | 104.4 Ų | 104.4 | 44% | 0.444 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.1 | -50.3 | 175.7 | -179.8 | 88.7 | 0 | 0 | 0 | 111.4 | T50 Y51 I52 N56 K57 K58 | T50-H54 PolarHBondContact O-N 3.31Å; Y51-H54 WeakPolarHBondContact O-CB 3.46Å; Y51-H54 PolarHBondContact O-N 3.44Å; Y51-H54 VanDerWaalsContact O-N 3.1Å; I52-H54 VanDerWaalsContact C-N 3.28Å; I52-H54 PolarHBondContact O-N 2.97Å; H54-N56 PolarHBondContact O-N 3.13Å; H54-K57 WeakPolarHBondContact O-CB 3.42Å; H54-K57 PolarHBondContact O-N 3.39Å; H54-K58 WeakPolarHBondContact CE1-CE 3.37Å; H54-K58 VanDerWaalsContact NE2-CE 3.34Å; H54-K58 WeakPolarHBondContact NE2-CE 3.46Å; H54-K58 WeakPolarHBondContact O-CG 3.45Å; H54-K58 PolarHBondContact O-N 3.26Å |
| 55 | L | 98.6 | Very high | 98.4 | Very high | 77 Ų | 77 | 99.7 Ų | 99.7 | 40% | 0.403 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.9 | -45.7 | 177.8 | -68 | -178.6 | 0 | 0 | 0 | 111.9 | Y51 I52 K57 K58 A59 | Y51-L55 HydrophobicContact CD1-CD1 4.01Å; Y51-L55 HydrophobicContact CD1-CG 4.44Å; Y51-L55 HydrophobicContact CE1-CD1 3.52Å; Y51-L55 HydrophobicContact CE1-CG 4.09Å; Y51-L55 HydrophobicContact CE2-CD2 4.33Å; Y51-L55 HydrophobicContact CE2-CG 4.38Å; Y51-L55 PolarHBondContact O-N 2.95Å; I52-L55 PolarHBondContact O-N 3.02Å; L55-K57 VanDerWaalsContact C-N 3.32Å; L55-K57 PolarHBondContact O-N 3.19Å; L55-K58 PolarHBondContact O-N 3.44Å; L55-K58 VanDerWaalsContact O-N 3.13Å; L55-A59 PolarHBondContact O-N 3.35Å |
| 56 | N | 98.7 | Very high | 98.4 | Very high | 92 Ų | 92 | 106 Ų | 106 | 49% | 0.492 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.3 | -41.7 | 176.9 | -73.7 | -16.4 | 0 | 0 | 0 | 111.9 | I52 H54 K58 A59 I60 | I52-N56 WeakPolarHBondContact O-CB 3.35Å; I52-N56 PolarHBondContact O-N 3.26Å; H54-N56 PolarHBondContact O-N 3.13Å; N56-K58 VanDerWaalsContact C-N 3.33Å; N56-K58 PolarHBondContact O-N 2.99Å; N56-A59 PolarHBondContact O-N 2.9Å; N56-I60 WeakPolarHBondContact O-CD1 3.28Å; N56-I60 VanDerWaalsContact O-CG1 3.28Å; N56-I60 WeakPolarHBondContact O-CG1 3.5Å; N56-I60 PolarHBondContact O-N 3.44Å |
| 57 | K | 98.5 | Very high | 98.4 | Very high | 144 Ų | 144 | 111.1 Ų | 111.1 | 63% | 0.626 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.6 | -42.9 | 175.1 | -173.8 | 174.9 | -177.8 | 175.5 | 0 | 111.4 | R53 H54 L55 I60 I61 | R53-K57 WeakPolarHBondContact O-CB 3.34Å; R53-K57 PolarHBondContact O-N 2.98Å; H54-K57 WeakPolarHBondContact O-CB 3.42Å; H54-K57 PolarHBondContact O-N 3.39Å; L55-K57 VanDerWaalsContact C-N 3.32Å; L55-K57 PolarHBondContact O-N 3.19Å; K57-I60 PolarHBondContact O-N 2.9Å; K57-I61 HydrophobicContact CG-CD1 4.47Å; K57-I61 WeakPolarHBondContact O-CG1 3.48Å; K57-I61 PolarHBondContact O-N 2.92Å; K57-I61 VanDerWaalsContact O-N 3.16Å |
| 58 | K | 98.4 | Very high | 98.4 | Very high | 113 Ų | 113 | 104.1 Ų | 104.1 | 49% | 0.491 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.7 | -44.3 | 176.3 | -63.9 | -63.5 | -176.9 | 172.7 | 0 | 111.8 | H54 L55 N56 I60 I61 V62 | H54-K58 WeakPolarHBondContact CE1-CE 3.37Å; H54-K58 VanDerWaalsContact NE2-CE 3.34Å; H54-K58 WeakPolarHBondContact NE2-CE 3.46Å; H54-K58 WeakPolarHBondContact O-CG 3.45Å; H54-K58 PolarHBondContact O-N 3.26Å; L55-K58 PolarHBondContact O-N 3.44Å; L55-K58 VanDerWaalsContact O-N 3.13Å; N56-K58 VanDerWaalsContact C-N 3.33Å; N56-K58 PolarHBondContact O-N 2.99Å; K58-I60 PolarHBondContact O-N 3.33Å; K58-I61 PolarHBondContact O-N 3.26Å; K58-V62 PolarHBondContact O-N 3.14Å; K58-V62 VanDerWaalsContact O-N 3.14Å |
| 59 | A | 98.5 | Very high | 98.4 | Very high | 43 Ų | 43 | 105.2 Ų | 105.2 | 36% | 0.355 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.4 | -45 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L55 N56 I61 V62 Q63 | L55-A59 PolarHBondContact O-N 3.35Å; N56-A59 PolarHBondContact O-N 2.9Å; A59-I61 VanDerWaalsContact C-N 3.32Å; A59-I61 PolarHBondContact O-N 3.39Å; A59-V62 PolarHBondContact O-N 2.81Å; A59-Q63 WeakPolarHBondContact O-CB 3.32Å; A59-Q63 VanDerWaalsContact O-CG 3.24Å; A59-Q63 WeakPolarHBondContact O-CG 3.17Å; A59-Q63 PolarHBondContact O-N 3.45Å |
| 60 | I | 98.6 | Very high | 98.4 | Very high | 104 Ų | 104 | 100.9 Ų | 100.9 | 53% | 0.533 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.7 | -41.4 | 176.9 | -71 | 162.8 | 0 | 0 | 0 | 111.3 | N56 K57 K58 Q63 K64 | N56-I60 WeakPolarHBondContact O-CD1 3.28Å; N56-I60 VanDerWaalsContact O-CG1 3.28Å; N56-I60 WeakPolarHBondContact O-CG1 3.5Å; N56-I60 PolarHBondContact O-N 3.44Å; K57-I60 PolarHBondContact O-N 2.9Å; K58-I60 PolarHBondContact O-N 3.33Å; I60-Q63 PolarHBondContact O-N 3.47Å; I60-K64 WeakPolarHBondContact O-CB 3.46Å; I60-K64 PolarHBondContact O-N 3.46Å |
| 61 | I | 98.5 | Very high | 98.4 | Very high | 96 Ų | 96 | 100.2 Ų | 100.2 | 49% | 0.492 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.4 | -49.5 | 177.8 | -69.6 | 165.2 | 0 | 0 | 0 | 110.5 | K57 K58 A59 K64 A65 | K57-I61 HydrophobicContact CG-CD1 4.47Å; K57-I61 WeakPolarHBondContact O-CG1 3.48Å; K57-I61 PolarHBondContact O-N 2.92Å; K57-I61 VanDerWaalsContact O-N 3.16Å; K58-I61 PolarHBondContact O-N 3.26Å; A59-I61 VanDerWaalsContact C-N 3.32Å; A59-I61 PolarHBondContact O-N 3.39Å; I61-K64 PolarHBondContact O-N 3.19Å; I61-A65 WeakPolarHBondContact O-CB 3.34Å; I61-A65 PolarHBondContact O-N 3.39Å |
| 62 | V | 98.5 | Very high | 98.4 | Very high | 104 Ų | 104 | 100 Ų | 100 | 63% | 0.63 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.4 | -49.3 | 178.8 | 175.1 | 0 | 0 | 0 | 0 | 110.6 | K58 A59 K64 A65 W66 | K58-V62 PolarHBondContact O-N 3.14Å; K58-V62 VanDerWaalsContact O-N 3.14Å; A59-V62 PolarHBondContact O-N 2.81Å; V62-K64 PolarHBondContact O-N 3.38Å; V62-A65 PolarHBondContact O-N 3.21Å; V62-W66 WeakPolarHBondContact O-CB 3.49Å; V62-W66 PolarHBondContact O-N 3.16Å |
| 63 | Q | 98.4 | Very high | 98.4 | Very high | 91 Ų | 91 | 97.9 Ų | 97.9 | 43% | 0.425 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.5 | -39.9 | -178.6 | -66.3 | 175.7 | -4.3 | 0 | 0 | 112.6 | A59 I60 W66 R67 | A59-Q63 WeakPolarHBondContact O-CB 3.32Å; A59-Q63 VanDerWaalsContact O-CG 3.24Å; A59-Q63 WeakPolarHBondContact O-CG 3.17Å; A59-Q63 PolarHBondContact O-N 3.45Å; I60-Q63 PolarHBondContact O-N 3.47Å; Q63-W66 PolarHBondContact O-N 2.91Å; Q63-R67 VanDerWaalsContact CB-NH1 3.32Å; Q63-R67 WeakPolarHBondContact O-CB 3.24Å; Q63-R67 WeakPolarHBondContact O-CG 3.46Å; Q63-R67 PolarHBondContact O-N 3.44Å |
| 64 | K | 98.2 | Very high | 98.4 | Very high | 157 Ų | 157 | 98.9 Ų | 98.9 | 68% | 0.683 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.5 | -45.8 | 175.9 | 178.9 | -178.5 | 176.1 | -179.4 | 0 | 110.7 | I60 I61 V62 W66 R67 G68 | I60-K64 WeakPolarHBondContact O-CB 3.46Å; I60-K64 PolarHBondContact O-N 3.46Å; I61-K64 PolarHBondContact O-N 3.19Å; V62-K64 PolarHBondContact O-N 3.38Å; K64-W66 VanDerWaalsContact C-N 3.34Å; K64-W66 PolarHBondContact O-N 2.87Å; K64-R67 PolarHBondContact O-N 2.9Å; K64-G68 PolarHBondContact O-N 3.34Å |
| 65 | A | 98.4 | Very high | 98.4 | Very high | 59 Ų | 59 | 98.3 Ų | 98.3 | 49% | 0.488 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.2 | -45.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | I61 V62 G68 F69 | I61-A65 WeakPolarHBondContact O-CB 3.34Å; I61-A65 PolarHBondContact O-N 3.39Å; V62-A65 PolarHBondContact O-N 3.21Å; A65-G68 PolarHBondContact O-N 3.43Å; A65-F69 PolarHBondContact O-N 3.29Å |
| 66 | W | 98.4 | Very high | 98.4 | Very high | 166 Ų | 166 | 101.1 Ų | 101.1 | 63% | 0.629 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.5 | -49.4 | 178 | 179 | -113.1 | 0 | 0 | 0 | 113 | V62 Q63 K64 G68 F69 A70 | V62-W66 WeakPolarHBondContact O-CB 3.49Å; V62-W66 PolarHBondContact O-N 3.16Å; Q63-W66 PolarHBondContact O-N 2.91Å; K64-W66 VanDerWaalsContact C-N 3.34Å; K64-W66 PolarHBondContact O-N 2.87Å; W66-G68 PolarHBondContact O-N 3.01Å; W66-F69 AromaticContact CE3-CD1 3.84Å; W66-F69 HydrophobicContact CE3-CD1 3.84Å; W66-F69 HydrophobicContact CH2-CD1 4.11Å; W66-F69 HydrophobicContact CH2-CE1 4.15Å; W66-F69 AromaticContact CZ3-CD1 3.49Å; W66-F69 HydrophobicContact CZ3-CD1 3.49Å; W66-F69 VanDerWaalsContact CZ3-CD1 3.49Å; W66-F69 AromaticContact CZ3-CE1 3.76Å; W66-F69 HydrophobicContact CZ3-CE1 3.76Å; W66-F69 WeakPolarHBondContact O-CB 3.5Å; W66-F69 PolarHBondContact O-N 3.06Å; W66-F69 VanDerWaalsContact O-N 3.07Å; W66-A70 WeakPolarHBondContact O-CB 3.33Å; W66-A70 PolarHBondContact O-N 3.49Å |
| 67 | R | 98.4 | Very high | 98.3 | Very high | 156 Ų | 156 | 103.1 Ų | 103.1 | 59% | 0.589 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -56.6 | -41.8 | 176.9 | -72.7 | -179.8 | -173.2 | 105.8 | 2.9 | 111.2 | Q63 K64 A71 | Q63-R67 VanDerWaalsContact CB-NH1 3.32Å; Q63-R67 WeakPolarHBondContact O-CB 3.24Å; Q63-R67 WeakPolarHBondContact O-CG 3.46Å; Q63-R67 PolarHBondContact O-N 3.44Å; K64-R67 PolarHBondContact O-N 2.9Å; R67-A71 WeakPolarHBondContact O-CB 3.37Å; R67-A71 PolarHBondContact O-N 3.07Å |
| 68 | G | 98.3 | Very high | 98.3 | Very high | 19 Ų | 19 | 102.1 Ų | 102.1 | 20% | 0.196 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -63.6 | -44.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | K64 A65 W66 R72 | K64-G68 PolarHBondContact O-N 3.34Å; A65-G68 PolarHBondContact O-N 3.43Å; W66-G68 PolarHBondContact O-N 3.01Å; G68-R72 VanDerWaalsContact C-CZ 3.4Å; G68-R72 WeakPolarHBondContact O-CB 3.46Å; G68-R72 VanDerWaalsContact O-CG 3.32Å; G68-R72 WeakPolarHBondContact O-CG 3.36Å; G68-R72 VanDerWaalsContact O-CZ 3.23Å; G68-R72 PolarHBondContact O-N 2.97Å; G68-R72 PolarHBondContact O-NE 3.27Å; G68-R72 PolarHBondContact O-NH1 3.03Å |
| 69 | F | 98.4 | Very high | 98.3 | Very high | 104 Ų | 104 | 101.1 Ų | 101.1 | 46% | 0.456 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.1 | -49.1 | 176.6 | 172 | -96.7 | 0 | 0 | 0 | 111.8 | A65 W66 R72 A73 | A65-F69 PolarHBondContact O-N 3.29Å; W66-F69 AromaticContact CE3-CD1 3.84Å; W66-F69 HydrophobicContact CE3-CD1 3.84Å; W66-F69 HydrophobicContact CH2-CD1 4.11Å; W66-F69 HydrophobicContact CH2-CE1 4.15Å; W66-F69 AromaticContact CZ3-CD1 3.49Å; W66-F69 HydrophobicContact CZ3-CD1 3.49Å; W66-F69 VanDerWaalsContact CZ3-CD1 3.49Å; W66-F69 AromaticContact CZ3-CE1 3.76Å; W66-F69 HydrophobicContact CZ3-CE1 3.76Å; W66-F69 WeakPolarHBondContact O-CB 3.5Å; W66-F69 PolarHBondContact O-N 3.06Å; W66-F69 VanDerWaalsContact O-N 3.07Å; F69-R72 PolarHBondContact O-N 3.5Å; F69-A73 WeakPolarHBondContact O-CB 3.45Å; F69-A73 PolarHBondContact O-N 3.12Å |
| 70 | A | 98.4 | Very high | 98.3 | Very high | 40 Ų | 40 | 105 Ų | 105 | 33% | 0.331 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.1 | -44.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | W66 R72 A73 R74 | W66-A70 WeakPolarHBondContact O-CB 3.33Å; W66-A70 PolarHBondContact O-N 3.49Å; A70-R72 PolarHBondContact O-N 3.43Å; A70-A73 PolarHBondContact O-N 3.41Å; A70-R74 PolarHBondContact O-N 2.96Å |
| 71 | A | 98.3 | Very high | 98.3 | Very high | 54 Ų | 54 | 102.5 Ų | 102.5 | 45% | 0.446 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.1 | -47 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | R67 A73 R74 V75 | R67-A71 WeakPolarHBondContact O-CB 3.37Å; R67-A71 PolarHBondContact O-N 3.07Å; A71-A73 VanDerWaalsContact C-N 3.34Å; A71-A73 PolarHBondContact O-N 2.88Å; A71-R74 PolarHBondContact O-N 3.42Å; A71-V75 WeakPolarHBondContact O-CG2 3.43Å; A71-V75 PolarHBondContact O-N 3.3Å |
| 72 | R | 98.3 | Very high | 98.3 | Very high | 141 Ų | 141 | 100.8 Ų | 100.8 | 53% | 0.532 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.7 | -37.6 | 177.1 | -72.4 | -175.2 | -67.1 | -90 | 3.5 | 112.5 | G68 F69 A70 V75 R76 | G68-R72 VanDerWaalsContact C-CZ 3.4Å; G68-R72 WeakPolarHBondContact O-CB 3.46Å; G68-R72 VanDerWaalsContact O-CG 3.32Å; G68-R72 WeakPolarHBondContact O-CG 3.36Å; G68-R72 VanDerWaalsContact O-CZ 3.23Å; G68-R72 PolarHBondContact O-N 2.97Å; G68-R72 PolarHBondContact O-NE 3.27Å; G68-R72 PolarHBondContact O-NH1 3.03Å; F69-R72 PolarHBondContact O-N 3.5Å; A70-R72 PolarHBondContact O-N 3.43Å; R72-V75 PolarHBondContact O-N 3.33Å; R72-R76 WeakPolarHBondContact O-CG 3.32Å; R72-R76 PolarHBondContact O-N 2.99Å |
| 73 | A | 98.3 | Very high | 98.2 | Very high | 37 Ų | 37 | 101.3 Ų | 101.3 | 31% | 0.306 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.7 | -44.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | F69 A70 A71 R76 Q77 | F69-A73 WeakPolarHBondContact O-CB 3.45Å; F69-A73 PolarHBondContact O-N 3.12Å; A70-A73 PolarHBondContact O-N 3.41Å; A71-A73 VanDerWaalsContact C-N 3.34Å; A71-A73 PolarHBondContact O-N 2.88Å; A73-R76 PolarHBondContact O-N 3.43Å; A73-Q77 PolarHBondContact O-N 3.28Å; A73-Q77 VanDerWaalsContact O-N 3.12Å |
| 74 | R | 98 | Very high | 98.2 | Very high | 184 Ų | 184 | 102.3 Ų | 102.3 | 69% | 0.694 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.4 | -48.6 | 175.1 | -174.3 | -176 | -67.6 | 173.2 | -2.6 | 111.8 | A70 A71 R76 Q77 M78 | A70-R74 PolarHBondContact O-N 2.96Å; A71-R74 PolarHBondContact O-N 3.42Å; R74-R76 VanDerWaalsContact C-N 3.35Å; R74-R76 PolarHBondContact O-N 3.42Å; R74-Q77 WeakPolarHBondContact O-CB 3.07Å; R74-Q77 PolarHBondContact O-N 3Å; R74-Q77 VanDerWaalsContact O-N 3.16Å; R74-M78 HydrophobicContact CG-SD 4.2Å; R74-M78 WeakPolarHBondContact O-CG 3.4Å; R74-M78 PolarHBondContact O-N 3.05Å |
