| 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 | 40.8 | Very low | 62.1 | Low | 232 Ų | 232 | 153.8 Ų | 153.8 | 100% | 1.143 | 76% | 0.758 | S | S | * | * | 0 | 108.2 | 0 | -82.8 | 177.7 | 170.7 | 0 | 0 | 108 | |||||
| 2 | T | 39.3 | Very low | 64.2 | Low | 132 Ų | 132 | 150.2 Ų | 150.2 | 81% | 0.81 | 74% | 0.737 | S | S | * | * | trans | -113.5 | 97 | -178.2 | -42.2 | 0 | 0 | 0 | 0 | 107.5 | L4 | T2-L4 PolarHBondContact O-N 2.97Š| ||
| 3 | F | 43.7 | Very low | 66.3 | Low | 190 Ų | 190 | 145.3 Ų | 145.3 | 83% | 0.833 | 71% | 0.712 | S | S | * | * | trans | -75 | 87.5 | -179.4 | -110.8 | -89.6 | 0 | 0 | 0 | 109.9 | L5 | F3-L5 PolarHBondContact O-N 3.22Š| ||
| 4 | L | 47.4 | Very low | 68.2 | Low | 155 Ų | 155 | 146.5 Ų | 146.5 | 81% | 0.812 | 71% | 0.711 | S | S | * | * | trans | -76.9 | 96.1 | 166.1 | -85.3 | 161.1 | 0 | 0 | 0 | 108.6 | T2 Q6 | T2-L4 PolarHBondContact O-N 2.97Å; L4-Q6 PolarHBondContact O-N 3.07Å | ||
| 5 | L | 54.8 | Low | 69.8 | Low | 153 Ų | 153 | 141.6 Ų | 141.6 | 80% | 0.801 | 69% | 0.687 | S | S | * | * | trans | -61.5 | 113.5 | 170.5 | -88.5 | 153.1 | 0 | 0 | 0 | 109.8 | F3 I7 | F3-L5 PolarHBondContact O-N 3.22Å; L5-I7 PolarHBondContact O-N 3.2Å | ||
| 6 | Q | 56.2 | Low | 71.3 | Confident | 191 Ų | 191 | 139.8 Ų | 139.8 | 89% | 0.893 | 67% | 0.674 | S | S | * | * | trans | -71.2 | 97.7 | 168 | -80 | 179.2 | -50.6 | 0 | 0 | 109.3 | L4 T8 | L4-Q6 PolarHBondContact O-N 3.07Å; Q6-T8 PolarHBondContact O-N 2.85Å | ||
| 7 | I | 69.2 | Low | 72.7 | Confident | 120 Ų | 120 | 138 Ų | 138 | 62% | 0.615 | 67% | 0.668 | S | S | * | * | trans | -61 | 130.1 | 167.8 | -60 | 173.5 | 0 | 0 | 0 | 108.1 | L5 E11 H12 | L5-I7 PolarHBondContact O-N 3.2Å; I7-E11 HydrophobicContact CG2-CB 3.69Å; I7-H12 HydrophobicContact CG2-CB 4.27Å | ||
| 8 | T | 77.1 | Confident | 74 | Confident | 73 Ų | 73 | 138.4 Ų | 138.4 | 45% | 0.448 | 66% | 0.662 | S | S | . | * | trans | -69.5 | 155.4 | 177.4 | 63.1 | 0 | 0 | 0 | 0 | 111.1 | Q6 D10 E11 H12 | Q6-T8 PolarHBondContact O-N 2.85Å; T8-D10 PolarHBondContact O-N 3.13Å; T8-D10 VanDerWaalsContact O-N 3.16Å; T8-E11 WeakPolarHBondContact CB-OE2 3.36Å; T8-E11 PolarHBondContact N-OE2 2.92Å; T8-E11 PolarHBondContact O-N 3.16Å; T8-E11 WeakPolarHBondContact OG1-CG 3.45Å; T8-E11 PolarHBondContact OG1-N 2.92Å; T8-E11 PolarHBondContact OG1-OE2 3.25Å; T8-H12 PolarHBondContact O-N 2.87Å | ||
| 9 | R | 82.4 | Confident | 75.2 | Confident | 210 Ų | 210 | 138.4 Ų | 138.4 | 79% | 0.792 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -57 | -34.7 | -179 | -162.5 | -179.1 | -163.7 | 176.3 | 4.5 | 112.1 | Q13 | R9-Q13 WeakPolarHBondContact O-CG 3.35Å; R9-Q13 PolarHBondContact O-N 3.36Å; R9-Q13 VanDerWaalsContact O-N 3.08Å |
| 10 | D | 85.7 | Confident | 76.2 | Confident | 130 Ų | 130 | 137 Ų | 137 | 70% | 0.695 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -76.8 | -39.1 | -177.4 | -60.2 | -23.9 | 0 | 0 | 0 | 112.1 | T8 H12 Q13 K14 | T8-D10 PolarHBondContact O-N 3.13Å; T8-D10 VanDerWaalsContact O-N 3.16Å; D10-H12 VanDerWaalsContact C-N 3.32Å; D10-H12 PolarHBondContact O-N 3.45Å; D10-Q13 PolarHBondContact O-N 3.2Å; D10-K14 WeakPolarHBondContact O-CB 3.35Å; D10-K14 PolarHBondContact O-N 2.94Å |
| 11 | E | 87 | Confident | 77.2 | Confident | 106 Ų | 106 | 138.6 Ų | 138.6 | 50% | 0.495 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -60.1 | -43.2 | 170.3 | -73.5 | 166.7 | 134.8 | 0 | 0 | 111.2 | I7 T8 Q13 K14 E15 | I7-E11 HydrophobicContact CG2-CB 3.69Å; T8-E11 WeakPolarHBondContact CB-OE2 3.36Å; T8-E11 PolarHBondContact N-OE2 2.92Å; T8-E11 PolarHBondContact O-N 3.16Å; T8-E11 WeakPolarHBondContact OG1-CG 3.45Å; T8-E11 PolarHBondContact OG1-N 2.92Å; T8-E11 PolarHBondContact OG1-OE2 3.25Å; E11-Q13 PolarHBondContact O-N 3.1Å; E11-K14 PolarHBondContact O-N 3.43Å; E11-E15 WeakPolarHBondContact O-CB 3.32Å; E11-E15 PolarHBondContact O-N 3.21Å |
| 12 | H | 87.1 | Confident | 79.9 | Confident | 110 Ų | 110 | 131.4 Ų | 131.4 | 51% | 0.509 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -62.6 | -40.9 | 176.3 | -176.7 | 73.5 | 0 | 0 | 0 | 112.4 | I7 T8 D10 K16 | I7-H12 HydrophobicContact CG2-CB 4.27Å; T8-H12 PolarHBondContact O-N 2.87Å; D10-H12 VanDerWaalsContact C-N 3.32Å; D10-H12 PolarHBondContact O-N 3.45Å; H12-K16 VanDerWaalsContact O-CB 3.25Å; H12-K16 WeakPolarHBondContact O-CB 3.43Å; H12-K16 PolarHBondContact O-N 2.98Å |
| 13 | Q | 91.8 | Very high | 82.6 | Confident | 87 Ų | 87 | 129.3 Ų | 129.3 | 41% | 0.407 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -68.1 | -40.9 | 175.1 | -70.2 | -64.9 | -14.2 | 0 | 0 | 112.6 | R9 D10 E11 K16 L17 | R9-Q13 WeakPolarHBondContact O-CG 3.35Å; R9-Q13 PolarHBondContact O-N 3.36Å; R9-Q13 VanDerWaalsContact O-N 3.08Å; D10-Q13 PolarHBondContact O-N 3.2Å; E11-Q13 PolarHBondContact O-N 3.1Å; Q13-K16 PolarHBondContact O-N 3.01Å; Q13-L17 WeakPolarHBondContact O-CG 3.26Å; Q13-L17 PolarHBondContact O-N 3.3Å |
| 14 | K | 92.9 | Very high | 85.1 | Confident | 162 Ų | 162 | 122.9 Ų | 122.9 | 70% | 0.704 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -61.9 | -44 | 176.6 | -174.3 | 179.1 | -179.2 | -178.8 | 0 | 111.3 | D10 E11 L17 R18 | D10-K14 WeakPolarHBondContact O-CB 3.35Å; D10-K14 PolarHBondContact O-N 2.94Å; E11-K14 PolarHBondContact O-N 3.43Å; K14-L17 PolarHBondContact O-N 3.49Å; K14-R18 WeakPolarHBondContact O-CB 3.4Å; K14-R18 PolarHBondContact O-N 3.44Å |
| 15 | E | 91.5 | Very high | 87.5 | Confident | 73 Ų | 73 | 118.5 Ų | 118.5 | 34% | 0.341 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -69.1 | -39.4 | 177.4 | -168 | 57.5 | -159.5 | 0 | 0 | 111.3 | E11 L17 R18 W19 | E11-E15 WeakPolarHBondContact O-CB 3.32Å; E11-E15 PolarHBondContact O-N 3.21Å; E15-L17 PolarHBondContact O-N 2.86Å; E15-R18 WeakPolarHBondContact O-CB 3.48Å; E15-R18 PolarHBondContact O-N 3.25Å; E15-R18 IonicContact OE1-CZ 3.79Å; E15-R18 IonicContact OE1-NH1 2.69Å; E15-R18 PolarHBondContact OE1-NH1 2.72Å; E15-R18 WeakPolarHBondContact OE2-CD 3.46Å; E15-R18 IonicContact OE2-NH1 3.78Å; E15-W19 PolarHBondContact O-N 2.77Å; E15-W19 PolarHBondContact OE1-NE1 2.66Å |
| 16 | K | 93.3 | Very high | 89.5 | Confident | 113 Ų | 113 | 115.5 Ų | 115.5 | 49% | 0.491 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -57.7 | -46.5 | 171.7 | -178 | -175.1 | 175.9 | -172.6 | 0 | 112.2 | H12 Q13 W19 Q20 | H12-K16 VanDerWaalsContact O-CB 3.25Å; H12-K16 WeakPolarHBondContact O-CB 3.43Å; H12-K16 PolarHBondContact O-N 2.98Å; Q13-K16 PolarHBondContact O-N 3.01Å; K16-W19 PolarHBondContact O-N 3.46Å; K16-Q20 WeakPolarHBondContact O-CB 3.46Å; K16-Q20 PolarHBondContact O-N 3.12Å |
| 17 | L | 95.2 | Very high | 91.4 | Very high | 109 Ų | 109 | 110.8 Ų | 110.8 | 57% | 0.571 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.1 | -39.9 | 176.5 | -75.3 | 168.6 | 0 | 0 | 0 | 112 | Q13 K14 E15 Q20 Y21 | Q13-L17 WeakPolarHBondContact O-CG 3.26Å; Q13-L17 PolarHBondContact O-N 3.3Å; K14-L17 PolarHBondContact O-N 3.49Å; E15-L17 PolarHBondContact O-N 2.86Å; L17-Q20 PolarHBondContact O-N 2.85Å; L17-Y21 PolarHBondContact O-N 3.02Å |
| 18 | R | 96.8 | Very high | 92.7 | Very high | 145 Ų | 145 | 107.2 Ų | 107.2 | 55% | 0.547 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.5 | -47.1 | 173.7 | 177.7 | -174.5 | 173.1 | -101.1 | -6 | 111.7 | K14 E15 K22 | K14-R18 WeakPolarHBondContact O-CB 3.4Å; K14-R18 PolarHBondContact O-N 3.44Å; E15-R18 WeakPolarHBondContact O-CB 3.48Å; E15-R18 PolarHBondContact O-N 3.25Å; E15-R18 IonicContact OE1-CZ 3.79Å; E15-R18 IonicContact OE1-NH1 2.69Å; E15-R18 PolarHBondContact OE1-NH1 2.72Å; E15-R18 WeakPolarHBondContact OE2-CD 3.46Å; E15-R18 IonicContact OE2-NH1 3.78Å; R18-K22 WeakPolarHBondContact O-CB 3.44Å; R18-K22 PolarHBondContact O-N 2.83Å |
| 19 | W | 96.4 | Very high | 93.6 | Very high | 138 Ų | 138 | 107.6 Ų | 107.6 | 52% | 0.523 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.3 | -40.4 | 176.2 | -76.1 | 110 | 0 | 0 | 0 | 112.4 | E15 K16 Y21 K22 I23 | E15-W19 PolarHBondContact O-N 2.77Å; E15-W19 PolarHBondContact OE1-NE1 2.66Å; K16-W19 PolarHBondContact O-N 3.46Å; W19-Y21 PolarHBondContact O-N 3.22Å; W19-K22 PolarHBondContact O-N 3.45Å; W19-I23 WeakPolarHBondContact O-CB 3.39Å; W19-I23 VanDerWaalsContact O-CG1 3.27Å; W19-I23 WeakPolarHBondContact O-CG1 3.21Å; W19-I23 PolarHBondContact O-N 2.93Å |
| 20 | Q | 96 | Very high | 94.3 | Very high | 111 Ų | 111 | 102.2 Ų | 102.2 | 52% | 0.519 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.6 | -46.4 | 176.4 | -172.4 | 173.5 | 1.4 | 0 | 0 | 111.5 | K16 L17 K22 I23 S24 | K16-Q20 WeakPolarHBondContact O-CB 3.46Å; K16-Q20 PolarHBondContact O-N 3.12Å; L17-Q20 PolarHBondContact O-N 2.85Å; Q20-K22 VanDerWaalsContact C-N 3.34Å; Q20-K22 PolarHBondContact O-N 2.97Å; Q20-I23 PolarHBondContact O-N 3.02Å; Q20-S24 PolarHBondContact O-N 2.66Å; Q20-S24 PolarHBondContact O-OG 3.42Å |
| 21 | Y | 96.5 | Very high | 94.8 | Very high | 170 Ų | 170 | 103 Ų | 103 | 67% | 0.667 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -59 | -44.6 | 173 | -179.8 | -93.4 | 0 | 0 | 0 | 111.7 | L17 W19 I23 S24 E25 | L17-Y21 PolarHBondContact O-N 3.02Å; W19-Y21 PolarHBondContact O-N 3.22Å; Y21-I23 PolarHBondContact O-N 3.39Å; Y21-S24 PolarHBondContact O-N 3.3Å; Y21-E25 WeakPolarHBondContact O-CB 3.4Å; Y21-E25 PolarHBondContact O-N 3.06Å |
| 22 | K | 97 | Very high | 95.3 | Very high | 82 Ų | 82 | 104.6 Ų | 104.6 | 36% | 0.357 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.4 | -36.6 | -179.5 | -168.5 | 66.5 | -165 | 168.1 | 0 | 112.9 | R18 W19 Q20 E25 L26 | R18-K22 WeakPolarHBondContact O-CB 3.44Å; R18-K22 PolarHBondContact O-N 2.83Å; W19-K22 PolarHBondContact O-N 3.45Å; Q20-K22 VanDerWaalsContact C-N 3.34Å; Q20-K22 PolarHBondContact O-N 2.97Å; K22-E25 WeakPolarHBondContact CD-OE2 3.47Å; K22-E25 WeakPolarHBondContact CE-OE2 3.36Å; K22-E25 IonicContact NZ-OE1 3.11Å; K22-E25 IonicContact NZ-OE2 2.77Å; K22-E25 PolarHBondContact NZ-OE2 3.02Å; K22-E25 PolarHBondContact O-N 3.48Å; K22-L26 HydrophobicContact CG-CD1 4.39Å; K22-L26 VanDerWaalsContact O-CG 3.3Å; K22-L26 WeakPolarHBondContact O-CG 3.42Å; K22-L26 PolarHBondContact O-N 3.03Å |
| 23 | I | 96.4 | Very high | 95.7 | Very high | 87 Ų | 87 | 102.8 Ų | 102.8 | 45% | 0.446 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.2 | -51.3 | 173.4 | -71.1 | 163.9 | 0 | 0 | 0 | 109.6 | W19 Q20 Y21 E25 L26 E27 | W19-I23 WeakPolarHBondContact O-CB 3.39Å; W19-I23 VanDerWaalsContact O-CG1 3.27Å; W19-I23 WeakPolarHBondContact O-CG1 3.21Å; W19-I23 PolarHBondContact O-N 2.93Å; Q20-I23 PolarHBondContact O-N 3.02Å; Y21-I23 PolarHBondContact O-N 3.39Å; I23-E25 VanDerWaalsContact C-N 3.28Å; I23-E25 PolarHBondContact O-N 3.25Å; I23-L26 PolarHBondContact O-N 3.12Å; I23-L26 VanDerWaalsContact O-N 3.07Å; I23-E27 HydrophobicContact CG2-CG 4.24Å; I23-E27 WeakPolarHBondContact O-CG 3.48Å; I23-E27 PolarHBondContact O-N 3.47Å |
| 24 | S | 96.4 | Very high | 95.8 | Very high | 55 Ų | 55 | 103.9 Ų | 103.9 | 39% | 0.385 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.2 | -31.4 | 178.7 | -62.3 | 0 | 0 | 0 | 0 | 113.6 | Q20 Y21 S28 | Q20-S24 PolarHBondContact O-N 2.66Å; Q20-S24 PolarHBondContact O-OG 3.42Å; Y21-S24 PolarHBondContact O-N 3.3Å; S24-S28 VanDerWaalsContact O-CB 3.3Å; S24-S28 WeakPolarHBondContact O-CB 3.47Å; S24-S28 PolarHBondContact O-N 2.96Å; S24-S28 VanDerWaalsContact O-N 3.09Å; S24-S28 PolarHBondContact O-OG 3.27Å |
| 25 | E | 97.6 | Very high | 96 | Very high | 64 Ų | 64 | 101.8 Ų | 101.8 | 30% | 0.299 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64 | -48.6 | 170.7 | -165.4 | -156.8 | 157.7 | 0 | 0 | 111.1 | Y21 K22 I23 S28 Q29 | Y21-E25 WeakPolarHBondContact O-CB 3.4Å; Y21-E25 PolarHBondContact O-N 3.06Å; K22-E25 WeakPolarHBondContact CD-OE2 3.47Å; K22-E25 WeakPolarHBondContact CE-OE2 3.36Å; K22-E25 IonicContact NZ-OE1 3.11Å; K22-E25 IonicContact NZ-OE2 2.77Å; K22-E25 PolarHBondContact NZ-OE2 3.02Å; K22-E25 PolarHBondContact O-N 3.48Å; I23-E25 VanDerWaalsContact C-N 3.28Å; I23-E25 PolarHBondContact O-N 3.25Å; E25-S28 WeakPolarHBondContact O-CB 3.27Å; E25-S28 PolarHBondContact O-N 3.16Å; E25-Q29 WeakPolarHBondContact O-CG 3.34Å; E25-Q29 PolarHBondContact O-N 3.08Å; E25-Q29 PolarHBondContact OE1-NE2 2.91Å |
| 26 | L | 96.5 | Very high | 96.2 | Very high | 90 Ų | 90 | 101.6 Ų | 101.6 | 47% | 0.471 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.2 | -41.7 | 179.1 | -71.2 | 170.7 | 0 | 0 | 0 | 112.3 | K22 I23 S28 Q29 L30 | K22-L26 HydrophobicContact CG-CD1 4.39Å; K22-L26 VanDerWaalsContact O-CG 3.3Å; K22-L26 WeakPolarHBondContact O-CG 3.42Å; K22-L26 PolarHBondContact O-N 3.03Å; I23-L26 PolarHBondContact O-N 3.12Å; I23-L26 VanDerWaalsContact O-N 3.07Å; L26-S28 PolarHBondContact O-N 3.44Å; L26-Q29 PolarHBondContact O-N 3.12Å; L26-Q29 VanDerWaalsContact O-N 3.17Å; L26-L30 WeakPolarHBondContact O-CB 3.35Å; L26-L30 PolarHBondContact O-N 2.93Å |
| 27 | E | 96.6 | Very high | 96.4 | Very high | 92 Ų | 92 | 100.6 Ų | 100.6 | 43% | 0.43 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.5 | -34.2 | 172.4 | -71.1 | 172 | 164 | 0 | 0 | 112.2 | I23 R31 | I23-E27 HydrophobicContact CG2-CG 4.24Å; I23-E27 WeakPolarHBondContact O-CG 3.48Å; I23-E27 PolarHBondContact O-N 3.47Å; E27-R31 WeakPolarHBondContact O-CB 3.34Å; E27-R31 WeakPolarHBondContact O-CG 3.49Å; E27-R31 PolarHBondContact O-N 2.84Å; E27-R31 VanDerWaalsContact O-N 3.1Å; E27-R31 PolarHBondContact O-NE 3.23Å |
| 28 | S | 96.4 | Very high | 96.4 | Very high | 45 Ų | 45 | 99 Ų | 99 | 32% | 0.315 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -77.6 | -29.7 | 176.8 | -58 | 0 | 0 | 0 | 0 | 112.3 | S24 E25 L26 R32 | S24-S28 VanDerWaalsContact O-CB 3.3Å; S24-S28 WeakPolarHBondContact O-CB 3.47Å; S24-S28 PolarHBondContact O-N 2.96Å; S24-S28 VanDerWaalsContact O-N 3.09Å; S24-S28 PolarHBondContact O-OG 3.27Å; E25-S28 WeakPolarHBondContact O-CB 3.27Å; E25-S28 PolarHBondContact O-N 3.16Å; L26-S28 PolarHBondContact O-N 3.44Å; S28-R32 WeakPolarHBondContact O-CG 3.32Å; S28-R32 PolarHBondContact O-N 3.44Å; S28-R32 PolarHBondContact O-NE 3.12Å |
| 29 | Q | 96.2 | Very high | 96.4 | Very high | 80 Ų | 80 | 96.7 Ų | 96.7 | 37% | 0.374 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -72.3 | -42.2 | 170.5 | -69.9 | -178.4 | 19.9 | 0 | 0 | 111.3 | E25 L26 R32 S33 | E25-Q29 WeakPolarHBondContact O-CG 3.34Å; E25-Q29 PolarHBondContact O-N 3.08Å; E25-Q29 PolarHBondContact OE1-NE2 2.91Å; L26-Q29 PolarHBondContact O-N 3.12Å; L26-Q29 VanDerWaalsContact O-N 3.17Å; Q29-R32 PolarHBondContact O-N 3.5Å; Q29-S33 PolarHBondContact O-N 3.3Å |
| 30 | L | 96.5 | Very high | 96.4 | Very high | 97 Ų | 97 | 95.2 Ų | 95.2 | 51% | 0.508 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.9 | -51.2 | 176.8 | -179.6 | 60.5 | 0 | 0 | 0 | 111 | L26 R32 S33 E34 | L26-L30 WeakPolarHBondContact O-CB 3.35Å; L26-L30 PolarHBondContact O-N 2.93Å; L30-R32 VanDerWaalsContact C-N 3.31Å; L30-R32 PolarHBondContact O-N 2.89Å; L30-S33 CarbonylContact O-C 3.6Å; L30-S33 WeakPolarHBondContact O-CA 3.34Å; L30-S33 WeakPolarHBondContact O-CB 3.35Å; L30-S33 PolarHBondContact O-N 2.91Å; L30-E34 HydrophobicContact CD1-CG 4.27Å; L30-E34 HydrophobicContact CG-CG 4.42Å; L30-E34 WeakPolarHBondContact O-CG 3.43Å; L30-E34 PolarHBondContact O-N 2.69Å |
| 31 | R | 96.9 | Very high | 96.5 | Very high | 147 Ų | 147 | 94.6 Ų | 94.6 | 56% | 0.555 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -56.4 | -41 | 176.9 | -78.5 | -179.6 | -77.3 | -163.2 | -3.3 | 113.2 | E27 E34 E35 | E27-R31 WeakPolarHBondContact O-CB 3.34Å; E27-R31 WeakPolarHBondContact O-CG 3.49Å; E27-R31 PolarHBondContact O-N 2.84Å; E27-R31 VanDerWaalsContact O-N 3.1Å; E27-R31 PolarHBondContact O-NE 3.23Å; R31-E34 PolarHBondContact O-N 2.75Å; R31-E35 WeakPolarHBondContact O-CB 3.48Å; R31-E35 PolarHBondContact O-N 3.33Å |
| 32 | R | 96.6 | Very high | 96.5 | Very high | 140 Ų | 140 | 92.2 Ų | 92.2 | 53% | 0.528 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.3 | -36.8 | 173.4 | -78.4 | 179.4 | -81.9 | 122 | -11 | 112.5 | S28 Q29 L30 T36 | S28-R32 WeakPolarHBondContact O-CG 3.32Å; S28-R32 PolarHBondContact O-N 3.44Å; S28-R32 PolarHBondContact O-NE 3.12Å; Q29-R32 PolarHBondContact O-N 3.5Å; L30-R32 VanDerWaalsContact C-N 3.31Å; L30-R32 PolarHBondContact O-N 2.89Å; R32-T36 WeakPolarHBondContact O-CB 3.5Å; R32-T36 WeakPolarHBondContact O-CG2 3.46Å; R32-T36 PolarHBondContact O-N 2.88Å; R32-T36 VanDerWaalsContact O-N 3.09Å; R32-T36 PolarHBondContact O-OG1 3.29Å |
| 33 | S | 95.2 | Very high | 96.4 | Very high | 72 Ų | 72 | 93.6 Ų | 93.6 | 50% | 0.503 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -68.9 | -35 | 174.2 | -165.6 | 0 | 0 | 0 | 0 | 112.7 | Q29 L30 T36 N37 | Q29-S33 PolarHBondContact O-N 3.3Å; L30-S33 CarbonylContact O-C 3.6Å; L30-S33 WeakPolarHBondContact O-CA 3.34Å; L30-S33 WeakPolarHBondContact O-CB 3.35Å; L30-S33 PolarHBondContact O-N 2.91Å; S33-T36 WeakPolarHBondContact CA-OG1 3.35Å; S33-T36 PolarHBondContact O-OG1 2.85Å; S33-T36 VanDerWaalsContact O-OG1 3.12Å; S33-N37 WeakPolarHBondContact O-CB 3.42Å; S33-N37 PolarHBondContact O-N 3.5Å |
| 34 | E | 96 | Very high | 96.4 | Very high | 109 Ų | 109 | 95.9 Ų | 95.9 | 51% | 0.509 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -70.5 | -43.5 | 176.4 | -70.3 | 170.2 | 155.2 | 0 | 0 | 111.4 | L30 R31 N37 S38 | L30-E34 HydrophobicContact CD1-CG 4.27Å; L30-E34 HydrophobicContact CG-CG 4.42Å; L30-E34 WeakPolarHBondContact O-CG 3.43Å; L30-E34 PolarHBondContact O-N 2.69Å; R31-E34 PolarHBondContact O-N 2.75Å; E34-N37 PolarHBondContact O-N 3.18Å; E34-S38 WeakPolarHBondContact O-CB 3.47Å; E34-S38 PolarHBondContact O-N 2.89Å |
| 35 | E | 96 | Very high | 96.5 | Very high | 118 Ų | 118 | 96.2 Ų | 96.2 | 55% | 0.551 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.3 | -49.1 | 176.4 | -174.8 | 177.9 | -172.9 | 0 | 0 | 111.8 | R31 N37 S38 Q39 | R31-E35 WeakPolarHBondContact O-CB 3.48Å; R31-E35 PolarHBondContact O-N 3.33Å; E35-N37 VanDerWaalsContact C-N 3.34Å; E35-N37 PolarHBondContact O-N 3.39Å; E35-S38 WeakPolarHBondContact O-CB 3.25Å; E35-S38 PolarHBondContact O-N 2.87Å; E35-Q39 WeakPolarHBondContact O-CG 3.3Å; E35-Q39 PolarHBondContact O-N 2.91Å |
| 36 | T | 95.8 | Very high | 96.4 | Very high | 70 Ų | 70 | 97.4 Ų | 97.4 | 43% | 0.429 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.8 | -38.2 | 176.3 | 50 | 0 | 0 | 0 | 0 | 112.4 | R32 S33 Q39 L40 | R32-T36 WeakPolarHBondContact O-CB 3.5Å; R32-T36 WeakPolarHBondContact O-CG2 3.46Å; R32-T36 PolarHBondContact O-N 2.88Å; R32-T36 VanDerWaalsContact O-N 3.09Å; R32-T36 PolarHBondContact O-OG1 3.29Å; S33-T36 WeakPolarHBondContact CA-OG1 3.35Å; S33-T36 PolarHBondContact O-OG1 2.85Å; S33-T36 VanDerWaalsContact O-OG1 3.12Å; T36-Q39 PolarHBondContact O-N 3.34Å; T36-L40 WeakPolarHBondContact O-CG 3.38Å; T36-L40 PolarHBondContact O-N 3.47Å |
| 37 | N | 96.6 | Very high | 96.4 | Very high | 92 Ų | 92 | 98.2 Ų | 98.2 | 49% | 0.492 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.9 | -40.1 | 173.4 | -172.5 | 37.7 | 0 | 0 | 0 | 112 | S33 E34 E35 L40 L41 | S33-N37 WeakPolarHBondContact O-CB 3.42Å; S33-N37 PolarHBondContact O-N 3.5Å; E34-N37 PolarHBondContact O-N 3.18Å; E35-N37 VanDerWaalsContact C-N 3.34Å; E35-N37 PolarHBondContact O-N 3.39Å; N37-L40 PolarHBondContact O-N 2.94Å; N37-L41 WeakPolarHBondContact O-CB 3.35Å; N37-L41 WeakPolarHBondContact O-CG 3.47Å; N37-L41 PolarHBondContact O-N 3.23Å |
| 38 | S | 96.8 | Very high | 96.4 | Very high | 76 Ų | 76 | 98 Ų | 98 | 53% | 0.531 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.6 | -46.4 | 174.1 | -170.2 | 0 | 0 | 0 | 0 | 111.9 | E34 E35 L40 L41 Q42 | E34-S38 WeakPolarHBondContact O-CB 3.47Å; E34-S38 PolarHBondContact O-N 2.89Å; E35-S38 WeakPolarHBondContact O-CB 3.25Å; E35-S38 PolarHBondContact O-N 2.87Å; S38-L40 PolarHBondContact O-N 3.25Å; S38-L41 PolarHBondContact O-N 2.98Å; S38-Q42 PolarHBondContact O-N 3.05Å |
| 39 | Q | 97.1 | Very high | 96.4 | Very high | 95 Ų | 95 | 102.2 Ų | 102.2 | 44% | 0.444 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.2 | -43.3 | 175.4 | -67.4 | 174.2 | 12.4 | 0 | 0 | 112 | E35 T36 Q42 Q43 | E35-Q39 WeakPolarHBondContact O-CG 3.3Å; E35-Q39 PolarHBondContact O-N 2.91Å; T36-Q39 PolarHBondContact O-N 3.34Å; Q39-Q42 PolarHBondContact O-N 3.48Å; Q39-Q43 WeakPolarHBondContact O-CG 3.27Å; Q39-Q43 PolarHBondContact O-N 3.46Å |
| 40 | L | 96.4 | Very high | 96.4 | Very high | 107 Ų | 107 | 103.6 Ų | 103.6 | 56% | 0.56 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.2 | -37 | 176.3 | -72.4 | 171.6 | 0 | 0 | 0 | 112.6 | T36 N37 S38 K44 | T36-L40 WeakPolarHBondContact O-CG 3.38Å; T36-L40 PolarHBondContact O-N 3.47Å; N37-L40 PolarHBondContact O-N 2.94Å; S38-L40 PolarHBondContact O-N 3.25Å; L40-K44 VanDerWaalsContact O-CB 3.25Å; L40-K44 WeakPolarHBondContact O-CB 3.47Å; L40-K44 PolarHBondContact O-N 2.93Å |
| 41 | L | 96.8 | Very high | 96.3 | Very high | 98 Ų | 98 | 102.1 Ų | 102.1 | 51% | 0.513 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.6 | -41.1 | 174.2 | -74.4 | 170.7 | 0 | 0 | 0 | 111.9 | N37 S38 K44 A45 | N37-L41 WeakPolarHBondContact O-CB 3.35Å; N37-L41 WeakPolarHBondContact O-CG 3.47Å; N37-L41 PolarHBondContact O-N 3.23Å; S38-L41 PolarHBondContact O-N 2.98Å; L41-K44 PolarHBondContact O-N 3.4Å; L41-A45 PolarHBondContact O-N 3.5Å |
| 42 | Q | 95.8 | Very high | 96.3 | Very high | 121 Ų | 121 | 101.5 Ų | 101.5 | 57% | 0.565 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.1 | -49.9 | 173.5 | -177.1 | -179.1 | -22.8 | 0 | 0 | 111.4 | S38 Q39 K44 A45 E46 | S38-Q42 PolarHBondContact O-N 3.05Å; Q39-Q42 PolarHBondContact O-N 3.48Å; Q42-K44 VanDerWaalsContact C-N 3.27Å; Q42-K44 PolarHBondContact O-N 3.48Å; Q42-A45 WeakPolarHBondContact O-CA 3.43Å; Q42-A45 WeakPolarHBondContact O-CB 3.35Å; Q42-A45 PolarHBondContact O-N 2.91Å; Q42-E46 WeakPolarHBondContact CG-OE1 3.38Å; Q42-E46 PolarHBondContact NE2-OE1 3.44Å; Q42-E46 PolarHBondContact O-N 2.91Å |
| 43 | Q | 96.3 | Very high | 96.3 | Very high | 111 Ų | 111 | 99.4 Ų | 99.4 | 52% | 0.519 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.1 | -40.1 | 177.1 | -72.6 | 179.2 | 4 | 0 | 0 | 111.9 | Q39 A45 E46 M47 | Q39-Q43 WeakPolarHBondContact O-CG 3.27Å; Q39-Q43 PolarHBondContact O-N 3.46Å; Q43-A45 PolarHBondContact O-N 3.4Å; Q43-E46 PolarHBondContact O-N 2.94Å; Q43-M47 WeakPolarHBondContact O-CB 3.44Å; Q43-M47 WeakPolarHBondContact O-CG 3.48Å; Q43-M47 PolarHBondContact O-N 3.16Å |
| 44 | K | 97 | Very high | 96.2 | Very high | 135 Ų | 135 | 101.9 Ų | 101.9 | 59% | 0.587 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.3 | -39.9 | 174 | -177.6 | 178.2 | 179.9 | 179.2 | 0 | 112.1 | L40 L41 Q42 N48 | L40-K44 VanDerWaalsContact O-CB 3.25Å; L40-K44 WeakPolarHBondContact O-CB 3.47Å; L40-K44 PolarHBondContact O-N 2.93Å; L41-K44 PolarHBondContact O-N 3.4Å; Q42-K44 VanDerWaalsContact C-N 3.27Å; Q42-K44 PolarHBondContact O-N 3.48Å; K44-N48 WeakPolarHBondContact O-CB 3.45Å; K44-N48 VanDerWaalsContact O-CG 3.28Å; K44-N48 PolarHBondContact O-N 3.01Å; K44-N48 PolarHBondContact O-ND2 3.5Å |
| 45 | A | 96.7 | Very high | 96.1 | Very high | 61 Ų | 61 | 101 Ų | 101 | 50% | 0.504 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.4 | -44.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L41 Q42 Q43 N48 K49 | L41-A45 PolarHBondContact O-N 3.5Å; Q42-A45 WeakPolarHBondContact O-CA 3.43Å; Q42-A45 WeakPolarHBondContact O-CB 3.35Å; Q42-A45 PolarHBondContact O-N 2.91Å; Q43-A45 PolarHBondContact O-N 3.4Å; A45-N48 PolarHBondContact O-N 3.32Å; A45-K49 PolarHBondContact O-N 2.93Å |
| 46 | E | 96.3 | Very high | 96.2 | Very high | 89 Ų | 89 | 102.2 Ų | 102.2 | 42% | 0.416 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.7 | -42.7 | 176.6 | -70.6 | 178.3 | -159.4 | 0 | 0 | 112.5 | Q42 Q43 K49 K50 | Q42-E46 WeakPolarHBondContact CG-OE1 3.38Å; Q42-E46 PolarHBondContact NE2-OE1 3.44Å; Q42-E46 PolarHBondContact O-N 2.91Å; Q43-E46 PolarHBondContact O-N 2.94Å; E46-K49 WeakPolarHBondContact O-CB 3.37Å; E46-K49 PolarHBondContact O-N 2.76Å; E46-K50 WeakPolarHBondContact O-CG 3.28Å; E46-K50 PolarHBondContact O-N 2.97Å |
| 47 | M | 96.4 | Very high | 96.1 | Very high | 108 Ų | 108 | 101.2 Ų | 101.2 | 53% | 0.532 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.8 | -40.8 | 175.7 | -72.5 | -58 | -64.3 | 0 | 0 | 111.9 | Q43 K49 K50 V51 | Q43-M47 WeakPolarHBondContact O-CB 3.44Å; Q43-M47 WeakPolarHBondContact O-CG 3.48Å; Q43-M47 PolarHBondContact O-N 3.16Å; M47-K49 VanDerWaalsContact C-N 3.28Å; M47-K49 PolarHBondContact O-N 2.93Å; M47-K50 PolarHBondContact O-N 3.06Å; M47-K50 HydrophobicContact SD-CD 4.04Å; M47-V51 WeakPolarHBondContact O-CG2 3.46Å; M47-V51 PolarHBondContact O-N 3.42Å |
| 48 | N | 95.8 | Very high | 96 | Very high | 86 Ų | 86 | 102.6 Ų | 102.6 | 46% | 0.46 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.2 | -33.8 | 173 | -80.4 | -39.4 | 0 | 0 | 0 | 112.8 | K44 A45 K52 | K44-N48 WeakPolarHBondContact O-CB 3.45Å; K44-N48 VanDerWaalsContact O-CG 3.28Å; K44-N48 PolarHBondContact O-N 3.01Å; K44-N48 PolarHBondContact O-ND2 3.5Å; A45-N48 PolarHBondContact O-N 3.32Å; N48-K52 WeakPolarHBondContact O-CG 3.27Å; N48-K52 PolarHBondContact O-N 3.27Å |
| 49 | K | 97.4 | Very high | 95.9 | Very high | 134 Ų | 134 | 104.6 Ų | 104.6 | 58% | 0.583 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.6 | -49.3 | 172.5 | -174.4 | -177 | 173.6 | -173.4 | 0 | 110.9 | A45 E46 M47 V51 K52 E53 | A45-K49 PolarHBondContact O-N 2.93Å; E46-K49 WeakPolarHBondContact O-CB 3.37Å; E46-K49 PolarHBondContact O-N 2.76Å; M47-K49 VanDerWaalsContact C-N 3.28Å; M47-K49 PolarHBondContact O-N 2.93Å; K49-V51 PolarHBondContact O-N 3.27Å; K49-K52 PolarHBondContact O-N 2.88Å; K49-E53 WeakPolarHBondContact CE-OE1 3.47Å; K49-E53 WeakPolarHBondContact O-CG 3.46Å; K49-E53 PolarHBondContact O-N 3.15Å |
| 50 | K | 96.1 | Very high | 95.8 | Very high | 110 Ų | 110 | 104.4 Ų | 104.4 | 48% | 0.478 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.6 | -41.9 | 176.9 | -72 | 171.8 | -179.5 | 168.9 | 0 | 112.6 | E46 M47 E53 L54 | E46-K50 WeakPolarHBondContact O-CG 3.28Å; E46-K50 PolarHBondContact O-N 2.97Å; M47-K50 PolarHBondContact O-N 3.06Å; M47-K50 HydrophobicContact SD-CD 4.04Å; K50-E53 PolarHBondContact O-N 3.24Å; K50-L54 WeakPolarHBondContact O-CG 3.49Å; K50-L54 PolarHBondContact O-N 3.47Å |
| 51 | V | 95 | Very high | 95.6 | Very high | 66 Ų | 66 | 105 Ų | 105 | 40% | 0.4 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.7 | -48.9 | 175.2 | 170 | 0 | 0 | 0 | 0 | 111 | M47 K49 E53 L54 E55 | M47-V51 WeakPolarHBondContact O-CG2 3.46Å; M47-V51 PolarHBondContact O-N 3.42Å; K49-V51 PolarHBondContact O-N 3.27Å; V51-E53 VanDerWaalsContact C-N 3.26Å; V51-E53 PolarHBondContact O-N 2.97Å; V51-L54 PolarHBondContact O-N 2.93Å; V51-E55 HydrophobicContact CG1-CG 4.43Å; V51-E55 WeakPolarHBondContact O-CG 3.4Å; V51-E55 PolarHBondContact O-N 2.93Å |
| 52 | K | 96.7 | Very high | 95.3 | Very high | 134 Ų | 134 | 105.6 Ų | 105.6 | 58% | 0.583 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.4 | -30.9 | 177.3 | -72.4 | 176.3 | 180 | -179.8 | 0 | 113.3 | N48 K49 K56 | N48-K52 WeakPolarHBondContact O-CG 3.27Å; N48-K52 PolarHBondContact O-N 3.27Å; K49-K52 PolarHBondContact O-N 2.88Å; K52-K56 VanDerWaalsContact O-CG 3.27Å; K52-K56 WeakPolarHBondContact O-CG 3.34Å; K52-K56 PolarHBondContact O-N 2.83Å |
| 53 | E | 95.5 | Very high | 95.2 | Very high | 95 Ų | 95 | 108.2 Ų | 108.2 | 44% | 0.444 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -72.7 | -43.9 | 174.8 | -73.3 | 166.9 | 179.6 | 0 | 0 | 111.6 | K49 K50 V51 K56 A57 | K49-E53 WeakPolarHBondContact CE-OE1 3.47Å; K49-E53 WeakPolarHBondContact O-CG 3.46Å; K49-E53 PolarHBondContact O-N 3.15Å; K50-E53 PolarHBondContact O-N 3.24Å; V51-E53 VanDerWaalsContact C-N 3.26Å; V51-E53 PolarHBondContact O-N 2.97Å; E53-K56 WeakPolarHBondContact O-CB 3.48Å; E53-K56 PolarHBondContact O-N 3.5Å; E53-A57 PolarHBondContact O-N 3Å |
| 54 | L | 94.1 | Very high | 95 | Very high | 125 Ų | 125 | 105.1 Ų | 105.1 | 65% | 0.654 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.7 | -41.2 | 174.8 | -70.2 | 171.8 | 0 | 0 | 0 | 112.4 | K50 V51 K56 A57 Q58 | K50-L54 WeakPolarHBondContact O-CG 3.49Å; K50-L54 PolarHBondContact O-N 3.47Å; V51-L54 PolarHBondContact O-N 2.93Å; L54-K56 VanDerWaalsContact C-N 3.32Å; L54-K56 PolarHBondContact O-N 3.36Å; L54-A57 PolarHBondContact O-N 3.18Å; L54-Q58 WeakPolarHBondContact O-CB 3.47Å; L54-Q58 PolarHBondContact O-N 3.36Å |
| 55 | E | 94.5 | Very high | 94.6 | Very high | 89 Ų | 89 | 102.8 Ų | 102.8 | 42% | 0.416 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.5 | -39.2 | 173.5 | -75 | 178.5 | 177.5 | 0 | 0 | 112.5 | V51 K59 | V51-E55 HydrophobicContact CG1-CG 4.43Å; V51-E55 WeakPolarHBondContact O-CG 3.4Å; V51-E55 PolarHBondContact O-N 2.93Å; E55-K59 WeakPolarHBondContact O-CB 3.3Å; E55-K59 VanDerWaalsContact O-CG 3.29Å; E55-K59 WeakPolarHBondContact O-CG 3.5Å; E55-K59 PolarHBondContact O-N 2.93Å |
| 56 | K | 96.5 | Very high | 94.5 | Very high | 145 Ų | 145 | 105.9 Ų | 105.9 | 63% | 0.63 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.5 | -46.2 | 174.6 | -75.4 | 171.2 | -178 | -178.6 | 0 | 110.8 | K52 E53 L54 K59 V60 | K52-K56 VanDerWaalsContact O-CG 3.27Å; K52-K56 WeakPolarHBondContact O-CG 3.34Å; K52-K56 PolarHBondContact O-N 2.83Å; E53-K56 WeakPolarHBondContact O-CB 3.48Å; E53-K56 PolarHBondContact O-N 3.5Å; L54-K56 VanDerWaalsContact C-N 3.32Å; L54-K56 PolarHBondContact O-N 3.36Å; K56-K59 PolarHBondContact O-N 3.43Å; K56-V60 WeakPolarHBondContact O-CG2 3.4Å; K56-V60 PolarHBondContact O-N 3.33Å; K56-V60 VanDerWaalsContact O-N 3.1Å |
| 57 | A | 93.9 | Very high | 94.3 | Very high | 49 Ų | 49 | 108.2 Ų | 108.2 | 41% | 0.405 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.9 | -45.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | E53 L54 K59 V60 L61 | E53-A57 PolarHBondContact O-N 3Å; L54-A57 PolarHBondContact O-N 3.18Å; A57-K59 PolarHBondContact O-N 3.19Å; A57-V60 PolarHBondContact O-N 3.39Å; A57-V60 VanDerWaalsContact O-N 3.14Å; A57-L61 WeakPolarHBondContact O-CG 3.45Å; A57-L61 PolarHBondContact O-N 2.89Å |
| 58 | Q | 94.2 | Very high | 94 | Very high | 120 Ų | 120 | 109.8 Ų | 109.8 | 56% | 0.561 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -58.9 | -44.5 | 175.7 | -170 | -171.6 | 30.9 | 0 | 0 | 111.7 | L54 V60 L61 L62 | L54-Q58 WeakPolarHBondContact O-CB 3.47Å; L54-Q58 PolarHBondContact O-N 3.36Å; Q58-V60 VanDerWaalsContact C-N 3.3Å; Q58-V60 PolarHBondContact O-N 2.9Å; Q58-L61 PolarHBondContact O-N 2.89Å; Q58-L62 HydrophobicContact CG-CD1 4.18Å; Q58-L62 WeakPolarHBondContact O-CB 3.41Å; Q58-L62 WeakPolarHBondContact O-CG 3.35Å; Q58-L62 PolarHBondContact O-N 3.36Å |
| 59 | K | 95.2 | Very high | 93.5 | Very high | 118 Ų | 118 | 111.5 Ų | 111.5 | 51% | 0.513 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.9 | -35.1 | 175.9 | -75.7 | 167.3 | -177.5 | 166.3 | 0 | 112.7 | E55 K56 A57 R63 | E55-K59 WeakPolarHBondContact O-CB 3.3Å; E55-K59 VanDerWaalsContact O-CG 3.29Å; E55-K59 WeakPolarHBondContact O-CG 3.5Å; E55-K59 PolarHBondContact O-N 2.93Å; K56-K59 PolarHBondContact O-N 3.43Å; A57-K59 PolarHBondContact O-N 3.19Å; K59-R63 VanDerWaalsContact O-CG 3.28Å; K59-R63 WeakPolarHBondContact O-CG 3.5Å; K59-R63 PolarHBondContact O-N 2.94Å |
| 60 | V | 94.4 | Very high | 93.3 | Very high | 91 Ų | 91 | 110 Ų | 110 | 55% | 0.552 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -69.5 | -46.2 | 173.9 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | K56 A57 Q58 L62 R63 S64 | K56-V60 WeakPolarHBondContact O-CG2 3.4Å; K56-V60 PolarHBondContact O-N 3.33Å; K56-V60 VanDerWaalsContact O-N 3.1Å; A57-V60 PolarHBondContact O-N 3.39Å; A57-V60 VanDerWaalsContact O-N 3.14Å; Q58-V60 VanDerWaalsContact C-N 3.3Å; Q58-V60 PolarHBondContact O-N 2.9Å; V60-L62 PolarHBondContact O-N 3.26Å; V60-R63 PolarHBondContact O-N 2.92Å; V60-S64 WeakPolarHBondContact O-CB 3.44Å; V60-S64 PolarHBondContact O-N 2.97Å |
| 61 | L | 92.4 | Very high | 93.1 | Very high | 121 Ų | 121 | 111.6 Ų | 111.6 | 63% | 0.634 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.3 | -42.4 | 178.1 | -71.2 | 173.7 | 0 | 0 | 0 | 112.4 | A57 Q58 R63 S64 N65 | A57-L61 WeakPolarHBondContact O-CG 3.45Å; A57-L61 PolarHBondContact O-N 2.89Å; Q58-L61 PolarHBondContact O-N 2.89Å; L61-R63 PolarHBondContact O-N 2.92Å; L61-S64 WeakPolarHBondContact O-CB 3.33Å; L61-S64 PolarHBondContact O-N 3.16Å; L61-N65 WeakPolarHBondContact O-CB 3.31Å; L61-N65 PolarHBondContact O-N 3.46Å |
| 62 | L | 92.1 | Very high | 92.6 | Very high | 110 Ų | 110 | 113.7 Ų | 113.7 | 58% | 0.576 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.5 | -42.8 | 176.1 | -73.6 | 170 | 0 | 0 | 0 | 112.3 | Q58 V60 N65 K66 | Q58-L62 HydrophobicContact CG-CD1 4.18Å; Q58-L62 WeakPolarHBondContact O-CB 3.41Å; Q58-L62 WeakPolarHBondContact O-CG 3.35Å; Q58-L62 PolarHBondContact O-N 3.36Å; V60-L62 PolarHBondContact O-N 3.26Å; L62-N65 PolarHBondContact O-N 2.67Å; L62-K66 PolarHBondContact O-N 3.38Å |
| 63 | R | 93.8 | Very high | 92.1 | Very high | 176 Ų | 176 | 114 Ų | 114 | 66% | 0.664 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.4 | -39.8 | 174.6 | -69.8 | 170 | -173.1 | 175.3 | 1.1 | 112.1 | K59 V60 L61 K67 | K59-R63 VanDerWaalsContact O-CG 3.28Å; K59-R63 WeakPolarHBondContact O-CG 3.5Å; K59-R63 PolarHBondContact O-N 2.94Å; V60-R63 PolarHBondContact O-N 2.92Å; L61-R63 PolarHBondContact O-N 2.92Å; R63-K67 WeakPolarHBondContact O-CG 3.49Å; R63-K67 PolarHBondContact O-N 2.95Å |
| 64 | S | 91.9 | Very high | 91.7 | Very high | 46 Ų | 46 | 112.4 Ų | 112.4 | 32% | 0.322 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.2 | -47.6 | 177.4 | -165.3 | 0 | 0 | 0 | 0 | 111.1 | V60 L61 K66 K67 Y68 | V60-S64 WeakPolarHBondContact O-CB 3.44Å; V60-S64 PolarHBondContact O-N 2.97Å; L61-S64 WeakPolarHBondContact O-CB 3.33Å; L61-S64 PolarHBondContact O-N 3.16Å; S64-K66 PolarHBondContact O-N 2.97Å; S64-K67 WeakPolarHBondContact O-CB 3.47Å; S64-K67 PolarHBondContact O-N 3.47Å; S64-K67 VanDerWaalsContact O-N 3.16Å; S64-Y68 WeakPolarHBondContact O-CD2 3.39Å; S64-Y68 PolarHBondContact O-N 3.41Å; S64-Y68 WeakPolarHBondContact OG-CE2 3.49Å |
| 65 | N | 88.3 | Confident | 91.4 | Very high | 86 Ų | 86 | 110.1 Ų | 110.1 | 46% | 0.46 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -58.8 | -45.6 | 177 | -168 | -71.8 | 0 | 0 | 0 | 111.6 | L61 L62 K67 Y68 Q69 | L61-N65 WeakPolarHBondContact O-CB 3.31Å; L61-N65 PolarHBondContact O-N 3.46Å; L62-N65 PolarHBondContact O-N 2.67Å; N65-K67 PolarHBondContact O-N 2.9Å; N65-Y68 PolarHBondContact O-N 3.41Å; N65-Q69 WeakPolarHBondContact O-CG 3.4Å; N65-Q69 PolarHBondContact O-N 3.03Å; N65-Q69 PolarHBondContact OD1-NE2 3.41Å; N65-Q69 VanDerWaalsContact OD1-NE2 3.07Å |
| 66 | K | 94.2 | Very high | 91 | Very high | 126 Ų | 126 | 109.4 Ų | 109.4 | 55% | 0.548 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -56.1 | -46.2 | 174.4 | -172.7 | 178 | -179.9 | -168 | 0 | 112.3 | L62 S64 Y68 Q69 E70 | L62-K66 PolarHBondContact O-N 3.38Å; S64-K66 PolarHBondContact O-N 2.97Å; K66-Y68 VanDerWaalsContact C-N 3.3Å; K66-Y68 PolarHBondContact O-N 3.24Å; K66-Q69 PolarHBondContact O-N 3.28Å; K66-E70 WeakPolarHBondContact CE-OE1 3.34Å; K66-E70 IonicContact NZ-OE1 3.08Å; K66-E70 WeakPolarHBondContact O-CG 3.46Å; K66-E70 PolarHBondContact O-N 3.28Å |
| 67 | K | 92.8 | Very high | 90.6 | Very high | 137 Ų | 137 | 105 Ų | 105 | 60% | 0.596 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.7 | -34.8 | 175.4 | -72.6 | -177.7 | 176.9 | -169.8 | 0 | 113.1 | R63 S64 N65 K71 | R63-K67 WeakPolarHBondContact O-CG 3.49Å; R63-K67 PolarHBondContact O-N 2.95Å; S64-K67 WeakPolarHBondContact O-CB 3.47Å; S64-K67 PolarHBondContact O-N 3.47Å; S64-K67 VanDerWaalsContact O-N 3.16Å; N65-K67 PolarHBondContact O-N 2.9Å; K67-K71 WeakPolarHBondContact O-CG 3.46Å; K67-K71 PolarHBondContact O-N 3.07Å; K67-K71 VanDerWaalsContact O-N 3.14Å |
| 68 | Y | 88.8 | Confident | 90.5 | Very high | 142 Ų | 142 | 109.6 Ų | 109.6 | 56% | 0.557 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -71 | -40.9 | 174.1 | -74.2 | -64.5 | 0 | 0 | 0 | 112.1 | S64 N65 K66 K71 I72 | S64-Y68 WeakPolarHBondContact O-CD2 3.39Å; S64-Y68 PolarHBondContact O-N 3.41Å; S64-Y68 WeakPolarHBondContact OG-CE2 3.49Å; N65-Y68 PolarHBondContact O-N 3.41Å; K66-Y68 VanDerWaalsContact C-N 3.3Å; K66-Y68 PolarHBondContact O-N 3.24Å; Y68-K71 PolarHBondContact O-N 2.88Å; Y68-I72 VanDerWaalsContact O-CG1 3.26Å; Y68-I72 WeakPolarHBondContact O-CG1 3.38Å; Y68-I72 PolarHBondContact O-N 3.05Å |
| 69 | Q | 86.7 | Confident | 89.9 | Confident | 121 Ų | 121 | 108.6 Ų | 108.6 | 57% | 0.565 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -60.8 | -44.9 | 174.3 | -70.2 | -179.4 | -7.6 | 0 | 0 | 111.7 | N65 K66 K71 I72 H73 | N65-Q69 WeakPolarHBondContact O-CG 3.4Å; N65-Q69 PolarHBondContact O-N 3.03Å; N65-Q69 PolarHBondContact OD1-NE2 3.41Å; N65-Q69 VanDerWaalsContact OD1-NE2 3.07Å; K66-Q69 PolarHBondContact O-N 3.28Å; Q69-K71 VanDerWaalsContact C-N 3.35Å; Q69-K71 PolarHBondContact O-N 3.09Å; Q69-I72 PolarHBondContact O-N 3.49Å; Q69-H73 WeakPolarHBondContact O-CB 3.34Å; Q69-H73 PolarHBondContact O-N 3.34Å |
| 70 | E | 92.2 | Very high | 89.4 | Confident | 104 Ų | 104 | 106.2 Ų | 106.2 | 49% | 0.486 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -58.5 | -44.2 | 174.9 | -72.1 | 165.5 | 173.5 | 0 | 0 | 111.7 | K66 A74 | K66-E70 WeakPolarHBondContact CE-OE1 3.34Å; K66-E70 IonicContact NZ-OE1 3.08Å; K66-E70 WeakPolarHBondContact O-CG 3.46Å; K66-E70 PolarHBondContact O-N 3.28Å; E70-A74 WeakPolarHBondContact O-CB 3.47Å; E70-A74 PolarHBondContact O-N 3.32Å |
| 71 | K | 91 | Very high | 89.3 | Confident | 143 Ų | 143 | 108 Ų | 108 | 62% | 0.622 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64 | -45.3 | 175.2 | -76.7 | 179.4 | 175.7 | -169.2 | 0 | 113 | K67 Y68 Q69 H73 A74 V75 | K67-K71 WeakPolarHBondContact O-CG 3.46Å; K67-K71 PolarHBondContact O-N 3.07Å; K67-K71 VanDerWaalsContact O-N 3.14Å; Y68-K71 PolarHBondContact O-N 2.88Å; Q69-K71 VanDerWaalsContact C-N 3.35Å; Q69-K71 PolarHBondContact O-N 3.09Å; K71-H73 VanDerWaalsContact C-N 3.34Å; K71-A74 PolarHBondContact O-N 3.02Å; K71-V75 WeakPolarHBondContact O-CG2 3.5Å; K71-V75 PolarHBondContact O-N 3.27Å |
| 72 | I | 85.2 | Confident | 89.2 | Confident | 109 Ų | 109 | 106.9 Ų | 106.9 | 56% | 0.559 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.3 | -46.2 | 178.3 | -70.1 | 163.4 | 0 | 0 | 0 | 109.7 | Y68 Q69 A74 V75 V76 | Y68-I72 VanDerWaalsContact O-CG1 3.26Å; Y68-I72 WeakPolarHBondContact O-CG1 3.38Å; Y68-I72 PolarHBondContact O-N 3.05Å; Q69-I72 PolarHBondContact O-N 3.49Å; I72-A74 VanDerWaalsContact C-N 3.32Å; I72-A74 PolarHBondContact O-N 2.91Å; I72-V75 PolarHBondContact O-N 3.29Å; I72-V76 HydrophobicContact CG2-CG2 4.28Å; I72-V76 WeakPolarHBondContact O-CB 3.4Å; I72-V76 VanDerWaalsContact O-CG2 3.31Å; I72-V76 WeakPolarHBondContact O-CG2 3.45Å; I72-V76 PolarHBondContact O-N 3.45Å |