| 75 | V | 98.2 | Very high | 98.2 | Very high | 84 Ų | 84 | 98.7 Ų | 98.7 | 51% | 0.509 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.7 | -43.6 | 179.4 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | A71 R72 Q77 M78 V79 | A71-V75 WeakPolarHBondContact O-CG2 3.43Å; A71-V75 PolarHBondContact O-N 3.3Å; R72-V75 PolarHBondContact O-N 3.33Å; V75-Q77 VanDerWaalsContact C-N 3.3Å; V75-Q77 PolarHBondContact O-N 3.5Å; V75-M78 PolarHBondContact O-N 3.4Å; V75-M78 VanDerWaalsContact O-N 3.17Å; V75-V79 HydrophobicContact CG1-CG2 4.22Å; V75-V79 WeakPolarHBondContact O-CG2 3.42Å; V75-V79 PolarHBondContact O-N 3.19Å |
| 76 | R | 98.3 | Very high | 98.2 | Very high | 136 Ų | 136 | 102 Ų | 102 | 51% | 0.513 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -57.7 | -42.4 | 175.3 | -75.6 | -173.1 | -64 | -99.7 | 2.8 | 112.2 | R72 A73 R74 V79 K80 | R72-R76 WeakPolarHBondContact O-CG 3.32Å; R72-R76 PolarHBondContact O-N 2.99Å; A73-R76 PolarHBondContact O-N 3.43Å; R74-R76 VanDerWaalsContact C-N 3.35Å; R74-R76 PolarHBondContact O-N 3.42Å; R76-V79 PolarHBondContact O-N 2.87Å; R76-K80 WeakPolarHBondContact O-CB 3.34Å; R76-K80 PolarHBondContact O-N 2.82Å |
| 77 | Q | 97.9 | Very high | 98.2 | Very high | 133 Ų | 133 | 97.8 Ų | 97.8 | 62% | 0.621 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.8 | -43.8 | 176.6 | -168.4 | 71.3 | 6.8 | 0 | 0 | 111.5 | A73 R74 V75 K80 A81 | A73-Q77 PolarHBondContact O-N 3.28Å; A73-Q77 VanDerWaalsContact O-N 3.12Å; R74-Q77 WeakPolarHBondContact O-CB 3.07Å; R74-Q77 PolarHBondContact O-N 3Å; R74-Q77 VanDerWaalsContact O-N 3.16Å; V75-Q77 VanDerWaalsContact C-N 3.3Å; V75-Q77 PolarHBondContact O-N 3.5Å; Q77-K80 PolarHBondContact O-N 2.92Å; Q77-A81 WeakPolarHBondContact O-CB 3.35Å; Q77-A81 PolarHBondContact O-N 3.29Å |
| 78 | M | 98 | Very high | 98.2 | Very high | 123 Ų | 123 | 95.8 Ų | 95.8 | 61% | 0.606 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62 | -45.8 | 177.3 | -69.7 | 174.3 | 65.4 | 0 | 0 | 112 | R74 V75 K80 A81 A82 | R74-M78 HydrophobicContact CG-SD 4.2Å; R74-M78 WeakPolarHBondContact O-CG 3.4Å; R74-M78 PolarHBondContact O-N 3.05Å; V75-M78 PolarHBondContact O-N 3.4Å; V75-M78 VanDerWaalsContact O-N 3.17Å; M78-K80 VanDerWaalsContact C-N 3.35Å; M78-K80 PolarHBondContact O-N 3.48Å; M78-A81 PolarHBondContact O-N 3.36Å; M78-A82 WeakPolarHBondContact O-CB 3.46Å; M78-A82 PolarHBondContact O-N 3.49Å |
| 79 | V | 98.4 | Very high | 98.2 | Very high | 93 Ų | 93 | 99 Ų | 99 | 56% | 0.564 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.3 | -43.7 | 177.5 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | V75 R76 A81 A82 Y83 | V75-V79 HydrophobicContact CG1-CG2 4.22Å; V75-V79 WeakPolarHBondContact O-CG2 3.42Å; V75-V79 PolarHBondContact O-N 3.19Å; R76-V79 PolarHBondContact O-N 2.87Å; V79-A81 PolarHBondContact O-N 3.49Å; V79-A82 PolarHBondContact O-N 2.88Å; V79-Y83 WeakPolarHBondContact O-CB 3.26Å; V79-Y83 PolarHBondContact O-N 3.17Å |
| 80 | K | 98.1 | Very high | 98.2 | Very high | 123 Ų | 123 | 99.7 Ų | 99.7 | 54% | 0.535 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60 | -45.9 | 176.2 | -174.8 | 172.8 | -178.8 | 178.2 | 0 | 111.3 | R76 Q77 M78 Y83 F84 | R76-K80 WeakPolarHBondContact O-CB 3.34Å; R76-K80 PolarHBondContact O-N 2.82Å; Q77-K80 PolarHBondContact O-N 2.92Å; M78-K80 VanDerWaalsContact C-N 3.35Å; M78-K80 PolarHBondContact O-N 3.48Å; K80-Y83 PolarHBondContact O-N 3.35Å; K80-F84 HydrophobicContact CD-CE2 4.21Å; K80-F84 HydrophobicContact CG-CD2 3.91Å; K80-F84 HydrophobicContact CG-CE2 3.54Å; K80-F84 WeakPolarHBondContact O-CD2 3.42Å; K80-F84 PolarHBondContact O-N 3.13Å; K80-F84 VanDerWaalsContact O-N 3.1Å |
| 81 | A | 98.1 | Very high | 98.2 | Very high | 52 Ų | 52 | 103.9 Ų | 103.9 | 43% | 0.43 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.6 | -47.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q77 M78 V79 Y83 F84 T85 | Q77-A81 WeakPolarHBondContact O-CB 3.35Å; Q77-A81 PolarHBondContact O-N 3.29Å; M78-A81 PolarHBondContact O-N 3.36Å; V79-A81 PolarHBondContact O-N 3.49Å; A81-Y83 VanDerWaalsContact C-N 3.32Å; A81-Y83 PolarHBondContact O-N 2.97Å; A81-F84 PolarHBondContact O-N 3.13Å; A81-F84 VanDerWaalsContact O-N 3.16Å; A81-T85 PolarHBondContact O-N 2.84Å; A81-T85 PolarHBondContact O-OG1 3.16Å; A81-T85 VanDerWaalsContact O-OG1 3.12Å |
| 82 | A | 98.3 | Very high | 98.2 | Very high | 61 Ų | 61 | 105.2 Ų | 105.2 | 50% | 0.504 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.8 | -43 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | M78 V79 T85 M86 | M78-A82 WeakPolarHBondContact O-CB 3.46Å; M78-A82 PolarHBondContact O-N 3.49Å; V79-A82 PolarHBondContact O-N 2.88Å; A82-T85 PolarHBondContact O-N 3.38Å; A82-M86 WeakPolarHBondContact O-CB 3.38Å; A82-M86 PolarHBondContact O-N 2.96Å |
| 83 | Y | 98.2 | Very high | 98.2 | Very high | 115 Ų | 115 | 103 Ų | 103 | 45% | 0.451 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.7 | -47.6 | 174.4 | 169.8 | -96.1 | 0 | 0 | 0 | 112.1 | V79 K80 A81 M86 K87 | V79-Y83 WeakPolarHBondContact O-CB 3.26Å; V79-Y83 PolarHBondContact O-N 3.17Å; K80-Y83 PolarHBondContact O-N 3.35Å; A81-Y83 VanDerWaalsContact C-N 3.32Å; A81-Y83 PolarHBondContact O-N 2.97Å; Y83-M86 PolarHBondContact O-N 3.16Å; Y83-K87 HydrophobicContact CE1-CD 4.06Å; Y83-K87 WeakPolarHBondContact O-CB 3.41Å; Y83-K87 PolarHBondContact O-N 3.43Å |
| 84 | F | 98.2 | Very high | 98.2 | Very high | 112 Ų | 112 | 104 Ų | 104 | 49% | 0.491 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.8 | -41 | 178.9 | -78.1 | -61.2 | 0 | 0 | 0 | 112.3 | K80 A81 K87 M88 | K80-F84 HydrophobicContact CD-CE2 4.21Å; K80-F84 HydrophobicContact CG-CD2 3.91Å; K80-F84 HydrophobicContact CG-CE2 3.54Å; K80-F84 WeakPolarHBondContact O-CD2 3.42Å; K80-F84 PolarHBondContact O-N 3.13Å; K80-F84 VanDerWaalsContact O-N 3.1Å; A81-F84 PolarHBondContact O-N 3.13Å; A81-F84 VanDerWaalsContact O-N 3.16Å; F84-K87 PolarHBondContact O-N 2.92Å; F84-M88 VanDerWaalsContact O-CB 3.26Å; F84-M88 WeakPolarHBondContact O-CB 3.45Å; F84-M88 PolarHBondContact O-N 3.04Å |
| 85 | T | 98.2 | Very high | 98.2 | Very high | 81 Ų | 81 | 97.1 Ų | 97.1 | 50% | 0.497 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.8 | -48.3 | 174.5 | -59.8 | 0 | 0 | 0 | 0 | 111.1 | A81 A82 K87 M88 N89 | A81-T85 PolarHBondContact O-N 2.84Å; A81-T85 PolarHBondContact O-OG1 3.16Å; A81-T85 VanDerWaalsContact O-OG1 3.12Å; A82-T85 PolarHBondContact O-N 3.38Å; T85-K87 PolarHBondContact O-N 3.12Å; T85-M88 PolarHBondContact O-N 3.36Å; T85-N89 WeakPolarHBondContact O-CB 3.22Å; T85-N89 PolarHBondContact O-N 2.91Å; T85-N89 PolarHBondContact O-ND2 3.37Å; T85-N89 PolarHBondContact O-OD1 2.92Å |
| 86 | M | 98.3 | Very high | 98.2 | Very high | 128 Ų | 128 | 97.3 Ų | 97.3 | 63% | 0.631 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -58.9 | -47.1 | 177.4 | -173.1 | -175.6 | 81.4 | 0 | 0 | 111.7 | A82 Y83 N89 F90 | A82-M86 WeakPolarHBondContact O-CB 3.38Å; A82-M86 PolarHBondContact O-N 2.96Å; Y83-M86 PolarHBondContact O-N 3.16Å; M86-N89 PolarHBondContact O-N 2.86Å; M86-F90 PolarHBondContact O-N 3.39Å |
| 87 | K | 98.3 | Very high | 98.2 | Very high | 78 Ų | 78 | 98.5 Ų | 98.5 | 34% | 0.339 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.2 | -42.8 | 178.8 | -176.8 | 171.9 | -178.2 | 171.2 | 0 | 112 | Y83 F84 T85 F90 Y91 | Y83-K87 HydrophobicContact CE1-CD 4.06Å; Y83-K87 WeakPolarHBondContact O-CB 3.41Å; Y83-K87 PolarHBondContact O-N 3.43Å; F84-K87 PolarHBondContact O-N 2.92Å; T85-K87 PolarHBondContact O-N 3.12Å; K87-F90 PolarHBondContact O-N 3.1Å; K87-Y91 HydrophobicContact CD-CE2 4.08Å; K87-Y91 VanDerWaalsContact CE-CE2 3.46Å; K87-Y91 WeakPolarHBondContact CE-OH 3.39Å; K87-Y91 HydrophobicContact CG-CD2 3.97Å; K87-Y91 HydrophobicContact CG-CE2 3.47Å; K87-Y91 VanDerWaalsContact CG-CE2 3.47Å; K87-Y91 VanDerWaalsContact O-CD2 3.22Å; K87-Y91 WeakPolarHBondContact O-CD2 3.35Å; K87-Y91 PolarHBondContact O-N 2.91Å; K87-Y91 VanDerWaalsContact O-N 3.14Å |
| 88 | M | 98 | Very high | 98.3 | Very high | 114 Ų | 114 | 98 Ų | 98 | 56% | 0.562 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.8 | -44.9 | 177.3 | -171.5 | 66.7 | 87.5 | 0 | 0 | 111.3 | F84 T85 F90 Y91 N92 | F84-M88 VanDerWaalsContact O-CB 3.26Å; F84-M88 WeakPolarHBondContact O-CB 3.45Å; F84-M88 PolarHBondContact O-N 3.04Å; T85-M88 PolarHBondContact O-N 3.36Å; M88-F90 VanDerWaalsContact C-N 3.35Å; M88-F90 PolarHBondContact O-N 3.46Å; M88-Y91 PolarHBondContact O-N 2.91Å; M88-N92 WeakPolarHBondContact O-CB 3.43Å; M88-N92 VanDerWaalsContact O-CG 3.26Å; M88-N92 PolarHBondContact O-N 3.26Å; M88-N92 PolarHBondContact O-ND2 3.42Å |
| 89 | N | 98.3 | Very high | 98.3 | Very high | 86 Ų | 86 | 95.9 Ų | 95.9 | 46% | 0.46 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.3 | -45.3 | 177.2 | -69.4 | -10.5 | 0 | 0 | 0 | 111.4 | T85 M86 Y91 N92 D93 | T85-N89 WeakPolarHBondContact O-CB 3.22Å; T85-N89 PolarHBondContact O-N 2.91Å; T85-N89 PolarHBondContact O-ND2 3.37Å; T85-N89 PolarHBondContact O-OD1 2.92Å; M86-N89 PolarHBondContact O-N 2.86Å; N89-Y91 PolarHBondContact O-N 2.82Å; N89-N92 PolarHBondContact O-N 3.18Å; N89-D93 PolarHBondContact O-N 3.36Å |
| 90 | F | 98.5 | Very high | 98.2 | Very high | 118 Ų | 118 | 99 Ų | 99 | 52% | 0.518 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -55.9 | -49.3 | 176.1 | 175.7 | -96.5 | 0 | 0 | 0 | 112.2 | M86 K87 M88 D93 M94 | M86-F90 PolarHBondContact O-N 3.39Å; K87-F90 PolarHBondContact O-N 3.1Å; M88-F90 VanDerWaalsContact C-N 3.35Å; M88-F90 PolarHBondContact O-N 3.46Å; F90-D93 PolarHBondContact O-N 3.06Å; F90-M94 HydrophobicContact CD1-CG 4.5Å; F90-M94 HydrophobicContact CE1-CG 4.09Å; F90-M94 HydrophobicContact CE2-CE 4.43Å; F90-M94 HydrophobicContact CE2-CG 4.42Å; F90-M94 HydrophobicContact CZ-CG 4.05Å; F90-M94 WeakPolarHBondContact O-CG 3.35Å; F90-M94 PolarHBondContact O-N 3.44Å |
| 91 | Y | 98.4 | Very high | 98.2 | Very high | 128 Ų | 128 | 98 Ų | 98 | 50% | 0.502 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.3 | -36.4 | 179.3 | -68 | -47.9 | 0 | 0 | 0 | 113.1 | K87 M88 N89 D93 M94 A95 | K87-Y91 HydrophobicContact CD-CE2 4.08Å; K87-Y91 VanDerWaalsContact CE-CE2 3.46Å; K87-Y91 WeakPolarHBondContact CE-OH 3.39Å; K87-Y91 HydrophobicContact CG-CD2 3.97Å; K87-Y91 HydrophobicContact CG-CE2 3.47Å; K87-Y91 VanDerWaalsContact CG-CE2 3.47Å; K87-Y91 VanDerWaalsContact O-CD2 3.22Å; K87-Y91 WeakPolarHBondContact O-CD2 3.35Å; K87-Y91 PolarHBondContact O-N 2.91Å; K87-Y91 VanDerWaalsContact O-N 3.14Å; M88-Y91 PolarHBondContact O-N 2.91Å; N89-Y91 PolarHBondContact O-N 2.82Å; Y91-D93 VanDerWaalsContact C-N 3.35Å; Y91-M94 PolarHBondContact O-N 2.83Å; Y91-A95 VanDerWaalsContact O-CB 3.3Å; Y91-A95 WeakPolarHBondContact O-CB 3.3Å; Y91-A95 PolarHBondContact O-N 2.89Å |
| 92 | N | 98.4 | Very high | 98.2 | Very high | 82 Ų | 82 | 102.3 Ų | 102.3 | 44% | 0.439 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.3 | -44.7 | 174.8 | -75.9 | -23.2 | 0 | 0 | 0 | 111.1 | M88 N89 M94 A95 V96 | M88-N92 WeakPolarHBondContact O-CB 3.43Å; M88-N92 VanDerWaalsContact O-CG 3.26Å; M88-N92 PolarHBondContact O-N 3.26Å; M88-N92 PolarHBondContact O-ND2 3.42Å; N89-N92 PolarHBondContact O-N 3.18Å; N92-M94 VanDerWaalsContact C-N 3.35Å; N92-M94 PolarHBondContact O-N 2.72Å; N92-A95 PolarHBondContact O-N 2.91Å; N92-V96 WeakPolarHBondContact O-CG2 3.37Å; N92-V96 PolarHBondContact O-N 3.39Å |
| 93 | D | 98.1 | Very high | 98 | Very high | 96 Ų | 96 | 105.3 Ų | 105.3 | 51% | 0.513 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.6 | -43.4 | 176.8 | -73.9 | -12.7 | 0 | 0 | 0 | 111.6 | N89 F90 Y91 V96 R97 | N89-D93 PolarHBondContact O-N 3.36Å; F90-D93 PolarHBondContact O-N 3.06Å; Y91-D93 VanDerWaalsContact C-N 3.35Å; D93-V96 PolarHBondContact O-N 2.91Å; D93-R97 WeakPolarHBondContact O-CG 3.27Å; D93-R97 PolarHBondContact O-N 3.14Å |
| 94 | M | 98.3 | Very high | 97.9 | Very high | 58 Ų | 58 | 100.8 Ų | 100.8 | 29% | 0.286 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.8 | -42.9 | 175.6 | -67.2 | -51.9 | 104.9 | 0 | 0 | 111.6 | F90 Y91 N92 V96 R97 I98 | F90-M94 HydrophobicContact CD1-CG 4.5Å; F90-M94 HydrophobicContact CE1-CG 4.09Å; F90-M94 HydrophobicContact CE2-CE 4.43Å; F90-M94 HydrophobicContact CE2-CG 4.42Å; F90-M94 HydrophobicContact CZ-CG 4.05Å; F90-M94 WeakPolarHBondContact O-CG 3.35Å; F90-M94 PolarHBondContact O-N 3.44Å; Y91-M94 PolarHBondContact O-N 2.83Å; N92-M94 VanDerWaalsContact C-N 3.35Å; N92-M94 PolarHBondContact O-N 2.72Å; M94-V96 PolarHBondContact O-N 2.93Å; M94-R97 PolarHBondContact O-N 3.35Å; M94-I98 WeakPolarHBondContact O-CG1 3.17Å; M94-I98 PolarHBondContact O-N 3.24Å |
| 95 | A | 98.3 | Very high | 97.7 | Very high | 38 Ų | 38 | 99.4 Ų | 99.4 | 31% | 0.314 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.4 | -44.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y91 N92 R97 I98 Q99 | Y91-A95 VanDerWaalsContact O-CB 3.3Å; Y91-A95 WeakPolarHBondContact O-CB 3.3Å; Y91-A95 PolarHBondContact O-N 2.89Å; N92-A95 PolarHBondContact O-N 2.91Å; A95-R97 VanDerWaalsContact C-N 3.33Å; A95-R97 PolarHBondContact O-N 3.46Å; A95-I98 PolarHBondContact O-N 3.01Å; A95-Q99 WeakPolarHBondContact O-CB 3.33Å; A95-Q99 WeakPolarHBondContact O-CG 3.34Å; A95-Q99 PolarHBondContact O-N 3.44Å |
| 96 | V | 98.5 | Very high | 97.5 | Very high | 88 Ų | 88 | 100 Ų | 100 | 53% | 0.533 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.4 | -42.3 | 176.7 | 170.1 | 0 | 0 | 0 | 0 | 111.2 | N92 D93 M94 Q99 K100 | N92-V96 WeakPolarHBondContact O-CG2 3.37Å; N92-V96 PolarHBondContact O-N 3.39Å; D93-V96 PolarHBondContact O-N 2.91Å; M94-V96 PolarHBondContact O-N 2.93Å; V96-Q99 PolarHBondContact O-N 2.84Å; V96-K100 VanDerWaalsContact O-CB 3.26Å; V96-K100 WeakPolarHBondContact O-CB 3.36Å; V96-K100 PolarHBondContact O-N 3.32Å |
| 97 | R | 98.4 | Very high | 97.2 | Very high | 162 Ų | 162 | 99.9 Ų | 99.9 | 61% | 0.611 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -61.1 | -50.3 | 176.7 | -71 | 173 | -175.2 | -159.5 | 1.1 | 111.7 | D93 M94 A95 Q99 K100 T101 | D93-R97 WeakPolarHBondContact O-CG 3.27Å; D93-R97 PolarHBondContact O-N 3.14Å; M94-R97 PolarHBondContact O-N 3.35Å; A95-R97 VanDerWaalsContact C-N 3.33Å; A95-R97 PolarHBondContact O-N 3.46Å; R97-Q99 VanDerWaalsContact C-N 3.33Å; R97-Q99 PolarHBondContact O-N 2.72Å; R97-K100 PolarHBondContact O-N 2.74Å; R97-T101 PolarHBondContact O-N 2.83Å; R97-T101 PolarHBondContact O-OG1 3.4Å; R97-T101 VanDerWaalsContact O-OG1 3.12Å |
| 98 | I | 98.4 | Very high | 96.7 | Very high | 121 Ų | 121 | 104.3 Ų | 104.3 | 62% | 0.621 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -57.9 | -49.2 | 177.8 | -67.7 | 167.6 | 0 | 0 | 0 | 110 | M94 A95 K100 T101 W102 | M94-I98 WeakPolarHBondContact O-CG1 3.17Å; M94-I98 PolarHBondContact O-N 3.24Å; A95-I98 PolarHBondContact O-N 3.01Å; I98-K100 PolarHBondContact O-N 3.44Å; I98-T101 PolarHBondContact O-N 3.48Å; I98-W102 WeakPolarHBondContact O-CB 3.43Å; I98-W102 PolarHBondContact O-N 2.86Å |
| 99 | Q | 98 | Very high | 96.2 | Very high | 79 Ų | 79 | 104.7 Ų | 104.7 | 37% | 0.369 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.6 | -39.7 | -178.4 | -69.1 | 177.5 | 7.9 | 0 | 0 | 112.8 | A95 V96 R97 W102 R103 | A95-Q99 WeakPolarHBondContact O-CB 3.33Å; A95-Q99 WeakPolarHBondContact O-CG 3.34Å; A95-Q99 PolarHBondContact O-N 3.44Å; V96-Q99 PolarHBondContact O-N 2.84Å; R97-Q99 VanDerWaalsContact C-N 3.33Å; R97-Q99 PolarHBondContact O-N 2.72Å; Q99-W102 PolarHBondContact O-N 2.96Å; Q99-R103 VanDerWaalsContact CB-NH1 3.31Å; Q99-R103 WeakPolarHBondContact O-CB 3.26Å; Q99-R103 VanDerWaalsContact O-CG 3.27Å; Q99-R103 WeakPolarHBondContact O-CG 3.43Å; Q99-R103 PolarHBondContact O-N 2.87Å |
| 100 | K | 97.5 | Very high | 95.7 | Very high | 160 Ų | 160 | 106.9 Ų | 106.9 | 70% | 0.696 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -59.8 | -48.4 | 176 | 179 | -177.3 | 177.6 | -177.9 | 0 | 110.5 | V96 R97 I98 R103 G104 | V96-K100 VanDerWaalsContact O-CB 3.26Å; V96-K100 WeakPolarHBondContact O-CB 3.36Å; V96-K100 PolarHBondContact O-N 3.32Å; R97-K100 PolarHBondContact O-N 2.74Å; I98-K100 PolarHBondContact O-N 3.44Å; K100-R103 PolarHBondContact O-N 3.35Å; K100-G104 PolarHBondContact O-N 3.42Å |
| 101 | T | 97.6 | Very high | 95.1 | Very high | 101 Ų | 101 | 105.9 Ų | 105.9 | 62% | 0.62 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -60.7 | -46.5 | 177.8 | -60.8 | 0 | 0 | 0 | 0 | 111 | R97 I98 G104 F105 | R97-T101 PolarHBondContact O-N 2.83Å; R97-T101 PolarHBondContact O-OG1 3.4Å; R97-T101 VanDerWaalsContact O-OG1 3.12Å; I98-T101 PolarHBondContact O-N 3.48Å; T101-G104 PolarHBondContact O-N 2.92Å; T101-F105 PolarHBondContact O-N 3.26Å |
| 102 | W | 97.5 | Very high | 94.3 | Very high | 143 Ų | 143 | 103.5 Ų | 103.5 | 54% | 0.542 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.2 | -47.4 | 177.8 | 178.3 | -110 | 0 | 0 | 0 | 112.8 | I98 Q99 G104 F105 Y106 | I98-W102 WeakPolarHBondContact O-CB 3.43Å; I98-W102 PolarHBondContact O-N 2.86Å; Q99-W102 PolarHBondContact O-N 2.96Å; W102-G104 VanDerWaalsContact C-N 3.3Å; W102-G104 PolarHBondContact O-N 3.44Å; W102-F105 AromaticContact CE3-CD1 3.77Å; W102-F105 HydrophobicContact CE3-CD1 3.77Å; W102-F105 HydrophobicContact CE3-CE1 4.32Å; W102-F105 HydrophobicContact CH2-CD1 4.07Å; W102-F105 AromaticContact CH2-CE1 3.89Å; W102-F105 HydrophobicContact CH2-CE1 3.89Å; W102-F105 AromaticContact CZ3-CD1 3.52Å; W102-F105 HydrophobicContact CZ3-CD1 3.52Å; W102-F105 AromaticContact CZ3-CE1 3.59Å; W102-F105 HydrophobicContact CZ3-CE1 3.59Å; W102-F105 WeakPolarHBondContact O-CB 3.43Å; W102-F105 PolarHBondContact O-N 3.42Å; W102-Y106 WeakPolarHBondContact O-CB 3.39Å; W102-Y106 PolarHBondContact O-N 3.48Å |
| 103 | R | 95.7 | Very high | 93.5 | Very high | 123 Ų | 123 | 106.8 Ų | 106.8 | 46% | 0.464 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -58.4 | -43.4 | 176.9 | -75.6 | 178.2 | -178.4 | 111 | 7.5 | 111.5 | Q99 K100 Y106 Y107 L244 | Q99-R103 VanDerWaalsContact CB-NH1 3.31Å; Q99-R103 WeakPolarHBondContact O-CB 3.26Å; Q99-R103 VanDerWaalsContact O-CG 3.27Å; Q99-R103 WeakPolarHBondContact O-CG 3.43Å; Q99-R103 PolarHBondContact O-N 2.87Å; K100-R103 PolarHBondContact O-N 3.35Å; R103-Y106 PolarHBondContact O-N 2.83Å; R103-Y107 WeakPolarHBondContact O-CB 3.49Å; R103-Y107 PolarHBondContact O-N 3.41Å; R103-L244 HydrophobicContact CG-CD1 3.89Å |
| 104 | G | 94.3 | Very high | 92.7 | Very high | 21 Ų | 21 | 107.6 Ų | 107.6 | 22% | 0.216 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -62.3 | -44.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | K100 T101 W102 R108 | K100-G104 PolarHBondContact O-N 3.42Å; T101-G104 PolarHBondContact O-N 2.92Å; W102-G104 VanDerWaalsContact C-N 3.3Å; W102-G104 PolarHBondContact O-N 3.44Å; G104-R108 WeakPolarHBondContact O-CG 3.38Å; G104-R108 PolarHBondContact O-N 3.4Å; G104-R108 PolarHBondContact O-NH1 3.01Å |
| 105 | F | 94 | Very high | 92.1 | Very high | 83 Ų | 83 | 112 Ų | 112 | 36% | 0.364 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.6 | -51.4 | 174.4 | 165.7 | -99 | 0 | 0 | 0 | 111.8 | T101 W102 Y107 R108 K109 | T101-F105 PolarHBondContact O-N 3.26Å; W102-F105 AromaticContact CE3-CD1 3.77Å; W102-F105 HydrophobicContact CE3-CD1 3.77Å; W102-F105 HydrophobicContact CE3-CE1 4.32Å; W102-F105 HydrophobicContact CH2-CD1 4.07Å; W102-F105 AromaticContact CH2-CE1 3.89Å; W102-F105 HydrophobicContact CH2-CE1 3.89Å; W102-F105 AromaticContact CZ3-CD1 3.52Å; W102-F105 HydrophobicContact CZ3-CD1 3.52Å; W102-F105 AromaticContact CZ3-CE1 3.59Å; W102-F105 HydrophobicContact CZ3-CE1 3.59Å; W102-F105 WeakPolarHBondContact O-CB 3.43Å; W102-F105 PolarHBondContact O-N 3.42Å; F105-Y107 PolarHBondContact O-N 2.82Å; F105-R108 PolarHBondContact O-N 2.87Å; F105-K109 HydrophobicContact CE1-CD 4.09Å; F105-K109 HydrophobicContact CE2-CD 3.91Å; F105-K109 HydrophobicContact CZ-CB 4.46Å; F105-K109 HydrophobicContact CZ-CD 3.42Å; F105-K109 VanDerWaalsContact CZ-CD 3.42Å; F105-K109 WeakPolarHBondContact O-CB 3.41Å; F105-K109 PolarHBondContact O-N 3.45Å |
| 106 | Y | 94.6 | Very high | 91.5 | Very high | 93 Ų | 93 | 112.4 Ų | 112.4 | 37% | 0.365 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.5 | -47.2 | -177.5 | -177.6 | -89.2 | 0 | 0 | 0 | 111.5 | W102 R103 R108 K109 Y110 I111 | W102-Y106 WeakPolarHBondContact O-CB 3.39Å; W102-Y106 PolarHBondContact O-N 3.48Å; R103-Y106 PolarHBondContact O-N 2.83Å; Y106-R108 PolarHBondContact O-N 3.23Å; Y106-K109 PolarHBondContact O-N 3.34Å; Y106-Y110 AromaticContact CD2-CD2 3.45Å; Y106-Y110 HydrophobicContact CD2-CD2 3.45Å; Y106-Y110 VanDerWaalsContact CD2-CD2 3.45Å; Y106-Y110 AromaticContact CD2-CE2 3.87Å; Y106-Y110 HydrophobicContact CD2-CE2 3.87Å; Y106-Y110 AromaticContact CE2-CD2 3.55Å; Y106-Y110 HydrophobicContact CE2-CD2 3.55Å; Y106-Y110 HydrophobicContact CE2-CE2 4.07Å; Y106-Y110 HydrophobicContact CE2-CG 4.29Å; Y106-Y110 HydrophobicContact CG-CD2 4.01Å; Y106-Y110 PolarHBondContact O-N 3.3Å; Y106-I111 HydrophobicContact CD1-CD1 4.12Å; Y106-I111 HydrophobicContact CE1-CD1 3.87Å; Y106-I111 HydrophobicContact CE1-CG1 4.29Å |
| 107 | Y | 91.9 | Very high | 91.1 | Very high | 125 Ų | 125 | 115.8 Ų | 115.8 | 49% | 0.49 | 50% | 0.504 | S | S | . | . | I | π-helix | trans | -61.7 | -45.6 | 180 | -167.6 | -94.4 | 0 | 0 | 0 | 111.8 | R103 F105 K109 I111 H112 | R103-Y107 WeakPolarHBondContact O-CB 3.49Å; R103-Y107 PolarHBondContact O-N 3.41Å; F105-Y107 PolarHBondContact O-N 2.82Å; Y107-K109 VanDerWaalsContact C-N 3.33Å; Y107-K109 PolarHBondContact O-N 3.07Å; Y107-I111 HydrophobicContact CD2-CB 3.81Å; Y107-I111 HydrophobicContact CD2-CD1 3.54Å; Y107-I111 HydrophobicContact CD2-CG1 4.26Å; Y107-I111 HydrophobicContact CD2-CG2 3.91Å; Y107-I111 HydrophobicContact CE2-CB 3.91Å; Y107-I111 HydrophobicContact CE2-CD1 4.02Å; Y107-I111 HydrophobicContact CE2-CG2 3.45Å; Y107-I111 VanDerWaalsContact CE2-CG2 3.45Å; Y107-I111 HydrophobicContact CG-CB 4.27Å; Y107-I111 HydrophobicContact CG-CD1 4.44Å; Y107-I111 PolarHBondContact O-N 3.07Å; Y107-H112 HydrophobicContact CD1-CB 3.75Å; Y107-H112 HydrophobicContact CE1-CB 3.49Å; Y107-H112 VanDerWaalsContact CE1-CB 3.49Å; Y107-H112 PolarHBondContact O-N 3.38Å |
| 108 | R | 88.3 | Confident | 90.8 | Very high | 172 Ų | 172 | 113.1 Ų | 113.1 | 65% | 0.649 | 50% | 0.496 | S | S | * | . | I | π-helix | trans | -67.6 | -31.3 | 178.6 | -71.7 | -171.5 | -64.5 | -91.6 | 3.3 | 113.4 | G104 F105 Y106 | G104-R108 WeakPolarHBondContact O-CG 3.38Å; G104-R108 PolarHBondContact O-N 3.4Å; G104-R108 PolarHBondContact O-NH1 3.01Å; F105-R108 PolarHBondContact O-N 2.87Å; Y106-R108 PolarHBondContact O-N 3.23Å |
| 109 | K | 87.4 | Confident | 90.6 | Very high | 121 Ų | 121 | 114.9 Ų | 114.9 | 53% | 0.526 | 50% | 0.496 | S | S | . | . | I | π-helix | trans | -82.4 | -41.4 | -178.5 | -174.1 | 169 | 178.4 | -177.1 | 0 | 112.8 | F105 Y106 Y107 | F105-K109 HydrophobicContact CE1-CD 4.09Å; F105-K109 HydrophobicContact CE2-CD 3.91Å; F105-K109 HydrophobicContact CZ-CB 4.46Å; F105-K109 HydrophobicContact CZ-CD 3.42Å; F105-K109 VanDerWaalsContact CZ-CD 3.42Å; F105-K109 WeakPolarHBondContact O-CB 3.41Å; F105-K109 PolarHBondContact O-N 3.45Å; Y106-K109 PolarHBondContact O-N 3.34Å; Y107-K109 VanDerWaalsContact C-N 3.33Å; Y107-K109 PolarHBondContact O-N 3.07Å |
| 110 | Y | 87.9 | Confident | 90.4 | Very high | 133 Ų | 133 | 117.6 Ų | 117.6 | 52% | 0.522 | 50% | 0.503 | S | S | . | . | I | π-helix | trans | -116.9 | -24.1 | -166.2 | -59.3 | -67.7 | 0 | 0 | 0 | 115.2 | Y106 | Y106-Y110 AromaticContact CD2-CD2 3.45Å; Y106-Y110 HydrophobicContact CD2-CD2 3.45Å; Y106-Y110 VanDerWaalsContact CD2-CD2 3.45Å; Y106-Y110 AromaticContact CD2-CE2 3.87Å; Y106-Y110 HydrophobicContact CD2-CE2 3.87Å; Y106-Y110 AromaticContact CE2-CD2 3.55Å; Y106-Y110 HydrophobicContact CE2-CD2 3.55Å; Y106-Y110 HydrophobicContact CE2-CE2 4.07Å; Y106-Y110 HydrophobicContact CE2-CG 4.29Å; Y106-Y110 HydrophobicContact CG-CD2 4.01Å; Y106-Y110 PolarHBondContact O-N 3.3Å |
| 111 | I | 86.5 | Confident | 90.3 | Very high | 97 Ų | 97 | 113.9 Ų | 113.9 | 50% | 0.497 | 49% | 0.491 | S | S | . | . | I | π-helix | trans | -105.3 | -52 | -176.7 | -63.1 | 166.3 | 0 | 0 | 0 | 110.9 | Y106 Y107 | Y106-I111 HydrophobicContact CD1-CD1 4.12Å; Y106-I111 HydrophobicContact CE1-CD1 3.87Å; Y106-I111 HydrophobicContact CE1-CG1 4.29Å; Y107-I111 HydrophobicContact CD2-CB 3.81Å; Y107-I111 HydrophobicContact CD2-CD1 3.54Å; Y107-I111 HydrophobicContact CD2-CG1 4.26Å; Y107-I111 HydrophobicContact CD2-CG2 3.91Å; Y107-I111 HydrophobicContact CE2-CB 3.91Å; Y107-I111 HydrophobicContact CE2-CD1 4.02Å; Y107-I111 HydrophobicContact CE2-CG2 3.45Å; Y107-I111 VanDerWaalsContact CE2-CG2 3.45Å; Y107-I111 HydrophobicContact CG-CB 4.27Å; Y107-I111 HydrophobicContact CG-CD1 4.44Å; Y107-I111 PolarHBondContact O-N 3.07Å |
| 112 | H | 80.4 | Confident | 90.3 | Very high | 77 Ų | 77 | 113.9 Ų | 113.9 | 36% | 0.356 | 48% | 0.483 | S | S | . | . | trans | -95.7 | 103.9 | -172.7 | -176.4 | -85 | 0 | 0 | 0 | 111.9 | Y107 | Y107-H112 HydrophobicContact CD1-CB 3.75Å; Y107-H112 HydrophobicContact CE1-CB 3.49Å; Y107-H112 VanDerWaalsContact CE1-CB 3.49Å; Y107-H112 PolarHBondContact O-N 3.38Å | ||
| 113 | Y | 81.2 | Confident | 90.3 | Very high | 151 Ų | 151 | 112.7 Ų | 112.7 | 59% | 0.592 | 48% | 0.484 | S | S | * | . | trans | -101.5 | 90.9 | 171.1 | -170.6 | -95.3 | 0 | 0 | 0 | 110.4 | Y115 A116 R117 | Y113-Y115 VanDerWaalsContact C-N 3.27Å; Y113-Y115 PolarHBondContact O-N 3.35Å; Y113-A116 HydrophobicContact CD1-CB 3.26Å; Y113-A116 HydrophobicContact CE1-CB 3.69Å; Y113-A116 HydrophobicContact CG-CB 4.42Å; Y113-A116 PolarHBondContact O-N 3.06Å; Y113-R117 PolarHBondContact O-N 3.28Å | ||
| 114 | F | 82.1 | Confident | 90.4 | Very high | 113 Ų | 113 | 109.4 Ų | 109.4 | 50% | 0.496 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -51.2 | -44.3 | -174.9 | 174.7 | -103.3 | 0 | 0 | 0 | 113 | A116 R117 K118 | F114-A116 PolarHBondContact O-N 3.4Å; F114-R117 PolarHBondContact O-N 3.46Å; F114-K118 HydrophobicContact CE1-CD 4.25Å; F114-K118 HydrophobicContact CZ-CD 4.46Å; F114-K118 PolarHBondContact O-N 3.44Å |
| 115 | Y | 85 | Confident | 90.5 | Very high | 150 Ų | 150 | 113.3 Ų | 113.3 | 59% | 0.588 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -68.7 | -34.4 | -175.3 | -64.5 | -77 | 0 | 0 | 0 | 113 | Y113 K118 R119 | Y113-Y115 VanDerWaalsContact C-N 3.27Å; Y113-Y115 PolarHBondContact O-N 3.35Å; Y115-K118 PolarHBondContact O-N 2.84Å; Y115-R119 WeakPolarHBondContact O-CB 3.31Å; Y115-R119 VanDerWaalsContact O-CG 3.28Å; Y115-R119 WeakPolarHBondContact O-CG 3.39Å; Y115-R119 PolarHBondContact O-N 3.43Å |