| 73 | H | 85.5 | Confident | 88.9 | Confident | 142 Ų | 142 | 107.7 Ų | 107.7 | 66% | 0.657 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.6 | -39.4 | 177.5 | -169.7 | -71 | 0 | 0 | 0 | 112.3 | Q69 K71 A77 | Q69-H73 WeakPolarHBondContact O-CB 3.34Å; Q69-H73 PolarHBondContact O-N 3.34Å; K71-H73 VanDerWaalsContact C-N 3.34Å; H73-A77 VanDerWaalsContact O-CB 3.27Å; H73-A77 WeakPolarHBondContact O-CB 3.33Å; H73-A77 PolarHBondContact O-N 3.46Å |
| 74 | A | 89 | Confident | 88.6 | Confident | 60 Ų | 60 | 104 Ų | 104 | 50% | 0.496 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.1 | -42.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E70 K71 I72 F78 | E70-A74 WeakPolarHBondContact O-CB 3.47Å; E70-A74 PolarHBondContact O-N 3.32Å; K71-A74 PolarHBondContact O-N 3.02Å; I72-A74 VanDerWaalsContact C-N 3.32Å; I72-A74 PolarHBondContact O-N 2.91Å; A74-F78 WeakPolarHBondContact O-CB 3.5Å; A74-F78 PolarHBondContact O-N 3.33Å |
| 75 | V | 85.9 | Confident | 88.4 | Confident | 77 Ų | 77 | 105 Ų | 105 | 47% | 0.467 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.9 | -48.3 | 176.1 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | K71 I72 A77 F78 E79 | K71-V75 WeakPolarHBondContact O-CG2 3.5Å; K71-V75 PolarHBondContact O-N 3.27Å; I72-V75 PolarHBondContact O-N 3.29Å; V75-A77 PolarHBondContact O-N 3.41Å; V75-F78 PolarHBondContact O-N 2.87Å; V75-F78 VanDerWaalsContact O-N 3.17Å; V75-E79 HydrophobicContact CG1-CG 4.28Å; V75-E79 WeakPolarHBondContact O-CG 3.42Å; V75-E79 PolarHBondContact O-N 3.41Å |
| 76 | V | 86.7 | Confident | 88.4 | Confident | 74 Ų | 74 | 106.2 Ų | 106.2 | 45% | 0.448 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.7 | -45.3 | 178.3 | 170.9 | 0 | 0 | 0 | 0 | 110.9 | I72 F78 E79 T80 | I72-V76 HydrophobicContact CG2-CG2 4.28Å; I72-V76 WeakPolarHBondContact O-CB 3.4Å; I72-V76 VanDerWaalsContact O-CG2 3.31Å; I72-V76 WeakPolarHBondContact O-CG2 3.45Å; I72-V76 PolarHBondContact O-N 3.45Å; V76-F78 VanDerWaalsContact C-N 3.32Å; V76-F78 PolarHBondContact O-N 2.94Å; V76-E79 PolarHBondContact O-N 3.04Å; V76-T80 WeakPolarHBondContact O-CB 3.5Å; V76-T80 PolarHBondContact O-N 2.84Å; V76-T80 PolarHBondContact O-OG1 2.9Å |
| 77 | A | 88.7 | Confident | 88.1 | Confident | 52 Ų | 52 | 105.2 Ų | 105.2 | 43% | 0.43 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.1 | -37.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | H73 V75 K81 | H73-A77 VanDerWaalsContact O-CB 3.27Å; H73-A77 WeakPolarHBondContact O-CB 3.33Å; H73-A77 PolarHBondContact O-N 3.46Å; V75-A77 PolarHBondContact O-N 3.41Å; A77-K81 WeakPolarHBondContact O-CB 3.49Å; A77-K81 PolarHBondContact O-N 3.13Å |
| 78 | F | 90.5 | Very high | 88.1 | Confident | 146 Ų | 146 | 104 Ų | 104 | 64% | 0.64 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.4 | -47.7 | 174.9 | 175.5 | -93.9 | 0 | 0 | 0 | 112.1 | A74 V75 V76 K81 H82 | A74-F78 WeakPolarHBondContact O-CB 3.5Å; A74-F78 PolarHBondContact O-N 3.33Å; V75-F78 PolarHBondContact O-N 2.87Å; V75-F78 VanDerWaalsContact O-N 3.17Å; V76-F78 VanDerWaalsContact C-N 3.32Å; V76-F78 PolarHBondContact O-N 2.94Å; F78-K81 PolarHBondContact O-N 2.93Å; F78-H82 WeakPolarHBondContact O-CB 3.3Å; F78-H82 PolarHBondContact O-N 3.48Å |
| 79 | E | 83.2 | Confident | 88.1 | Confident | 99 Ų | 99 | 101.7 Ų | 101.7 | 46% | 0.463 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.6 | -44.8 | 178.9 | -72.5 | -179 | 168.2 | 0 | 0 | 111.7 | V75 V76 K81 H82 F83 | V75-E79 HydrophobicContact CG1-CG 4.28Å; V75-E79 WeakPolarHBondContact O-CG 3.42Å; V75-E79 PolarHBondContact O-N 3.41Å; V76-E79 PolarHBondContact O-N 3.04Å; E79-K81 PolarHBondContact O-N 3.36Å; E79-H82 PolarHBondContact O-N 3.38Å; E79-F83 HydrophobicContact CB-CE2 4.44Å; E79-F83 WeakPolarHBondContact O-CD2 3.39Å; E79-F83 PolarHBondContact O-N 3.06Å |
| 80 | T | 84.9 | Confident | 88.1 | Confident | 68 Ų | 68 | 98.5 Ų | 98.5 | 42% | 0.417 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -55.7 | -51.4 | 175.1 | -61.3 | 0 | 0 | 0 | 0 | 110.8 | V76 H82 F83 E84 | V76-T80 WeakPolarHBondContact O-CB 3.5Å; V76-T80 PolarHBondContact O-N 2.84Å; V76-T80 PolarHBondContact O-OG1 2.9Å; T80-H82 VanDerWaalsContact C-N 3.35Å; T80-H82 PolarHBondContact O-N 2.81Å; T80-F83 PolarHBondContact O-N 3.17Å; T80-E84 HydrophobicContact CG2-CG 4.48Å; T80-E84 WeakPolarHBondContact O-CG 3.37Å; T80-E84 PolarHBondContact O-N 3.35Å |
| 81 | K | 90.7 | Very high | 87.9 | Confident | 128 Ų | 128 | 99.1 Ų | 99.1 | 56% | 0.557 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.9 | -42.3 | 177.8 | -172.1 | -175.9 | 175.7 | -172.7 | 0 | 112.2 | A77 F78 E79 F83 E84 D85 | A77-K81 WeakPolarHBondContact O-CB 3.49Å; A77-K81 PolarHBondContact O-N 3.13Å; F78-K81 PolarHBondContact O-N 2.93Å; E79-K81 PolarHBondContact O-N 3.36Å; K81-F83 VanDerWaalsContact C-N 3.32Å; K81-F83 PolarHBondContact O-N 3.45Å; K81-E84 PolarHBondContact O-N 3.1Å; K81-D85 WeakPolarHBondContact CE-OD2 3.21Å; K81-D85 PolarHBondContact O-N 2.89Å |
| 82 | H | 90.5 | Very high | 88 | Confident | 99 Ų | 99 | 97.7 Ų | 97.7 | 46% | 0.458 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.9 | -39.4 | 178.3 | 179.1 | 68.9 | 0 | 0 | 0 | 112.5 | F78 E79 T80 K86 | F78-H82 WeakPolarHBondContact O-CB 3.3Å; F78-H82 PolarHBondContact O-N 3.48Å; E79-H82 PolarHBondContact O-N 3.38Å; T80-H82 VanDerWaalsContact C-N 3.35Å; T80-H82 PolarHBondContact O-N 2.81Å; H82-K86 WeakPolarHBondContact O-CG 3.41Å; H82-K86 PolarHBondContact O-N 3.41Å; H82-K86 VanDerWaalsContact O-N 3.17Å |
| 83 | F | 85.5 | Confident | 88.1 | Confident | 126 Ų | 126 | 95.7 Ų | 95.7 | 55% | 0.553 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -75.2 | -34.9 | 175.2 | -72 | -61.7 | 0 | 0 | 0 | 112.9 | E79 T80 K81 K86 L87 | E79-F83 HydrophobicContact CB-CE2 4.44Å; E79-F83 WeakPolarHBondContact O-CD2 3.39Å; E79-F83 PolarHBondContact O-N 3.06Å; T80-F83 PolarHBondContact O-N 3.17Å; K81-F83 VanDerWaalsContact C-N 3.32Å; K81-F83 PolarHBondContact O-N 3.45Å; F83-K86 PolarHBondContact O-N 3.3Å; F83-L87 VanDerWaalsContact O-CB 3.3Å; F83-L87 WeakPolarHBondContact O-CB 3.41Å; F83-L87 PolarHBondContact O-N 3.35Å |
| 84 | E | 88.1 | Confident | 88.3 | Confident | 99 Ų | 99 | 93.1 Ų | 93.1 | 46% | 0.463 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 171.9 | -75.2 | 174 | -179.8 | 0 | 0 | 112.2 | T80 K81 L87 K88 | T80-E84 HydrophobicContact CG2-CG 4.48Å; T80-E84 WeakPolarHBondContact O-CG 3.37Å; T80-E84 PolarHBondContact O-N 3.35Å; K81-E84 PolarHBondContact O-N 3.1Å; E84-L87 WeakPolarHBondContact O-CB 3.17Å; E84-L87 PolarHBondContact O-N 3.01Å; E84-K88 WeakPolarHBondContact O-CG 3.46Å; E84-K88 PolarHBondContact O-N 3.47Å |
| 85 | D | 88.1 | Confident | 88.2 | Confident | 66 Ų | 66 | 93.1 Ų | 93.1 | 35% | 0.353 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -69.2 | -37.8 | 179.9 | -69 | -22.4 | 0 | 0 | 0 | 111.4 | K81 L87 K88 Q89 | K81-D85 WeakPolarHBondContact CE-OD2 3.21Å; K81-D85 PolarHBondContact O-N 2.89Å; D85-L87 VanDerWaalsContact C-N 3.35Å; D85-L87 PolarHBondContact O-N 2.9Å; D85-K88 PolarHBondContact O-N 2.91Å; D85-K88 IonicContact OD1-NZ 2.65Å; D85-K88 PolarHBondContact OD1-NZ 3.49Å; D85-Q89 PolarHBondContact O-N 3.5Å; D85-Q89 VanDerWaalsContact O-N 3.15Å |
| 86 | K | 87.5 | Confident | 88.4 | Confident | 113 Ų | 113 | 94.6 Ų | 94.6 | 49% | 0.491 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62 | -39.2 | 168.6 | -81.3 | 178.9 | 166.7 | 171.3 | 0 | 113.1 | H82 F83 Q89 A90 | H82-K86 WeakPolarHBondContact O-CG 3.41Å; H82-K86 PolarHBondContact O-N 3.41Å; H82-K86 VanDerWaalsContact O-N 3.17Å; F83-K86 PolarHBondContact O-N 3.3Å; K86-Q89 PolarHBondContact O-N 3.43Å; K86-A90 PolarHBondContact O-N 3.42Å |
| 87 | L | 88.4 | Confident | 88.4 | Confident | 105 Ų | 105 | 95.4 Ų | 95.4 | 55% | 0.55 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.3 | -39.1 | 178.9 | -172.6 | 65.7 | 0 | 0 | 0 | 111.1 | F83 E84 D85 A90 H91 | F83-L87 VanDerWaalsContact O-CB 3.3Å; F83-L87 WeakPolarHBondContact O-CB 3.41Å; F83-L87 PolarHBondContact O-N 3.35Å; E84-L87 WeakPolarHBondContact O-CB 3.17Å; E84-L87 PolarHBondContact O-N 3.01Å; D85-L87 VanDerWaalsContact C-N 3.35Å; D85-L87 PolarHBondContact O-N 2.9Å; L87-A90 PolarHBondContact O-N 3.32Å; L87-H91 PolarHBondContact O-N 3.09Å; L87-H91 VanDerWaalsContact O-N 3.13Å; L87-H91 PolarHBondContact O-ND1 2.9Å |
| 88 | K | 92.5 | Very high | 88.5 | Confident | 110 Ų | 110 | 98.7 Ų | 98.7 | 48% | 0.478 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.8 | -51 | 173.7 | -68.1 | 165.9 | -159.9 | 156.8 | 0 | 111.3 | E84 D85 A90 H91 E92 | E84-K88 WeakPolarHBondContact O-CG 3.46Å; E84-K88 PolarHBondContact O-N 3.47Å; D85-K88 PolarHBondContact O-N 2.91Å; D85-K88 IonicContact OD1-NZ 2.65Å; D85-K88 PolarHBondContact OD1-NZ 3.49Å; K88-A90 VanDerWaalsContact C-N 3.31Å; K88-A90 PolarHBondContact O-N 3.19Å; K88-H91 WeakPolarHBondContact O-CB 3.29Å; K88-H91 PolarHBondContact O-N 2.88Å; K88-E92 PolarHBondContact O-N 3.23Å |
| 89 | Q | 89.4 | Confident | 88.4 | Confident | 95 Ų | 95 | 96.6 Ų | 96.6 | 44% | 0.444 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -54.5 | -46.9 | 177.3 | -174.4 | 64.5 | 58.9 | 0 | 0 | 111.7 | D85 K86 H91 E92 D93 | D85-Q89 PolarHBondContact O-N 3.5Å; D85-Q89 VanDerWaalsContact O-N 3.15Å; K86-Q89 PolarHBondContact O-N 3.43Å; Q89-H91 VanDerWaalsContact C-N 3.28Å; Q89-H91 PolarHBondContact O-N 3.36Å; Q89-E92 PolarHBondContact O-N 3.41Å; Q89-E92 VanDerWaalsContact O-N 3.12Å; Q89-D93 PolarHBondContact NE2-OD1 3.35Å; Q89-D93 PolarHBondContact O-N 2.95Å |
| 90 | A | 87 | Confident | 88.7 | Confident | 54 Ų | 54 | 95 Ų | 95 | 45% | 0.446 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.4 | -30.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | K86 L87 K88 L94 | K86-A90 PolarHBondContact O-N 3.42Å; L87-A90 PolarHBondContact O-N 3.32Å; K88-A90 VanDerWaalsContact C-N 3.31Å; K88-A90 PolarHBondContact O-N 3.19Å; A90-L94 VanDerWaalsContact O-CB 3.28Å; A90-L94 WeakPolarHBondContact O-CB 3.49Å; A90-L94 PolarHBondContact O-N 2.93Å; A90-L94 VanDerWaalsContact O-N 3.1Å |
| 91 | H | 88.6 | Confident | 88.9 | Confident | 117 Ų | 117 | 97 Ų | 97 | 54% | 0.542 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -73 | -38 | 173 | -78.6 | 79 | 0 | 0 | 0 | 112.2 | L87 K88 Q89 L94 A95 | L87-H91 PolarHBondContact O-N 3.09Å; L87-H91 VanDerWaalsContact O-N 3.13Å; L87-H91 PolarHBondContact O-ND1 2.9Å; K88-H91 WeakPolarHBondContact O-CB 3.29Å; K88-H91 PolarHBondContact O-N 2.88Å; Q89-H91 VanDerWaalsContact C-N 3.28Å; Q89-H91 PolarHBondContact O-N 3.36Å; H91-L94 PolarHBondContact O-N 2.95Å; H91-A95 WeakPolarHBondContact O-CB 3.44Å; H91-A95 PolarHBondContact O-N 3.09Å |
| 92 | E | 91.6 | Very high | 88.8 | Confident | 113 Ų | 113 | 97.2 Ų | 97.2 | 53% | 0.528 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.3 | -45.9 | 174.9 | -69 | 172.7 | -161.2 | 0 | 0 | 111.1 | K88 Q89 L94 A95 M96 | K88-E92 PolarHBondContact O-N 3.23Å; Q89-E92 PolarHBondContact O-N 3.41Å; Q89-E92 VanDerWaalsContact O-N 3.12Å; E92-L94 VanDerWaalsContact C-N 3.34Å; E92-L94 PolarHBondContact O-N 2.94Å; E92-A95 WeakPolarHBondContact O-CB 3.27Å; E92-A95 PolarHBondContact O-N 3.1Å; E92-A95 VanDerWaalsContact O-N 3.14Å; E92-M96 WeakPolarHBondContact O-CG 3.42Å; E92-M96 PolarHBondContact O-N 2.69Å |
| 93 | D | 87.3 | Confident | 88.9 | Confident | 66 Ų | 66 | 98.5 Ų | 98.5 | 35% | 0.353 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.4 | -40.6 | 176.1 | -63 | -20.8 | 0 | 0 | 0 | 111.9 | Q89 M96 T97 | Q89-D93 PolarHBondContact NE2-OD1 3.35Å; Q89-D93 PolarHBondContact O-N 2.95Å; D93-M96 PolarHBondContact O-N 3.05Å; D93-M96 WeakPolarHBondContact OD1-CE 3.34Å; D93-T97 WeakPolarHBondContact O-CB 3.42Å; D93-T97 PolarHBondContact O-N 3.19Å; D93-T97 PolarHBondContact O-OG1 3.05Å |
| 94 | L | 89.6 | Confident | 89 | Confident | 89 Ų | 89 | 97.4 Ų | 97.4 | 47% | 0.466 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.1 | -38.7 | 174.3 | 179.3 | 62.3 | 0 | 0 | 0 | 112.1 | A90 H91 E92 T97 K98 | A90-L94 VanDerWaalsContact O-CB 3.28Å; A90-L94 WeakPolarHBondContact O-CB 3.49Å; A90-L94 PolarHBondContact O-N 2.93Å; A90-L94 VanDerWaalsContact O-N 3.1Å; H91-L94 PolarHBondContact O-N 2.95Å; E92-L94 VanDerWaalsContact C-N 3.34Å; E92-L94 PolarHBondContact O-N 2.94Å; L94-T97 PolarHBondContact O-N 3.33Å; L94-K98 WeakPolarHBondContact O-CG 3.32Å; L94-K98 PolarHBondContact O-N 3.43Å |
| 95 | A | 87.1 | Confident | 88.9 | Confident | 59 Ų | 59 | 95.5 Ų | 95.5 | 49% | 0.488 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.1 | -44.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | H91 E92 T97 K98 Q99 | H91-A95 WeakPolarHBondContact O-CB 3.44Å; H91-A95 PolarHBondContact O-N 3.09Å; E92-A95 WeakPolarHBondContact O-CB 3.27Å; E92-A95 PolarHBondContact O-N 3.1Å; E92-A95 VanDerWaalsContact O-N 3.14Å; A95-T97 VanDerWaalsContact C-N 3.34Å; A95-T97 PolarHBondContact O-N 3.18Å; A95-K98 PolarHBondContact O-N 2.83Å; A95-Q99 PolarHBondContact O-N 3.34Å |
| 96 | M | 89.9 | Confident | 89.1 | Confident | 108 Ų | 108 | 95.4 Ų | 95.4 | 53% | 0.532 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.7 | -44.4 | 173 | -69.2 | -168.5 | -70 | 0 | 0 | 111.6 | E92 D93 K98 Q99 C100 | E92-M96 WeakPolarHBondContact O-CG 3.42Å; E92-M96 PolarHBondContact O-N 2.69Å; D93-M96 PolarHBondContact O-N 3.05Å; D93-M96 WeakPolarHBondContact OD1-CE 3.34Å; M96-K98 PolarHBondContact O-N 3.33Å; M96-Q99 PolarHBondContact O-N 3.02Å; M96-C100 PolarHBondContact O-N 3.02Å; M96-C100 PolarHBondContact O-SG 3.13Å |
| 97 | T | 86.5 | Confident | 89.3 | Confident | 91 Ų | 91 | 93.8 Ų | 93.8 | 56% | 0.558 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.9 | -41.9 | 179.7 | -57.7 | 0 | 0 | 0 | 0 | 112 | D93 L94 A95 C100 L101 | D93-T97 WeakPolarHBondContact O-CB 3.42Å; D93-T97 PolarHBondContact O-N 3.19Å; D93-T97 PolarHBondContact O-OG1 3.05Å; L94-T97 PolarHBondContact O-N 3.33Å; A95-T97 VanDerWaalsContact C-N 3.34Å; A95-T97 PolarHBondContact O-N 3.18Å; T97-C100 PolarHBondContact O-N 2.97Å; T97-L101 PolarHBondContact O-N 2.93Å |
| 98 | K | 90.6 | Very high | 89.2 | Confident | 121 Ų | 121 | 91.7 Ų | 91.7 | 53% | 0.526 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.3 | -45.5 | 173.6 | -75.8 | 175.4 | 177.4 | -179.4 | 0 | 111.9 | L94 A95 M96 C100 L101 E102 | L94-K98 WeakPolarHBondContact O-CG 3.32Å; L94-K98 PolarHBondContact O-N 3.43Å; A95-K98 PolarHBondContact O-N 2.83Å; M96-K98 PolarHBondContact O-N 3.33Å; K98-C100 VanDerWaalsContact C-N 3.31Å; K98-C100 PolarHBondContact O-N 3.19Å; K98-L101 WeakPolarHBondContact O-CB 3.37Å; K98-L101 PolarHBondContact O-N 3.39Å; K98-E102 WeakPolarHBondContact O-CG 3.46Å; K98-E102 PolarHBondContact O-N 3.06Å |
| 99 | Q | 90.4 | Very high | 89.1 | Confident | 103 Ų | 103 | 90.4 Ų | 90.4 | 48% | 0.481 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.6 | -37.6 | 177.6 | -162.1 | -163.3 | 54.2 | 0 | 0 | 112.2 | A95 M96 K103 | A95-Q99 PolarHBondContact O-N 3.34Å; M96-Q99 PolarHBondContact O-N 3.02Å; Q99-K103 WeakPolarHBondContact O-CG 3.48Å; Q99-K103 PolarHBondContact O-N 3.14Å; Q99-K103 VanDerWaalsContact O-N 3.11Å |
| 100 | C | 89.3 | Confident | 89.1 | Confident | 65 Ų | 65 | 89.6 Ų | 89.6 | 44% | 0.439 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.2 | -42 | 173.5 | -74.4 | 0 | 0 | 0 | 0 | 112.1 | M96 T97 K98 E102 K103 I104 | M96-C100 PolarHBondContact O-N 3.02Å; M96-C100 PolarHBondContact O-SG 3.13Å; T97-C100 PolarHBondContact O-N 2.97Å; K98-C100 VanDerWaalsContact C-N 3.31Å; K98-C100 PolarHBondContact O-N 3.19Å; C100-E102 PolarHBondContact O-N 3.17Å; C100-K103 PolarHBondContact O-N 3.37Å; C100-I104 VanDerWaalsContact O-CG1 3.3Å; C100-I104 WeakPolarHBondContact O-CG1 3.32Å; C100-I104 PolarHBondContact O-N 3.02Å |
| 101 | L | 88.5 | Confident | 89.2 | Confident | 109 Ų | 109 | 91.2 Ų | 91.2 | 57% | 0.571 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.2 | -40.4 | 175.9 | -178.1 | 63.4 | 0 | 0 | 0 | 112.3 | T97 K98 I104 S105 | T97-L101 PolarHBondContact O-N 2.93Å; K98-L101 WeakPolarHBondContact O-CB 3.37Å; K98-L101 PolarHBondContact O-N 3.39Å; L101-I104 PolarHBondContact O-N 2.96Å; L101-S105 VanDerWaalsContact O-CB 3.31Å; L101-S105 WeakPolarHBondContact O-CB 3.5Å; L101-S105 PolarHBondContact O-N 2.59Å; L101-S105 PolarHBondContact O-OG 3.16Å |
| 102 | E | 88.3 | Confident | 89.3 | Confident | 134 Ų | 134 | 92.8 Ų | 92.8 | 63% | 0.626 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62 | -47 | 174.1 | -73.5 | 171.1 | -176.1 | 0 | 0 | 111.8 | K98 C100 I104 S105 A106 | K98-E102 WeakPolarHBondContact O-CG 3.46Å; K98-E102 PolarHBondContact O-N 3.06Å; C100-E102 PolarHBondContact O-N 3.17Å; E102-I104 PolarHBondContact O-N 3.34Å; E102-S105 PolarHBondContact O-N 2.9Å; E102-A106 WeakPolarHBondContact O-CB 3.4Å; E102-A106 PolarHBondContact O-N 2.9Å |
| 103 | K | 91.6 | Very high | 89.2 | Confident | 125 Ų | 125 | 93.4 Ų | 93.4 | 54% | 0.543 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.6 | -46.6 | 175.7 | -72.9 | 167.5 | -179.4 | 166 | 0 | 111.8 | Q99 C100 A106 E107 | Q99-K103 WeakPolarHBondContact O-CG 3.48Å; Q99-K103 PolarHBondContact O-N 3.14Å; Q99-K103 VanDerWaalsContact O-N 3.11Å; C100-K103 PolarHBondContact O-N 3.37Å; K103-A106 PolarHBondContact O-N 2.86Å; K103-E107 WeakPolarHBondContact O-CB 3.39Å; K103-E107 PolarHBondContact O-N 2.82Å |
| 104 | I | 88.7 | Confident | 89.4 | Confident | 103 Ų | 103 | 97.8 Ų | 97.8 | 53% | 0.528 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 177.4 | -68.7 | 165.6 | 0 | 0 | 0 | 110.7 | C100 L101 E102 A106 E107 C108 | C100-I104 VanDerWaalsContact O-CG1 3.3Å; C100-I104 WeakPolarHBondContact O-CG1 3.32Å; C100-I104 PolarHBondContact O-N 3.02Å; L101-I104 PolarHBondContact O-N 2.96Å; E102-I104 PolarHBondContact O-N 3.34Å; I104-A106 PolarHBondContact O-N 3.12Å; I104-E107 PolarHBondContact O-N 3.04Å; I104-C108 WeakPolarHBondContact O-CB 3.48Å; I104-C108 PolarHBondContact O-N 3.05Å; I104-C108 PolarHBondContact O-SG 3.35Å |
| 105 | S | 86.3 | Confident | 89.4 | Confident | 59 Ų | 59 | 99.9 Ų | 99.9 | 41% | 0.413 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 179.7 | -59.3 | 0 | 0 | 0 | 0 | 112 | L101 E102 C108 C109 | L101-S105 VanDerWaalsContact O-CB 3.31Å; L101-S105 WeakPolarHBondContact O-CB 3.5Å; L101-S105 PolarHBondContact O-N 2.59Å; L101-S105 PolarHBondContact O-OG 3.16Å; E102-S105 PolarHBondContact O-N 2.9Å; S105-C108 PolarHBondContact O-N 2.88Å; S105-C109 PolarHBondContact O-N 3.18Å; S105-C109 PolarHBondContact O-SG 3.17Å |
| 106 | A | 92.3 | Very high | 89.3 | Confident | 64 Ų | 64 | 102.5 Ų | 102.5 | 53% | 0.529 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.7 | -44.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E102 K103 I104 C109 R110 | E102-A106 WeakPolarHBondContact O-CB 3.4Å; E102-A106 PolarHBondContact O-N 2.9Å; K103-A106 PolarHBondContact O-N 2.86Å; I104-A106 PolarHBondContact O-N 3.12Å; A106-C109 PolarHBondContact O-N 3.44Å; A106-R110 WeakPolarHBondContact O-CB 3.29Å; A106-R110 PolarHBondContact O-N 2.95Å |