| 116 | A | 86.8 | Confident | 90.7 | Very high | 48 Ų | 48 | 115.4 Ų | 115.4 | 40% | 0.397 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -70.3 | -40.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y113 F114 K118 R119 Y120 | Y113-A116 HydrophobicContact CD1-CB 3.26Å; Y113-A116 HydrophobicContact CE1-CB 3.69Å; Y113-A116 HydrophobicContact CG-CB 4.42Å; Y113-A116 PolarHBondContact O-N 3.06Å; F114-A116 PolarHBondContact O-N 3.4Å; A116-K118 VanDerWaalsContact C-N 3.31Å; A116-K118 PolarHBondContact O-N 3Å; A116-R119 PolarHBondContact O-N 2.9Å; A116-Y120 VanDerWaalsContact O-CB 3.31Å; A116-Y120 WeakPolarHBondContact O-CB 3.37Å; A116-Y120 PolarHBondContact O-N 3.4Å |
| 117 | R | 88.9 | Confident | 90.8 | Very high | 159 Ų | 159 | 117.9 Ų | 117.9 | 60% | 0.6 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.7 | -44.1 | 175.2 | -174.2 | 70.8 | 179.7 | -104.5 | 1.8 | 111 | Y113 F114 Y120 L121 | Y113-R117 PolarHBondContact O-N 3.28Å; F114-R117 PolarHBondContact O-N 3.46Å; R117-Y120 PolarHBondContact O-N 2.92Å; R117-L121 HydrophobicContact CG-CD1 4.47Å; R117-L121 WeakPolarHBondContact O-CG 3.46Å; R117-L121 PolarHBondContact O-N 3.05Å; R117-L121 VanDerWaalsContact O-N 3.08Å |
| 118 | K | 92.3 | Very high | 91.1 | Very high | 105 Ų | 105 | 115.7 Ų | 115.7 | 46% | 0.457 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.7 | -48.2 | 176.2 | -174 | 176.6 | 179.8 | 179.7 | 0 | 111.8 | F114 Y115 A116 Y120 L121 Q122 | F114-K118 HydrophobicContact CE1-CD 4.25Å; F114-K118 HydrophobicContact CZ-CD 4.46Å; F114-K118 PolarHBondContact O-N 3.44Å; Y115-K118 PolarHBondContact O-N 2.84Å; A116-K118 VanDerWaalsContact C-N 3.31Å; A116-K118 PolarHBondContact O-N 3Å; K118-Y120 PolarHBondContact O-N 3.36Å; K118-L121 PolarHBondContact O-N 3.34Å; K118-Q122 WeakPolarHBondContact O-CG 3.49Å; K118-Q122 PolarHBondContact O-N 3.46Å |
| 119 | R | 93.9 | Very high | 91.5 | Very high | 159 Ų | 159 | 112.2 Ų | 112.2 | 60% | 0.6 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -59.8 | -44 | 177.3 | -75.5 | 177.4 | 179.7 | -178.9 | 0.2 | 112 | Y115 A116 L121 Q122 Q123 | Y115-R119 WeakPolarHBondContact O-CB 3.31Å; Y115-R119 VanDerWaalsContact O-CG 3.28Å; Y115-R119 WeakPolarHBondContact O-CG 3.39Å; Y115-R119 PolarHBondContact O-N 3.43Å; A116-R119 PolarHBondContact O-N 2.9Å; R119-L121 PolarHBondContact O-N 2.86Å; R119-Q122 PolarHBondContact O-N 3.2Å; R119-Q123 WeakPolarHBondContact O-CG 3.37Å; R119-Q123 PolarHBondContact O-N 3.38Å |
| 120 | Y | 94.4 | Very high | 92 | Very high | 135 Ų | 135 | 111 Ų | 111 | 53% | 0.529 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.4 | -46.2 | 177 | 174.2 | -107 | 0 | 0 | 0 | 112.2 | A116 R117 K118 Q122 Q123 I124 | A116-Y120 VanDerWaalsContact O-CB 3.31Å; A116-Y120 WeakPolarHBondContact O-CB 3.37Å; A116-Y120 PolarHBondContact O-N 3.4Å; R117-Y120 PolarHBondContact O-N 2.92Å; K118-Y120 PolarHBondContact O-N 3.36Å; Y120-Q122 PolarHBondContact O-N 3.48Å; Y120-Q123 PolarHBondContact O-N 3.02Å; Y120-I124 HydrophobicContact CD1-CD1 3.84Å; Y120-I124 HydrophobicContact CE1-CD1 3.27Å; Y120-I124 HydrophobicContact CE1-CG1 4.4Å; Y120-I124 HydrophobicContact CE2-CD1 4.06Å; Y120-I124 HydrophobicContact CE2-CG1 4.45Å; Y120-I124 HydrophobicContact CG-CD1 4.45Å; Y120-I124 VanDerWaalsContact CZ-CD1 3.4Å; Y120-I124 PolarHBondContact O-N 3.18Å |
| 121 | L | 96.6 | Very high | 92.4 | Very high | 83 Ų | 83 | 107.9 Ų | 107.9 | 44% | 0.435 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.7 | -39.8 | 177.5 | -69.6 | 173.8 | 0 | 0 | 0 | 112.3 | R117 K118 R119 Q123 I124 L125 | R117-L121 HydrophobicContact CG-CD1 4.47Å; R117-L121 WeakPolarHBondContact O-CG 3.46Å; R117-L121 PolarHBondContact O-N 3.05Å; R117-L121 VanDerWaalsContact O-N 3.08Å; K118-L121 PolarHBondContact O-N 3.34Å; R119-L121 PolarHBondContact O-N 2.86Å; L121-Q123 VanDerWaalsContact C-N 3.33Å; L121-Q123 PolarHBondContact O-N 3.28Å; L121-I124 PolarHBondContact O-N 2.94Å; L121-L125 WeakPolarHBondContact O-CG 3.34Å; L121-L125 PolarHBondContact O-N 2.82Å |
| 122 | Q | 97 | Very high | 92.9 | Very high | 100 Ų | 100 | 111.4 Ų | 111.4 | 47% | 0.467 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.3 | -42 | 174.3 | -73.2 | 175.4 | -36.4 | 0 | 0 | 111.7 | K118 R119 Y120 I124 L125 M126 | K118-Q122 WeakPolarHBondContact O-CG 3.49Å; K118-Q122 PolarHBondContact O-N 3.46Å; R119-Q122 PolarHBondContact O-N 3.2Å; Y120-Q122 PolarHBondContact O-N 3.48Å; Q122-I124 VanDerWaalsContact C-N 3.34Å; Q122-I124 PolarHBondContact O-N 3.45Å; Q122-L125 PolarHBondContact O-N 2.93Å; Q122-M126 WeakPolarHBondContact O-CG 3.26Å; Q122-M126 PolarHBondContact O-N 3.12Å |
| 123 | Q | 97.1 | Very high | 93.7 | Very high | 119 Ų | 119 | 114.1 Ų | 114.1 | 56% | 0.556 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.3 | -39.3 | 175.6 | -72.3 | 174.4 | 1.6 | 0 | 0 | 112.3 | R119 Y120 L121 M126 K127 | R119-Q123 WeakPolarHBondContact O-CG 3.37Å; R119-Q123 PolarHBondContact O-N 3.38Å; Y120-Q123 PolarHBondContact O-N 3.02Å; L121-Q123 VanDerWaalsContact C-N 3.33Å; L121-Q123 PolarHBondContact O-N 3.28Å; Q123-M126 PolarHBondContact O-N 3.32Å; Q123-K127 WeakPolarHBondContact O-CG 3.43Å; Q123-K127 PolarHBondContact O-N 3.29Å |
| 124 | I | 97.6 | Very high | 94.4 | Very high | 53 Ų | 53 | 111.7 Ų | 111.7 | 27% | 0.272 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.4 | -45.1 | 173.8 | -72.3 | 168.5 | 0 | 0 | 0 | 110.8 | Y120 L121 Q122 M126 K127 N128 | Y120-I124 HydrophobicContact CD1-CD1 3.84Å; Y120-I124 HydrophobicContact CE1-CD1 3.27Å; Y120-I124 HydrophobicContact CE1-CG1 4.4Å; Y120-I124 HydrophobicContact CE2-CD1 4.06Å; Y120-I124 HydrophobicContact CE2-CG1 4.45Å; Y120-I124 HydrophobicContact CG-CD1 4.45Å; Y120-I124 VanDerWaalsContact CZ-CD1 3.4Å; Y120-I124 PolarHBondContact O-N 3.18Å; L121-I124 PolarHBondContact O-N 2.94Å; Q122-I124 VanDerWaalsContact C-N 3.34Å; Q122-I124 PolarHBondContact O-N 3.45Å; I124-M126 PolarHBondContact O-N 2.81Å; I124-K127 PolarHBondContact O-N 2.86Å; I124-N128 WeakPolarHBondContact CG2-ND2 3.39Å; I124-N128 WeakPolarHBondContact O-CB 3.37Å; I124-N128 VanDerWaalsContact O-CG 3.23Å; I124-N128 PolarHBondContact O-N 3.45Å; I124-N128 PolarHBondContact O-ND2 3.43Å |
| 125 | L | 97.5 | Very high | 95.1 | Very high | 103 Ų | 103 | 111.2 Ų | 111.2 | 54% | 0.539 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.2 | -48.4 | 179 | -72.3 | 171.9 | 0 | 0 | 0 | 111.3 | L121 Q122 K127 N128 E129 | L121-L125 WeakPolarHBondContact O-CG 3.34Å; L121-L125 PolarHBondContact O-N 2.82Å; Q122-L125 PolarHBondContact O-N 2.93Å; L125-K127 VanDerWaalsContact C-N 3.32Å; L125-K127 PolarHBondContact O-N 3.46Å; L125-N128 PolarHBondContact O-N 3.31Å; L125-E129 WeakPolarHBondContact O-CG 3.28Å; L125-E129 PolarHBondContact O-N 2.9Å |
| 126 | M | 96.6 | Very high | 95.7 | Very high | 128 Ų | 128 | 107.9 Ų | 107.9 | 63% | 0.631 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59.4 | -42.5 | 177.5 | -67.7 | -68.8 | 171.6 | 0 | 0 | 112.1 | Q122 Q123 I124 E129 L130 | Q122-M126 WeakPolarHBondContact O-CG 3.26Å; Q122-M126 PolarHBondContact O-N 3.12Å; Q123-M126 PolarHBondContact O-N 3.32Å; I124-M126 PolarHBondContact O-N 2.81Å; M126-E129 PolarHBondContact O-N 3.48Å; M126-L130 WeakPolarHBondContact O-CB 3.21Å; M126-L130 PolarHBondContact O-N 3.2Å |
| 127 | K | 97.2 | Very high | 96.1 | Very high | 144 Ų | 144 | 111.7 Ų | 111.7 | 63% | 0.626 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.6 | -42.9 | 175.8 | -75 | -178 | 177.4 | -175.1 | 0 | 112.2 | Q123 I124 L125 E129 L130 V131 | Q123-K127 WeakPolarHBondContact O-CG 3.43Å; Q123-K127 PolarHBondContact O-N 3.29Å; I124-K127 PolarHBondContact O-N 2.86Å; L125-K127 VanDerWaalsContact C-N 3.32Å; L125-K127 PolarHBondContact O-N 3.46Å; K127-E129 VanDerWaalsContact C-N 3.33Å; K127-E129 PolarHBondContact O-N 3.27Å; K127-L130 PolarHBondContact O-N 3.22Å; K127-V131 WeakPolarHBondContact O-CG2 3.48Å; K127-V131 PolarHBondContact O-N 3.31Å |
| 128 | N | 97.6 | Very high | 96.5 | Very high | 80 Ų | 80 | 108.3 Ų | 108.3 | 43% | 0.428 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.7 | -39.7 | 177.9 | -72.2 | -16.3 | 0 | 0 | 0 | 111.6 | I124 L125 L130 V131 R132 | I124-N128 WeakPolarHBondContact CG2-ND2 3.39Å; I124-N128 WeakPolarHBondContact O-CB 3.37Å; I124-N128 VanDerWaalsContact O-CG 3.23Å; I124-N128 PolarHBondContact O-N 3.45Å; I124-N128 PolarHBondContact O-ND2 3.43Å; L125-N128 PolarHBondContact O-N 3.31Å; N128-L130 VanDerWaalsContact C-N 3.34Å; N128-V131 PolarHBondContact O-N 3.08Å; N128-R132 WeakPolarHBondContact O-CB 3.49Å; N128-R132 VanDerWaalsContact O-CG 3.27Å; N128-R132 WeakPolarHBondContact O-CG 3.44Å; N128-R132 PolarHBondContact O-N 3.49Å |
| 129 | E | 97.2 | Very high | 96.7 | Very high | 99 Ų | 99 | 109 Ų | 109 | 46% | 0.463 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.4 | -41.2 | 174.7 | -74.7 | 177.7 | -172.2 | 0 | 0 | 112 | L125 M126 K127 R132 K133 | L125-E129 WeakPolarHBondContact O-CG 3.28Å; L125-E129 PolarHBondContact O-N 2.9Å; M126-E129 PolarHBondContact O-N 3.48Å; K127-E129 VanDerWaalsContact C-N 3.33Å; K127-E129 PolarHBondContact O-N 3.27Å; E129-R132 PolarHBondContact O-N 3.25Å; E129-K133 WeakPolarHBondContact O-CG 3.43Å; E129-K133 PolarHBondContact O-N 3.48Å; E129-K133 VanDerWaalsContact O-N 3.11Å |
| 130 | L | 97.3 | Very high | 96.7 | Very high | 94 Ų | 94 | 107.5 Ų | 107.5 | 49% | 0.492 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.2 | -49.7 | 175.9 | -177.2 | 151 | 0 | 0 | 0 | 111.3 | M126 K127 N128 R132 K133 E134 | M126-L130 WeakPolarHBondContact O-CB 3.21Å; M126-L130 PolarHBondContact O-N 3.2Å; K127-L130 PolarHBondContact O-N 3.22Å; N128-L130 VanDerWaalsContact C-N 3.34Å; L130-R132 VanDerWaalsContact C-N 3.27Å; L130-R132 PolarHBondContact O-N 3.48Å; L130-K133 WeakPolarHBondContact O-CB 3.5Å; L130-K133 PolarHBondContact O-N 3.26Å; L130-K133 VanDerWaalsContact O-N 3.09Å; L130-E134 VanDerWaalsContact CD2-CD 3.44Å; L130-E134 HydrophobicContact CD2-CG 4.15Å; L130-E134 WeakPolarHBondContact CD2-OE1 3.25Å; L130-E134 WeakPolarHBondContact O-CG 3.46Å; L130-E134 PolarHBondContact O-N 3.01Å |
| 131 | V | 97.2 | Very high | 96.7 | Very high | 68 Ų | 68 | 103.2 Ų | 103.2 | 41% | 0.412 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.6 | -38.5 | 178 | 170.7 | 0 | 0 | 0 | 0 | 111.3 | K127 N128 E134 L135 | K127-V131 WeakPolarHBondContact O-CG2 3.48Å; K127-V131 PolarHBondContact O-N 3.31Å; N128-V131 PolarHBondContact O-N 3.08Å; V131-E134 PolarHBondContact O-N 3.26Å; V131-L135 HydrophobicContact CG1-CD1 4.06Å; V131-L135 HydrophobicContact CG1-CG 4.38Å; V131-L135 WeakPolarHBondContact O-CB 3.49Å; V131-L135 VanDerWaalsContact O-CG 3.26Å; V131-L135 WeakPolarHBondContact O-CG 3.27Å; V131-L135 PolarHBondContact O-N 3.3Å |
| 132 | R | 96.9 | Very high | 96.6 | Very high | 172 Ų | 172 | 103.9 Ų | 103.9 | 65% | 0.649 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.4 | -44.9 | 174.8 | -76.7 | 173.9 | -179.8 | -177.1 | -1.2 | 112.1 | N128 E129 L130 E134 L135 D136 | N128-R132 WeakPolarHBondContact O-CB 3.49Å; N128-R132 VanDerWaalsContact O-CG 3.27Å; N128-R132 WeakPolarHBondContact O-CG 3.44Å; N128-R132 PolarHBondContact O-N 3.49Å; E129-R132 PolarHBondContact O-N 3.25Å; L130-R132 VanDerWaalsContact C-N 3.27Å; L130-R132 PolarHBondContact O-N 3.48Å; R132-E134 PolarHBondContact O-N 3.48Å; R132-L135 PolarHBondContact O-N 3.48Å; R132-D136 PolarHBondContact O-N 2.95Å |
| 133 | K | 96.8 | Very high | 96.5 | Very high | 133 Ų | 133 | 102 Ų | 102 | 58% | 0.578 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.3 | -43 | 176.8 | -70.1 | 174.4 | -178.7 | 177.9 | 0 | 111.8 | E129 L130 L135 D136 E137 | E129-K133 WeakPolarHBondContact O-CG 3.43Å; E129-K133 PolarHBondContact O-N 3.48Å; E129-K133 VanDerWaalsContact O-N 3.11Å; L130-K133 WeakPolarHBondContact O-CB 3.5Å; L130-K133 PolarHBondContact O-N 3.26Å; L130-K133 VanDerWaalsContact O-N 3.09Å; K133-L135 VanDerWaalsContact C-N 3.33Å; K133-L135 PolarHBondContact O-N 2.96Å; K133-D136 PolarHBondContact O-N 3.39Å; K133-E137 WeakPolarHBondContact O-CG 3.46Å; K133-E137 PolarHBondContact O-N 3.27Å |
| 134 | E | 96.8 | Very high | 96.4 | Very high | 101 Ų | 101 | 103.9 Ų | 103.9 | 47% | 0.472 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.9 | -42.8 | 175.8 | -69.7 | 177.6 | 163 | 0 | 0 | 111.4 | L130 V131 R132 E137 I138 | L130-E134 VanDerWaalsContact CD2-CD 3.44Å; L130-E134 HydrophobicContact CD2-CG 4.15Å; L130-E134 WeakPolarHBondContact CD2-OE1 3.25Å; L130-E134 WeakPolarHBondContact O-CG 3.46Å; L130-E134 PolarHBondContact O-N 3.01Å; V131-E134 PolarHBondContact O-N 3.26Å; R132-E134 PolarHBondContact O-N 3.48Å; E134-E137 PolarHBondContact O-N 2.82Å; E134-I138 VanDerWaalsContact O-CG1 3.25Å; E134-I138 WeakPolarHBondContact O-CG1 3.35Å; E134-I138 PolarHBondContact O-N 3.48Å |
| 135 | L | 96.9 | Very high | 96.2 | Very high | 102 Ų | 102 | 107.1 Ų | 107.1 | 53% | 0.534 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.9 | -42.6 | 175.3 | -71.2 | 172.8 | 0 | 0 | 0 | 112 | V131 R132 K133 E137 I138 E139 | V131-L135 HydrophobicContact CG1-CD1 4.06Å; V131-L135 HydrophobicContact CG1-CG 4.38Å; V131-L135 WeakPolarHBondContact O-CB 3.49Å; V131-L135 VanDerWaalsContact O-CG 3.26Å; V131-L135 WeakPolarHBondContact O-CG 3.27Å; V131-L135 PolarHBondContact O-N 3.3Å; R132-L135 PolarHBondContact O-N 3.48Å; K133-L135 VanDerWaalsContact C-N 3.33Å; K133-L135 PolarHBondContact O-N 2.96Å; L135-E137 VanDerWaalsContact C-N 3.3Å; L135-E137 PolarHBondContact O-N 3.02Å; L135-I138 PolarHBondContact O-N 3.48Å; L135-E139 WeakPolarHBondContact O-CB 3.43Å; L135-E139 PolarHBondContact O-N 2.99Å |
| 136 | D | 96.8 | Very high | 96 | Very high | 80 Ų | 80 | 108.1 Ų | 108.1 | 43% | 0.428 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.5 | -37.6 | 176.1 | -64.8 | -18.1 | 0 | 0 | 0 | 111.5 | R132 K133 K140 | R132-D136 PolarHBondContact O-N 2.95Å; K133-D136 PolarHBondContact O-N 3.39Å; D136-K140 WeakPolarHBondContact O-CD 3.27Å; D136-K140 VanDerWaalsContact O-CG 3.25Å; D136-K140 WeakPolarHBondContact O-CG 3.43Å; D136-K140 PolarHBondContact O-N 3.09Å; D136-K140 VanDerWaalsContact O-N 3.08Å |
| 137 | E | 96.3 | Very high | 95.9 | Very high | 129 Ų | 129 | 107.8 Ų | 107.8 | 60% | 0.603 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -69 | -42.4 | 176.5 | -75.2 | 178.1 | -170.9 | 0 | 0 | 112.2 | K133 E134 L135 K140 A141 | K133-E137 WeakPolarHBondContact O-CG 3.46Å; K133-E137 PolarHBondContact O-N 3.27Å; E134-E137 PolarHBondContact O-N 2.82Å; L135-E137 VanDerWaalsContact C-N 3.3Å; L135-E137 PolarHBondContact O-N 3.02Å; E137-K140 PolarHBondContact O-N 3.47Å; E137-A141 WeakPolarHBondContact O-CB 3.48Å; E137-A141 PolarHBondContact O-N 3.04Å |
| 138 | I | 96.3 | Very high | 95.7 | Very high | 87 Ų | 87 | 108.3 Ų | 108.3 | 45% | 0.446 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.9 | -44.6 | 175 | -69 | 164.4 | 0 | 0 | 0 | 110.1 | E134 L135 K140 A141 Q142 | E134-I138 VanDerWaalsContact O-CG1 3.25Å; E134-I138 WeakPolarHBondContact O-CG1 3.35Å; E134-I138 PolarHBondContact O-N 3.48Å; L135-I138 PolarHBondContact O-N 3.48Å; I138-K140 PolarHBondContact O-N 3.25Å; I138-A141 PolarHBondContact O-N 3Å; I138-A141 VanDerWaalsContact O-N 3.14Å; I138-Q142 HydrophobicContact CG2-CG 4.34Å; I138-Q142 WeakPolarHBondContact O-CG 3.49Å; I138-Q142 PolarHBondContact O-N 3.43Å |
| 139 | E | 96.1 | Very high | 95.6 | Very high | 120 Ų | 120 | 108.3 Ų | 108.3 | 56% | 0.561 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -58.3 | -48.2 | 177.1 | -175.4 | 176.5 | -161.2 | 0 | 0 | 110.8 | L135 A141 Q142 T143 | L135-E139 WeakPolarHBondContact O-CB 3.43Å; L135-E139 PolarHBondContact O-N 2.99Å; E139-A141 VanDerWaalsContact C-N 3.29Å; E139-A141 PolarHBondContact O-N 3.5Å; E139-Q142 PolarHBondContact O-N 2.92Å; E139-T143 WeakPolarHBondContact O-CG2 3.41Å; E139-T143 PolarHBondContact O-N 2.91Å; E139-T143 PolarHBondContact O-OG1 2.97Å |
| 140 | K | 95.5 | Very high | 95.5 | Very high | 127 Ų | 127 | 108.9 Ų | 108.9 | 55% | 0.552 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63 | -31.9 | 175.7 | -72.2 | 168.9 | -173.5 | 168.9 | 0 | 113.6 | D136 E137 I138 T143 R144 | D136-K140 WeakPolarHBondContact O-CD 3.27Å; D136-K140 VanDerWaalsContact O-CG 3.25Å; D136-K140 WeakPolarHBondContact O-CG 3.43Å; D136-K140 PolarHBondContact O-N 3.09Å; D136-K140 VanDerWaalsContact O-N 3.08Å; E137-K140 PolarHBondContact O-N 3.47Å; I138-K140 PolarHBondContact O-N 3.25Å; K140-T143 WeakPolarHBondContact CA-OG1 3.26Å; K140-T143 PolarHBondContact O-OG1 3.3Å; K140-T143 VanDerWaalsContact O-OG1 3.07Å; K140-R144 VanDerWaalsContact O-CG 3.3Å; K140-R144 WeakPolarHBondContact O-CG 3.34Å; K140-R144 PolarHBondContact O-N 3.26Å; K140-R144 PolarHBondContact O-NE 2.86Å |
| 141 | A | 94.5 | Very high | 95.3 | Very high | 45 Ų | 45 | 106.2 Ų | 106.2 | 37% | 0.372 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -71.1 | -43.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | E137 I138 E139 R144 E145 | E137-A141 WeakPolarHBondContact O-CB 3.48Å; E137-A141 PolarHBondContact O-N 3.04Å; I138-A141 PolarHBondContact O-N 3Å; I138-A141 VanDerWaalsContact O-N 3.14Å; E139-A141 VanDerWaalsContact C-N 3.29Å; E139-A141 PolarHBondContact O-N 3.5Å; A141-R144 PolarHBondContact O-N 3.04Å; A141-E145 WeakPolarHBondContact O-CB 3.45Å; A141-E145 PolarHBondContact O-N 3.48Å |
| 142 | Q | 93.9 | Very high | 95.1 | Very high | 97 Ų | 97 | 105.1 Ų | 105.1 | 45% | 0.453 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.9 | -39.3 | 177.6 | -72.5 | -178.7 | 4.5 | 0 | 0 | 112.7 | I138 E139 E145 K146 | I138-Q142 HydrophobicContact CG2-CG 4.34Å; I138-Q142 WeakPolarHBondContact O-CG 3.49Å; I138-Q142 PolarHBondContact O-N 3.43Å; E139-Q142 PolarHBondContact O-N 2.92Å; Q142-E145 PolarHBondContact O-N 3.18Å; Q142-K146 WeakPolarHBondContact O-CB 3.29Å; Q142-K146 VanDerWaalsContact O-CG 3.27Å; Q142-K146 WeakPolarHBondContact O-CG 3.4Å; Q142-K146 PolarHBondContact O-N 3.29Å |
| 143 | T | 94.4 | Very high | 94.9 | Very high | 60 Ų | 60 | 103.5 Ų | 103.5 | 37% | 0.368 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.8 | -46.7 | 175.4 | 54.5 | 0 | 0 | 0 | 0 | 111.1 | E139 K140 E145 K146 E147 | E139-T143 WeakPolarHBondContact O-CG2 3.41Å; E139-T143 PolarHBondContact O-N 2.91Å; E139-T143 PolarHBondContact O-OG1 2.97Å; K140-T143 WeakPolarHBondContact CA-OG1 3.26Å; K140-T143 PolarHBondContact O-OG1 3.3Å; K140-T143 VanDerWaalsContact O-OG1 3.07Å; T143-E145 VanDerWaalsContact C-N 3.33Å; T143-E145 PolarHBondContact O-N 2.93Å; T143-K146 WeakPolarHBondContact O-CB 3.43Å; T143-K146 PolarHBondContact O-N 2.91Å; T143-E147 WeakPolarHBondContact O-CG 3.47Å; T143-E147 PolarHBondContact O-N 3.27Å |
| 144 | R | 94.2 | Very high | 94.7 | Very high | 160 Ų | 160 | 102.3 Ų | 102.3 | 60% | 0.604 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -59.4 | -41.6 | 175.3 | -75.6 | -178.1 | -73.6 | 161.8 | -4.6 | 112.6 | K140 A141 E147 Y148 | K140-R144 VanDerWaalsContact O-CG 3.3Å; K140-R144 WeakPolarHBondContact O-CG 3.34Å; K140-R144 PolarHBondContact O-N 3.26Å; K140-R144 PolarHBondContact O-NE 2.86Å; A141-R144 PolarHBondContact O-N 3.04Å; R144-E147 PolarHBondContact O-N 3.26Å; R144-Y148 VanDerWaalsContact O-CB 3.32Å; R144-Y148 WeakPolarHBondContact O-CB 3.32Å; R144-Y148 PolarHBondContact O-N 2.93Å |
| 145 | E | 93.3 | Very high | 94.3 | Very high | 120 Ų | 120 | 103.8 Ų | 103.8 | 56% | 0.561 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.1 | -43.5 | 176.5 | -173.2 | 179.2 | -177.7 | 0 | 0 | 111.3 | A141 Q142 T143 Y148 L149 | A141-E145 WeakPolarHBondContact O-CB 3.45Å; A141-E145 PolarHBondContact O-N 3.48Å; Q142-E145 PolarHBondContact O-N 3.18Å; T143-E145 VanDerWaalsContact C-N 3.33Å; T143-E145 PolarHBondContact O-N 2.93Å; E145-Y148 PolarHBondContact O-N 3.33Å; E145-L149 HydrophobicContact CG-CD1 4.17Å; E145-L149 WeakPolarHBondContact O-CB 3.36Å; E145-L149 VanDerWaalsContact O-CG 3.26Å; E145-L149 WeakPolarHBondContact O-CG 3.39Å; E145-L149 PolarHBondContact O-N 2.97Å |
| 146 | K | 94 | Very high | 93.9 | Very high | 124 Ų | 124 | 105.9 Ų | 105.9 | 54% | 0.539 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.8 | -48.7 | 174.8 | -74 | 171.3 | -177.1 | 174.9 | 0 | 111.7 | Q142 T143 Y148 L149 E150 | Q142-K146 WeakPolarHBondContact O-CB 3.29Å; Q142-K146 VanDerWaalsContact O-CG 3.27Å; Q142-K146 WeakPolarHBondContact O-CG 3.4Å; Q142-K146 PolarHBondContact O-N 3.29Å; T143-K146 WeakPolarHBondContact O-CB 3.43Å; T143-K146 PolarHBondContact O-N 2.91Å; K146-Y148 VanDerWaalsContact C-N 3.3Å; K146-Y148 PolarHBondContact O-N 3.48Å; K146-L149 PolarHBondContact O-N 2.92Å; K146-E150 WeakPolarHBondContact O-CB 3.35Å; K146-E150 WeakPolarHBondContact O-CG 3.29Å; K146-E150 PolarHBondContact O-N 3.21Å |
| 147 | E | 94.4 | Very high | 93.5 | Very high | 122 Ų | 122 | 105.6 Ų | 105.6 | 57% | 0.57 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -58.1 | -42.9 | 176.7 | -72.5 | 168.3 | -172.7 | 0 | 0 | 111.4 | T143 R144 E150 A151 | T143-E147 WeakPolarHBondContact O-CG 3.47Å; T143-E147 PolarHBondContact O-N 3.27Å; R144-E147 PolarHBondContact O-N 3.26Å; E147-E150 PolarHBondContact O-N 2.88Å; E147-A151 WeakPolarHBondContact O-CB 3.46Å; E147-A151 PolarHBondContact O-N 3.35Å |
| 148 | Y | 94.1 | Very high | 93.2 | Very high | 155 Ų | 155 | 103.8 Ų | 103.8 | 61% | 0.608 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.1 | -45 | 176.3 | 178.2 | -107.4 | 0 | 0 | 0 | 112.3 | R144 E145 K146 E150 A151 I152 | R144-Y148 VanDerWaalsContact O-CB 3.32Å; R144-Y148 WeakPolarHBondContact O-CB 3.32Å; R144-Y148 PolarHBondContact O-N 2.93Å; E145-Y148 PolarHBondContact O-N 3.33Å; K146-Y148 VanDerWaalsContact C-N 3.3Å; K146-Y148 PolarHBondContact O-N 3.48Å; Y148-E150 VanDerWaalsContact C-N 3.34Å; Y148-A151 PolarHBondContact O-N 3.49Å; Y148-I152 HydrophobicContact CD1-CD1 3.71Å; Y148-I152 HydrophobicContact CE1-CD1 3.21Å; Y148-I152 HydrophobicContact CE1-CG1 4.31Å; Y148-I152 HydrophobicContact CE2-CD1 4.12Å; Y148-I152 HydrophobicContact CE2-CG1 4.45Å; Y148-I152 HydrophobicContact CG-CD1 4.36Å; Y148-I152 VanDerWaalsContact CZ-CD1 3.44Å; Y148-I152 WeakPolarHBondContact O-CG1 3.43Å; Y148-I152 PolarHBondContact O-N 3.38Å |
| 149 | L | 94.9 | Very high | 92.7 | Very high | 79 Ų | 79 | 101.8 Ų | 101.8 | 41% | 0.414 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65 | -38 | 176.7 | -72 | 172.9 | 0 | 0 | 0 | 112.1 | E145 K146 I152 K153 | E145-L149 HydrophobicContact CG-CD1 4.17Å; E145-L149 WeakPolarHBondContact O-CB 3.36Å; E145-L149 VanDerWaalsContact O-CG 3.26Å; E145-L149 WeakPolarHBondContact O-CG 3.39Å; E145-L149 PolarHBondContact O-N 2.97Å; K146-L149 PolarHBondContact O-N 2.92Å; L149-I152 PolarHBondContact O-N 3.38Å; L149-K153 VanDerWaalsContact O-CG 3.29Å; L149-K153 WeakPolarHBondContact O-CG 3.41Å; L149-K153 PolarHBondContact O-N 3.19Å |
| 150 | E | 94.1 | Very high | 92.3 | Very high | 112 Ų | 112 | 103 Ų | 103 | 52% | 0.523 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.2 | -47.6 | 173.6 | -75.7 | 173.9 | -172 | 0 | 0 | 110.9 | K146 E147 Y148 I152 K153 E154 | K146-E150 WeakPolarHBondContact O-CB 3.35Å; K146-E150 WeakPolarHBondContact O-CG 3.29Å; K146-E150 PolarHBondContact O-N 3.21Å; E147-E150 PolarHBondContact O-N 2.88Å; Y148-E150 VanDerWaalsContact C-N 3.34Å; E150-I152 VanDerWaalsContact C-N 3.31Å; E150-I152 PolarHBondContact O-N 3.45Å; E150-K153 CarbonylContact O-C 3.6Å; E150-K153 WeakPolarHBondContact O-CB 3.47Å; E150-K153 PolarHBondContact O-N 2.95Å; E150-E154 WeakPolarHBondContact O-CG 3.41Å; E150-E154 PolarHBondContact O-N 3.35Å |
| 151 | A | 93.1 | Very high | 91.9 | Very high | 37 Ų | 37 | 101.8 Ų | 101.8 | 31% | 0.306 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.1 | -40.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | E147 Y148 E154 Q155 | E147-A151 WeakPolarHBondContact O-CB 3.46Å; E147-A151 PolarHBondContact O-N 3.35Å; Y148-A151 PolarHBondContact O-N 3.49Å; A151-E154 PolarHBondContact O-N 2.9Å; A151-Q155 WeakPolarHBondContact O-CB 3.3Å; A151-Q155 VanDerWaalsContact O-CG 3.29Å; A151-Q155 WeakPolarHBondContact O-CG 3.42Å; A151-Q155 PolarHBondContact O-N 3.14Å |
| 152 | I | 93.4 | Very high | 91.5 | Very high | 45 Ų | 45 | 99.8 Ų | 99.8 | 23% | 0.231 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -63.1 | -45.2 | 173.3 | -71.3 | 166 | 0 | 0 | 0 | 111 | Y148 L149 E150 E154 Q155 K156 | Y148-I152 HydrophobicContact CD1-CD1 3.71Å; Y148-I152 HydrophobicContact CE1-CD1 3.21Å; Y148-I152 HydrophobicContact CE1-CG1 4.31Å; Y148-I152 HydrophobicContact CE2-CD1 4.12Å; Y148-I152 HydrophobicContact CE2-CG1 4.45Å; Y148-I152 HydrophobicContact CG-CD1 4.36Å; Y148-I152 VanDerWaalsContact CZ-CD1 3.44Å; Y148-I152 WeakPolarHBondContact O-CG1 3.43Å; Y148-I152 PolarHBondContact O-N 3.38Å; L149-I152 PolarHBondContact O-N 3.38Å; E150-I152 VanDerWaalsContact C-N 3.31Å; E150-I152 PolarHBondContact O-N 3.45Å; I152-E154 VanDerWaalsContact C-N 3.33Å; I152-E154 PolarHBondContact O-N 2.87Å; I152-Q155 PolarHBondContact O-N 3.21Å; I152-K156 HydrophobicContact CG2-CD 4.03Å; I152-K156 HydrophobicContact CG2-CG 4.35Å; I152-K156 WeakPolarHBondContact O-CB 3.5Å; I152-K156 WeakPolarHBondContact O-CG 3.25Å; I152-K156 PolarHBondContact O-N 2.89Å |
| 153 | K | 93.3 | Very high | 91.1 | Very high | 138 Ų | 138 | 98.9 Ų | 98.9 | 60% | 0.6 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -60.9 | -44.5 | 178 | -74.7 | 171.6 | -174.4 | 174.9 | 0 | 110.5 | L149 E150 K156 T157 | L149-K153 VanDerWaalsContact O-CG 3.29Å; L149-K153 WeakPolarHBondContact O-CG 3.41Å; L149-K153 PolarHBondContact O-N 3.19Å; E150-K153 CarbonylContact O-C 3.6Å; E150-K153 WeakPolarHBondContact O-CB 3.47Å; E150-K153 PolarHBondContact O-N 2.95Å; K153-K156 PolarHBondContact O-N 3.35Å; K153-T157 WeakPolarHBondContact O-CG2 3.32Å; K153-T157 PolarHBondContact O-N 3.06Å; K153-T157 PolarHBondContact O-OG1 3.31Å |
| 154 | E | 91.8 | Very high | 90.7 | Very high | 109 Ų | 109 | 104 Ų | 104 | 51% | 0.509 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.3 | -42.8 | 175.5 | -72.6 | -175.8 | -176 | 0 | 0 | 112.5 | E150 A151 I152 K156 T157 K158 | E150-E154 WeakPolarHBondContact O-CG 3.41Å; E150-E154 PolarHBondContact O-N 3.35Å; A151-E154 PolarHBondContact O-N 2.9Å; I152-E154 VanDerWaalsContact C-N 3.33Å; I152-E154 PolarHBondContact O-N 2.87Å; E154-K156 VanDerWaalsContact C-N 3.35Å; E154-T157 WeakPolarHBondContact CA-OG1 3.32Å; E154-T157 PolarHBondContact O-N 2.97Å; E154-T157 PolarHBondContact O-OG1 3.5Å; E154-K158 WeakPolarHBondContact O-CB 3.29Å; E154-K158 VanDerWaalsContact O-CG 3.24Å; E154-K158 WeakPolarHBondContact O-CG 3.47Å; E154-K158 PolarHBondContact O-N 2.88Å |