| 107 | E | 90.8 | Very high | 89.2 | Confident | 80 Ų | 80 | 101.4 Ų | 101.4 | 37% | 0.374 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.8 | -40.8 | 176.7 | -179.4 | 62.8 | -174.7 | 0 | 0 | 112.1 | K103 I104 C109 R110 L111 | K103-E107 WeakPolarHBondContact O-CB 3.39Å; K103-E107 PolarHBondContact O-N 2.82Å; I104-E107 PolarHBondContact O-N 3.04Å; E107-C109 VanDerWaalsContact C-N 3.35Å; E107-C109 PolarHBondContact O-N 3.37Å; E107-R110 VanDerWaalsContact CD-NH2 3.26Å; E107-R110 WeakPolarHBondContact O-CB 3.46Å; E107-R110 PolarHBondContact O-N 2.9Å; E107-R110 IonicContact OE1-CZ 2.68Å; E107-R110 IonicContact OE1-NE 3.26Å; E107-R110 IonicContact OE1-NH2 2.82Å; E107-R110 PolarHBondContact OE1-NH2 3.22Å; E107-R110 IonicContact OE2-CZ 3.67Å; E107-R110 VanDerWaalsContact OE2-CZ 3.26Å; E107-R110 IonicContact OE2-NE 3.29Å; E107-R110 PolarHBondContact OE2-NE 3.09Å; E107-R110 IonicContact OE2-NH2 3.41Å; E107-R110 PolarHBondContact OE2-NH2 3.28Å; E107-R110 VanDerWaalsContact OE2-NH2 3.17Å; E107-L111 HydrophobicContact CG-CD1 4.17Å; E107-L111 WeakPolarHBondContact O-CB 3.43Å; E107-L111 WeakPolarHBondContact O-CG 3.46Å; E107-L111 PolarHBondContact O-N 2.91Å |
| 108 | C | 87.9 | Confident | 89.4 | Confident | 60 Ų | 60 | 99.8 Ų | 99.8 | 41% | 0.405 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.5 | -41.2 | 172.9 | -73.4 | 0 | 0 | 0 | 0 | 112.4 | I104 S105 L111 K112 | I104-C108 WeakPolarHBondContact O-CB 3.48Å; I104-C108 PolarHBondContact O-N 3.05Å; I104-C108 PolarHBondContact O-SG 3.35Å; S105-C108 PolarHBondContact O-N 2.88Å; C108-L111 PolarHBondContact O-N 2.92Å; C108-K112 WeakPolarHBondContact O-CG 3.49Å; C108-K112 PolarHBondContact O-N 3.26Å |
| 109 | C | 90.2 | Very high | 89.2 | Confident | 83 Ų | 83 | 97.8 Ų | 97.8 | 56% | 0.561 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.3 | -44.5 | 173.6 | -72.4 | 0 | 0 | 0 | 0 | 111.5 | S105 A106 E107 L111 K112 Q113 | S105-C109 PolarHBondContact O-N 3.18Å; S105-C109 PolarHBondContact O-SG 3.17Å; A106-C109 PolarHBondContact O-N 3.44Å; E107-C109 VanDerWaalsContact C-N 3.35Å; E107-C109 PolarHBondContact O-N 3.37Å; C109-L111 VanDerWaalsContact C-N 3.32Å; C109-L111 PolarHBondContact O-N 2.97Å; C109-K112 PolarHBondContact O-N 3.37Å; C109-Q113 PolarHBondContact O-N 2.97Å |
| 110 | R | 89.5 | Confident | 89.2 | Confident | 79 Ų | 79 | 99.9 Ų | 99.9 | 30% | 0.298 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.4 | -36.6 | 177.5 | -158.3 | -162.8 | 56.7 | 56 | -13.2 | 112.6 | A106 E107 R114 | A106-R110 WeakPolarHBondContact O-CB 3.29Å; A106-R110 PolarHBondContact O-N 2.95Å; E107-R110 VanDerWaalsContact CD-NH2 3.26Å; E107-R110 WeakPolarHBondContact O-CB 3.46Å; E107-R110 PolarHBondContact O-N 2.9Å; E107-R110 IonicContact OE1-CZ 2.68Å; E107-R110 IonicContact OE1-NE 3.26Å; E107-R110 IonicContact OE1-NH2 2.82Å; E107-R110 PolarHBondContact OE1-NH2 3.22Å; E107-R110 IonicContact OE2-CZ 3.67Å; E107-R110 VanDerWaalsContact OE2-CZ 3.26Å; E107-R110 IonicContact OE2-NE 3.29Å; E107-R110 PolarHBondContact OE2-NE 3.09Å; E107-R110 IonicContact OE2-NH2 3.41Å; E107-R110 PolarHBondContact OE2-NH2 3.28Å; E107-R110 VanDerWaalsContact OE2-NH2 3.17Å; R110-R114 VanDerWaalsContact NH1-NE 3.12Å; R110-R114 PolarHBondContact O-N 3.22Å; R110-R114 VanDerWaalsContact O-N 3.14Å |
| 111 | L | 88.6 | Confident | 89.3 | Confident | 88 Ų | 88 | 101 Ų | 101 | 46% | 0.461 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -73.1 | -41.2 | 175.9 | -71.7 | 171.6 | 0 | 0 | 0 | 112.2 | E107 C108 C109 Q113 R114 K115 | E107-L111 HydrophobicContact CG-CD1 4.17Å; E107-L111 WeakPolarHBondContact O-CB 3.43Å; E107-L111 WeakPolarHBondContact O-CG 3.46Å; E107-L111 PolarHBondContact O-N 2.91Å; C108-L111 PolarHBondContact O-N 2.92Å; C109-L111 VanDerWaalsContact C-N 3.32Å; C109-L111 PolarHBondContact O-N 2.97Å; L111-Q113 VanDerWaalsContact C-N 3.29Å; L111-Q113 PolarHBondContact O-N 3.4Å; L111-R114 PolarHBondContact O-N 3.39Å; L111-K115 PolarHBondContact O-N 3.08Å |
| 112 | K | 90.8 | Very high | 89.3 | Confident | 150 Ų | 150 | 100.8 Ų | 100.8 | 65% | 0.652 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -56.7 | -43.7 | 171.8 | -76.9 | 175.7 | 178.7 | 179.9 | 0 | 111.6 | C108 C109 K115 M116 | C108-K112 WeakPolarHBondContact O-CG 3.49Å; C108-K112 PolarHBondContact O-N 3.26Å; C109-K112 PolarHBondContact O-N 3.37Å; K112-K115 PolarHBondContact O-N 2.91Å; K112-M116 PolarHBondContact O-N 3.27Å |
| 113 | Q | 88.9 | Confident | 89.4 | Confident | 126 Ų | 126 | 98.7 Ų | 98.7 | 59% | 0.589 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.3 | -44.6 | 177 | -168.9 | 176.3 | 7.2 | 0 | 0 | 112.3 | C109 L111 K115 M116 T117 | C109-Q113 PolarHBondContact O-N 2.97Å; L111-Q113 VanDerWaalsContact C-N 3.29Å; L111-Q113 PolarHBondContact O-N 3.4Å; Q113-K115 VanDerWaalsContact C-N 3.31Å; Q113-K115 PolarHBondContact O-N 2.95Å; Q113-M116 PolarHBondContact O-N 3.38Å; Q113-T117 PolarHBondContact O-N 2.88Å; Q113-T117 VanDerWaalsContact O-N 3.1Å; Q113-T117 PolarHBondContact O-OG1 3.28Å |
| 114 | R | 90.8 | Very high | 89.3 | Confident | 157 Ų | 157 | 96.7 Ų | 96.7 | 59% | 0.592 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.3 | -37.1 | 174.8 | -78.2 | -163.9 | -174.8 | 158.5 | 5.6 | 112.9 | R110 L111 T117 A118 | R110-R114 VanDerWaalsContact NH1-NE 3.12Å; R110-R114 PolarHBondContact O-N 3.22Å; R110-R114 VanDerWaalsContact O-N 3.14Å; L111-R114 PolarHBondContact O-N 3.39Å; R114-T117 WeakPolarHBondContact CA-OG1 3.45Å; R114-T117 PolarHBondContact O-N 3.43Å; R114-T117 PolarHBondContact O-OG1 3.23Å; R114-A118 PolarHBondContact O-N 2.85Å; R114-A118 VanDerWaalsContact O-N 3.08Å |
| 115 | K | 89.8 | Confident | 89.5 | Confident | 134 Ų | 134 | 95.7 Ų | 95.7 | 58% | 0.583 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.4 | -51.1 | 174.2 | -174.7 | 178.7 | 174.9 | -178.6 | 0 | 110.9 | L111 K112 Q113 T117 A118 D119 | L111-K115 PolarHBondContact O-N 3.08Å; K112-K115 PolarHBondContact O-N 2.91Å; Q113-K115 VanDerWaalsContact C-N 3.31Å; Q113-K115 PolarHBondContact O-N 2.95Å; K115-T117 PolarHBondContact O-N 2.87Å; K115-T117 VanDerWaalsContact O-N 3.15Å; K115-A118 WeakPolarHBondContact O-CB 3.39Å; K115-A118 PolarHBondContact O-N 3.02Å; K115-D119 WeakPolarHBondContact CE-OD2 3.47Å; K115-D119 VanDerWaalsContact O-CG 3.24Å; K115-D119 PolarHBondContact O-N 2.98Å |
| 116 | M | 85.6 | Confident | 89.8 | Confident | 114 Ų | 114 | 99.2 Ų | 99.2 | 56% | 0.562 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -58.8 | -29.1 | 177.9 | -69 | -167.2 | -60.1 | 0 | 0 | 113.8 | K112 Q113 K120 | K112-M116 PolarHBondContact O-N 3.27Å; Q113-M116 PolarHBondContact O-N 3.38Å; M116-K120 VanDerWaalsContact O-CG 3.27Å; M116-K120 WeakPolarHBondContact O-CG 3.47Å; M116-K120 PolarHBondContact O-N 3.27Å |
| 117 | T | 88.7 | Confident | 89.8 | Confident | 85 Ų | 85 | 100.6 Ų | 100.6 | 52% | 0.521 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -75.5 | -35.6 | 172.8 | 49 | 0 | 0 | 0 | 0 | 113 | Q113 R114 K115 E121 | Q113-T117 PolarHBondContact O-N 2.88Å; Q113-T117 VanDerWaalsContact O-N 3.1Å; Q113-T117 PolarHBondContact O-OG1 3.28Å; R114-T117 WeakPolarHBondContact CA-OG1 3.45Å; R114-T117 PolarHBondContact O-N 3.43Å; R114-T117 PolarHBondContact O-OG1 3.23Å; K115-T117 PolarHBondContact O-N 2.87Å; K115-T117 VanDerWaalsContact O-N 3.15Å; T117-E121 PolarHBondContact O-N 2.92Å; T117-E121 VanDerWaalsContact O-N 3.14Å |
| 118 | A | 89.1 | Confident | 90 | Very high | 57 Ų | 57 | 102.2 Ų | 102.2 | 47% | 0.471 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.1 | -47.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | R114 K115 K120 E121 E122 | R114-A118 PolarHBondContact O-N 2.85Å; R114-A118 VanDerWaalsContact O-N 3.08Å; K115-A118 WeakPolarHBondContact O-CB 3.39Å; K115-A118 PolarHBondContact O-N 3.02Å; A118-K120 PolarHBondContact O-N 3.45Å; A118-E121 PolarHBondContact O-N 2.89Å; A118-E121 VanDerWaalsContact O-N 3.08Å; A118-E122 PolarHBondContact O-N 2.65Å |
| 119 | D | 87.7 | Confident | 90.3 | Very high | 78 Ų | 78 | 103.8 Ų | 103.8 | 42% | 0.417 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -56.5 | -36.1 | 177.1 | -58.7 | -13 | 0 | 0 | 0 | 111.1 | K115 E123 | K115-D119 WeakPolarHBondContact CE-OD2 3.47Å; K115-D119 VanDerWaalsContact O-CG 3.24Å; K115-D119 PolarHBondContact O-N 2.98Å; D119-E123 PolarHBondContact O-N 3.24Å |
| 120 | K | 90.6 | Very high | 90.4 | Very high | 148 Ų | 148 | 103.8 Ų | 103.8 | 64% | 0.643 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -72.3 | -37.5 | 175.5 | -77.4 | 179.1 | -179.1 | -171.1 | 0 | 114.2 | M116 A118 E123 L124 | M116-K120 VanDerWaalsContact O-CG 3.27Å; M116-K120 WeakPolarHBondContact O-CG 3.47Å; M116-K120 PolarHBondContact O-N 3.27Å; A118-K120 PolarHBondContact O-N 3.45Å; K120-E123 PolarHBondContact O-N 2.87Å; K120-L124 WeakPolarHBondContact O-CG 3.32Å; K120-L124 PolarHBondContact O-N 3.49Å |
| 121 | E | 89.7 | Confident | 90.6 | Very high | 89 Ų | 89 | 104.7 Ų | 104.7 | 42% | 0.416 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -72 | -34.5 | 177.4 | -169.7 | 61.3 | -148.8 | 0 | 0 | 111.2 | T117 A118 E123 L124 Q125 R128 | T117-E121 PolarHBondContact O-N 2.92Å; T117-E121 VanDerWaalsContact O-N 3.14Å; A118-E121 PolarHBondContact O-N 2.89Å; A118-E121 VanDerWaalsContact O-N 3.08Å; E121-E123 VanDerWaalsContact C-N 3.33Å; E121-E123 PolarHBondContact O-N 3.44Å; E121-L124 PolarHBondContact O-N 3.31Å; E121-Q125 WeakPolarHBondContact O-CB 3.28Å; E121-Q125 PolarHBondContact O-N 2.9Å; E121-R128 IonicContact OE1-CZ 2.77Å; E121-R128 VanDerWaalsContact OE1-CZ 3.29Å; E121-R128 IonicContact OE1-NH1 3.45Å; E121-R128 PolarHBondContact OE1-NH1 2.77Å; E121-R128 IonicContact OE1-NH2 2.75Å; E121-R128 PolarHBondContact OE1-NH2 3.13Å |
| 122 | E | 90 | Very high | 90.9 | Very high | 103 Ų | 103 | 104.1 Ų | 104.1 | 48% | 0.481 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.2 | -43.3 | 172.2 | -164.3 | -170.2 | 130.2 | 0 | 0 | 111.3 | A118 Q125 R126 | A118-E122 PolarHBondContact O-N 2.65Å; E122-Q125 PolarHBondContact O-N 2.77Å; E122-R126 PolarHBondContact O-N 3.04Å; E122-R126 IonicContact OE1-CZ 3.73Å; E122-R126 IonicContact OE1-NH1 3Å; E122-R126 PolarHBondContact OE1-NH1 3.33Å; E122-R126 IonicContact OE1-NH2 3.74Å; E122-R126 PolarHBondContact OE1-NH2 2.98Å |
| 123 | E | 89.2 | Confident | 90.9 | Very high | 91 Ų | 91 | 102.1 Ų | 102.1 | 43% | 0.425 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.2 | -40.6 | 176.7 | -170.7 | 55.4 | -154.2 | 0 | 0 | 112.7 | D119 K120 E121 Q125 R126 L127 | D119-E123 PolarHBondContact O-N 3.24Å; K120-E123 PolarHBondContact O-N 2.87Å; E121-E123 VanDerWaalsContact C-N 3.33Å; E121-E123 PolarHBondContact O-N 3.44Å; E123-Q125 PolarHBondContact O-N 3.34Å; E123-R126 WeakPolarHBondContact O-CB 3.25Å; E123-R126 PolarHBondContact O-N 2.89Å; E123-R126 IonicContact OE2-NH1 3.17Å; E123-L127 WeakPolarHBondContact O-CG 3.42Å; E123-L127 PolarHBondContact O-N 3.38Å |
| 124 | L | 90.7 | Very high | 91 | Very high | 82 Ų | 82 | 103 Ų | 103 | 43% | 0.429 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58 | -37.9 | 170.3 | -77.1 | 170.2 | 0 | 0 | 0 | 111.6 | K120 E121 L127 R128 | K120-L124 WeakPolarHBondContact O-CG 3.32Å; K120-L124 PolarHBondContact O-N 3.49Å; E121-L124 PolarHBondContact O-N 3.31Å; L124-L127 PolarHBondContact O-N 3Å; L124-R128 VanDerWaalsContact O-CG 3.29Å; L124-R128 WeakPolarHBondContact O-CG 3.34Å; L124-R128 PolarHBondContact O-N 3.43Å |
| 125 | Q | 92.7 | Very high | 91 | Very high | 82 Ų | 82 | 98.9 Ų | 98.9 | 38% | 0.383 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -70.9 | -36.5 | 176.9 | -166.2 | 60.8 | 24.5 | 0 | 0 | 112.6 | E121 E122 E123 R128 N129 | E121-Q125 WeakPolarHBondContact O-CB 3.28Å; E121-Q125 PolarHBondContact O-N 2.9Å; E122-Q125 PolarHBondContact O-N 2.77Å; E123-Q125 PolarHBondContact O-N 3.34Å; Q125-R128 PolarHBondContact O-N 3.01Å; Q125-N129 WeakPolarHBondContact O-CB 3.4Å; Q125-N129 VanDerWaalsContact O-CG 3.24Å; Q125-N129 PolarHBondContact O-N 2.67Å; Q125-N129 PolarHBondContact O-ND2 2.94Å |
| 126 | R | 92.3 | Very high | 91.2 | Very high | 134 Ų | 134 | 98.6 Ų | 98.6 | 51% | 0.506 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.1 | -47.9 | 168.6 | -74.7 | -167.3 | 177.9 | 81.7 | 13.2 | 111.5 | E122 E123 R128 N129 L130 | E122-R126 PolarHBondContact O-N 3.04Å; E122-R126 IonicContact OE1-CZ 3.73Å; E122-R126 IonicContact OE1-NH1 3Å; E122-R126 PolarHBondContact OE1-NH1 3.33Å; E122-R126 IonicContact OE1-NH2 3.74Å; E122-R126 PolarHBondContact OE1-NH2 2.98Å; E123-R126 WeakPolarHBondContact O-CB 3.25Å; E123-R126 PolarHBondContact O-N 2.89Å; E123-R126 IonicContact OE2-NH1 3.17Å; R126-R128 PolarHBondContact O-N 2.93Å; R126-N129 PolarHBondContact O-N 3.02Å; R126-L130 WeakPolarHBondContact O-CB 3.49Å; R126-L130 PolarHBondContact O-N 3.03Å |
| 127 | L | 92.9 | Very high | 91.5 | Very high | 93 Ų | 93 | 96.3 Ų | 96.3 | 49% | 0.487 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64 | -39.9 | 179.3 | -68.8 | 172.1 | 0 | 0 | 0 | 112.6 | E123 L124 L130 N131 | E123-L127 WeakPolarHBondContact O-CG 3.42Å; E123-L127 PolarHBondContact O-N 3.38Å; L124-L127 PolarHBondContact O-N 3Å; L127-L130 PolarHBondContact O-N 3.39Å; L127-N131 WeakPolarHBondContact O-CB 3.46Å; L127-N131 PolarHBondContact O-N 3.32Å |
| 128 | R | 94.3 | Very high | 91.6 | Very high | 114 Ų | 114 | 96.8 Ų | 96.8 | 43% | 0.43 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.2 | -46.8 | 172.3 | -72.7 | 170.4 | -167.7 | 143 | 5.4 | 111.4 | E121 L124 Q125 R126 L130 N131 V132 | E121-R128 IonicContact OE1-CZ 2.77Å; E121-R128 VanDerWaalsContact OE1-CZ 3.29Å; E121-R128 IonicContact OE1-NH1 3.45Å; E121-R128 PolarHBondContact OE1-NH1 2.77Å; E121-R128 IonicContact OE1-NH2 2.75Å; E121-R128 PolarHBondContact OE1-NH2 3.13Å; L124-R128 VanDerWaalsContact O-CG 3.29Å; L124-R128 WeakPolarHBondContact O-CG 3.34Å; L124-R128 PolarHBondContact O-N 3.43Å; Q125-R128 PolarHBondContact O-N 3.01Å; R126-R128 PolarHBondContact O-N 2.93Å; R128-L130 PolarHBondContact O-N 3.34Å; R128-N131 PolarHBondContact O-N 2.96Å; R128-V132 WeakPolarHBondContact O-CG2 3.5Å; R128-V132 PolarHBondContact O-N 3.01Å |
| 129 | N | 93.5 | Very high | 91.7 | Very high | 93 Ų | 93 | 96.7 Ų | 96.7 | 50% | 0.497 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63 | -42 | 178.2 | -71 | -13.7 | 0 | 0 | 0 | 112 | Q125 R126 V132 Q133 | Q125-N129 WeakPolarHBondContact O-CB 3.4Å; Q125-N129 VanDerWaalsContact O-CG 3.24Å; Q125-N129 PolarHBondContact O-N 2.67Å; Q125-N129 PolarHBondContact O-ND2 2.94Å; R126-N129 PolarHBondContact O-N 3.02Å; N129-V132 PolarHBondContact O-N 3.48Å; N129-Q133 PolarHBondContact O-N 2.98Å |
| 130 | L | 93.6 | Very high | 91.9 | Very high | 82 Ų | 82 | 96 Ų | 96 | 43% | 0.429 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.9 | -40.9 | 176.6 | -177.8 | 62.2 | 0 | 0 | 0 | 111.9 | R126 L127 R128 Q133 Y134 | R126-L130 WeakPolarHBondContact O-CB 3.49Å; R126-L130 PolarHBondContact O-N 3.03Å; L127-L130 PolarHBondContact O-N 3.39Å; R128-L130 PolarHBondContact O-N 3.34Å; L130-Q133 PolarHBondContact O-N 3.41Å; L130-Y134 HydrophobicContact CD1-CD2 4.36Å; L130-Y134 HydrophobicContact CD1-CE2 3.84Å; L130-Y134 HydrophobicContact CD2-CE2 3.97Å; L130-Y134 HydrophobicContact CG-CD2 4.02Å; L130-Y134 HydrophobicContact CG-CE2 3.57Å; L130-Y134 WeakPolarHBondContact O-CD2 3.44Å; L130-Y134 PolarHBondContact O-N 3.3Å |
| 131 | N | 93.1 | Very high | 91.8 | Very high | 99 Ų | 99 | 95.7 Ų | 95.7 | 53% | 0.529 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 174.4 | -169.1 | -21.5 | 0 | 0 | 0 | 111.5 | L127 R128 Q133 Y134 C135 | L127-N131 WeakPolarHBondContact O-CB 3.46Å; L127-N131 PolarHBondContact O-N 3.32Å; R128-N131 PolarHBondContact O-N 2.96Å; N131-Q133 VanDerWaalsContact C-N 3.31Å; N131-Q133 PolarHBondContact O-N 3.46Å; N131-Y134 PolarHBondContact O-N 3.23Å; N131-C135 WeakPolarHBondContact O-CB 3.38Å; N131-C135 PolarHBondContact O-N 2.88Å; N131-C135 PolarHBondContact O-SG 3.41Å; N131-C135 PolarHBondContact OD1-SG 3.04Å; N131-C135 VanDerWaalsContact OD1-SG 3.39Å |
| 132 | V | 94.4 | Very high | 91.9 | Very high | 76 Ų | 76 | 97.7 Ų | 97.7 | 46% | 0.461 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.8 | -39.1 | 173.4 | 170.9 | 0 | 0 | 0 | 0 | 111.9 | R128 N129 C135 K136 | R128-V132 WeakPolarHBondContact O-CG2 3.5Å; R128-V132 PolarHBondContact O-N 3.01Å; N129-V132 PolarHBondContact O-N 3.48Å; V132-C135 PolarHBondContact O-N 2.86Å; V132-K136 WeakPolarHBondContact O-CG 3.39Å; V132-K136 PolarHBondContact O-N 2.96Å |
| 133 | Q | 91.4 | Very high | 91.8 | Very high | 107 Ų | 107 | 97.6 Ų | 97.6 | 50% | 0.5 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.4 | -47.3 | 174.6 | -65.9 | -70.1 | 29.4 | 0 | 0 | 111.8 | N129 L130 N131 C135 K136 T137 | N129-Q133 PolarHBondContact O-N 2.98Å; L130-Q133 PolarHBondContact O-N 3.41Å; N131-Q133 VanDerWaalsContact C-N 3.31Å; N131-Q133 PolarHBondContact O-N 3.46Å; Q133-C135 VanDerWaalsContact C-N 3.29Å; Q133-C135 PolarHBondContact O-N 3.31Å; Q133-K136 WeakPolarHBondContact O-CB 3.32Å; Q133-K136 PolarHBondContact O-N 3.07Å; Q133-K136 VanDerWaalsContact O-N 3.09Å; Q133-T137 PolarHBondContact O-N 3.32Å; Q133-T137 PolarHBondContact O-OG1 3.48Å; Q133-T137 VanDerWaalsContact O-OG1 3.14Å |
| 134 | Y | 90.5 | Very high | 91.8 | Very high | 144 Ų | 144 | 97.4 Ų | 97.4 | 57% | 0.565 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -57.8 | -41 | 174.6 | -73.3 | -51.1 | 0 | 0 | 0 | 112.3 | L130 N131 K136 T137 I138 | L130-Y134 HydrophobicContact CD1-CD2 4.36Å; L130-Y134 HydrophobicContact CD1-CE2 3.84Å; L130-Y134 HydrophobicContact CD2-CE2 3.97Å; L130-Y134 HydrophobicContact CG-CD2 4.02Å; L130-Y134 HydrophobicContact CG-CE2 3.57Å; L130-Y134 WeakPolarHBondContact O-CD2 3.44Å; L130-Y134 PolarHBondContact O-N 3.3Å; N131-Y134 PolarHBondContact O-N 3.23Å; Y134-K136 PolarHBondContact O-N 2.88Å; Y134-T137 PolarHBondContact O-N 2.86Å; Y134-I138 WeakPolarHBondContact O-CB 3.37Å; Y134-I138 WeakPolarHBondContact O-CD1 3.38Å; Y134-I138 WeakPolarHBondContact O-CG1 3.38Å; Y134-I138 PolarHBondContact O-N 2.93Å |
| 135 | C | 92.4 | Very high | 91.7 | Very high | 71 Ų | 71 | 97.1 Ų | 97.1 | 48% | 0.48 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.5 | -43.6 | 174.6 | -69.2 | 0 | 0 | 0 | 0 | 112.3 | N131 V132 Q133 I138 A139 | N131-C135 WeakPolarHBondContact O-CB 3.38Å; N131-C135 PolarHBondContact O-N 2.88Å; N131-C135 PolarHBondContact O-SG 3.41Å; N131-C135 PolarHBondContact OD1-SG 3.04Å; N131-C135 VanDerWaalsContact OD1-SG 3.39Å; V132-C135 PolarHBondContact O-N 2.86Å; Q133-C135 VanDerWaalsContact C-N 3.29Å; Q133-C135 PolarHBondContact O-N 3.31Å; C135-I138 PolarHBondContact O-N 3.14Å; C135-A139 WeakPolarHBondContact O-CB 3.42Å; C135-A139 PolarHBondContact O-N 3.22Å |
| 136 | K | 93.4 | Very high | 91.4 | Very high | 128 Ų | 128 | 94 Ų | 94 | 56% | 0.557 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -64 | -44.9 | 175 | -71.9 | 174.3 | -179.4 | -179.7 | 0 | 112.1 | V132 Q133 Y134 I138 A139 A140 | V132-K136 WeakPolarHBondContact O-CG 3.39Å; V132-K136 PolarHBondContact O-N 2.96Å; Q133-K136 WeakPolarHBondContact O-CB 3.32Å; Q133-K136 PolarHBondContact O-N 3.07Å; Q133-K136 VanDerWaalsContact O-N 3.09Å; Y134-K136 PolarHBondContact O-N 2.88Å; K136-I138 PolarHBondContact O-N 2.88Å; K136-A139 PolarHBondContact O-N 3.29Å; K136-A140 PolarHBondContact O-N 3.2Å |
| 137 | T | 91.5 | Very high | 91.1 | Very high | 66 Ų | 66 | 90.1 Ų | 90.1 | 41% | 0.405 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.2 | -42.6 | 177.6 | -58.2 | 0 | 0 | 0 | 0 | 111.5 | Q133 Y134 A140 Y141 | Q133-T137 PolarHBondContact O-N 3.32Å; Q133-T137 PolarHBondContact O-OG1 3.48Å; Q133-T137 VanDerWaalsContact O-OG1 3.14Å; Y134-T137 PolarHBondContact O-N 2.86Å; T137-A140 PolarHBondContact O-N 3.21Å; T137-Y141 HydrophobicContact CG2-CD2 3.78Å; T137-Y141 HydrophobicContact CG2-CE2 3.54Å; T137-Y141 VanDerWaalsContact O-CD2 3.23Å; T137-Y141 WeakPolarHBondContact O-CD2 3.37Å; T137-Y141 PolarHBondContact O-N 3.41Å |
| 138 | I | 90.7 | Very high | 90.8 | Very high | 95 Ų | 95 | 91.8 Ų | 91.8 | 49% | 0.487 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63 | -41.3 | 174.9 | -69.5 | 163.8 | 0 | 0 | 0 | 111 | Y134 C135 K136 Y141 K142 | Y134-I138 WeakPolarHBondContact O-CB 3.37Å; Y134-I138 WeakPolarHBondContact O-CD1 3.38Å; Y134-I138 WeakPolarHBondContact O-CG1 3.38Å; Y134-I138 PolarHBondContact O-N 2.93Å; C135-I138 PolarHBondContact O-N 3.14Å; K136-I138 PolarHBondContact O-N 2.88Å; I138-Y141 PolarHBondContact O-N 2.9Å; I138-K142 HydrophobicContact CG2-CD 4.43Å; I138-K142 WeakPolarHBondContact O-CG 3.49Å; I138-K142 PolarHBondContact O-N 3.24Å |
| 139 | A | 91.5 | Very high | 90.5 | Very high | 56 Ų | 56 | 91.3 Ų | 91.3 | 46% | 0.463 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.1 | -43.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | C135 K136 K142 Q143 | C135-A139 WeakPolarHBondContact O-CB 3.42Å; C135-A139 PolarHBondContact O-N 3.22Å; K136-A139 PolarHBondContact O-N 3.29Å; A139-K142 PolarHBondContact O-N 3.38Å; A139-Q143 PolarHBondContact O-N 2.98Å |
| 140 | A | 91.1 | Very high | 90.1 | Very high | 63 Ų | 63 | 92.1 Ų | 92.1 | 52% | 0.521 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | K136 T137 Q143 L144 | K136-A140 PolarHBondContact O-N 3.2Å; T137-A140 PolarHBondContact O-N 3.21Å; A140-Q143 PolarHBondContact O-N 3.37Å; A140-L144 WeakPolarHBondContact O-CB 3.46Å; A140-L144 PolarHBondContact O-N 3.26Å |
| 141 | Y | 89.8 | Confident | 89.7 | Confident | 141 Ų | 141 | 95.2 Ų | 95.2 | 55% | 0.553 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -63.1 | -41.1 | 174 | -82.6 | -59.3 | 0 | 0 | 0 | 112.5 | T137 I138 L144 V145 | T137-Y141 HydrophobicContact CG2-CD2 3.78Å; T137-Y141 HydrophobicContact CG2-CE2 3.54Å; T137-Y141 VanDerWaalsContact O-CD2 3.23Å; T137-Y141 WeakPolarHBondContact O-CD2 3.37Å; T137-Y141 PolarHBondContact O-N 3.41Å; I138-Y141 PolarHBondContact O-N 2.9Å; Y141-L144 PolarHBondContact O-N 3.02Å; Y141-V145 WeakPolarHBondContact O-CG2 3.4Å; Y141-V145 PolarHBondContact O-N 2.77Å |
| 142 | K | 91.2 | Very high | 89.4 | Confident | 131 Ų | 131 | 94.5 Ų | 94.5 | 57% | 0.57 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -60.6 | -46.4 | 174.7 | -76.3 | 179.8 | 175.4 | -172.4 | 0 | 111.7 | I138 A139 L144 V145 S146 | I138-K142 HydrophobicContact CG2-CD 4.43Å; I138-K142 WeakPolarHBondContact O-CG 3.49Å; I138-K142 PolarHBondContact O-N 3.24Å; A139-K142 PolarHBondContact O-N 3.38Å; K142-L144 PolarHBondContact O-N 2.99Å; K142-V145 PolarHBondContact O-N 2.91Å; K142-S146 PolarHBondContact O-N 3.24Å; K142-S146 PolarHBondContact O-OG 3.46Å |
| 143 | Q | 88.4 | Confident | 88.9 | Confident | 101 Ų | 101 | 94.7 Ų | 94.7 | 47% | 0.472 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.6 | -46.1 | 176.4 | -174.7 | 62.1 | 34.9 | 0 | 0 | 111.6 | A139 A140 V145 S146 D147 | A139-Q143 PolarHBondContact O-N 2.98Å; A140-Q143 PolarHBondContact O-N 3.37Å; Q143-V145 VanDerWaalsContact C-N 3.3Å; Q143-V145 PolarHBondContact O-N 3.46Å; Q143-S146 PolarHBondContact O-N 3.35Å; Q143-D147 PolarHBondContact NE2-OD1 2.96Å; Q143-D147 PolarHBondContact NE2-OD2 3.38Å; Q143-D147 WeakPolarHBondContact O-CB 3.39Å; Q143-D147 VanDerWaalsContact O-CG 3.29Å; Q143-D147 PolarHBondContact O-N 3.24Å |
| 144 | L | 88.2 | Confident | 88.6 | Confident | 87 Ų | 87 | 93 Ų | 93 | 46% | 0.455 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.8 | -36.7 | 177.5 | -175.8 | 69.4 | 0 | 0 | 0 | 112.7 | A140 Y141 K142 K148 | A140-L144 WeakPolarHBondContact O-CB 3.46Å; A140-L144 PolarHBondContact O-N 3.26Å; Y141-L144 PolarHBondContact O-N 3.02Å; K142-L144 PolarHBondContact O-N 2.99Å; L144-K148 WeakPolarHBondContact O-CG 2.92Å; L144-K148 PolarHBondContact O-N 3.33Å; L144-K148 VanDerWaalsContact O-N 3.17Å |
| 145 | V | 88.9 | Confident | 88.3 | Confident | 76 Ų | 76 | 91.2 Ų | 91.2 | 46% | 0.461 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.9 | -51 | 173.9 | 169.8 | 0 | 0 | 0 | 0 | 110.2 | Y141 K142 Q143 D147 K148 E149 | Y141-V145 WeakPolarHBondContact O-CG2 3.4Å; Y141-V145 PolarHBondContact O-N 2.77Å; K142-V145 PolarHBondContact O-N 2.91Å; Q143-V145 VanDerWaalsContact C-N 3.3Å; Q143-V145 PolarHBondContact O-N 3.46Å; V145-D147 VanDerWaalsContact C-N 3.31Å; V145-D147 PolarHBondContact O-N 3.44Å; V145-K148 CarbonylContact O-C 3.59Å; V145-K148 WeakPolarHBondContact O-CA 3.43Å; V145-K148 WeakPolarHBondContact O-CB 3.27Å; V145-K148 PolarHBondContact O-N 2.91Å; V145-E149 HydrophobicContact CG1-CG 4.34Å; V145-E149 WeakPolarHBondContact O-CG 3.3Å; V145-E149 PolarHBondContact O-N 2.91Å |
| 146 | S | 86.9 | Confident | 88 | Confident | 18 Ų | 18 | 92.2 Ų | 92.2 | 13% | 0.126 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -64.7 | -31.3 | 180 | -61.4 | 0 | 0 | 0 | 0 | 113.7 | K142 Q143 E149 R150 | K142-S146 PolarHBondContact O-N 3.24Å; K142-S146 PolarHBondContact O-OG 3.46Å; Q143-S146 PolarHBondContact O-N 3.35Å; S146-E149 WeakPolarHBondContact CA-OE2 3.47Å; S146-E149 PolarHBondContact O-N 3.43Å; S146-R150 PolarHBondContact O-N 2.98Å |
| 147 | D | 85.3 | Confident | 87.5 | Confident | 51 Ų | 51 | 92.2 Ų | 92.2 | 27% | 0.273 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -68.8 | -35 | 171.6 | -70.6 | -25.7 | 0 | 0 | 0 | 112.1 | Q143 V145 R150 K151 | Q143-D147 PolarHBondContact NE2-OD1 2.96Å; Q143-D147 PolarHBondContact NE2-OD2 3.38Å; Q143-D147 WeakPolarHBondContact O-CB 3.39Å; Q143-D147 VanDerWaalsContact O-CG 3.29Å; Q143-D147 PolarHBondContact O-N 3.24Å; V145-D147 VanDerWaalsContact C-N 3.31Å; V145-D147 PolarHBondContact O-N 3.44Å; D147-R150 IonicContact OD1-CZ 2.74Å; D147-R150 IonicContact OD1-NH1 3.91Å; D147-R150 PolarHBondContact OD1-NH1 3.28Å; D147-R150 IonicContact OD1-NH2 2.9Å; D147-R150 PolarHBondContact OD1-NH2 2.91Å; D147-K151 VanDerWaalsContact O-CG 3.29Å; D147-K151 WeakPolarHBondContact O-CG 3.4Å; D147-K151 PolarHBondContact O-N 3.34Å; D147-K151 VanDerWaalsContact O-N 3.13Å |
| 148 | K | 87.1 | Confident | 87 | Confident | 128 Ų | 128 | 92.7 Ų | 92.7 | 56% | 0.557 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -69.5 | -41 | 171.5 | -75.6 | 175.6 | 178.1 | -177.3 | 0 | 111.7 | L144 V145 K151 V152 | L144-K148 WeakPolarHBondContact O-CG 2.92Å; L144-K148 PolarHBondContact O-N 3.33Å; L144-K148 VanDerWaalsContact O-N 3.17Å; V145-K148 CarbonylContact O-C 3.59Å; V145-K148 WeakPolarHBondContact O-CA 3.43Å; V145-K148 WeakPolarHBondContact O-CB 3.27Å; V145-K148 PolarHBondContact O-N 2.91Å; K148-K151 WeakPolarHBondContact O-CB 3.45Å; K148-K151 PolarHBondContact O-N 3.4Å; K148-V152 WeakPolarHBondContact O-CG2 3.36Å; K148-V152 PolarHBondContact O-N 2.92Å |
| 149 | E | 88 | Confident | 86.4 | Confident | 104 Ų | 104 | 91.7 Ų | 91.7 | 49% | 0.486 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.1 | -47 | 175.8 | -70.2 | 172.9 | 143 | 0 | 0 | 111.5 | V145 S146 K151 V152 E153 | V145-E149 HydrophobicContact CG1-CG 4.34Å; V145-E149 WeakPolarHBondContact O-CG 3.3Å; V145-E149 PolarHBondContact O-N 2.91Å; S146-E149 WeakPolarHBondContact CA-OE2 3.47Å; S146-E149 PolarHBondContact O-N 3.43Å; E149-K151 VanDerWaalsContact C-N 3.31Å; E149-K151 PolarHBondContact O-N 3.49Å; E149-V152 PolarHBondContact O-N 3.25Å; E149-V152 VanDerWaalsContact O-N 3.15Å; E149-E153 PolarHBondContact O-N 3.06Å |
| 150 | R | 85.3 | Confident | 85.8 | Confident | 110 Ų | 110 | 93.2 Ų | 93.2 | 42% | 0.415 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -57.9 | -41.2 | 172.8 | -95.6 | -174.9 | -86.2 | 97.9 | 7.4 | 112.3 | S146 D147 E153 V154 | S146-R150 PolarHBondContact O-N 2.98Å; D147-R150 IonicContact OD1-CZ 2.74Å; D147-R150 IonicContact OD1-NH1 3.91Å; D147-R150 PolarHBondContact OD1-NH1 3.28Å; D147-R150 IonicContact OD1-NH2 2.9Å; D147-R150 PolarHBondContact OD1-NH2 2.91Å; R150-E153 PolarHBondContact O-N 3.14Å; R150-V154 WeakPolarHBondContact O-CG2 3.48Å; R150-V154 PolarHBondContact O-N 3.3Å |
| 151 | K | 85.2 | Confident | 85.1 | Confident | 147 Ų | 147 | 99.1 Ų | 99.1 | 64% | 0.639 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -62.8 | -43.9 | 174.5 | -75.8 | 173 | -179.6 | -177 | 0 | 112.2 | D147 K148 E149 E153 V154 L155 | D147-K151 VanDerWaalsContact O-CG 3.29Å; D147-K151 WeakPolarHBondContact O-CG 3.4Å; D147-K151 PolarHBondContact O-N 3.34Å; D147-K151 VanDerWaalsContact O-N 3.13Å; K148-K151 WeakPolarHBondContact O-CB 3.45Å; K148-K151 PolarHBondContact O-N 3.4Å; E149-K151 VanDerWaalsContact C-N 3.31Å; E149-K151 PolarHBondContact O-N 3.49Å; K151-E153 VanDerWaalsContact C-N 3.35Å; K151-E153 PolarHBondContact O-N 2.83Å; K151-V154 PolarHBondContact O-N 3.25Å; K151-L155 WeakPolarHBondContact O-CB 3.27Å; K151-L155 VanDerWaalsContact O-CG 3.28Å; K151-L155 WeakPolarHBondContact O-CG 3.44Å; K151-L155 PolarHBondContact O-N 3.42Å |
| 152 | V | 85.9 | Confident | 84.1 | Confident | 84 Ų | 84 | 93.3 Ų | 93.3 | 51% | 0.509 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.3 | -42.7 | 175.4 | 169.7 | 0 | 0 | 0 | 0 | 111.1 | K148 E149 L155 L156 | K148-V152 WeakPolarHBondContact O-CG2 3.36Å; K148-V152 PolarHBondContact O-N 2.92Å; E149-V152 PolarHBondContact O-N 3.25Å; E149-V152 VanDerWaalsContact O-N 3.15Å; V152-L155 WeakPolarHBondContact O-CB 3.48Å; V152-L155 PolarHBondContact O-N 3.39Å; V152-L156 HydrophobicContact CG1-CD1 4.05Å; V152-L156 HydrophobicContact CG1-CG 4.47Å; V152-L156 WeakPolarHBondContact O-CG 3.34Å; V152-L156 PolarHBondContact O-N 3.05Å |
| 153 | E | 85 | Confident | 83 | Confident | 80 Ų | 80 | 96 Ų | 96 | 37% | 0.374 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -70.2 | -36.5 | 179.5 | -167 | -177.7 | -127.1 | 0 | 0 | 113.3 | E149 R150 K151 L156 R157 | E149-E153 PolarHBondContact O-N 3.06Å; R150-E153 PolarHBondContact O-N 3.14Å; K151-E153 VanDerWaalsContact C-N 3.35Å; K151-E153 PolarHBondContact O-N 2.83Å; E153-L156 PolarHBondContact O-N 3.26Å; E153-R157 PolarHBondContact O-N 3.1Å; E153-R157 IonicContact OE2-CZ 3.65Å; E153-R157 IonicContact OE2-NH2 3.6Å; E153-R157 PolarHBondContact OE2-NH2 3.25Å |
| 154 | V | 84.6 | Confident | 81.7 | Confident | 73 Ų | 73 | 99.7 Ų | 99.7 | 44% | 0.442 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 170.7 | 169.2 | 0 | 0 | 0 | 0 | 110.5 | R150 K151 L156 R157 V158 | R150-V154 WeakPolarHBondContact O-CG2 3.48Å; R150-V154 PolarHBondContact O-N 3.3Å; K151-V154 PolarHBondContact O-N 3.25Å; V154-L156 PolarHBondContact O-N 2.89Å; V154-R157 PolarHBondContact O-N 2.97Å; V154-V158 WeakPolarHBondContact O-CG2 3.29Å; V154-V158 PolarHBondContact O-N 3.1Å |
| 155 | L | 84 | Confident | 79.8 | Confident | 106 Ų | 106 | 100.2 Ų | 100.2 | 56% | 0.555 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -59.6 | -43.9 | 174.7 | -72.3 | 167 | 0 | 0 | 0 | 111.7 | K151 V152 R157 V158 I159 | K151-L155 WeakPolarHBondContact O-CB 3.27Å; K151-L155 VanDerWaalsContact O-CG 3.28Å; K151-L155 WeakPolarHBondContact O-CG 3.44Å; K151-L155 PolarHBondContact O-N 3.42Å; V152-L155 WeakPolarHBondContact O-CB 3.48Å; V152-L155 PolarHBondContact O-N 3.39Å; L155-R157 PolarHBondContact O-N 3.43Å; L155-V158 PolarHBondContact O-N 3.31Å; L155-I159 WeakPolarHBondContact O-CD1 3.47Å; L155-I159 VanDerWaalsContact O-CG1 3.27Å; L155-I159 WeakPolarHBondContact O-CG1 3.28Å; L155-I159 PolarHBondContact O-N 3.37Å |
| 156 | L | 85.6 | Confident | 78 | Confident | 91 Ų | 91 | 103.3 Ų | 103.3 | 48% | 0.476 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.6 | -38.6 | 175 | -72.2 | 170.2 | 0 | 0 | 0 | 112.4 | V152 E153 V154 I159 N160 | V152-L156 HydrophobicContact CG1-CD1 4.05Å; V152-L156 HydrophobicContact CG1-CG 4.47Å; V152-L156 WeakPolarHBondContact O-CG 3.34Å; V152-L156 PolarHBondContact O-N 3.05Å; E153-L156 PolarHBondContact O-N 3.26Å; V154-L156 PolarHBondContact O-N 2.89Å; L156-I159 PolarHBondContact O-N 2.96Å; L156-N160 VanDerWaalsContact O-CB 3.31Å; L156-N160 WeakPolarHBondContact O-CB 3.36Å; L156-N160 VanDerWaalsContact O-CG 3.3Å; L156-N160 PolarHBondContact O-N 3.27Å; L156-N160 PolarHBondContact O-ND2 3Å |
| 157 | R | 82.7 | Confident | 76.3 | Confident | 128 Ų | 128 | 107.3 Ų | 107.3 | 48% | 0.483 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65 | -40.1 | 173.6 | -87 | -178.5 | -91.9 | 161.3 | -14.5 | 112.4 | E153 V154 L155 N160 R161 | E153-R157 PolarHBondContact O-N 3.1Å; E153-R157 IonicContact OE2-CZ 3.65Å; E153-R157 IonicContact OE2-NH2 3.6Å; E153-R157 PolarHBondContact OE2-NH2 3.25Å; V154-R157 PolarHBondContact O-N 2.97Å; L155-R157 PolarHBondContact O-N 3.43Å; R157-N160 PolarHBondContact O-N 2.85Å; R157-R161 WeakPolarHBondContact O-CG 3.48Å; R157-R161 PolarHBondContact O-N 2.88Å |
| 158 | V | 81 | Confident | 74.4 | Confident | 77 Ų | 77 | 108.3 Ų | 108.3 | 47% | 0.467 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.8 | -52.6 | 173.5 | 171.8 | 0 | 0 | 0 | 0 | 110.3 | V154 L155 N160 R161 T162 | V154-V158 WeakPolarHBondContact O-CG2 3.29Å; V154-V158 PolarHBondContact O-N 3.1Å; L155-V158 PolarHBondContact O-N 3.31Å; V158-N160 VanDerWaalsContact C-N 3.27Å; V158-N160 PolarHBondContact O-N 3.07Å; V158-R161 PolarHBondContact O-N 3.25Å; V158-R161 VanDerWaalsContact O-N 3.08Å; V158-T162 PolarHBondContact O-N 3.5Å; V158-T162 PolarHBondContact O-OG1 3.4Å |
| 159 | I | 78.2 | Confident | 72.5 | Confident | 74 Ų | 74 | 105.4 Ų | 105.4 | 38% | 0.379 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -57.2 | -38.5 | 178.2 | -68 | 163.3 | 0 | 0 | 0 | 112.1 | L155 L156 T162 R163 | L155-I159 WeakPolarHBondContact O-CD1 3.47Å; L155-I159 VanDerWaalsContact O-CG1 3.27Å; L155-I159 WeakPolarHBondContact O-CG1 3.28Å; L155-I159 PolarHBondContact O-N 3.37Å; L156-I159 PolarHBondContact O-N 2.96Å; I159-T162 PolarHBondContact O-OG1 2.97Å; I159-T162 VanDerWaalsContact O-OG1 3.08Å; I159-R163 WeakPolarHBondContact O-CB 3.48Å; I159-R163 WeakPolarHBondContact O-CG 3.09Å; I159-R163 PolarHBondContact O-N 3.4Å; I159-R163 VanDerWaalsContact O-N 3.13Å |
| 160 | N | 79.2 | Confident | 70.9 | Confident | 87 Ų | 87 | 108 Ų | 108 | 47% | 0.465 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -74.4 | -29 | 178.6 | -77.6 | -30.1 | 0 | 0 | 0 | 113.4 | L156 R157 V158 K164 | L156-N160 VanDerWaalsContact O-CB 3.31Å; L156-N160 WeakPolarHBondContact O-CB 3.36Å; L156-N160 VanDerWaalsContact O-CG 3.3Å; L156-N160 PolarHBondContact O-N 3.27Å; L156-N160 PolarHBondContact O-ND2 3Å; R157-N160 PolarHBondContact O-N 2.85Å; V158-N160 VanDerWaalsContact C-N 3.27Å; V158-N160 PolarHBondContact O-N 3.07Å; N160-K164 WeakPolarHBondContact O-CG 3.48Å; N160-K164 PolarHBondContact O-N 3.43Å |
| 161 | R | 75.9 | Confident | 69.4 | Low | 187 Ų | 187 | 110.7 Ų | 110.7 | 71% | 0.706 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -71.4 | -45.8 | 172.8 | -76.9 | 176.2 | 176.6 | 174.6 | -1.6 | 111.3 | R157 V158 R163 K164 N165 | R157-R161 WeakPolarHBondContact O-CG 3.48Å; R157-R161 PolarHBondContact O-N 2.88Å; V158-R161 PolarHBondContact O-N 3.25Å; V158-R161 VanDerWaalsContact O-N 3.08Å; R161-R163 VanDerWaalsContact C-N 3.26Å; R161-R163 PolarHBondContact O-N 3.06Å; R161-K164 PolarHBondContact O-N 3.38Å; R161-N165 PolarHBondContact O-N 3.49Å |
| 162 | T | 69 | Low | 67.8 | Low | 19 Ų | 19 | 110.3 Ų | 110.3 | 12% | 0.117 | 54% | 0.539 | C | S | . | . | H | α-helix | trans | -66.5 | -27.2 | 178.8 | 57.7 | 0 | 0 | 0 | 0 | 112.7 | V158 I159 F168 W170 | V158-T162 PolarHBondContact O-N 3.5Å; V158-T162 PolarHBondContact O-OG1 3.4Å; I159-T162 PolarHBondContact O-OG1 2.97Å; I159-T162 VanDerWaalsContact O-OG1 3.08Å; T162-F168 HydrophobicContact CG2-CD1 4.03Å; T162-F168 HydrophobicContact CG2-CD2 4.11Å; T162-F168 HydrophobicContact CG2-CE1 3.55Å; T162-F168 HydrophobicContact CG2-CE2 3.66Å; T162-F168 HydrophobicContact CG2-CG 4.29Å; T162-F168 HydrophobicContact CG2-CZ 3.36Å; T162-W170 VanDerWaalsContact CB-CZ2 3.5Å; T162-W170 WeakPolarHBondContact OG1-CH2 3.37Å; T162-W170 VanDerWaalsContact OG1-CZ2 3.25Å; T162-W170 WeakPolarHBondContact OG1-CZ2 3.48Å |
| 163 | R | 68.5 | Low | 65.9 | Low | 189 Ų | 189 | 114.8 Ų | 114.8 | 71% | 0.713 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | -20.9 | 169.6 | -79.6 | -179.1 | 170.1 | -176.2 | -2.7 | 115.5 | I159 R161 | I159-R163 WeakPolarHBondContact O-CB 3.48Å; I159-R163 WeakPolarHBondContact O-CG 3.09Å; I159-R163 PolarHBondContact O-N 3.4Å; I159-R163 VanDerWaalsContact O-N 3.13Å; R161-R163 VanDerWaalsContact C-N 3.26Å; R161-R163 PolarHBondContact O-N 3.06Å |
| 164 | K | 61.8 | Low | 64.2 | Low | 178 Ų | 178 | 117.1 Ų | 117.1 | 77% | 0.774 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.9 | -9.1 | -174.1 | -80.5 | -171.4 | 176.1 | -173.6 | 0 | 115.1 | N160 R161 P166 | N160-K164 WeakPolarHBondContact O-CG 3.48Å; N160-K164 PolarHBondContact O-N 3.43Å; R161-K164 PolarHBondContact O-N 3.38Å; K164-P166 WeakPolarHBondContact O-CD 3.45Å |
| 165 | N | 48.5 | Very low | 62.6 | Low | 98 Ų | 98 | 123.6 Ų | 123.6 | 52% | 0.524 | 59% | 0.585 | S | S | . | * | trans | -94.7 | 113.1 | 174.2 | -103.7 | -21 | 0 | 0 | 0 | 110.3 | R161 S167 F168 | R161-N165 PolarHBondContact O-N 3.49Å; N165-S167 PolarHBondContact O-N 2.82Å; N165-F168 HydrophobicContact CB-CB 3.9Å; N165-F168 WeakPolarHBondContact O-CB 3.12Å; N165-F168 PolarHBondContact O-N 3.23Å | ||
| 166 | P | 51.1 | Low | 60.6 | Low | 140 Ų | 140 | 127 Ų | 127 | 91% | 0.909 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | -14.1 | 176.8 | -19.2 | 33.2 | 0 | 0 | 0 | 113.7 | K164 | K164-P166 WeakPolarHBondContact O-CD 3.45Š|
| 167 | S | 49.9 | Very low | 58.6 | Low | 102 Ų | 102 | 127.7 Ų | 127.7 | 71% | 0.713 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | 9.9 | 172.6 | 62.6 | 0 | 0 | 0 | 0 | 113.6 | N165 N169 | N165-S167 PolarHBondContact O-N 2.82Å; S167-N169 PolarHBondContact O-N 2.95Å |
| 168 | F | 46.3 | Very low | 56.5 | Low | 72 Ų | 72 | 127.7 Ų | 127.7 | 32% | 0.316 | 62% | 0.624 | S | S | . | * | trans | -74 | 96.9 | 177.3 | -166 | -97 | 0 | 0 | 0 | 110.2 | T162 N165 W170 | T162-F168 HydrophobicContact CG2-CD1 4.03Å; T162-F168 HydrophobicContact CG2-CD2 4.11Å; T162-F168 HydrophobicContact CG2-CE1 3.55Å; T162-F168 HydrophobicContact CG2-CE2 3.66Å; T162-F168 HydrophobicContact CG2-CG 4.29Å; T162-F168 HydrophobicContact CG2-CZ 3.36Å; N165-F168 HydrophobicContact CB-CB 3.9Å; N165-F168 WeakPolarHBondContact O-CB 3.12Å; N165-F168 PolarHBondContact O-N 3.23Å; F168-W170 AromaticContact CD1-CD1 3.8Å; F168-W170 AromaticContact CD1-CD2 3.82Å; F168-W170 HydrophobicContact CD1-CD2 3.82Å; F168-W170 AromaticContact CD1-CE2 3.71Å; F168-W170 HydrophobicContact CD1-CE3 4.45Å; F168-W170 AromaticContact CD1-CG 3.91Å; F168-W170 HydrophobicContact CD1-CG 3.91Å; F168-W170 HydrophobicContact CD1-CZ2 4.3Å; F168-W170 AromaticContact CD1-NE1 3.66Å; F168-W170 AromaticContact CE1-CD2 3.81Å; F168-W170 HydrophobicContact CE1-CD2 3.81Å; F168-W170 AromaticContact CE1-CE3 3.99Å; F168-W170 HydrophobicContact CE1-CE3 3.99Å; F168-W170 HydrophobicContact CE1-CG 4.18Å; F168-W170 HydrophobicContact CE1-CZ2 4.43Å; F168-W170 HydrophobicContact CE1-CZ3 4.39Å; F168-W170 PolarHBondContact O-N 3.46Å | ||