| 155 | Q | 88.2 | Confident | 90.3 | Very high | 132 Ų | 132 | 99.6 Ų | 99.6 | 62% | 0.617 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -63.1 | -42.7 | 174.9 | -74.2 | 177.9 | 18 | 0 | 0 | 111.3 | A151 I152 K158 A159 | A151-Q155 WeakPolarHBondContact O-CB 3.3Å; A151-Q155 VanDerWaalsContact O-CG 3.29Å; A151-Q155 WeakPolarHBondContact O-CG 3.42Å; A151-Q155 PolarHBondContact O-N 3.14Å; I152-Q155 PolarHBondContact O-N 3.21Å; Q155-K158 PolarHBondContact O-N 3.41Å; Q155-A159 WeakPolarHBondContact O-CB 3.37Å; Q155-A159 PolarHBondContact O-N 2.82Å |
| 156 | K | 88.8 | Confident | 89.9 | Confident | 146 Ų | 146 | 95.5 Ų | 95.5 | 64% | 0.635 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -63.8 | -42.1 | 176.3 | -75.1 | 179.4 | 179.3 | -178.9 | 0 | 112.2 | I152 K153 E154 A159 Y160 | I152-K156 HydrophobicContact CG2-CD 4.03Å; I152-K156 HydrophobicContact CG2-CG 4.35Å; I152-K156 WeakPolarHBondContact O-CB 3.5Å; I152-K156 WeakPolarHBondContact O-CG 3.25Å; I152-K156 PolarHBondContact O-N 2.89Å; K153-K156 PolarHBondContact O-N 3.35Å; E154-K156 VanDerWaalsContact C-N 3.35Å; K156-A159 PolarHBondContact O-N 3.44Å; K156-Y160 WeakPolarHBondContact O-CB 3.42Å; K156-Y160 PolarHBondContact O-N 3.5Å |
| 157 | T | 89.6 | Confident | 89.4 | Confident | 73 Ų | 73 | 96 Ų | 96 | 45% | 0.448 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -67.6 | -41.6 | 177.5 | 56 | 0 | 0 | 0 | 0 | 111.4 | K153 E154 Y160 Q161 | K153-T157 WeakPolarHBondContact O-CG2 3.32Å; K153-T157 PolarHBondContact O-N 3.06Å; K153-T157 PolarHBondContact O-OG1 3.31Å; E154-T157 WeakPolarHBondContact CA-OG1 3.32Å; E154-T157 PolarHBondContact O-N 2.97Å; E154-T157 PolarHBondContact O-OG1 3.5Å; T157-Y160 PolarHBondContact O-N 3.28Å; T157-Q161 WeakPolarHBondContact O-CB 3.38Å; T157-Q161 VanDerWaalsContact O-CG 3.29Å; T157-Q161 WeakPolarHBondContact O-CG 3.38Å; T157-Q161 PolarHBondContact O-N 3.43Å |
| 158 | K | 88.4 | Confident | 89 | Confident | 92 Ų | 92 | 92.3 Ų | 92.3 | 40% | 0.4 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59.3 | -45.5 | 172.9 | -73.5 | 173.7 | -174.8 | 177.5 | 0 | 111.6 | E154 Q155 Y160 Q161 A162 L192 | E154-K158 WeakPolarHBondContact O-CB 3.29Å; E154-K158 VanDerWaalsContact O-CG 3.24Å; E154-K158 WeakPolarHBondContact O-CG 3.47Å; E154-K158 PolarHBondContact O-N 2.88Å; Q155-K158 PolarHBondContact O-N 3.41Å; K158-Y160 PolarHBondContact O-N 3.41Å; K158-Q161 PolarHBondContact O-N 3.26Å; K158-A162 WeakPolarHBondContact O-CB 3.24Å; K158-A162 PolarHBondContact O-N 3.24Å; K158-L192 HydrophobicContact CB-CD1 4.37Å |
| 159 | A | 86.8 | Confident | 88.7 | Confident | 44 Ų | 44 | 86.7 Ų | 86.7 | 36% | 0.364 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63 | -41.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q155 K156 A162 Y163 | Q155-A159 WeakPolarHBondContact O-CB 3.37Å; Q155-A159 PolarHBondContact O-N 2.82Å; K156-A159 PolarHBondContact O-N 3.44Å; A159-A162 PolarHBondContact O-N 3.47Å; A159-Y163 PolarHBondContact O-N 2.9Å |
| 160 | Y | 87.5 | Confident | 88.2 | Confident | 145 Ų | 145 | 84.2 Ų | 84.2 | 57% | 0.569 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -64.9 | -41.3 | 175.8 | 179.8 | -105.1 | 0 | 0 | 0 | 112.5 | K156 T157 K158 Y163 R164 | K156-Y160 WeakPolarHBondContact O-CB 3.42Å; K156-Y160 PolarHBondContact O-N 3.5Å; T157-Y160 PolarHBondContact O-N 3.28Å; K158-Y160 PolarHBondContact O-N 3.41Å; Y160-Y163 PolarHBondContact O-N 2.84Å; Y160-R164 HydrophobicContact CE1-CG 4.16Å; Y160-R164 HydrophobicContact CE2-CG 4.48Å; Y160-R164 PolarHBondContact O-N 3.26Å |
| 161 | Q | 87.7 | Confident | 87.6 | Confident | 102 Ų | 102 | 83.1 Ų | 83.1 | 48% | 0.477 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.8 | -45 | 173.8 | -73.6 | 174.7 | 7.7 | 0 | 0 | 111.2 | T157 K158 Y163 R164 L165 | T157-Q161 WeakPolarHBondContact O-CB 3.38Å; T157-Q161 VanDerWaalsContact O-CG 3.29Å; T157-Q161 WeakPolarHBondContact O-CG 3.38Å; T157-Q161 PolarHBondContact O-N 3.43Å; K158-Q161 PolarHBondContact O-N 3.26Å; Q161-Y163 VanDerWaalsContact C-N 3.35Å; Q161-Y163 PolarHBondContact O-N 3.43Å; Q161-R164 PolarHBondContact O-N 3.33Å; Q161-L165 WeakPolarHBondContact O-CB 3.49Å; Q161-L165 WeakPolarHBondContact O-CG 3.37Å; Q161-L165 PolarHBondContact O-N 2.91Å |
| 162 | A | 86 | Confident | 86.9 | Confident | 3 Ų | 3 | 91.6 Ų | 91.6 | 3% | 0.025 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -60.3 | -43.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | K158 A159 R164 L165 H166 L192 L193 V196 | K158-A162 WeakPolarHBondContact O-CB 3.24Å; K158-A162 PolarHBondContact O-N 3.24Å; A159-A162 PolarHBondContact O-N 3.47Å; A162-R164 PolarHBondContact O-N 2.85Å; A162-L165 CarbonylContact O-C 3.47Å; A162-L165 PolarHBondContact O-N 3.26Å; A162-H166 WeakPolarHBondContact O-CA 3.09Å; A162-H166 PolarHBondContact O-N 3.39Å; A162-L192 HydrophobicContact CB-CB 4.34Å; A162-L193 HydrophobicContact CB-CD2 4.04Å; A162-L193 HydrophobicContact CB-CG 4.43Å; A162-L193 WeakPolarHBondContact O-CD2 3.46Å; A162-V196 HydrophobicContact CB-CG2 4.21Å |
| 163 | Y | 84.6 | Confident | 86.2 | Confident | 79 Ų | 79 | 99 Ų | 99 | 31% | 0.31 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -57.8 | -47.7 | 174.3 | 177.8 | -97 | 0 | 0 | 0 | 112.3 | A159 Y160 Q161 L165 H166 V196 Q199 | A159-Y163 PolarHBondContact O-N 2.9Å; Y160-Y163 PolarHBondContact O-N 2.84Å; Q161-Y163 VanDerWaalsContact C-N 3.35Å; Q161-Y163 PolarHBondContact O-N 3.43Å; Y163-L165 VanDerWaalsContact C-N 3.33Å; Y163-L165 PolarHBondContact O-N 3.01Å; Y163-H166 WeakPolarHBondContact O-CB 3.48Å; Y163-H166 PolarHBondContact O-N 3.46Å; Y163-V196 HydrophobicContact CD2-CG1 4.19Å; Y163-Q199 HydrophobicContact CE2-CB 4.34Å; Y163-Q199 PolarHBondContact OH-O 3.2Å |
| 164 | R | 85.7 | Confident | 85.5 | Confident | 167 Ų | 167 | 98.3 Ų | 98.3 | 63% | 0.63 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -63.3 | -37.2 | 177.9 | -74.4 | -170.6 | 65.8 | -157.4 | -0.5 | 113.1 | Y160 Q161 A162 H167 | Y160-R164 HydrophobicContact CE1-CG 4.16Å; Y160-R164 HydrophobicContact CE2-CG 4.48Å; Y160-R164 PolarHBondContact O-N 3.26Å; Q161-R164 PolarHBondContact O-N 3.33Å; A162-R164 PolarHBondContact O-N 2.85Å; R164-H167 PolarHBondContact O-ND1 3.35Å |
| 165 | L | 87.2 | Confident | 84.9 | Confident | 67 Ų | 67 | 97 Ų | 97 | 35% | 0.351 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 10.8 | -176.6 | -60.1 | 177.5 | 0 | 0 | 0 | 113 | Q161 A162 Y163 H167 L168 F178 L193 | Q161-L165 WeakPolarHBondContact O-CB 3.49Å; Q161-L165 WeakPolarHBondContact O-CG 3.37Å; Q161-L165 PolarHBondContact O-N 2.91Å; A162-L165 CarbonylContact O-C 3.47Å; A162-L165 PolarHBondContact O-N 3.26Å; Y163-L165 VanDerWaalsContact C-N 3.33Å; Y163-L165 PolarHBondContact O-N 3.01Å; L165-H167 PolarHBondContact O-N 3.11Å; L165-L168 HydrophobicContact CB-CD1 4.29Å; L165-L168 HydrophobicContact CD2-CD1 4.08Å; L165-L168 WeakPolarHBondContact O-CB 3.38Å; L165-L168 PolarHBondContact O-N 3.43Å; L165-F178 HydrophobicContact CD1-CZ 4.17Å; L165-L193 HydrophobicContact CB-CD2 4.43Å |
| 166 | H | 85.1 | Confident | 84.6 | Confident | 34 Ų | 34 | 91 Ų | 91 | 16% | 0.157 | 44% | 0.438 | C | S | . | . | G | 310 helix | trans | -54.4 | -31.5 | -175.2 | -174.4 | -66.4 | 0 | 0 | 0 | 113.3 | A162 Y163 L168 I169 V196 Y198 | A162-H166 WeakPolarHBondContact O-CA 3.09Å; A162-H166 PolarHBondContact O-N 3.39Å; Y163-H166 WeakPolarHBondContact O-CB 3.48Å; Y163-H166 PolarHBondContact O-N 3.46Å; H166-L168 PolarHBondContact O-N 2.93Å; H166-I169 VanDerWaalsContact O-CB 3.29Å; H166-I169 WeakPolarHBondContact O-CB 3.42Å; H166-I169 WeakPolarHBondContact O-CG2 3.14Å; H166-I169 PolarHBondContact O-N 3.46Å; H166-V196 PolarHBondContact CD2-O 2.95Å; H166-V196 PolarHBondContact NE2-O 3.17Å; H166-Y198 HydrophobicContact CB-CD2 3.95Å; H166-Y198 AromaticContact CG-CD2 3.95Å; H166-Y198 PolarHBondContact NE2-N 3.04Å |
| 167 | H | 83.1 | Confident | 84.4 | Confident | 134 Ų | 134 | 89.5 Ų | 89.5 | 62% | 0.62 | 44% | 0.441 | S | S | * | . | G | 310 helix | trans | -64.2 | -17.1 | 177.7 | 64.5 | -82.3 | 0 | 0 | 0 | 114 | R164 L165 I169 | R164-H167 PolarHBondContact O-ND1 3.35Å; L165-H167 PolarHBondContact O-N 3.11Å; H167-I169 VanDerWaalsContact C-N 3.28Å |
| 168 | L | 86.2 | Confident | 84 | Confident | 46 Ų | 46 | 88.7 Ų | 88.7 | 24% | 0.241 | 43% | 0.431 | C | S | . | . | G | 310 helix | trans | -86.7 | 4.7 | 178.4 | -56.6 | -179.7 | 0 | 0 | 0 | 113.5 | L165 H166 G176 V177 F178 | L165-L168 HydrophobicContact CB-CD1 4.29Å; L165-L168 HydrophobicContact CD2-CD1 4.08Å; L165-L168 WeakPolarHBondContact O-CB 3.38Å; L165-L168 PolarHBondContact O-N 3.43Å; H166-L168 PolarHBondContact O-N 2.93Å; L168-G176 VanDerWaalsContact O-CA 3.25Å; L168-G176 WeakPolarHBondContact O-CA 3.29Å; L168-V177 HydrophobicContact CB-CG2 4.42Å; L168-V177 HydrophobicContact CD2-CG2 4.03Å; L168-V177 PolarHBondContact O-N 3.39Å; L168-F178 HydrophobicContact CB-CD2 4.39Å; L168-F178 HydrophobicContact CB-CE2 3.96Å; L168-F178 HydrophobicContact CD1-CE2 3.88Å; L168-F178 HydrophobicContact CD1-CZ 4.18Å |
| 169 | I | 87.3 | Confident | 83.7 | Confident | 36 Ų | 36 | 86.2 Ų | 86.2 | 19% | 0.185 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -67.6 | 147.6 | 179.7 | -161.3 | 172.8 | 0 | 0 | 0 | 112.1 | H166 H167 T171 L193 R194 | H166-I169 VanDerWaalsContact O-CB 3.29Å; H166-I169 WeakPolarHBondContact O-CB 3.42Å; H166-I169 WeakPolarHBondContact O-CG2 3.14Å; H166-I169 PolarHBondContact O-N 3.46Å; H167-I169 VanDerWaalsContact C-N 3.28Å; I169-T171 PolarHBondContact O-N 3.43Å; I169-L193 HydrophobicContact CB-CB 4.41Å; I169-L193 HydrophobicContact CD1-CB 4.07Å; I169-L193 HydrophobicContact CG1-CB 4.06Å; I169-R194 HydrophobicContact CD1-CG 3.99Å; I169-R194 HydrophobicContact CG1-CG 4.44Å |
| 170 | S | 84.7 | Confident | 83.4 | Confident | 28 Ų | 28 | 86.4 Ų | 86.4 | 20% | 0.196 | 42% | 0.421 | C | S | . | . | trans | -60.3 | 136.6 | 174.3 | -55.9 | 0 | 0 | 0 | 0 | 112.1 | G176 E190 | S170-G176 VanDerWaalsContact CA-N 3.28Å; S170-G176 PolarHBondContact OG-N 2.95Å; S170-E190 WeakPolarHBondContact CB-OE1 3.25Å; S170-E190 PolarHBondContact N-OE1 2.89Å; S170-E190 PolarHBondContact OG-OE1 3.43Å | ||
| 171 | T | 80.9 | Confident | 82.8 | Confident | 88 Ų | 88 | 85.1 Ų | 85.1 | 54% | 0.54 | 43% | 0.43 | S | S | . | . | trans | -105.3 | 168.9 | 171.7 | 64.6 | 0 | 0 | 0 | 0 | 110.1 | I169 K173 L174 | I169-T171 PolarHBondContact O-N 3.43Å; T171-K173 PolarHBondContact O-N 3.34Å; T171-L174 PolarHBondContact N-O 2.96Å; T171-L174 PolarHBondContact O-N 3.07Å; T171-L174 VanDerWaalsContact O-O 3.13Å; T171-L174 PolarHBondContact OG1-N 3.08Å; T171-L174 PolarHBondContact OG1-O 3.37Å | ||
| 172 | K | 78.6 | Confident | 82.3 | Confident | 215 Ų | 215 | 90.4 Ų | 90.4 | 94% | 0.935 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -58.2 | -22.8 | 179.5 | -72.3 | -174.2 | 177.7 | -178.9 | 0 | 114.1 | ||
| 173 | K | 79.4 | Confident | 81.9 | Confident | 202 Ų | 202 | 96.2 Ų | 96.2 | 88% | 0.878 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -109.6 | -25.8 | -174.2 | -62.2 | -64.1 | -172.4 | 177.6 | 0 | 113 | T171 | T171-K173 PolarHBondContact O-N 3.34Š|
| 174 | L | 77.8 | Confident | 81.5 | Confident | 123 Ų | 123 | 102.2 Ų | 102.2 | 64% | 0.644 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -135.1 | 129 | -177.9 | -164.3 | 73.8 | 0 | 0 | 0 | 111 | T171 | T171-L174 PolarHBondContact N-O 2.96Å; T171-L174 PolarHBondContact O-N 3.07Å; T171-L174 VanDerWaalsContact O-O 3.13Å; T171-L174 PolarHBondContact OG1-N 3.08Å; T171-L174 PolarHBondContact OG1-O 3.37Å |
| 175 | P | 79.7 | Confident | 81 | Confident | 80 Ų | 80 | 99.2 Ų | 99.2 | 52% | 0.519 | 50% | 0.504 | S | S | . | . | trans | -66.7 | 141.4 | 173.9 | 28.8 | -33.4 | 0 | 0 | 0 | 110.8 | N179 | P175-N179 HydrophobicContact CB-CB 4.44Š| ||
| 176 | G | 82.1 | Confident | 80.7 | Confident | 8 Ų | 8 | 98 Ų | 98 | 8% | 0.082 | 50% | 0.5 | C | S | . | . | trans | -71.5 | 162.5 | -180 | 0 | 0 | 0 | 0 | 0 | 111.6 | L168 S170 F178 N179 | L168-G176 VanDerWaalsContact O-CA 3.25Å; L168-G176 WeakPolarHBondContact O-CA 3.29Å; S170-G176 VanDerWaalsContact CA-N 3.28Å; S170-G176 PolarHBondContact OG-N 2.95Å; G176-F178 PolarHBondContact O-N 2.94Å; G176-F178 VanDerWaalsContact O-N 3.09Å; G176-N179 PolarHBondContact O-N 3.39Å | ||
| 177 | V | 84.6 | Confident | 80.6 | Confident | 113 Ų | 113 | 100 Ų | 100 | 69% | 0.685 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -30.9 | -172.2 | 179.3 | 0 | 0 | 0 | 0 | 112.2 | L168 N179 | L168-V177 HydrophobicContact CB-CG2 4.42Å; L168-V177 HydrophobicContact CD2-CG2 4.03Å; L168-V177 PolarHBondContact O-N 3.39Å; V177-N179 VanDerWaalsContact C-N 3.32Å |
| 178 | F | 80.7 | Confident | 80.7 | Confident | 56 Ų | 56 | 100.4 Ų | 100.4 | 25% | 0.246 | 51% | 0.511 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -4.4 | -180 | -59 | -70.8 | 0 | 0 | 0 | 113.7 | L165 L168 G176 H187 M189 E190 L193 | L165-F178 HydrophobicContact CD1-CZ 4.17Å; L168-F178 HydrophobicContact CB-CD2 4.39Å; L168-F178 HydrophobicContact CB-CE2 3.96Å; L168-F178 HydrophobicContact CD1-CE2 3.88Å; L168-F178 HydrophobicContact CD1-CZ 4.18Å; G176-F178 PolarHBondContact O-N 2.94Å; G176-F178 VanDerWaalsContact O-N 3.09Å; F178-H187 HydrophobicContact CB-CB 4.41Å; F178-H187 WeakPolarHBondContact O-CB 3.38Å; F178-M189 HydrophobicContact CD1-CB 4.31Å; F178-M189 HydrophobicContact CG-CB 4.27Å; F178-E190 HydrophobicContact CB-CB 4.23Å; F178-L193 HydrophobicContact CD2-CD1 3.6Å; F178-L193 HydrophobicContact CE2-CD1 3.98Å |