| 169 | N | 47.1 | Very low | 54.3 | Low | 68 Ų | 68 | 129.2 Ų | 129.2 | 36% | 0.364 | 64% | 0.638 | S | S | . | * | trans | -67.9 | 92.3 | 173.6 | -174.3 | 7.6 | 0 | 0 | 0 | 109.8 | S167 Q171 E172 | S167-N169 PolarHBondContact O-N 2.95Å; N169-Q171 PolarHBondContact O-N 2.93Å; N169-Q171 WeakPolarHBondContact OD1-CA 3.48Å; N169-Q171 WeakPolarHBondContact OD1-CB 3.36Å; N169-Q171 PolarHBondContact OD1-N 3.18Å; N169-E172 HydrophobicContact CB-CB 4.47Å; N169-E172 WeakPolarHBondContact ND2-CG 3.47Å; N169-E172 PolarHBondContact ND2-OE1 3.29Å; N169-E172 VanDerWaalsContact ND2-OE1 3.09Å; N169-E172 PolarHBondContact O-N 3.48Å | ||
| 170 | W | 53.8 | Low | 52.4 | Low | 159 Ų | 159 | 132.9 Ų | 132.9 | 60% | 0.602 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59 | -13.4 | 173.8 | -74.7 | 92.9 | 0 | 0 | 0 | 113.5 | T162 F168 | T162-W170 VanDerWaalsContact CB-CZ2 3.5Å; T162-W170 WeakPolarHBondContact OG1-CH2 3.37Å; T162-W170 VanDerWaalsContact OG1-CZ2 3.25Å; T162-W170 WeakPolarHBondContact OG1-CZ2 3.48Å; F168-W170 AromaticContact CD1-CD1 3.8Å; F168-W170 AromaticContact CD1-CD2 3.82Å; F168-W170 HydrophobicContact CD1-CD2 3.82Å; F168-W170 AromaticContact CD1-CE2 3.71Å; F168-W170 HydrophobicContact CD1-CE3 4.45Å; F168-W170 AromaticContact CD1-CG 3.91Å; F168-W170 HydrophobicContact CD1-CG 3.91Å; F168-W170 HydrophobicContact CD1-CZ2 4.3Å; F168-W170 AromaticContact CD1-NE1 3.66Å; F168-W170 AromaticContact CE1-CD2 3.81Å; F168-W170 HydrophobicContact CE1-CD2 3.81Å; F168-W170 AromaticContact CE1-CE3 3.99Å; F168-W170 HydrophobicContact CE1-CE3 3.99Å; F168-W170 HydrophobicContact CE1-CG 4.18Å; F168-W170 HydrophobicContact CE1-CZ2 4.43Å; F168-W170 HydrophobicContact CE1-CZ3 4.39Å; F168-W170 PolarHBondContact O-N 3.46Å |
| 171 | Q | 53.2 | Low | 50.3 | Low | 166 Ų | 166 | 133.7 Ų | 133.7 | 78% | 0.776 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -4.8 | -178.5 | -124.1 | 164.6 | 0.2 | 0 | 0 | 114 | N169 | N169-Q171 PolarHBondContact O-N 2.93Å; N169-Q171 WeakPolarHBondContact OD1-CA 3.48Å; N169-Q171 WeakPolarHBondContact OD1-CB 3.36Å; N169-Q171 PolarHBondContact OD1-N 3.18Å |
| 172 | E | 51.8 | Low | 48.8 | Very low | 139 Ų | 139 | 130.9 Ų | 130.9 | 65% | 0.65 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -93.9 | -10.5 | 179.7 | -102.6 | 163 | -154.2 | 0 | 0 | 114.5 | N169 | N169-E172 HydrophobicContact CB-CB 4.47Å; N169-E172 WeakPolarHBondContact ND2-CG 3.47Å; N169-E172 PolarHBondContact ND2-OE1 3.29Å; N169-E172 VanDerWaalsContact ND2-OE1 3.09Å; N169-E172 PolarHBondContact O-N 3.48Å |
| 173 | F | 47 | Very low | 47.3 | Very low | 178 Ų | 178 | 138.9 Ų | 138.9 | 78% | 0.781 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -88.3 | -9.2 | -177.5 | -142.6 | -93.1 | 0 | 0 | 0 | 114.6 | ||
| 174 | D | 49.5 | Very low | 45.8 | Very low | 129 Ų | 129 | 134.9 Ų | 134.9 | 69% | 0.69 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -85.3 | -8.4 | -174.9 | -83 | -26.9 | 0 | 0 | 0 | 114.8 | ||
| 175 | Y | 50.7 | Low | 44.5 | Very low | 208 Ų | 208 | 133.9 Ų | 133.9 | 82% | 0.816 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -136 | 0.2 | -171 | -75.1 | -74.7 | 0 | 0 | 0 | 118.2 | S177 | Y175-S177 PolarHBondContact O-N 2.93Š|
| 176 | Q | 42.8 | Very low | 43.9 | Very low | 178 Ų | 178 | 133.6 Ų | 133.6 | 83% | 0.832 | 72% | 0.717 | S | S | * | * | trans | -91.8 | 86 | 172.8 | -123.9 | 71.7 | 29.7 | 0 | 0 | 112 | ||||
| 177 | S | 42.3 | Very low | 43.1 | Very low | 106 Ų | 106 | 132.9 Ų | 132.9 | 74% | 0.741 | 72% | 0.715 | S | S | * | * | trans | -81 | 163.5 | 173.6 | -167.9 | 0 | 0 | 0 | 0 | 112.4 | Y175 | Y175-S177 PolarHBondContact O-N 2.93Š| ||
| 178 | V | 38.1 | Very low | 42.4 | Very low | 128 Ų | 128 | 136.6 Ų | 136.6 | 78% | 0.776 | 72% | 0.721 | S | S | * | * | trans | 74.9 | 87.2 | 165.6 | -161 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 179 | S | 35.9 | Very low | 41.8 | Very low | 108 Ų | 108 | 137.9 Ų | 137.9 | 76% | 0.755 | 74% | 0.739 | S | S | * | * | S | Bend | -178.6 | 155.6 | 113.9 | -73.8 | 0 | 0 | 0 | 0 | 111.1 | |||
| 180 | D | 37.3 | Very low | 41.1 | Very low | 151 Ų | 151 | 144 Ų | 144 | 81% | 0.807 | 76% | 0.763 | S | S | * | * | trans | 64.4 | 74.7 | 177.1 | -61.9 | -8.6 | 0 | 0 | 0 | 117.4 | V182 | D180-V182 PolarHBondContact O-N 3.44Š| ||
| 181 | S | 35.8 | Very low | 40.1 | Very low | 104 Ų | 104 | 143.5 Ų | 143.5 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | -57.3 | 106.8 | 168.3 | 160.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 182 | V | 44.6 | Very low | 39.2 | Very low | 128 Ų | 128 | 142.2 Ų | 142.2 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | -119.8 | 11.7 | 165.9 | -142.7 | 0 | 0 | 0 | 0 | 113.3 | D180 | D180-V182 PolarHBondContact O-N 3.44Š| ||
| 183 | F | 37.5 | Very low | 38.1 | Very low | 188 Ų | 188 | 139.6 Ų | 139.6 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | trans | -126.5 | 54 | -177.6 | -76 | -78.8 | 0 | 0 | 0 | 113.3 | L185 | F183-L185 PolarHBondContact O-N 2.95Š| ||
| 184 | S | 37.6 | Very low | 37.8 | Very low | 105 Ų | 105 | 137.8 Ų | 137.8 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | trans | -84.4 | 86.9 | 159.6 | -72.3 | 0 | 0 | 0 | 0 | 110 | S186 | S184-S186 PolarHBondContact O-N 3.14Š| ||
| 185 | L | 33.1 | Very low | 37.1 | Very low | 156 Ų | 156 | 140.4 Ų | 140.4 | 82% | 0.817 | 79% | 0.792 | S | S | * | * | trans | -73.4 | 95.2 | 163.3 | -84 | 156 | 0 | 0 | 0 | 109.5 | F183 | F183-L185 PolarHBondContact O-N 2.95Š| ||
| 186 | S | 36 | Very low | 36.3 | Very low | 93 Ų | 93 | 137.5 Ų | 137.5 | 65% | 0.65 | 79% | 0.791 | S | S | * | * | trans | -110.1 | 125.9 | 144.1 | 58.8 | 0 | 0 | 0 | 0 | 107.1 | S184 | S184-S186 PolarHBondContact O-N 3.14Š| ||
| 187 | S | 34.8 | Very low | 36 | Very low | 124 Ų | 124 | 137.2 Ų | 137.2 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | cis | 56.9 | 52.3 | 49.5 | -51.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 188 | Q | 36.2 | Very low | 35.6 | Very low | 181 Ų | 181 | 136.8 Ų | 136.8 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | trans | -124.8 | 137.3 | 159.5 | -149.2 | 165.9 | 21.7 | 0 | 0 | 109.2 | ||||
| 189 | S | 33.7 | Very low | 35.5 | Very low | 98 Ų | 98 | 139.1 Ų | 139.1 | 69% | 0.685 | 79% | 0.788 | S | S | * | * | trans | -73.1 | 150.6 | -161.6 | 42.9 | 0 | 0 | 0 | 0 | 114.4 | D191 | S189-D191 PolarHBondContact O-N 2.97Š| ||
| 190 | F | 32.5 | Very low | 35.2 | Very low | 198 Ų | 198 | 141.1 Ų | 141.1 | 87% | 0.868 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -62 | 98.1 | 150.3 | -83.3 | -104.3 | 0 | 0 | 0 | 108.3 | ||
| 191 | D | 32.4 | Very low | 35.2 | Very low | 148 Ų | 148 | 139.7 Ų | 139.7 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | trans | -178.6 | 89.6 | 151.8 | -102.9 | -25.3 | 0 | 0 | 0 | 110.5 | S189 | S189-D191 PolarHBondContact O-N 2.97Š| ||
| 192 | T | 34.6 | Very low | 35.2 | Very low | 138 Ų | 138 | 144.4 Ų | 144.4 | 85% | 0.847 | 80% | 0.796 | S | S | * | * | trans | -158.9 | 109 | 152.6 | -25.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 193 | A | 28.4 | Very low | 34.9 | Very low | 85 Ų | 85 | 143.8 Ų | 143.8 | 70% | 0.702 | 80% | 0.797 | S | S | * | * | trans | -76.7 | 139.9 | 158.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | E195 | A193-E195 PolarHBondContact O-N 3.49Å; A193-E195 VanDerWaalsContact O-N 3.07Å | ||
| 194 | P | 39.6 | Very low | 34.9 | Very low | 139 Ų | 139 | 142.4 Ų | 142.4 | 90% | 0.903 | 79% | 0.794 | S | S | * | * | trans | -81.1 | 86.6 | 172 | 32.5 | -31.7 | 0 | 0 | 0 | 109.5 | ||||
| 195 | E | 34.3 | Very low | 35 | Very low | 185 Ų | 185 | 144.4 Ų | 144.4 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | -99.6 | 145.9 | 157.2 | -147.9 | 171 | -160.5 | 0 | 0 | 108.9 | A193 | A193-E195 PolarHBondContact O-N 3.49Å; A193-E195 VanDerWaalsContact O-N 3.07Å | ||
| 196 | D | 35.7 | Very low | 35.3 | Very low | 147 Ų | 147 | 140.8 Ų | 140.8 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | trans | 85.7 | 151.7 | 170.3 | -151.7 | 16.9 | 0 | 0 | 0 | 120.2 | ||||
| 197 | Q | 35.8 | Very low | 35.4 | Very low | 172 Ų | 172 | 146.4 Ų | 146.4 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | 70.6 | 128.5 | 176.7 | -51 | 178.2 | 53.3 | 0 | 0 | 116.4 | ||||
| 198 | S | 34.2 | Very low | 35.6 | Very low | 96 Ų | 96 | 144.5 Ų | 144.5 | 67% | 0.671 | 80% | 0.801 | S | S | * | * | cis | -159.3 | 179.1 | -11.9 | 67.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 199 | Q | 34.9 | Very low | 35.8 | Very low | 177 Ų | 177 | 143.2 Ų | 143.2 | 83% | 0.827 | 80% | 0.8 | S | S | * | * | cis | -156.7 | 171.3 | 13.6 | -145 | 161.5 | 118.4 | 0 | 0 | 110.6 | ||||
| 200 | L | 30.1 | Very low | 35.9 | Very low | 151 Ų | 151 | 143.9 Ų | 143.9 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | trans | -116.7 | 133.7 | 173.1 | -101.6 | 160.3 | 0 | 0 | 0 | 110.4 | ||||
| 201 | P | 38.3 | Very low | 36.2 | Very low | 120 Ų | 120 | 146 Ų | 146 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | trans | -88.8 | 126 | 158.4 | 24.7 | -14.3 | 0 | 0 | 0 | 110.9 | ||||
| 202 | K | 34.2 | Very low | 36.3 | Very low | 204 Ų | 204 | 149.1 Ų | 149.1 | 89% | 0.887 | 81% | 0.807 | S | S | * | * | trans | -96.6 | 120.2 | 171.3 | -78.6 | 176.7 | 176.4 | 170.8 | 0 | 111.1 | ||||
| 203 | S | 38.9 | Very low | 36.5 | Very low | 114 Ų | 114 | 148 Ų | 148 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | -175.7 | 150.6 | 150.1 | 52 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 204 | Q | 38.7 | Very low | 36.9 | Very low | 160 Ų | 160 | 151.4 Ų | 151.4 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | cis | -165.9 | 156.9 | -22 | -177.6 | -179.1 | -48.4 | 0 | 0 | 107 | ||||
| 205 | D | 38.5 | Very low | 36.7 | Very low | 147 Ų | 147 | 153.5 Ų | 153.5 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | trans | 68.5 | 135.2 | 167.3 | -66.3 | -40.9 | 0 | 0 | 0 | 120.6 | ||||
| 206 | G | 38.5 | Very low | 36.7 | Very low | 79 Ų | 79 | 149.8 Ų | 149.8 | 81% | 0.814 | 80% | 0.795 | S | S | * | * | trans | 151.4 | 34.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 207 | K | 39.3 | Very low | 36.7 | Very low | 211 Ų | 211 | 146.4 Ų | 146.4 | 92% | 0.917 | 80% | 0.795 | S | S | * | * | trans | -22.2 | 131.3 | 174.3 | -69.4 | 167.6 | 173.5 | 167.8 | 0 | 117.9 | ||||
| 208 | A | 39.3 | Very low | 36.6 | Very low | 85 Ų | 85 | 143.9 Ų | 143.9 | 70% | 0.702 | 80% | 0.796 | S | S | * | * | 165.6 | 141.1 | 102.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 209 | N | 40.7 | Very low | 36.8 | Very low | 154 Ų | 154 | 144.6 Ų | 144.6 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | trans | 54.2 | 109.5 | 160.2 | -58.8 | -14.1 | 0 | 0 | 0 | 118.5 | ||||
| 210 | S | 35 | Very low | 37 | Very low | 111 Ų | 111 | 147.5 Ų | 147.5 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | cis | 69.7 | 99.1 | 35.5 | -60.9 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 211 | R | 38.8 | Very low | 37.3 | Very low | 243 Ų | 243 | 149.4 Ų | 149.4 | 92% | 0.917 | 81% | 0.806 | S | S | * | * | trans | 156.1 | 119.8 | 132.9 | -82.9 | 167.2 | -158.7 | -141.5 | 6.3 | 108.3 | ||||
| 212 | R | 34.7 | Very low | 37.3 | Very low | 213 Ų | 213 | 149.4 Ų | 149.4 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | cis | 86.5 | 141.4 | 43.5 | -159.5 | -159.5 | 177.9 | -137.5 | -4.6 | 112.6 | ||||
| 213 | L | 38.7 | Very low | 37.5 | Very low | 115 Ų | 115 | 145.2 Ų | 145.2 | 60% | 0.602 | 79% | 0.792 | S | S | * | * | trans | 77.4 | 141.8 | 173.3 | -95.1 | 56.3 | 0 | 0 | 0 | 116.2 | ||||
| 214 | E | 36.8 | Very low | 37.6 | Very low | 157 Ų | 157 | 147.5 Ų | 147.5 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | cis | -163.7 | -173 | -19.5 | -132.7 | 166.1 | -133.3 | 0 | 0 | 112.2 | ||||
| 215 | H | 36 | Very low | 37.9 | Very low | 182 Ų | 182 | 147.3 Ų | 147.3 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | trans | -75.4 | 159 | -173.4 | -75.6 | -91.9 | 0 | 0 | 0 | 116.9 | ||||
| 216 | A | 32.7 | Very low | 37.9 | Very low | 108 Ų | 108 | 147.1 Ų | 147.1 | 89% | 0.893 | 79% | 0.788 | S | S | * | * | trans | 72.6 | 144.5 | 143.9 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 217 | G | 36.5 | Very low | 37.9 | Very low | 75 Ų | 75 | 146.2 Ų | 146.2 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | trans | 120.6 | 76.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 218 | S | 34.8 | Very low | 38 | Very low | 119 Ų | 119 | 143.9 Ų | 143.9 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | 73 | 99 | 80.8 | -169.4 | 0 | 0 | 0 | 0 | 116 | |||||
| 219 | S | 37.2 | Very low | 38 | Very low | 111 Ų | 111 | 145.6 Ų | 145.6 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | trans | 163.3 | 105.4 | 134.7 | -76.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 220 | R | 38.6 | Very low | 37.8 | Very low | 239 Ų | 239 | 145.2 Ų | 145.2 | 90% | 0.902 | 77% | 0.774 | S | S | * | * | 84.2 | 102.6 | 68.2 | -171.2 | -173.7 | -156.8 | -171.4 | 7.9 | 113.5 | |||||
| 221 | K | 37.1 | Very low | 38 | Very low | 190 Ų | 190 | 147.5 Ų | 147.5 | 83% | 0.826 | 77% | 0.773 | S | S | * | * | trans | 179.6 | 134.1 | 133.2 | -101.5 | 169.6 | -177.5 | -175.8 | 0 | 113.5 | ||||
| 222 | T | 39 | Very low | 37.8 | Very low | 121 Ų | 121 | 142.5 Ų | 142.5 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | trans | 57.1 | 135.6 | 148.7 | 59.9 | 0 | 0 | 0 | 0 | 120 | ||||
| 223 | N | 38.2 | Very low | 38 | Very low | 115 Ų | 115 | 135.7 Ų | 135.7 | 62% | 0.615 | 77% | 0.766 | S | S | * | * | cis | -155.4 | 155.2 | 1 | -108.7 | 26.2 | 0 | 0 | 0 | 110.3 | ||||
| 224 | E | 41.3 | Very low | 38.1 | Very low | 163 Ų | 163 | 136.8 Ų | 136.8 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | trans | 37.7 | 140.5 | 134.7 | -64.8 | 152.9 | -174.7 | 0 | 0 | 120.3 | ||||
| 225 | E | 43.2 | Very low | 37.8 | Very low | 155 Ų | 155 | 139 Ų | 139 | 72% | 0.724 | 79% | 0.785 | S | S | * | * | cis | -166.7 | 154.2 | 33.7 | -134.4 | -172.3 | 137.7 | 0 | 0 | 112.5 | ||||
| 226 | N | 40.2 | Very low | 37.9 | Very low | 143 Ų | 143 | 135.4 Ų | 135.4 | 77% | 0.765 | 78% | 0.78 | S | S | * | * | trans | 56.3 | 144.8 | 154.5 | -53.1 | -31.1 | 0 | 0 | 0 | 122 | ||||
| 227 | G | 38 | Very low | 38.1 | Very low | 60 Ų | 60 | 134.5 Ų | 134.5 | 62% | 0.619 | 77% | 0.768 | S | S | * | * | cis | 175.7 | 126.2 | -8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 228 | I | 42 | Very low | 38.1 | Very low | 163 Ų | 163 | 137.6 Ų | 137.6 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | 56.5 | 122.4 | 106 | -50.4 | 165.3 | 0 | 0 | 0 | 113 | |||||
| 229 | T | 39.6 | Very low | 38.2 | Very low | 121 Ų | 121 | 137.8 Ų | 137.8 | 74% | 0.742 | 76% | 0.762 | S | S | * | * | -168.9 | 159.1 | 61.7 | -28.5 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 230 | D | 35.8 | Very low | 38.5 | Very low | 146 Ų | 146 | 137 Ų | 137 | 78% | 0.781 | 76% | 0.757 | S | S | * | * | trans | -120 | 147.7 | 170.2 | -157.5 | -0.4 | 0 | 0 | 0 | 109.8 | ||||
| 231 | Q | 38.6 | Very low | 38.6 | Very low | 159 Ų | 159 | 135 Ų | 135 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | trans | 173.3 | 120.9 | 167.6 | -103.8 | 153.8 | 109.6 | 0 | 0 | 109.9 | ||||
| 232 | T | 34.9 | Very low | 38.7 | Very low | 137 Ų | 137 | 129.1 Ų | 129.1 | 84% | 0.84 | 75% | 0.751 | S | S | * | * | 64 | 126.6 | 58 | 61.8 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 233 | G | 39.1 | Very low | 38.7 | Very low | 71 Ų | 71 | 127.6 Ų | 127.6 | 73% | 0.732 | 75% | 0.745 | S | S | * | * | trans | 144.6 | 141.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 234 | T | 39.5 | Very low | 39.2 | Very low | 137 Ų | 137 | 126.7 Ų | 126.7 | 84% | 0.84 | 75% | 0.753 | S | S | * | * | cis | -159.5 | 135.7 | -2.1 | -53.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 235 | F | 31.9 | Very low | 39.6 | Very low | 203 Ų | 203 | 126.4 Ų | 126.4 | 89% | 0.89 | 75% | 0.752 | S | S | * | * | trans | -88.7 | 133.9 | 161.8 | -100.3 | -96 | 0 | 0 | 0 | 109.7 | ||||
| 236 | S | 36.9 | Very low | 40.3 | Very low | 108 Ų | 108 | 123 Ų | 123 | 76% | 0.755 | 75% | 0.745 | S | S | * | * | trans | 163.2 | 157.9 | 156.9 | -90.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 237 | S | 38.2 | Very low | 41.6 | Very low | 89 Ų | 89 | 118.3 Ų | 118.3 | 62% | 0.622 | 73% | 0.731 | S | S | * | * | cis | -168.9 | 149.6 | -17.3 | -97.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 238 | N | 36 | Very low | 43.5 | Very low | 140 Ų | 140 | 125.7 Ų | 125.7 | 75% | 0.749 | 74% | 0.74 | S | S | * | * | trans | 35.6 | 137.9 | 143.1 | -46.7 | -23 | 0 | 0 | 0 | 121.1 | ||||
| 239 | T | 36 | Very low | 45.3 | Very low | 122 Ų | 122 | 122.3 Ų | 122.3 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | 157.9 | 152.5 | 98.4 | -55.6 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 240 | S | 44.7 | Very low | 47.3 | Very low | 94 Ų | 94 | 122.5 Ų | 122.5 | 66% | 0.657 | 71% | 0.714 | S | S | * | * | trans | 62.6 | 102.2 | 162.8 | 46.8 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 241 | Q | 41.2 | Very low | 49.5 | Very low | 199 Ų | 199 | 120.2 Ų | 120.2 | 93% | 0.93 | 70% | 0.698 | S | S | * | * | 72.8 | 94.6 | 87.7 | -79 | -174.9 | -40 | 0 | 0 | 114.2 | |||||
| 242 | G | 38 | Very low | 51.8 | Low | 65 Ų | 65 | 119.7 Ų | 119.7 | 67% | 0.67 | 69% | 0.689 | S | S | * | * | trans | 169.6 | 95.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 243 | S | 40.3 | Very low | 54.3 | Low | 89 Ų | 89 | 118.4 Ų | 118.4 | 62% | 0.622 | 67% | 0.674 | S | S | * | * | trans | 57.4 | 127.8 | 170.9 | -151.3 | 0 | 0 | 0 | 0 | 118.6 | E245 S246 | S243-E245 PolarHBondContact O-N 3.43Å; S243-S246 PolarHBondContact O-OG 3.4Å | ||
| 244 | A | 46.8 | Very low | 56.7 | Low | 96 Ų | 96 | 119.8 Ų | 119.8 | 79% | 0.793 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | 5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 245 | E | 50.3 | Low | 59.1 | Low | 158 Ų | 158 | 118.1 Ų | 118.1 | 74% | 0.738 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | -17.7 | -179.9 | -71.3 | 173.5 | 125.9 | 0 | 0 | 113.7 | S243 G247 | S243-E245 PolarHBondContact O-N 3.43Å; E245-G247 PolarHBondContact O-N 2.91Å |
| 246 | S | 57.4 | Low | 61.9 | Low | 82 Ų | 82 | 116.4 Ų | 116.4 | 57% | 0.573 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -67.4 | -32.6 | -175 | 53.1 | 0 | 0 | 0 | 0 | 114.4 | S243 W248 E249 E250 | S243-S246 PolarHBondContact O-OG 3.4Å; S246-W248 PolarHBondContact O-N 3.34Å; S246-E249 PolarHBondContact O-N 2.91Å; S246-E250 PolarHBondContact O-N 2.9Å |
| 247 | G | 67.5 | Low | 64.5 | Low | 45 Ų | 45 | 115.1 Ų | 115.1 | 46% | 0.464 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -67.6 | -35.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | E245 E251 | E245-G247 PolarHBondContact O-N 2.91Å; G247-E251 PolarHBondContact O-N 3.41Å; G247-E251 VanDerWaalsContact O-N 3.15Å |
| 248 | W | 79.1 | Confident | 66.9 | Low | 215 Ų | 215 | 115 Ų | 115 | 81% | 0.814 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -72.6 | -33.1 | 179.1 | -71.8 | 97 | 0 | 0 | 0 | 112.4 | S246 R252 | S246-W248 PolarHBondContact O-N 3.34Å; W248-R252 WeakPolarHBondContact O-CB 3.5Å; W248-R252 PolarHBondContact O-N 2.89Å |
| 249 | E | 80.2 | Confident | 69.5 | Low | 93 Ų | 93 | 113.8 Ų | 113.8 | 44% | 0.435 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -70.4 | -39 | 178.1 | -161.7 | 58.2 | -135.1 | 0 | 0 | 111.1 | S246 R252 Q253 | S246-E249 PolarHBondContact O-N 2.91Å; E249-R252 PolarHBondContact O-N 3.31Å; E249-R252 IonicContact OE1-CZ 2.72Å; E249-R252 IonicContact OE1-NE 3.13Å; E249-R252 PolarHBondContact OE1-NE 3.45Å; E249-R252 IonicContact OE1-NH2 3.81Å; E249-R252 PolarHBondContact OE1-NH2 3.29Å; E249-R252 IonicContact OE2-CZ 2.7Å; E249-R252 IonicContact OE2-NE 2.65Å; E249-R252 IonicContact OE2-NH2 2.71Å; E249-Q253 WeakPolarHBondContact O-CB 3.33Å; E249-Q253 PolarHBondContact O-N 3.21Å |
| 250 | E | 81 | Confident | 72.1 | Confident | 125 Ų | 125 | 113.8 Ų | 113.8 | 58% | 0.584 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -67.5 | -41.8 | 176.1 | -150.8 | -167.8 | -121.1 | 0 | 0 | 112.1 | S246 Q253 K254 | S246-E250 PolarHBondContact O-N 2.9Å; E250-Q253 PolarHBondContact O-N 3.37Å; E250-K254 WeakPolarHBondContact O-CG 3.48Å; E250-K254 PolarHBondContact O-N 3.16Å; E250-K254 WeakPolarHBondContact OE2-CE 3.35Å; E250-K254 IonicContact OE2-NZ 2.94Å; E250-K254 PolarHBondContact OE2-NZ 3.3Å |
| 251 | E | 82.1 | Confident | 74.2 | Confident | 97 Ų | 97 | 113.7 Ų | 113.7 | 45% | 0.453 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -69.6 | -37.3 | 176.5 | -153.5 | 65.1 | -167.3 | 0 | 0 | 112 | G247 Q253 K254 L255 | G247-E251 PolarHBondContact O-N 3.41Å; G247-E251 VanDerWaalsContact O-N 3.15Å; E251-Q253 VanDerWaalsContact C-N 3.31Å; E251-Q253 PolarHBondContact O-N 3.01Å; E251-K254 PolarHBondContact O-N 3.42Å; E251-K254 WeakPolarHBondContact OE2-CD 3.44Å; E251-K254 IonicContact OE2-NZ 3.17Å; E251-K254 PolarHBondContact OE2-NZ 2.97Å; E251-L255 WeakPolarHBondContact O-CG 3.47Å; E251-L255 PolarHBondContact O-N 3.29Å |
| 252 | R | 86.1 | Confident | 76.5 | Confident | 149 Ų | 149 | 108.4 Ų | 108.4 | 56% | 0.562 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -58.1 | -44 | 170.1 | -175 | 174.8 | 88 | 146.7 | 2.6 | 111 | W248 E249 L255 W256 | W248-R252 WeakPolarHBondContact O-CB 3.5Å; W248-R252 PolarHBondContact O-N 2.89Å; E249-R252 PolarHBondContact O-N 3.31Å; E249-R252 IonicContact OE1-CZ 2.72Å; E249-R252 IonicContact OE1-NE 3.13Å; E249-R252 PolarHBondContact OE1-NE 3.45Å; E249-R252 IonicContact OE1-NH2 3.81Å; E249-R252 PolarHBondContact OE1-NH2 3.29Å; E249-R252 IonicContact OE2-CZ 2.7Å; E249-R252 IonicContact OE2-NE 2.65Å; E249-R252 IonicContact OE2-NH2 2.71Å; R252-L255 PolarHBondContact O-N 3.01Å; R252-W256 WeakPolarHBondContact O-CB 3.48Å; R252-W256 PolarHBondContact O-N 2.88Å |
| 253 | Q | 88.7 | Confident | 79 | Confident | 110 Ų | 110 | 113.4 Ų | 113.4 | 51% | 0.514 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -68.2 | -38.3 | -179.8 | -165.3 | 66.9 | 2.6 | 0 | 0 | 112.5 | E249 E250 E251 W256 T257 | E249-Q253 WeakPolarHBondContact O-CB 3.33Å; E249-Q253 PolarHBondContact O-N 3.21Å; E250-Q253 PolarHBondContact O-N 3.37Å; E251-Q253 VanDerWaalsContact C-N 3.31Å; E251-Q253 PolarHBondContact O-N 3.01Å; Q253-W256 PolarHBondContact O-N 3.01Å; Q253-T257 PolarHBondContact O-N 2.95Å; Q253-T257 PolarHBondContact O-OG1 3.33Å |
| 254 | K | 89.3 | Confident | 81.3 | Confident | 99 Ų | 99 | 112.9 Ų | 112.9 | 43% | 0.43 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -60.5 | -48.4 | 171.9 | -68.6 | 167.2 | -152.6 | 156.7 | 0 | 111.3 | E250 E251 W256 T257 L258 | E250-K254 WeakPolarHBondContact O-CG 3.48Å; E250-K254 PolarHBondContact O-N 3.16Å; E250-K254 WeakPolarHBondContact OE2-CE 3.35Å; E250-K254 IonicContact OE2-NZ 2.94Å; E250-K254 PolarHBondContact OE2-NZ 3.3Å; E251-K254 PolarHBondContact O-N 3.42Å; E251-K254 WeakPolarHBondContact OE2-CD 3.44Å; E251-K254 IonicContact OE2-NZ 3.17Å; E251-K254 PolarHBondContact OE2-NZ 2.97Å; K254-W256 VanDerWaalsContact C-N 3.32Å; K254-W256 PolarHBondContact O-N 3.24Å; K254-T257 PolarHBondContact O-N 2.85Å; K254-L258 PolarHBondContact O-N 3.23Å |
| 255 | L | 88.5 | Confident | 83.3 | Confident | 102 Ų | 102 | 115 Ų | 115 | 53% | 0.534 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.8 | -38 | 176.5 | -75.1 | 170.8 | 0 | 0 | 0 | 112.5 | E251 R252 L258 L259 | E251-L255 WeakPolarHBondContact O-CG 3.47Å; E251-L255 PolarHBondContact O-N 3.29Å; R252-L255 PolarHBondContact O-N 3.01Å; L255-L258 PolarHBondContact O-N 2.97Å; L255-L259 WeakPolarHBondContact O-CB 3.47Å; L255-L259 PolarHBondContact O-N 3.14Å |
| 256 | W | 91.4 | Very high | 85 | Confident | 167 Ų | 167 | 112.3 Ų | 112.3 | 63% | 0.633 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.4 | -40.2 | 176.1 | -142.2 | 100.2 | 0 | 0 | 0 | 112 | R252 Q253 K254 L259 K260 | R252-W256 WeakPolarHBondContact O-CB 3.48Å; R252-W256 PolarHBondContact O-N 2.88Å; Q253-W256 PolarHBondContact O-N 3.01Å; K254-W256 VanDerWaalsContact C-N 3.32Å; K254-W256 PolarHBondContact O-N 3.24Å; W256-L259 PolarHBondContact O-N 3.24Å; W256-K260 HydrophobicContact CE3-CB 4.45Å; W256-K260 HydrophobicContact CZ3-CB 4.43Å; W256-K260 HydrophobicContact CZ3-CD 4.33Å; W256-K260 WeakPolarHBondContact O-CB 3.31Å; W256-K260 PolarHBondContact O-N 3.48Å |
| 257 | T | 91 | Very high | 86.5 | Confident | 81 Ų | 81 | 112.8 Ų | 112.8 | 50% | 0.497 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.3 | -44.6 | 175.3 | -52.6 | 0 | 0 | 0 | 0 | 111 | Q253 K254 K260 E261 | Q253-T257 PolarHBondContact O-N 2.95Å; Q253-T257 PolarHBondContact O-OG1 3.33Å; K254-T257 PolarHBondContact O-N 2.85Å; T257-K260 WeakPolarHBondContact O-CB 3.26Å; T257-K260 PolarHBondContact O-N 2.95Å; T257-E261 PolarHBondContact O-N 3.26Å |
| 258 | L | 89.8 | Confident | 87.3 | Confident | 86 Ų | 86 | 116 Ų | 116 | 45% | 0.45 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.8 | -41.7 | 176 | -175.8 | 65 | 0 | 0 | 0 | 112.3 | K254 L255 K260 E261 M262 | K254-L258 PolarHBondContact O-N 3.23Å; L255-L258 PolarHBondContact O-N 2.97Å; L258-K260 VanDerWaalsContact C-N 3.3Å; L258-K260 PolarHBondContact O-N 2.85Å; L258-E261 PolarHBondContact O-N 3.41Å; L258-M262 HydrophobicContact CD1-CE 3.88Å; L258-M262 HydrophobicContact CD1-CG 4.42Å; L258-M262 WeakPolarHBondContact O-CB 3.48Å; L258-M262 VanDerWaalsContact O-CG 3.24Å; L258-M262 WeakPolarHBondContact O-CG 3.44Å; L258-M262 PolarHBondContact O-N 3.41Å |
| 259 | L | 89.6 | Confident | 87.5 | Confident | 116 Ų | 116 | 111.4 Ų | 111.4 | 61% | 0.607 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.2 | -39 | 174.2 | -98.6 | 164.5 | 0 | 0 | 0 | 112.1 | L255 W256 R263 | L255-L259 WeakPolarHBondContact O-CB 3.47Å; L255-L259 PolarHBondContact O-N 3.14Å; W256-L259 PolarHBondContact O-N 3.24Å; L259-R263 WeakPolarHBondContact O-CB 3.45Å; L259-R263 PolarHBondContact O-N 2.94Å |
| 260 | K | 90.7 | Very high | 87.7 | Confident | 121 Ų | 121 | 111.4 Ų | 111.4 | 53% | 0.526 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.6 | -49.3 | 175.1 | -169 | -176.9 | 179.5 | -176.4 | 0 | 111.2 | W256 T257 L258 M262 R263 D264 | W256-K260 HydrophobicContact CE3-CB 4.45Å; W256-K260 HydrophobicContact CZ3-CB 4.43Å; W256-K260 HydrophobicContact CZ3-CD 4.33Å; W256-K260 WeakPolarHBondContact O-CB 3.31Å; W256-K260 PolarHBondContact O-N 3.48Å; T257-K260 WeakPolarHBondContact O-CB 3.26Å; T257-K260 PolarHBondContact O-N 2.95Å; L258-K260 VanDerWaalsContact C-N 3.3Å; L258-K260 PolarHBondContact O-N 2.85Å; K260-M262 VanDerWaalsContact C-N 3.33Å; K260-M262 PolarHBondContact O-N 3.19Å; K260-R263 WeakPolarHBondContact O-CB 3.39Å; K260-R263 PolarHBondContact O-N 3.33Å; K260-R263 VanDerWaalsContact O-N 3.11Å; K260-D264 PolarHBondContact O-N 3.38Å |
| 261 | E | 89.8 | Confident | 88 | Confident | 92 Ų | 92 | 109.3 Ų | 109.3 | 43% | 0.43 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.3 | -39.7 | 179 | -165.3 | -170.8 | 163.4 | 0 | 0 | 112.1 | T257 L258 D264 R265 | T257-E261 PolarHBondContact O-N 3.26Å; L258-E261 PolarHBondContact O-N 3.41Å; E261-D264 PolarHBondContact O-N 3.25Å; E261-R265 WeakPolarHBondContact O-CB 3.42Å; E261-R265 WeakPolarHBondContact O-CG 3.14Å; E261-R265 PolarHBondContact O-N 3.41Å; E261-R265 IonicContact OE1-CZ 3.15Å; E261-R265 IonicContact OE1-NE 2.68Å; E261-R265 IonicContact OE1-NH2 2.78Å; E261-R265 PolarHBondContact OE1-NH2 2.91Å |
| 262 | M | 88.1 | Confident | 88.2 | Confident | 88 Ų | 88 | 107.6 Ų | 107.6 | 43% | 0.433 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.5 | -37.8 | 174.6 | -70.5 | -65.9 | 169.4 | 0 | 0 | 112.2 | L258 K260 R265 I266 | L258-M262 HydrophobicContact CD1-CE 3.88Å; L258-M262 HydrophobicContact CD1-CG 4.42Å; L258-M262 WeakPolarHBondContact O-CB 3.48Å; L258-M262 VanDerWaalsContact O-CG 3.24Å; L258-M262 WeakPolarHBondContact O-CG 3.44Å; L258-M262 PolarHBondContact O-N 3.41Å; K260-M262 VanDerWaalsContact C-N 3.33Å; K260-M262 PolarHBondContact O-N 3.19Å; M262-R265 PolarHBondContact O-N 2.86Å; M262-I266 VanDerWaalsContact O-CG1 3.29Å; M262-I266 WeakPolarHBondContact O-CG1 3.27Å; M262-I266 PolarHBondContact O-N 2.9Å |
| 263 | R | 90.9 | Very high | 88.3 | Confident | 171 Ų | 171 | 107.8 Ų | 107.8 | 65% | 0.645 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67 | -41.6 | 174.3 | -177 | 162.9 | -68.1 | -171.9 | -0.9 | 112 | L259 K260 I266 N267 | L259-R263 WeakPolarHBondContact O-CB 3.45Å; L259-R263 PolarHBondContact O-N 2.94Å; K260-R263 WeakPolarHBondContact O-CB 3.39Å; K260-R263 PolarHBondContact O-N 3.33Å; K260-R263 VanDerWaalsContact O-N 3.11Å; R263-I266 PolarHBondContact O-N 2.92Å; R263-N267 VanDerWaalsContact O-CG 3.23Å; R263-N267 PolarHBondContact O-N 3.07Å; R263-N267 PolarHBondContact O-ND2 2.77Å |
| 264 | D | 89.4 | Confident | 88.2 | Confident | 78 Ų | 78 | 107.2 Ų | 107.2 | 42% | 0.417 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.4 | -38.3 | 177.1 | -67.5 | -22.5 | 0 | 0 | 0 | 111.1 | K260 E261 N267 V268 | K260-D264 PolarHBondContact O-N 3.38Å; E261-D264 PolarHBondContact O-N 3.25Å; D264-N267 PolarHBondContact O-N 2.98Å; D264-V268 WeakPolarHBondContact O-CG2 3.45Å; D264-V268 PolarHBondContact O-N 3.12Å |
| 265 | R | 88 | Confident | 88.2 | Confident | 139 Ų | 139 | 109.4 Ų | 109.4 | 53% | 0.525 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.3 | -42.5 | 170.3 | -79.2 | 179.7 | 177.8 | -173.2 | 4.3 | 113.2 | E261 M262 V268 L269 | E261-R265 WeakPolarHBondContact O-CB 3.42Å; E261-R265 WeakPolarHBondContact O-CG 3.14Å; E261-R265 PolarHBondContact O-N 3.41Å; E261-R265 IonicContact OE1-CZ 3.15Å; E261-R265 IonicContact OE1-NE 2.68Å; E261-R265 IonicContact OE1-NH2 2.78Å; E261-R265 PolarHBondContact OE1-NH2 2.91Å; M262-R265 PolarHBondContact O-N 2.86Å; R265-V268 PolarHBondContact O-N 2.81Å; R265-L269 WeakPolarHBondContact O-CG 3.34Å; R265-L269 PolarHBondContact O-N 2.97Å; R265-L269 VanDerWaalsContact O-N 3.07Å |
| 266 | I | 86.5 | Confident | 88.1 | Confident | 103 Ų | 103 | 108.2 Ų | 108.2 | 53% | 0.528 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.8 | -46.6 | 175.1 | -71.4 | 164.1 | 0 | 0 | 0 | 110.1 | M262 R263 V268 L269 Q270 | M262-I266 VanDerWaalsContact O-CG1 3.29Å; M262-I266 WeakPolarHBondContact O-CG1 3.27Å; M262-I266 PolarHBondContact O-N 2.9Å; R263-I266 PolarHBondContact O-N 2.92Å; I266-V268 VanDerWaalsContact C-N 3.31Å; I266-V268 PolarHBondContact O-N 3.42Å; I266-L269 PolarHBondContact O-N 3.38Å; I266-Q270 WeakPolarHBondContact O-CB 3.43Å; I266-Q270 PolarHBondContact O-N 3.17Å |
| 267 | N | 87.9 | Confident | 87.9 | Confident | 91 Ų | 91 | 103.4 Ų | 103.4 | 49% | 0.487 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.8 | -36.7 | 178.7 | -67.8 | -21.9 | 0 | 0 | 0 | 112.9 | R263 D264 P271 | R263-N267 VanDerWaalsContact O-CG 3.23Å; R263-N267 PolarHBondContact O-N 3.07Å; R263-N267 PolarHBondContact O-ND2 2.77Å; D264-N267 PolarHBondContact O-N 2.98Å; N267-P271 VanDerWaalsContact O-CD 3.26Å; N267-P271 WeakPolarHBondContact O-CD 3.38Å |
| 268 | V | 84.9 | Confident | 87.8 | Confident | 114 Ų | 114 | 103.9 Ų | 103.9 | 69% | 0.691 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -73.1 | -34.6 | 176.9 | 170.9 | 0 | 0 | 0 | 0 | 112.5 | D264 R265 I266 | D264-V268 WeakPolarHBondContact O-CG2 3.45Å; D264-V268 PolarHBondContact O-N 3.12Å; R265-V268 PolarHBondContact O-N 2.81Å; I266-V268 VanDerWaalsContact C-N 3.31Å; I266-V268 PolarHBondContact O-N 3.42Å |
| 269 | L | 83.3 | Confident | 87.7 | Confident | 117 Ų | 117 | 104.7 Ų | 104.7 | 61% | 0.613 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -81.5 | -25.1 | -178.8 | -69.8 | 172.2 | 0 | 0 | 0 | 113.4 | R265 I266 S272 R273 | R265-L269 WeakPolarHBondContact O-CG 3.34Å; R265-L269 PolarHBondContact O-N 2.97Å; R265-L269 VanDerWaalsContact O-N 3.07Å; I266-L269 PolarHBondContact O-N 3.38Å; L269-S272 WeakPolarHBondContact O-CB 3.37Å; L269-S272 PolarHBondContact O-N 3.49Å; L269-R273 PolarHBondContact O-N 3.22Å |
| 270 | Q | 85.3 | Confident | 87.6 | Confident | 94 Ų | 94 | 102 Ų | 102 | 44% | 0.439 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.2 | -44.6 | -175 | -178.2 | 161.6 | -15.1 | 0 | 0 | 114.2 | I266 S272 R273 E274 | I266-Q270 WeakPolarHBondContact O-CB 3.43Å; I266-Q270 PolarHBondContact O-N 3.17Å; Q270-S272 VanDerWaalsContact C-N 3.27Å; Q270-S272 PolarHBondContact O-N 3Å; Q270-R273 WeakPolarHBondContact O-CB 3.36Å; Q270-R273 PolarHBondContact O-N 3.41Å; Q270-E274 VanDerWaalsContact CG-OE1 3.31Å; Q270-E274 WeakPolarHBondContact CG-OE1 3.41Å; Q270-E274 PolarHBondContact NE2-OE1 2.75Å; Q270-E274 VanDerWaalsContact NE2-OE1 3.1Å; Q270-E274 PolarHBondContact O-N 2.86Å |
| 271 | P | 87.3 | Confident | 87.5 | Confident | 81 Ų | 81 | 100.8 Ų | 100.8 | 53% | 0.526 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.8 | -30.4 | 173.4 | -23.7 | 34.4 | 0 | 0 | 0 | 113.8 | N267 K275 | N267-P271 VanDerWaalsContact O-CD 3.26Å; N267-P271 WeakPolarHBondContact O-CD 3.38Å; P271-K275 WeakPolarHBondContact O-CB 3.36Å; P271-K275 PolarHBondContact O-N 3.01Å |
| 272 | S | 85 | Confident | 87.5 | Confident | 61 Ų | 61 | 101.8 Ų | 101.8 | 43% | 0.427 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -70.3 | -39.9 | 175.3 | -171.8 | 0 | 0 | 0 | 0 | 111.3 | L269 Q270 K275 Q276 | L269-S272 WeakPolarHBondContact O-CB 3.37Å; L269-S272 PolarHBondContact O-N 3.49Å; Q270-S272 VanDerWaalsContact C-N 3.27Å; Q270-S272 PolarHBondContact O-N 3Å; S272-K275 PolarHBondContact O-N 3.13Å; S272-Q276 WeakPolarHBondContact O-CG 3.47Å; S272-Q276 PolarHBondContact O-N 3.46Å |
| 273 | R | 88.1 | Confident | 87.5 | Confident | 152 Ų | 152 | 103.4 Ų | 103.4 | 57% | 0.574 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.9 | -48.5 | 174.2 | -175.3 | -166.7 | 170.7 | -134.3 | -8.5 | 110.9 | L269 Q270 K275 Q276 Q277 | L269-R273 PolarHBondContact O-N 3.22Å; Q270-R273 WeakPolarHBondContact O-CB 3.36Å; Q270-R273 PolarHBondContact O-N 3.41Å; R273-K275 VanDerWaalsContact C-N 3.31Å; R273-K275 PolarHBondContact O-N 3.29Å; R273-Q276 PolarHBondContact O-N 2.88Å; R273-Q276 VanDerWaalsContact O-N 3.14Å; R273-Q277 WeakPolarHBondContact O-CB 3.12Å; R273-Q277 PolarHBondContact O-N 3.49Å |
| 274 | E | 88 | Confident | 87.4 | Confident | 99 Ų | 99 | 100 Ų | 100 | 46% | 0.463 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60 | -41.3 | 179.1 | -72.3 | 165.1 | -169.2 | 0 | 0 | 111.3 | Q270 Q276 Q277 I278 | Q270-E274 VanDerWaalsContact CG-OE1 3.31Å; Q270-E274 WeakPolarHBondContact CG-OE1 3.41Å; Q270-E274 PolarHBondContact NE2-OE1 2.75Å; Q270-E274 VanDerWaalsContact NE2-OE1 3.1Å; Q270-E274 PolarHBondContact O-N 2.86Å; E274-Q276 PolarHBondContact O-N 2.66Å; E274-Q277 WeakPolarHBondContact O-CB 3.46Å; E274-Q277 PolarHBondContact O-N 2.92Å; E274-I278 WeakPolarHBondContact O-CG1 3.41Å; E274-I278 PolarHBondContact O-N 2.77Å; E274-I278 VanDerWaalsContact O-N 3.12Å |
| 275 | K | 88.6 | Confident | 87.3 | Confident | 144 Ų | 144 | 102.9 Ų | 102.9 | 63% | 0.626 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.2 | -38.4 | 173.8 | -172.7 | 173.8 | -177.6 | 175.6 | 0 | 113.6 | P271 S272 R273 Q279 | P271-K275 WeakPolarHBondContact O-CB 3.36Å; P271-K275 PolarHBondContact O-N 3.01Å; S272-K275 PolarHBondContact O-N 3.13Å; R273-K275 VanDerWaalsContact C-N 3.31Å; R273-K275 PolarHBondContact O-N 3.29Å; K275-Q279 PolarHBondContact O-N 3.01Å |
| 276 | Q | 86.1 | Confident | 87.3 | Confident | 77 Ų | 77 | 98.4 Ų | 98.4 | 36% | 0.36 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -71.4 | -34.1 | 176.4 | -73.1 | 179 | -87.3 | 0 | 0 | 112.2 | S272 R273 E274 Q279 I280 | S272-Q276 WeakPolarHBondContact O-CG 3.47Å; S272-Q276 PolarHBondContact O-N 3.46Å; R273-Q276 PolarHBondContact O-N 2.88Å; R273-Q276 VanDerWaalsContact O-N 3.14Å; E274-Q276 PolarHBondContact O-N 2.66Å; Q276-Q279 PolarHBondContact O-N 3.5Å; Q276-I280 VanDerWaalsContact O-CG1 3.31Å; Q276-I280 WeakPolarHBondContact O-CG1 3.43Å; Q276-I280 PolarHBondContact O-N 3.23Å |
| 277 | Q | 88.6 | Confident | 87.3 | Confident | 66 Ų | 66 | 97 Ų | 97 | 31% | 0.308 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.3 | -48.2 | 173.9 | -171.4 | 70.3 | 34.6 | 0 | 0 | 110.7 | R273 E274 Q279 I280 E281 | R273-Q277 WeakPolarHBondContact O-CB 3.12Å; R273-Q277 PolarHBondContact O-N 3.49Å; E274-Q277 WeakPolarHBondContact O-CB 3.46Å; E274-Q277 PolarHBondContact O-N 2.92Å; Q277-Q279 PolarHBondContact O-N 3.15Å; Q277-I280 PolarHBondContact O-N 3Å; Q277-I280 VanDerWaalsContact O-N 3.1Å; Q277-E281 WeakPolarHBondContact CG-OE1 3.38Å; Q277-E281 PolarHBondContact NE2-OE1 3.22Å; Q277-E281 PolarHBondContact O-N 2.95Å |
| 278 | I | 88.6 | Confident | 87.2 | Confident | 92 Ų | 92 | 99.1 Ų | 99.1 | 47% | 0.472 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.1 | -45.1 | 175.7 | -65.6 | 164.6 | 0 | 0 | 0 | 111 | E274 I280 E281 E282 | E274-I278 WeakPolarHBondContact O-CG1 3.41Å; E274-I278 PolarHBondContact O-N 2.77Å; E274-I278 VanDerWaalsContact O-N 3.12Å; I278-I280 VanDerWaalsContact C-N 3.28Å; I278-I280 PolarHBondContact O-N 3.39Å; I278-E281 PolarHBondContact O-N 3.45Å; I278-E282 HydrophobicContact CG2-CG 4.32Å; I278-E282 WeakPolarHBondContact O-CG 3.42Å; I278-E282 PolarHBondContact O-N 3.46Å |
| 279 | Q | 87.7 | Confident | 87.2 | Confident | 103 Ų | 103 | 97.8 Ų | 97.8 | 48% | 0.481 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.1 | -30 | 176.4 | -74 | -166.5 | -48.3 | 0 | 0 | 113.7 | K275 Q276 Q277 L283 | K275-Q279 PolarHBondContact O-N 3.01Å; Q276-Q279 PolarHBondContact O-N 3.5Å; Q277-Q279 PolarHBondContact O-N 3.15Å; Q279-L283 WeakPolarHBondContact O-CB 3.37Å; Q279-L283 WeakPolarHBondContact O-CD1 3.3Å; Q279-L283 WeakPolarHBondContact O-CG 3.46Å; Q279-L283 PolarHBondContact O-N 3.31Å; Q279-L283 VanDerWaalsContact O-N 3.1Å |
| 280 | I | 86.8 | Confident | 87.2 | Confident | 59 Ų | 59 | 97 Ų | 97 | 30% | 0.303 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -72.1 | -40.6 | 174.6 | -71.1 | 164.9 | 0 | 0 | 0 | 110.1 | Q276 Q277 I278 L283 L284 | Q276-I280 VanDerWaalsContact O-CG1 3.31Å; Q276-I280 WeakPolarHBondContact O-CG1 3.43Å; Q276-I280 PolarHBondContact O-N 3.23Å; Q277-I280 PolarHBondContact O-N 3Å; Q277-I280 VanDerWaalsContact O-N 3.1Å; I278-I280 VanDerWaalsContact C-N 3.28Å; I278-I280 PolarHBondContact O-N 3.39Å; I280-L283 PolarHBondContact O-N 2.99Å; I280-L284 HydrophobicContact CG2-CD1 4Å; I280-L284 HydrophobicContact CG2-CG 4.46Å; I280-L284 WeakPolarHBondContact O-CB 3.49Å; I280-L284 VanDerWaalsContact O-CG 3.28Å; I280-L284 WeakPolarHBondContact O-CG 3.1Å; I280-L284 PolarHBondContact O-N 3.17Å |