| 179 | N | 82.5 | Confident | 80.6 | Confident | 41 Ų | 41 | 100.3 Ų | 100.3 | 22% | 0.219 | 51% | 0.51 | C | S | . | . | trans | -105.2 | 92.4 | 179.1 | -158.2 | 20.9 | 0 | 0 | 0 | 110.7 | P175 G176 V177 E190 | P175-N179 HydrophobicContact CB-CB 4.44Å; G176-N179 PolarHBondContact O-N 3.39Å; V177-N179 VanDerWaalsContact C-N 3.32Å; N179-E190 HydrophobicContact CB-CG 4.46Å | ||
| 180 | S | 79.9 | Confident | 80.4 | Confident | 48 Ų | 48 | 98.6 Ų | 98.6 | 34% | 0.336 | 50% | 0.501 | S | S | . | . | trans | -75.6 | 133.5 | -179.6 | -179.8 | 0 | 0 | 0 | 0 | 111.1 | Y182 K183 | S180-Y182 PolarHBondContact O-N 2.91Å; S180-K183 PolarHBondContact O-N 3.48Å | ||
| 181 | P | 75.4 | Confident | 80.5 | Confident | 117 Ų | 117 | 101.2 Ų | 101.2 | 76% | 0.76 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -12.3 | 179.7 | 25.3 | -33.4 | 0 | 0 | 0 | 113.9 | ||
| 182 | Y | 77.9 | Confident | 80.7 | Confident | 213 Ų | 213 | 99.4 Ų | 99.4 | 84% | 0.835 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -6.2 | 177.7 | -53.5 | -72.2 | 0 | 0 | 0 | 113.7 | S180 | S180-Y182 PolarHBondContact O-N 2.91Š|
| 183 | K | 76.4 | Confident | 81 | Confident | 126 Ų | 126 | 89.2 Ų | 89.2 | 55% | 0.548 | 46% | 0.455 | S | S | . | . | trans | -106.9 | 129.9 | 177 | -69.6 | -172.6 | 178.6 | -177.2 | 0 | 110.2 | S180 T185 | S180-K183 PolarHBondContact O-N 3.48Å; K183-T185 VanDerWaalsContact C-N 3.33Å | ||
| 184 | Q | 75.6 | Confident | 81.2 | Confident | 204 Ų | 204 | 86.1 Ų | 86.1 | 95% | 0.953 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -74.3 | -25.2 | 177.8 | -65.1 | 180 | 2.9 | 0 | 0 | 112.5 | ||
| 185 | T | 76.7 | Confident | 81.5 | Confident | 105 Ų | 105 | 87.2 Ų | 87.2 | 64% | 0.644 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -109.4 | 138.1 | 179 | 51 | 0 | 0 | 0 | 0 | 111.4 | K183 | K183-T185 VanDerWaalsContact C-N 3.33Š|
| 186 | P | 79.1 | Confident | 81.6 | Confident | 41 Ų | 41 | 85.1 Ų | 85.1 | 27% | 0.266 | 43% | 0.425 | S | S | . | . | trans | -59.4 | 142.1 | 174.7 | -21.9 | 32.2 | 0 | 0 | 0 | 111.6 | E190 L191 | P186-E190 HydrophobicContact CB-CB 4.23Å; P186-E190 HydrophobicContact CB-CG 4.2Å; P186-L191 HydrophobicContact CB-CD2 4.19Å; P186-L191 HydrophobicContact CB-CG 4.34Å; P186-L191 HydrophobicContact CG-CD2 4.46Å | ||
| 187 | H | 84.5 | Confident | 81.3 | Confident | 77 Ų | 77 | 95.3 Ų | 95.3 | 36% | 0.356 | 46% | 0.461 | S | S | . | . | trans | -61.9 | 144 | 175.3 | -172 | 1.1 | 0 | 0 | 0 | 110.8 | F178 M189 E190 L191 | F178-H187 HydrophobicContact CB-CB 4.41Å; F178-H187 WeakPolarHBondContact O-CB 3.38Å; H187-M189 PolarHBondContact O-N 2.88Å; H187-E190 WeakPolarHBondContact O-CA 3.48Å; H187-E190 VanDerWaalsContact O-CB 3.26Å; H187-E190 WeakPolarHBondContact O-CB 3.16Å; H187-E190 PolarHBondContact O-N 3.34Å; H187-L191 PolarHBondContact O-N 2.87Å; H187-L191 VanDerWaalsContact O-N 3.14Å | ||
| 188 | E | 85.2 | Confident | 80.5 | Confident | 142 Ų | 142 | 95.8 Ų | 95.8 | 66% | 0.664 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -41.2 | -39.1 | 173.7 | -63.7 | -179.1 | -176.8 | 0 | 0 | 114.6 | L191 L192 | E188-L191 PolarHBondContact O-N 2.82Å; E188-L192 PolarHBondContact O-N 3.48Å; E188-L192 VanDerWaalsContact O-N 3.11Å |
| 189 | M | 83.2 | Confident | 79.6 | Confident | 44 Ų | 44 | 99.7 Ų | 99.7 | 22% | 0.217 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -67.6 | -39.2 | 175.8 | -66.4 | -75.7 | 72.3 | 0 | 0 | 113.5 | F178 H187 L191 L192 L193 | F178-M189 HydrophobicContact CD1-CB 4.31Å; F178-M189 HydrophobicContact CG-CB 4.27Å; H187-M189 PolarHBondContact O-N 2.88Å; M189-L191 VanDerWaalsContact C-N 3.31Å; M189-L191 PolarHBondContact O-N 3.4Å; M189-L192 HydrophobicContact CE-CB 4.21Å; M189-L192 HydrophobicContact CE-CD1 3.19Å; M189-L192 HydrophobicContact CE-CG 4.24Å; M189-L192 PolarHBondContact O-N 2.91Å; M189-L193 WeakPolarHBondContact O-CB 3.45Å; M189-L193 WeakPolarHBondContact O-CG 3.37Å; M189-L193 PolarHBondContact O-N 2.91Å |
| 190 | E | 84.2 | Confident | 78.3 | Confident | 0 Ų | 0 | 103 Ų | 103 | 0% | 0 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -63.7 | -37.1 | 174.7 | -171.2 | 67.7 | -169.5 | 0 | 0 | 111.7 | S170 F178 N179 P186 H187 L193 R194 | S170-E190 WeakPolarHBondContact CB-OE1 3.25Å; S170-E190 PolarHBondContact N-OE1 2.89Å; S170-E190 PolarHBondContact OG-OE1 3.43Å; F178-E190 HydrophobicContact CB-CB 4.23Å; N179-E190 HydrophobicContact CB-CG 4.46Å; P186-E190 HydrophobicContact CB-CB 4.23Å; P186-E190 HydrophobicContact CB-CG 4.2Å; H187-E190 WeakPolarHBondContact O-CA 3.48Å; H187-E190 VanDerWaalsContact O-CB 3.26Å; H187-E190 WeakPolarHBondContact O-CB 3.16Å; H187-E190 PolarHBondContact O-N 3.34Å; E190-L193 PolarHBondContact O-N 3.44Å; E190-R194 WeakPolarHBondContact O-CG 3.4Å; E190-R194 PolarHBondContact O-N 2.93Å; E190-R194 VanDerWaalsContact O-N 3.16Å |
| 191 | L | 85.6 | Confident | 77.2 | Confident | 82 Ų | 82 | 105.1 Ų | 105.1 | 43% | 0.429 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.3 | -43.9 | 175.3 | -67.2 | 174.9 | 0 | 0 | 0 | 111.6 | P186 H187 E188 M189 R194 Q195 | P186-L191 HydrophobicContact CB-CD2 4.19Å; P186-L191 HydrophobicContact CB-CG 4.34Å; P186-L191 HydrophobicContact CG-CD2 4.46Å; H187-L191 PolarHBondContact O-N 2.87Å; H187-L191 VanDerWaalsContact O-N 3.14Å; E188-L191 PolarHBondContact O-N 2.82Å; M189-L191 VanDerWaalsContact C-N 3.31Å; M189-L191 PolarHBondContact O-N 3.4Å; L191-R194 PolarHBondContact O-N 3.44Å; L191-Q195 WeakPolarHBondContact O-CG 3.26Å; L191-Q195 PolarHBondContact O-N 3.46Å |
| 192 | L | 84.9 | Confident | 75.8 | Confident | 50 Ų | 50 | 104.8 Ų | 104.8 | 26% | 0.262 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.8 | -38.9 | 176.4 | -75.6 | 170.1 | 0 | 0 | 0 | 112 | K158 A162 E188 M189 R194 Q195 V196 | K158-L192 HydrophobicContact CB-CD1 4.37Å; A162-L192 HydrophobicContact CB-CB 4.34Å; E188-L192 PolarHBondContact O-N 3.48Å; E188-L192 VanDerWaalsContact O-N 3.11Å; M189-L192 HydrophobicContact CE-CB 4.21Å; M189-L192 HydrophobicContact CE-CD1 3.19Å; M189-L192 HydrophobicContact CE-CG 4.24Å; M189-L192 PolarHBondContact O-N 2.91Å; L192-R194 VanDerWaalsContact C-N 3.3Å; L192-R194 PolarHBondContact O-N 3.36Å; L192-Q195 PolarHBondContact O-N 3.29Å; L192-Q195 VanDerWaalsContact O-N 3.14Å; L192-V196 WeakPolarHBondContact O-CG2 3.13Å; L192-V196 PolarHBondContact O-N 2.93Å |
| 193 | L | 84.9 | Confident | 74.4 | Confident | 2 Ų | 2 | 100.3 Ų | 100.3 | 1% | 0.01 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -58.9 | -39.4 | 174.9 | -71.8 | 165.9 | 0 | 0 | 0 | 112.1 | A162 L165 I169 F178 M189 E190 Q195 | A162-L193 HydrophobicContact CB-CD2 4.04Å; A162-L193 HydrophobicContact CB-CG 4.43Å; A162-L193 WeakPolarHBondContact O-CD2 3.46Å; L165-L193 HydrophobicContact CB-CD2 4.43Å; I169-L193 HydrophobicContact CB-CB 4.41Å; I169-L193 HydrophobicContact CD1-CB 4.07Å; I169-L193 HydrophobicContact CG1-CB 4.06Å; F178-L193 HydrophobicContact CD2-CD1 3.6Å; F178-L193 HydrophobicContact CE2-CD1 3.98Å; M189-L193 WeakPolarHBondContact O-CB 3.45Å; M189-L193 WeakPolarHBondContact O-CG 3.37Å; M189-L193 PolarHBondContact O-N 2.91Å; E190-L193 PolarHBondContact O-N 3.44Å; L193-Q195 VanDerWaalsContact C-N 3.31Å; L193-Q195 PolarHBondContact O-N 2.93Å |
| 194 | R | 84.2 | Confident | 72.6 | Confident | 137 Ų | 137 | 101.9 Ų | 101.9 | 52% | 0.517 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.2 | -27.2 | 176.8 | -70.2 | 172.9 | -176 | -168.3 | 1.5 | 113.9 | I169 E190 L191 L192 | I169-R194 HydrophobicContact CD1-CG 3.99Å; I169-R194 HydrophobicContact CG1-CG 4.44Å; E190-R194 WeakPolarHBondContact O-CG 3.4Å; E190-R194 PolarHBondContact O-N 2.93Å; E190-R194 VanDerWaalsContact O-N 3.16Å; L191-R194 PolarHBondContact O-N 3.44Å; L192-R194 VanDerWaalsContact C-N 3.3Å; L192-R194 PolarHBondContact O-N 3.36Å |
| 195 | Q | 83.8 | Confident | 70.7 | Confident | 146 Ų | 146 | 96 Ų | 96 | 68% | 0.682 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -81.3 | -31.9 | -179.7 | -69.4 | 174.7 | 3.9 | 0 | 0 | 112.2 | L191 L192 L193 | L191-Q195 WeakPolarHBondContact O-CG 3.26Å; L191-Q195 PolarHBondContact O-N 3.46Å; L192-Q195 PolarHBondContact O-N 3.29Å; L192-Q195 VanDerWaalsContact O-N 3.14Å; L193-Q195 VanDerWaalsContact C-N 3.31Å; L193-Q195 PolarHBondContact O-N 2.93Å |
| 196 | V | 82.8 | Confident | 68.9 | Low | 36 Ų | 36 | 98.3 Ų | 98.3 | 22% | 0.218 | 50% | 0.501 | C | S | . | . | S | Bend | trans | -81.1 | 133.9 | 179.6 | 178.3 | 0 | 0 | 0 | 0 | 110.1 | A162 Y163 H166 L192 | A162-V196 HydrophobicContact CB-CG2 4.21Å; Y163-V196 HydrophobicContact CD2-CG1 4.19Å; H166-V196 PolarHBondContact CD2-O 2.95Å; H166-V196 PolarHBondContact NE2-O 3.17Å; L192-V196 WeakPolarHBondContact O-CG2 3.13Å; L192-V196 PolarHBondContact O-N 2.93Å |
| 197 | R | 74.2 | Confident | 67.1 | Low | 222 Ų | 222 | 108 Ų | 108 | 84% | 0.838 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -90 | 124.8 | 173.1 | -69.6 | -176.3 | 169.3 | -173.5 | -3.4 | 110.3 | Q199 | R197-Q199 PolarHBondContact O-N 2.9Š|
| 198 | Y | 68.9 | Low | 64.7 | Low | 123 Ų | 123 | 109.8 Ų | 109.8 | 48% | 0.482 | 55% | 0.545 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 133 | 172.2 | -173.8 | -108.8 | 0 | 0 | 0 | 111.6 | H166 V200 P201 | H166-Y198 HydrophobicContact CB-CD2 3.95Å; H166-Y198 AromaticContact CG-CD2 3.95Å; H166-Y198 PolarHBondContact NE2-N 3.04Å; Y198-V200 HydrophobicContact CE1-CG2 4.23Å; Y198-P201 WeakPolarHBondContact OH-CD 3.17Å |
| 199 | Q | 62.3 | Low | 62.3 | Low | 137 Ų | 137 | 109.5 Ų | 109.5 | 64% | 0.64 | 55% | 0.553 | S | S | * | * | trans | -117.7 | 137 | 167 | -67.4 | -177.5 | -3.6 | 0 | 0 | 107.7 | Y163 R197 | Y163-Q199 HydrophobicContact CE2-CB 4.34Å; Y163-Q199 PolarHBondContact OH-O 3.2Å; R197-Q199 PolarHBondContact O-N 2.9Å | ||
| 200 | V | 54.9 | Low | 59.8 | Low | 110 Ų | 110 | 110.5 Ų | 110.5 | 67% | 0.667 | 57% | 0.574 | S | S | * | * | trans | -63.1 | 130.1 | 175.9 | -179.1 | 0 | 0 | 0 | 0 | 107.8 | Y198 T202 | Y198-V200 HydrophobicContact CE1-CG2 4.23Å; V200-T202 PolarHBondContact O-N 3.34Å | ||
| 201 | P | 56.1 | Low | 57.5 | Low | 93 Ų | 93 | 115.7 Ų | 115.7 | 60% | 0.604 | 61% | 0.611 | S | S | * | * | trans | -59.9 | 101.1 | 174.9 | -20.1 | 31.1 | 0 | 0 | 0 | 109.1 | Y198 S203 | Y198-P201 WeakPolarHBondContact OH-CD 3.17Å; P201-S203 PolarHBondContact O-N 3.45Å | ||
| 202 | T | 47.2 | Very low | 55.2 | Low | 111 Ų | 111 | 119.8 Ų | 119.8 | 68% | 0.681 | 63% | 0.632 | S | S | * | * | trans | -70.1 | 118.7 | 164.7 | -57.5 | 0 | 0 | 0 | 0 | 105.3 | V200 M204 | V200-T202 PolarHBondContact O-N 3.34Å; T202-M204 VanDerWaalsContact C-N 3.33Å; T202-M204 PolarHBondContact O-N 3.19Å | ||
| 203 | S | 47 | Very low | 52.7 | Low | 118 Ų | 118 | 121 Ų | 121 | 83% | 0.825 | 66% | 0.656 | S | S | * | * | trans | -52.9 | 100.5 | 170.3 | -179.8 | 0 | 0 | 0 | 0 | 108.1 | P201 | P201-S203 PolarHBondContact O-N 3.45Š| ||
| 204 | M | 40 | Very low | 50.1 | Low | 160 Ų | 160 | 124.4 Ų | 124.4 | 79% | 0.788 | 69% | 0.692 | S | S | * | * | trans | -95.2 | 109.8 | 173.6 | -75.5 | -105.7 | 86.5 | 0 | 0 | 106.7 | T202 | T202-M204 VanDerWaalsContact C-N 3.33Å; T202-M204 PolarHBondContact O-N 3.19Å | ||
| 205 | A | 35.3 | Very low | 48 | Very low | 80 Ų | 80 | 125.5 Ų | 125.5 | 66% | 0.661 | 71% | 0.708 | S | S | * | * | trans | -48.2 | 157.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | R207 | A205-R207 PolarHBondContact O-N 3.45Š| ||
| 206 | H | 38.8 | Very low | 45.7 | Very low | 153 Ų | 153 | 122.9 Ų | 122.9 | 71% | 0.708 | 70% | 0.704 | S | S | * | * | trans | -24.9 | 121.5 | 152.5 | -141.6 | -97.1 | 0 | 0 | 0 | 111.9 | D208 | H206-D208 IonicContact CE1-OD1 3.4Å; H206-D208 PolarHBondContact CE1-OD1 3.35Å; H206-D208 IonicContact CE1-OD2 2.96Å; H206-D208 PolarHBondContact CE1-OD2 3.37Å; H206-D208 VanDerWaalsContact ND1-CG 3.26Å; H206-D208 IonicContact ND1-OD1 3.68Å; H206-D208 IonicContact ND1-OD2 2.86Å; H206-D208 PolarHBondContact ND1-OD2 3.14Å | ||
| 207 | R | 40.3 | Very low | 43.3 | Very low | 244 Ų | 244 | 128 Ų | 128 | 92% | 0.921 | 73% | 0.73 | S | S | * | * | trans | -116.4 | 89.5 | 158.1 | -83.6 | -162.7 | -175.9 | -165.1 | 2.4 | 109.3 | A205 | A205-R207 PolarHBondContact O-N 3.45Š| ||
| 208 | D | 34 | Very low | 41.7 | Very low | 116 Ų | 116 | 122.2 Ų | 122.2 | 62% | 0.62 | 72% | 0.724 | S | S | * | * | trans | -61.3 | 134 | 150.1 | -89.3 | -31.4 | 0 | 0 | 0 | 111.1 | H206 | H206-D208 IonicContact CE1-OD1 3.4Å; H206-D208 PolarHBondContact CE1-OD1 3.35Å; H206-D208 IonicContact CE1-OD2 2.96Å; H206-D208 PolarHBondContact CE1-OD2 3.37Å; H206-D208 VanDerWaalsContact ND1-CG 3.26Å; H206-D208 IonicContact ND1-OD1 3.68Å; H206-D208 IonicContact ND1-OD2 2.86Å; H206-D208 PolarHBondContact ND1-OD2 3.14Å | ||
| 209 | T | 35.1 | Very low | 40.1 | Very low | 136 Ų | 136 | 122.9 Ų | 122.9 | 83% | 0.834 | 74% | 0.741 | S | S | * | * | trans | 67.2 | 123.9 | 137.6 | -17.8 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 210 | G | 32.2 | Very low | 38.9 | Very low | 65 Ų | 65 | 119.4 Ų | 119.4 | 67% | 0.67 | 74% | 0.742 | S | S | * | * | 119.9 | 111.5 | 129.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 211 | S | 35.2 | Very low | 38.1 | Very low | 109 Ų | 109 | 122 Ų | 122 | 76% | 0.762 | 75% | 0.752 | S | S | * | * | 94.2 | 136.6 | 87.4 | -170.6 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 212 | L | 37.3 | Very low | 37.2 | Very low | 167 Ų | 167 | 123 Ų | 123 | 87% | 0.874 | 76% | 0.761 | S | S | * | * | cis | -171.3 | 158.1 | 6.6 | -133.7 | 148.8 | 0 | 0 | 0 | 107.8 | ||||
| 213 | G | 32.4 | Very low | 36.5 | Very low | 75 Ų | 75 | 127.2 Ų | 127.2 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | trans | 110.2 | 124 | 148.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 214 | G | 30.4 | Very low | 36.3 | Very low | 75 Ų | 75 | 127.3 Ų | 127.3 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | cis | 165.3 | 157 | 12.8 | 0 | 0 | 0 | 0 | 0 | 104 | ||||
| 215 | L | 39.3 | Very low | 36 | Very low | 160 Ų | 160 | 122.3 Ų | 122.3 | 84% | 0.838 | 76% | 0.76 | S | S | * | * | cis | -165.4 | 151.4 | 24.2 | -153.4 | 76.2 | 0 | 0 | 0 | 107.3 | ||||
| 216 | C | 36.1 | Very low | 36.4 | Very low | 90 Ų | 90 | 124.2 Ų | 124.2 | 61% | 0.608 | 77% | 0.768 | S | S | * | * | trans | 22.8 | 148.8 | 145.8 | 78 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 217 | D | 32.1 | Very low | 36.5 | Very low | 144 Ų | 144 | 123 Ų | 123 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | cis | -156.4 | 163.3 | 32.8 | -80.4 | -57.4 | 0 | 0 | 0 | 107 | ||||
| 218 | S | 41.9 | Very low | 36.2 | Very low | 101 Ų | 101 | 120.7 Ų | 120.7 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | cis | -174.7 | 147.5 | 35.3 | 20.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 219 | T | 34.5 | Very low | 36.5 | Very low | 136 Ų | 136 | 119.4 Ų | 119.4 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | trans | 57.2 | 100.7 | 140.3 | -42.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 220 | G | 37.7 | Very low | 36.8 | Very low | 65 Ų | 65 | 121.5 Ų | 121.5 | 67% | 0.67 | 77% | 0.774 | S | S | * | * | trans | -69.4 | 170.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 221 | L | 37.7 | Very low | 36.7 | Very low | 165 Ų | 165 | 129.6 Ų | 129.6 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | trans | -169.3 | 101.8 | 143.4 | -99.6 | 158.6 | 0 | 0 | 0 | 107.6 | ||||
| 222 | S | 36.8 | Very low | 36.8 | Very low | 113 Ų | 113 | 131 Ų | 131 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | trans | -68.4 | 122.5 | 159.9 | 30.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 223 | F | 32 | Very low | 36.6 | Very low | 200 Ų | 200 | 130.7 Ų | 130.7 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | trans | -94 | 98 | 174.2 | -146 | -91.7 | 0 | 0 | 0 | 108.4 | ||||
| 224 | S | 43.8 | Very low | 36.9 | Very low | 120 Ų | 120 | 131.3 Ų | 131.3 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | trans | -118.6 | 117 | 157.4 | 60.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 225 | G | 32.6 | Very low | 37.1 | Very low | 54 Ų | 54 | 134.1 Ų | 134.1 | 56% | 0.557 | 78% | 0.781 | S | S | * | * | trans | 169.2 | 99.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 226 | S | 44.8 | Very low | 37 | Very low | 120 Ų | 120 | 135.1 Ų | 135.1 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | trans | -53.4 | 146.4 | 171.7 | -150.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 227 | P | 39.9 | Very low | 37.2 | Very low | 129 Ų | 129 | 136.8 Ų | 136.8 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | trans | -110.4 | 113.1 | 164.5 | 30.8 | -17.1 | 0 | 0 | 0 | 111 | ||||
| 228 | Q | 34.4 | Very low | 37.6 | Very low | 195 Ų | 195 | 138.3 Ų | 138.3 | 91% | 0.911 | 79% | 0.789 | S | S | * | * | trans | -110.3 | 131 | 156.5 | -153.5 | 174 | 22.5 | 0 | 0 | 110.1 | ||||
| 229 | S | 40.2 | Very low | 37.5 | Very low | 89 Ų | 89 | 139.2 Ų | 139.2 | 62% | 0.622 | 78% | 0.782 | S | S | * | * | trans | 96 | 107.6 | 154.3 | -146.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 230 | Q | 42.4 | Very low | 37.9 | Very low | 180 Ų | 180 | 137.8 Ų | 137.8 | 84% | 0.841 | 78% | 0.777 | S | S | * | * | 55.9 | 102.3 | 129.6 | -63.5 | 175.5 | -11.6 | 0 | 0 | 118.7 | |||||
| 231 | R | 29.7 | Very low | 38.1 | Very low | 234 Ų | 234 | 143.8 Ų | 143.8 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | -143 | 122.8 | 127.1 | -145.3 | 176.2 | -72 | -176.6 | -1.7 | 109.9 | I233 | R231-I233 PolarHBondContact O-N 3.16Š| |||
| 232 | T | 36.3 | Very low | 38.7 | Very low | 138 Ų | 138 | 142 Ų | 142 | 85% | 0.847 | 78% | 0.776 | S | S | * | * | trans | -53.8 | 113.7 | 176.5 | 38.2 | 0 | 0 | 0 | 0 | 111.1 | S234 | T232-S234 PolarHBondContact O-N 2.91Å; T232-S234 VanDerWaalsContact O-N 3.13Å | ||
| 233 | I | 34.7 | Very low | 39.2 | Very low | 161 Ų | 161 | 147.9 Ų | 147.9 | 83% | 0.826 | 78% | 0.781 | S | S | * | * | trans | -75 | 103.7 | 166.5 | -62.6 | 173.3 | 0 | 0 | 0 | 106.4 | R231 T235 | R231-I233 PolarHBondContact O-N 3.16Å; I233-T235 PolarHBondContact O-N 3.46Å | ||
| 234 | S | 36.9 | Very low | 40.3 | Very low | 89 Ų | 89 | 142.2 Ų | 142.2 | 62% | 0.622 | 76% | 0.759 | S | S | * | * | trans | -52.3 | 117.3 | 165.8 | -177.5 | 0 | 0 | 0 | 0 | 109.1 | T232 K236 | T232-S234 PolarHBondContact O-N 2.91Å; T232-S234 VanDerWaalsContact O-N 3.13Å; S234-K236 PolarHBondContact O-N 3.3Å | ||
| 235 | T | 36.2 | Very low | 40.6 | Very low | 134 Ų | 134 | 141.7 Ų | 141.7 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | trans | -69.2 | 69.1 | 163.6 | 43 | 0 | 0 | 0 | 0 | 109.4 | I233 | I233-T235 PolarHBondContact O-N 3.46Š| ||
| 236 | K | 37.2 | Very low | 41.6 | Very low | 180 Ų | 180 | 145 Ų | 145 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | trans | -101.6 | 78.2 | 155.4 | -87.5 | -175.4 | 177 | 176.2 | 0 | 107.6 | S234 Q238 | S234-K236 PolarHBondContact O-N 3.3Å; K236-Q238 PolarHBondContact O-N 3.11Å | ||
| 237 | T | 38.7 | Very low | 42 | Very low | 125 Ų | 125 | 146.4 Ų | 146.4 | 77% | 0.767 | 76% | 0.761 | S | S | * | * | trans | -54.6 | 93.5 | 146.4 | -52.4 | 0 | 0 | 0 | 0 | 105.7 | E239 | T237-E239 PolarHBondContact O-N 3.45Š| ||
| 238 | Q | 40.9 | Very low | 42.3 | Very low | 176 Ų | 176 | 144.8 Ų | 144.8 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | trans | -66 | 89.3 | 166.9 | -177.5 | 171.2 | -32 | 0 | 0 | 105.2 | K236 S240 | K236-Q238 PolarHBondContact O-N 3.11Å; Q238-S240 VanDerWaalsContact C-N 3.28Å; Q238-S240 PolarHBondContact O-N 3.27Å | ||
| 239 | E | 39.4 | Very low | 42.9 | Very low | 121 Ų | 121 | 141.3 Ų | 141.3 | 57% | 0.565 | 75% | 0.751 | S | S | * | * | trans | -53 | 102.4 | 162.4 | -68.8 | -175.5 | 169.2 | 0 | 0 | 105.9 | T237 R241 | T237-E239 PolarHBondContact O-N 3.45Å; E239-R241 HydrophobicContact CB-CG 4.08Å; E239-R241 PolarHBondContact O-N 3.33Å; E239-R241 IonicContact OE2-CZ 3.39Å; E239-R241 VanDerWaalsContact OE2-CZ 3.23Å; E239-R241 IonicContact OE2-NE 3.86Å; E239-R241 PolarHBondContact OE2-NE 3.4Å; E239-R241 IonicContact OE2-NH2 2.92Å; E239-R241 PolarHBondContact OE2-NH2 3.48Å | ||
| 240 | S | 43 | Very low | 43.2 | Very low | 106 Ų | 106 | 147 Ų | 147 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | trans | -65.9 | 70.2 | 157.8 | 55.4 | 0 | 0 | 0 | 0 | 106.9 | Q238 T242 | Q238-S240 VanDerWaalsContact C-N 3.28Å; Q238-S240 PolarHBondContact O-N 3.27Å; S240-T242 VanDerWaalsContact C-N 3.28Å; S240-T242 PolarHBondContact O-N 3.14Å | ||
| 241 | R | 42.5 | Very low | 43.3 | Very low | 190 Ų | 190 | 147.7 Ų | 147.7 | 72% | 0.717 | 77% | 0.765 | S | S | * | * | trans | -58.4 | 103.6 | 158.5 | -71.5 | -175.6 | -177.1 | 179.7 | 0.5 | 104.1 | E239 R243 | E239-R241 HydrophobicContact CB-CG 4.08Å; E239-R241 PolarHBondContact O-N 3.33Å; E239-R241 IonicContact OE2-CZ 3.39Å; E239-R241 VanDerWaalsContact OE2-CZ 3.23Å; E239-R241 IonicContact OE2-NE 3.86Å; E239-R241 PolarHBondContact OE2-NE 3.4Å; E239-R241 IonicContact OE2-NH2 2.92Å; E239-R241 PolarHBondContact OE2-NH2 3.48Å; R241-R243 PolarHBondContact O-N 2.8Å | ||
| 242 | T | 49.5 | Very low | 44 | Very low | 128 Ų | 128 | 139.7 Ų | 139.7 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | trans | -54.9 | 90 | 160 | 43.1 | 0 | 0 | 0 | 0 | 106.7 | S240 L244 | S240-T242 VanDerWaalsContact C-N 3.28Å; S240-T242 PolarHBondContact O-N 3.14Å; T242-L244 PolarHBondContact O-N 3Å | ||
| 243 | R | 47.5 | Very low | 44.4 | Very low | 236 Ų | 236 | 142.7 Ų | 142.7 | 89% | 0.891 | 76% | 0.756 | S | S | * | * | trans | -62.6 | 109.9 | 169.7 | -74.8 | -172.7 | -165.8 | -141.4 | 4 | 105.2 | R241 | R241-R243 PolarHBondContact O-N 2.8Š| ||
| 244 | L | 55.8 | Low | 44.7 | Very low | 81 Ų | 81 | 143.8 Ų | 143.8 | 42% | 0.424 | 76% | 0.76 | S | S | . | * | P | Polyproline II helix | trans | -56.4 | 143.8 | 167.1 | -69 | 169.2 | 0 | 0 | 0 | 108.5 | R103 T242 | R103-L244 HydrophobicContact CG-CD1 3.89Å; T242-L244 PolarHBondContact O-N 3Å |
| 245 | P | 50.8 | Low | 45.2 | Very low | 110 Ų | 110 | 145.7 Ų | 145.7 | 71% | 0.714 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 145.1 | 177.7 | 25.3 | -32.6 | 0 | 0 | 0 | 109.8 | I247 | P245-I247 PolarHBondContact O-N 3.06Š|
| 246 | P | 52.4 | Low | 45.5 | Very low | 124 Ų | 124 | 148.3 Ų | 148.3 | 81% | 0.805 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 136 | 178.4 | 13.6 | -11.2 | 0 | 0 | 0 | 109.5 | A248 | P246-A248 PolarHBondContact O-N 3.47Š|
| 247 | I | 53.6 | Low | 45.9 | Very low | 149 Ų | 149 | 144.2 Ų | 144.2 | 76% | 0.764 | 77% | 0.771 | S | S | * | * | trans | -60.4 | 112.5 | 168.5 | -63.5 | 167.9 | 0 | 0 | 0 | 106.1 | P245 T249 | P245-I247 PolarHBondContact O-N 3.06Å; I247-T249 PolarHBondContact O-N 2.9Å | ||
| 248 | A | 47.1 | Very low | 46.3 | Very low | 95 Ų | 95 | 143.8 Ų | 143.8 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | trans | -58.4 | 105.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | P246 K250 | P246-A248 PolarHBondContact O-N 3.47Å; A248-K250 PolarHBondContact O-N 2.57Å; A248-K250 VanDerWaalsContact O-N 3.13Å | ||
| 249 | T | 45.6 | Very low | 46.7 | Very low | 121 Ų | 121 | 144.1 Ų | 144.1 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | trans | -73.3 | 104.4 | 166.6 | 46.5 | 0 | 0 | 0 | 0 | 106.7 | I247 K251 | I247-T249 PolarHBondContact O-N 2.9Å; T249-K251 VanDerWaalsContact C-N 3.28Å; T249-K251 PolarHBondContact O-N 2.86Å | ||
| 250 | K | 46.8 | Very low | 47.1 | Very low | 210 Ų | 210 | 145.3 Ų | 145.3 | 91% | 0.913 | 78% | 0.779 | S | S | * | * | trans | -59.3 | 96.1 | 168.9 | -154.3 | 177.4 | -172.9 | -178.6 | 0 | 106.6 | A248 G252 | A248-K250 PolarHBondContact O-N 2.57Å; A248-K250 VanDerWaalsContact O-N 3.13Å; K250-G252 VanDerWaalsContact C-N 3.28Å; K250-G252 PolarHBondContact O-N 2.84Å | ||
| 251 | K | 45.4 | Very low | 47.4 | Very low | 193 Ų | 193 | 155.6 Ų | 155.6 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | trans | -63.6 | 93.3 | 171 | -78.2 | -175.3 | 178.1 | 179.8 | 0 | 107.1 | T249 K253 | T249-K251 VanDerWaalsContact C-N 3.28Å; T249-K251 PolarHBondContact O-N 2.86Å; K251-K253 PolarHBondContact O-N 3.22Å | ||
| 252 | G | 43.5 | Very low | 47.6 | Very low | 66 Ų | 66 | 153.9 Ų | 153.9 | 68% | 0.68 | 81% | 0.806 | S | S | * | * | trans | -61.3 | 114.9 | 163 | 0 | 0 | 0 | 0 | 0 | 107.9 | K250 M254 | K250-G252 VanDerWaalsContact C-N 3.28Å; K250-G252 PolarHBondContact O-N 2.84Å; G252-M254 VanDerWaalsContact C-N 3.35Å; G252-M254 PolarHBondContact O-N 3.24Å | ||
| 253 | K | 44.1 | Very low | 47.5 | Very low | 201 Ų | 201 | 155.3 Ų | 155.3 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | -61 | 98.9 | 163.1 | -77.1 | 176.5 | 173.7 | 179.4 | 0 | 106.9 | K251 T255 | K251-K253 PolarHBondContact O-N 3.22Å; K253-T255 PolarHBondContact O-N 2.9Å | ||
| 254 | M | 42.1 | Very low | 47.5 | Very low | 184 Ų | 184 | 150.8 Ų | 150.8 | 91% | 0.906 | 80% | 0.803 | S | S | * | * | trans | -78.8 | 102.6 | 158.1 | -80.6 | -173.6 | 90.5 | 0 | 0 | 106.7 | G252 Q256 | G252-M254 VanDerWaalsContact C-N 3.35Å; G252-M254 PolarHBondContact O-N 3.24Å; M254-Q256 PolarHBondContact O-N 3.09Å | ||
| 255 | T | 46.3 | Very low | 47 | Very low | 129 Ų | 129 | 154.9 Ų | 154.9 | 79% | 0.791 | 83% | 0.825 | S | S | * | * | trans | -54 | 123.4 | 164.8 | 38.2 | 0 | 0 | 0 | 0 | 109.6 | K253 A257 | K253-T255 PolarHBondContact O-N 2.9Å; T255-A257 PolarHBondContact O-N 3.02Å | ||
| 256 | Q | 44.2 | Very low | 46.8 | Very low | 190 Ų | 190 | 157.7 Ų | 157.7 | 89% | 0.888 | 83% | 0.832 | S | S | * | * | trans | -63.3 | 110.9 | 163.9 | -76.6 | 175.5 | -10.3 | 0 | 0 | 108.1 | M254 | M254-Q256 PolarHBondContact O-N 3.09Š| ||
| 257 | A | 44.9 | Very low | 46.4 | Very low | 94 Ų | 94 | 159.9 Ų | 159.9 | 78% | 0.777 | 83% | 0.834 | S | S | * | * | trans | -91.4 | 107.5 | 161.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | T255 H259 | T255-A257 PolarHBondContact O-N 3.02Å; A257-H259 PolarHBondContact O-N 3.04Å | ||
| 258 | V | 47.3 | Very low | 45.9 | Very low | 115 Ų | 115 | 160.7 Ų | 160.7 | 70% | 0.697 | 84% | 0.839 | S | S | * | * | trans | -56.9 | 124.6 | 164 | 173.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 259 | H | 49 | Very low | 45.8 | Very low | 183 Ų | 183 | 165.8 Ų | 165.8 | 85% | 0.847 | 84% | 0.843 | S | S | * | * | trans | -133.1 | 102 | 158 | -114.1 | 52.8 | 0 | 0 | 0 | 108.6 | A257 | A257-H259 PolarHBondContact O-N 3.04Š| ||
| 260 | N | 48.4 | Very low | 45.9 | Very low | 147 Ų | 147 | 169.5 Ų | 169.5 | 79% | 0.786 | 85% | 0.851 | S | S | * | * | trans | -66.7 | 123.2 | 157.2 | -84.3 | -20.4 | 0 | 0 | 0 | 108.2 | ||||
| 261 | R | 48.5 | Very low | 45.8 | Very low | 322 Ų | 322 | 165.8 Ų | 165.8 | 100% | 1.215 | 85% | 0.846 | S | S | * | * | trans | -165.1 | 0 | 140.9 | -104.3 | 178.4 | -166.7 | -162.1 | 3.6 | 108.8 |
Retrieved 261 of 261 residues in 100.4 ms
(Link to these results)