| 281 | E | 88.9 | Confident | 87.1 | Confident | 95 Ų | 95 | 97.5 Ų | 97.5 | 44% | 0.444 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.3 | -46.3 | 175.9 | -73.6 | 162.1 | -162.6 | 0 | 0 | 111.3 | Q277 I278 L283 L284 E285 | Q277-E281 WeakPolarHBondContact CG-OE1 3.38Å; Q277-E281 PolarHBondContact NE2-OE1 3.22Å; Q277-E281 PolarHBondContact O-N 2.95Å; I278-E281 PolarHBondContact O-N 3.45Å; E281-L283 VanDerWaalsContact C-N 3.3Å; E281-L283 PolarHBondContact O-N 2.98Å; E281-L284 PolarHBondContact O-N 3.28Å; E281-L284 VanDerWaalsContact O-N 3.14Å; E281-E285 PolarHBondContact O-N 3.27Å |
| 282 | E | 90.6 | Very high | 86.7 | Confident | 114 Ų | 114 | 99.5 Ų | 99.5 | 53% | 0.533 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -56.1 | -40.1 | 171.9 | -72.4 | 174 | 167.6 | 0 | 0 | 112.7 | I278 A286 | I278-E282 HydrophobicContact CG2-CG 4.32Å; I278-E282 WeakPolarHBondContact O-CG 3.42Å; I278-E282 PolarHBondContact O-N 3.46Å; E282-A286 VanDerWaalsContact O-CB 3.28Å; E282-A286 WeakPolarHBondContact O-CB 3.46Å; E282-A286 PolarHBondContact O-N 3.45Å |
| 283 | L | 87 | Confident | 86.4 | Confident | 121 Ų | 121 | 103 Ų | 103 | 63% | 0.634 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -75 | -30.6 | 177.9 | -75.9 | 171.7 | 0 | 0 | 0 | 113.1 | Q279 I280 E281 N287 | Q279-L283 WeakPolarHBondContact O-CB 3.37Å; Q279-L283 WeakPolarHBondContact O-CD1 3.3Å; Q279-L283 WeakPolarHBondContact O-CG 3.46Å; Q279-L283 PolarHBondContact O-N 3.31Å; Q279-L283 VanDerWaalsContact O-N 3.1Å; I280-L283 PolarHBondContact O-N 2.99Å; E281-L283 VanDerWaalsContact C-N 3.3Å; E281-L283 PolarHBondContact O-N 2.98Å; L283-N287 WeakPolarHBondContact O-CB 3.46Å; L283-N287 PolarHBondContact O-N 3.03Å |
| 284 | L | 88.2 | Confident | 85.7 | Confident | 100 Ų | 100 | 100.6 Ų | 100.6 | 52% | 0.524 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -69.2 | -47.4 | 173.1 | -75.4 | 168.5 | 0 | 0 | 0 | 110.6 | I280 E281 A286 N287 E288 | I280-L284 HydrophobicContact CG2-CD1 4Å; I280-L284 HydrophobicContact CG2-CG 4.46Å; I280-L284 WeakPolarHBondContact O-CB 3.49Å; I280-L284 VanDerWaalsContact O-CG 3.28Å; I280-L284 WeakPolarHBondContact O-CG 3.1Å; I280-L284 PolarHBondContact O-N 3.17Å; E281-L284 PolarHBondContact O-N 3.28Å; E281-L284 VanDerWaalsContact O-N 3.14Å; L284-A286 VanDerWaalsContact C-N 3.31Å; L284-A286 PolarHBondContact O-N 3.5Å; L284-N287 PolarHBondContact O-N 3.36Å; L284-E288 PolarHBondContact O-N 3.4Å |
| 285 | E | 88.4 | Confident | 85.1 | Confident | 138 Ų | 138 | 101.2 Ų | 101.2 | 65% | 0.645 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -58.5 | -42.3 | 173.4 | -70.9 | -175.7 | 175 | 0 | 0 | 111.7 | E281 N287 E288 L289 | E281-E285 PolarHBondContact O-N 3.27Å; E285-N287 VanDerWaalsContact C-N 3.3Å; E285-N287 PolarHBondContact O-N 2.89Å; E285-E288 PolarHBondContact O-N 3.42Å; E285-L289 WeakPolarHBondContact O-CB 3.36Å; E285-L289 PolarHBondContact O-N 2.89Å |
| 286 | A | 87.4 | Confident | 84.2 | Confident | 45 Ų | 45 | 99 Ų | 99 | 37% | 0.372 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.1 | -32.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | E282 L284 L290 | E282-A286 VanDerWaalsContact O-CB 3.28Å; E282-A286 WeakPolarHBondContact O-CB 3.46Å; E282-A286 PolarHBondContact O-N 3.45Å; L284-A286 VanDerWaalsContact C-N 3.31Å; L284-A286 PolarHBondContact O-N 3.5Å; A286-L290 WeakPolarHBondContact O-CG 3.44Å; A286-L290 PolarHBondContact O-N 3.47Å; A286-L290 VanDerWaalsContact O-N 3.12Å |
| 287 | N | 87 | Confident | 83 | Confident | 74 Ų | 74 | 100 Ų | 100 | 40% | 0.396 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -76.7 | -41.4 | 176.5 | -167.9 | 67.3 | 0 | 0 | 0 | 112 | L283 L284 E285 L289 L290 E291 | L283-N287 WeakPolarHBondContact O-CB 3.46Å; L283-N287 PolarHBondContact O-N 3.03Å; L284-N287 PolarHBondContact O-N 3.36Å; E285-N287 VanDerWaalsContact C-N 3.3Å; E285-N287 PolarHBondContact O-N 2.89Å; N287-L289 VanDerWaalsContact C-N 3.27Å; N287-L289 PolarHBondContact O-N 3.24Å; N287-L290 CarbonylContact O-C 3.55Å; N287-L290 WeakPolarHBondContact O-CA 3.46Å; N287-L290 WeakPolarHBondContact O-CB 3.43Å; N287-L290 PolarHBondContact O-N 2.93Å; N287-E291 PolarHBondContact ND2-OE1 3.43Å; N287-E291 PolarHBondContact O-N 2.98Å |
| 288 | E | 85.7 | Confident | 81.8 | Confident | 135 Ų | 135 | 104.5 Ų | 104.5 | 63% | 0.631 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -58.6 | -39.8 | 171.4 | -72 | -177.3 | -179.2 | 0 | 0 | 111.1 | L284 E285 L290 E291 F292 | L284-E288 PolarHBondContact O-N 3.4Å; E285-E288 PolarHBondContact O-N 3.42Å; E288-L290 VanDerWaalsContact C-N 3.33Å; E288-L290 PolarHBondContact O-N 3.47Å; E288-E291 PolarHBondContact O-N 3.5Å; E288-F292 WeakPolarHBondContact O-CB 3.34Å; E288-F292 PolarHBondContact O-N 3.1Å |
| 289 | L | 85.5 | Confident | 80.3 | Confident | 87 Ų | 87 | 104.5 Ų | 104.5 | 46% | 0.455 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67 | -30.6 | 173.7 | -174.7 | 65 | 0 | 0 | 0 | 113.3 | E285 N287 R293 | E285-L289 WeakPolarHBondContact O-CB 3.36Å; E285-L289 PolarHBondContact O-N 2.89Å; N287-L289 VanDerWaalsContact C-N 3.27Å; N287-L289 PolarHBondContact O-N 3.24Å; L289-R293 WeakPolarHBondContact O-CG 3.44Å; L289-R293 PolarHBondContact O-N 3.06Å; L289-R293 VanDerWaalsContact O-N 3.17Å |
| 290 | L | 82.8 | Confident | 78.3 | Confident | 99 Ų | 99 | 102.7 Ų | 102.7 | 52% | 0.518 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -75.2 | -41.8 | 173.8 | -78.8 | 169.5 | 0 | 0 | 0 | 111.8 | A286 N287 E288 F292 R293 L294 | A286-L290 WeakPolarHBondContact O-CG 3.44Å; A286-L290 PolarHBondContact O-N 3.47Å; A286-L290 VanDerWaalsContact O-N 3.12Å; N287-L290 CarbonylContact O-C 3.55Å; N287-L290 WeakPolarHBondContact O-CA 3.46Å; N287-L290 WeakPolarHBondContact O-CB 3.43Å; N287-L290 PolarHBondContact O-N 2.93Å; E288-L290 VanDerWaalsContact C-N 3.33Å; E288-L290 PolarHBondContact O-N 3.47Å; L290-F292 VanDerWaalsContact C-N 3.35Å; L290-R293 PolarHBondContact O-N 3.14Å; L290-L294 WeakPolarHBondContact O-CG 3.48Å; L290-L294 PolarHBondContact O-N 2.98Å |
| 291 | E | 82 | Confident | 76.4 | Confident | 105 Ų | 105 | 106 Ų | 106 | 49% | 0.491 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.4 | -42.2 | 173.7 | -73.8 | 179.1 | -165.5 | 0 | 0 | 111.1 | N287 E288 R293 L294 L295 | N287-E291 PolarHBondContact ND2-OE1 3.43Å; N287-E291 PolarHBondContact O-N 2.98Å; E288-E291 PolarHBondContact O-N 3.5Å; E291-R293 PolarHBondContact O-N 2.88Å; E291-L294 PolarHBondContact O-N 3.12Å; E291-L295 WeakPolarHBondContact O-CG 3.37Å; E291-L295 PolarHBondContact O-N 3.07Å |
| 292 | F | 80.5 | Confident | 74.5 | Confident | 123 Ų | 123 | 105.8 Ų | 105.8 | 54% | 0.539 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -58.3 | -45.7 | 172.4 | -171.5 | -94.6 | 0 | 0 | 0 | 112 | E288 L290 L294 L295 E296 | E288-F292 WeakPolarHBondContact O-CB 3.34Å; E288-F292 PolarHBondContact O-N 3.1Å; L290-F292 VanDerWaalsContact C-N 3.35Å; F292-L294 PolarHBondContact O-N 2.68Å; F292-L295 PolarHBondContact O-N 2.82Å; F292-E296 HydrophobicContact CD1-CG 4.22Å; F292-E296 HydrophobicContact CE1-CG 3.96Å; F292-E296 WeakPolarHBondContact CE1-OE1 3.46Å; F292-E296 WeakPolarHBondContact O-CG 3.28Å; F292-E296 PolarHBondContact O-N 3.43Å |
| 293 | R | 78.1 | Confident | 72.5 | Confident | 134 Ų | 134 | 105 Ų | 105 | 51% | 0.506 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67.5 | -31.1 | 175.9 | -81 | 173.7 | 170 | 148.4 | -0.1 | 113.9 | L289 L290 E291 L297 | L289-R293 WeakPolarHBondContact O-CG 3.44Å; L289-R293 PolarHBondContact O-N 3.06Å; L289-R293 VanDerWaalsContact O-N 3.17Å; L290-R293 PolarHBondContact O-N 3.14Å; E291-R293 PolarHBondContact O-N 2.88Å; R293-L297 WeakPolarHBondContact O-CB 3.5Å; R293-L297 WeakPolarHBondContact O-CD1 3.28Å; R293-L297 VanDerWaalsContact O-CG 3.23Å; R293-L297 WeakPolarHBondContact O-CG 3.49Å; R293-L297 PolarHBondContact O-N 2.93Å |
| 294 | L | 74 | Confident | 70.5 | Confident | 102 Ų | 102 | 103 Ų | 103 | 53% | 0.534 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68.8 | -42.9 | 173.4 | -74.5 | 169.4 | 0 | 0 | 0 | 110.6 | L290 E291 F292 L297 E298 | L290-L294 WeakPolarHBondContact O-CG 3.48Å; L290-L294 PolarHBondContact O-N 2.98Å; E291-L294 PolarHBondContact O-N 3.12Å; F292-L294 PolarHBondContact O-N 2.68Å; L294-L297 PolarHBondContact O-N 3.15Å; L294-L297 VanDerWaalsContact O-N 3.15Å; L294-E298 WeakPolarHBondContact O-CG 3.48Å; L294-E298 PolarHBondContact O-N 2.7Å |
| 295 | L | 74.1 | Confident | 68.6 | Low | 112 Ų | 112 | 102.1 Ų | 102.1 | 59% | 0.586 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -61.3 | -42.5 | 172.9 | -74.8 | 161.6 | 0 | 0 | 0 | 112.1 | E291 F292 L297 E298 S299 | E291-L295 WeakPolarHBondContact O-CG 3.37Å; E291-L295 PolarHBondContact O-N 3.07Å; F292-L295 PolarHBondContact O-N 2.82Å; L295-L297 VanDerWaalsContact C-N 3.33Å; L295-L297 PolarHBondContact O-N 3.01Å; L295-E298 PolarHBondContact O-N 2.95Å; L295-S299 WeakPolarHBondContact O-CB 3Å; L295-S299 PolarHBondContact O-N 3.45Å; L295-S299 PolarHBondContact O-OG 2.93Å |
| 296 | E | 70.5 | Confident | 66.8 | Low | 98 Ų | 98 | 102.3 Ų | 102.3 | 46% | 0.458 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -57.8 | -44.5 | 171.6 | -74.4 | -176.5 | 138.3 | 0 | 0 | 111.6 | F292 S299 | F292-E296 HydrophobicContact CD1-CG 4.22Å; F292-E296 HydrophobicContact CE1-CG 3.96Å; F292-E296 WeakPolarHBondContact CE1-OE1 3.46Å; F292-E296 WeakPolarHBondContact O-CG 3.28Å; F292-E296 PolarHBondContact O-N 3.43Å; E296-S299 PolarHBondContact O-N 2.95Å; E296-S299 PolarHBondContact O-OG 3.25Å |
| 297 | L | 60.4 | Low | 65.1 | Low | 99 Ų | 99 | 104.4 Ų | 104.4 | 52% | 0.518 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -69.9 | -35.2 | -179.8 | -74.8 | 168 | 0 | 0 | 0 | 113.7 | R293 L294 L295 S299 | R293-L297 WeakPolarHBondContact O-CB 3.5Å; R293-L297 WeakPolarHBondContact O-CD1 3.28Å; R293-L297 VanDerWaalsContact O-CG 3.23Å; R293-L297 WeakPolarHBondContact O-CG 3.49Å; R293-L297 PolarHBondContact O-N 2.93Å; L294-L297 PolarHBondContact O-N 3.15Å; L294-L297 VanDerWaalsContact O-N 3.15Å; L295-L297 VanDerWaalsContact C-N 3.33Å; L295-L297 PolarHBondContact O-N 3.01Å; L297-S299 VanDerWaalsContact C-N 3.32Å |
| 298 | E | 63.1 | Low | 63.4 | Low | 160 Ų | 160 | 104 Ų | 104 | 75% | 0.748 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -70.3 | -29.9 | 173.4 | -73.2 | -174.7 | 162 | 0 | 0 | 111.9 | L294 L295 C300 | L294-E298 WeakPolarHBondContact O-CG 3.48Å; L294-E298 PolarHBondContact O-N 2.7Å; L295-E298 PolarHBondContact O-N 2.95Å; E298-C300 VanDerWaalsContact C-N 3.27Å; E298-C300 PolarHBondContact O-N 3.47Å |
| 299 | S | 57.9 | Low | 62 | Low | 92 Ų | 92 | 99.7 Ų | 99.7 | 64% | 0.643 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -5.3 | 179.1 | 77.7 | 0 | 0 | 0 | 0 | 115.3 | L295 E296 L297 | L295-S299 WeakPolarHBondContact O-CB 3Å; L295-S299 PolarHBondContact O-N 3.45Å; L295-S299 PolarHBondContact O-OG 2.93Å; E296-S299 PolarHBondContact O-N 2.95Å; E296-S299 PolarHBondContact O-OG 3.25Å; L297-S299 VanDerWaalsContact C-N 3.32Å |
| 300 | C | 45.2 | Very low | 61.1 | Low | 65 Ų | 65 | 102.1 Ų | 102.1 | 44% | 0.439 | 57% | 0.569 | S | S | . | * | trans | -125.8 | 89.8 | -173.4 | -157 | 0 | 0 | 0 | 0 | 113.2 | E298 A302 | E298-C300 VanDerWaalsContact C-N 3.27Å; E298-C300 PolarHBondContact O-N 3.47Å; C300-A302 PolarHBondContact O-N 2.94Å | ||
| 301 | P | 46.3 | Very low | 60.2 | Low | 129 Ų | 129 | 104.8 Ų | 104.8 | 84% | 0.838 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | 15.2 | -168 | -23 | 34.8 | 0 | 0 | 0 | 118.2 | ||
| 302 | A | 49.2 | Very low | 59.5 | Low | 90 Ų | 90 | 102.9 Ų | 102.9 | 74% | 0.744 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.4 | -6.9 | -163.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | C300 | C300-A302 PolarHBondContact O-N 2.94Š|
| 303 | V | 48.9 | Very low | 59.3 | Low | 98 Ų | 98 | 101.3 Ų | 101.3 | 59% | 0.594 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -121.2 | -14.9 | -167.2 | -172.8 | 0 | 0 | 0 | 0 | 114.5 | ||
| 304 | T | 45.9 | Very low | 59.2 | Low | 79 Ų | 79 | 98.6 Ų | 98.6 | 49% | 0.485 | 56% | 0.564 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.4 | -12.7 | -170.6 | 47.4 | 0 | 0 | 0 | 0 | 115.8 | S308 | T304-S308 PolarHBondContact O-OG 2.88Š|
| 305 | A | 47 | Very low | 59.2 | Low | 80 Ų | 80 | 99.3 Ų | 99.3 | 66% | 0.661 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -75.1 | -24.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | S308 | A305-S308 PolarHBondContact O-OG 3.47Å |
| 306 | Q | 50.9 | Low | 59.5 | Low | 143 Ų | 143 | 98.8 Ų | 98.8 | 67% | 0.668 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -91.1 | -17.6 | -171.7 | -140.1 | -174.8 | 52.8 | 0 | 0 | 114 | K310 | Q306-K310 WeakPolarHBondContact O-CG 3.26Å |
| 307 | T | 52 | Low | 60 | Low | 88 Ų | 88 | 102 Ų | 102 | 54% | 0.54 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -92.6 | -30.7 | 179.8 | 42.3 | 0 | 0 | 0 | 0 | 113.1 | K311 | T307-K311 PolarHBondContact O-N 3.17Å |
| 308 | S | 51.2 | Low | 60.9 | Low | 65 Ų | 65 | 103.3 Ų | 103.3 | 46% | 0.455 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.1 | -48.7 | 171 | 54.2 | 0 | 0 | 0 | 0 | 111.4 | T304 A305 K310 K311 V312 | T304-S308 PolarHBondContact O-OG 2.88Å; A305-S308 PolarHBondContact O-OG 3.47Å; S308-K310 VanDerWaalsContact C-N 3.28Å; S308-K310 PolarHBondContact O-N 3.49Å; S308-K311 PolarHBondContact O-N 2.94Å; S308-V312 PolarHBondContact O-N 3.39Å |
| 309 | A | 56.7 | Low | 61.6 | Low | 46 Ų | 46 | 100.7 Ų | 100.7 | 38% | 0.38 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -56.4 | -38.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | V312 N313 | A309-V312 PolarHBondContact O-N 3.46Å; A309-N313 WeakPolarHBondContact O-CB 3.49Å; A309-N313 PolarHBondContact O-N 3.34Å; A309-N313 PolarHBondContact O-ND2 2.75Å |
| 310 | K | 65.7 | Low | 62.8 | Low | 138 Ų | 138 | 100.8 Ų | 100.8 | 60% | 0.6 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -67.8 | -31.6 | 175.3 | -77.2 | 175.7 | 180 | 171.7 | 0 | 113.4 | Q306 S308 N314 | Q306-K310 WeakPolarHBondContact O-CG 3.26Å; S308-K310 VanDerWaalsContact C-N 3.28Å; S308-K310 PolarHBondContact O-N 3.49Å; K310-N314 WeakPolarHBondContact O-CB 3.49Å; K310-N314 PolarHBondContact O-N 3.32Å |
| 311 | K | 65.4 | Low | 64.5 | Low | 154 Ų | 154 | 103.2 Ų | 103.2 | 67% | 0.67 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -72.7 | -43.7 | 174.1 | -78.7 | -176.6 | 175.9 | 179.1 | 0 | 111.6 | T307 S308 N314 M315 | T307-K311 PolarHBondContact O-N 3.17Å; S308-K311 PolarHBondContact O-N 2.94Å; K311-N314 WeakPolarHBondContact O-CB 3.36Å; K311-N314 PolarHBondContact O-N 3.11Å; K311-N314 VanDerWaalsContact O-N 3.1Å; K311-M315 WeakPolarHBondContact O-CG 3.34Å; K311-M315 PolarHBondContact O-N 2.92Å |
| 312 | V | 67.7 | Low | 65.7 | Low | 65 Ų | 65 | 102.1 Ų | 102.1 | 39% | 0.394 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -59.7 | -51.5 | 176.6 | 177.3 | 0 | 0 | 0 | 0 | 110.8 | S308 A309 N314 M315 E316 | S308-V312 PolarHBondContact O-N 3.39Å; A309-V312 PolarHBondContact O-N 3.46Å; V312-N314 PolarHBondContact O-N 2.95Å; V312-M315 HydrophobicContact CG2-CE 4.35Å; V312-M315 PolarHBondContact O-N 2.87Å; V312-E316 HydrophobicContact CG1-CG 4.31Å; V312-E316 WeakPolarHBondContact O-CG 3.31Å; V312-E316 PolarHBondContact O-N 3.38Å |
| 313 | N | 75 | Confident | 66.9 | Low | 90 Ų | 90 | 103.8 Ų | 103.8 | 48% | 0.481 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.6 | -12.6 | 174.9 | -83 | -89.3 | 0 | 0 | 0 | 115 | A309 E316 R317 | A309-N313 WeakPolarHBondContact O-CB 3.49Å; A309-N313 PolarHBondContact O-N 3.34Å; A309-N313 PolarHBondContact O-ND2 2.75Å; N313-E316 WeakPolarHBondContact CA-OE2 3.37Å; N313-R317 PolarHBondContact O-NE 3.37Å; N313-R317 PolarHBondContact O-NH2 3Å |
| 314 | N | 76.5 | Confident | 68.2 | Low | 78 Ų | 78 | 101.4 Ų | 101.4 | 42% | 0.417 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -92.9 | -37.3 | 173.5 | -166.2 | 3.4 | 0 | 0 | 0 | 111 | K310 K311 V312 K318 | K310-N314 WeakPolarHBondContact O-CB 3.49Å; K310-N314 PolarHBondContact O-N 3.32Å; K311-N314 WeakPolarHBondContact O-CB 3.36Å; K311-N314 PolarHBondContact O-N 3.11Å; K311-N314 VanDerWaalsContact O-N 3.1Å; V312-N314 PolarHBondContact O-N 2.95Å; N314-K318 WeakPolarHBondContact O-CG 3.49Å; N314-K318 PolarHBondContact O-N 3.5Å |
| 315 | M | 73.8 | Confident | 69.4 | Low | 117 Ų | 117 | 102.8 Ų | 102.8 | 58% | 0.576 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -68.1 | -41.4 | 173.7 | -64.9 | -173.4 | -58.6 | 0 | 0 | 111.8 | K311 V312 K318 L319 | K311-M315 WeakPolarHBondContact O-CG 3.34Å; K311-M315 PolarHBondContact O-N 2.92Å; V312-M315 HydrophobicContact CG2-CE 4.35Å; V312-M315 PolarHBondContact O-N 2.87Å; M315-K318 PolarHBondContact O-N 3.04Å; M315-L319 PolarHBondContact O-N 2.89Å |
| 316 | E | 79.8 | Confident | 70.3 | Confident | 101 Ų | 101 | 105.5 Ų | 105.5 | 47% | 0.472 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.9 | -44.7 | 174.9 | -69.7 | 167.4 | 150.4 | 0 | 0 | 111.4 | V312 N313 K318 L319 V320 | V312-E316 HydrophobicContact CG1-CG 4.31Å; V312-E316 WeakPolarHBondContact O-CG 3.31Å; V312-E316 PolarHBondContact O-N 3.38Å; N313-E316 WeakPolarHBondContact CA-OE2 3.37Å; E316-K318 VanDerWaalsContact C-N 3.34Å; E316-K318 PolarHBondContact O-N 3.37Å; E316-L319 PolarHBondContact O-N 3.36Å; E316-V320 WeakPolarHBondContact O-CG2 3.38Å; E316-V320 PolarHBondContact O-N 3.48Å |
| 317 | R | 81 | Confident | 71.2 | Confident | 165 Ų | 165 | 104.8 Ų | 104.8 | 62% | 0.623 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.9 | -39.7 | 173.7 | -86 | -175.7 | -71.9 | 157.7 | -4.4 | 113 | N313 V320 E321 | N313-R317 PolarHBondContact O-NE 3.37Å; N313-R317 PolarHBondContact O-NH2 3Å; R317-V320 PolarHBondContact O-N 3.25Å; R317-E321 WeakPolarHBondContact O-CB 3.47Å; R317-E321 PolarHBondContact O-N 3.44Å |
| 318 | K | 80.7 | Confident | 71.6 | Confident | 126 Ų | 126 | 104.3 Ų | 104.3 | 55% | 0.548 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.6 | -33.2 | 175.8 | -76.9 | -174 | 174.9 | -166.5 | 0 | 113.4 | N314 M315 E316 L322 | N314-K318 WeakPolarHBondContact O-CG 3.49Å; N314-K318 PolarHBondContact O-N 3.5Å; M315-K318 PolarHBondContact O-N 3.04Å; E316-K318 VanDerWaalsContact C-N 3.34Å; E316-K318 PolarHBondContact O-N 3.37Å; K318-L322 WeakPolarHBondContact O-CB 3.35Å; K318-L322 WeakPolarHBondContact O-CG 3.47Å; K318-L322 PolarHBondContact O-N 3.41Å |
| 319 | L | 77.9 | Confident | 72.2 | Confident | 106 Ų | 106 | 104.5 Ų | 104.5 | 56% | 0.555 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.1 | -49.9 | 173.1 | -87.9 | 162.5 | 0 | 0 | 0 | 110.6 | M315 E316 E321 L322 E323 | M315-L319 PolarHBondContact O-N 2.89Å; E316-L319 PolarHBondContact O-N 3.36Å; L319-E321 VanDerWaalsContact C-N 3.29Å; L319-E321 PolarHBondContact O-N 3.01Å; L319-L322 PolarHBondContact O-N 3.03Å; L319-L322 VanDerWaalsContact O-N 3.1Å; L319-E323 WeakPolarHBondContact O-CG 3.47Å; L319-E323 PolarHBondContact O-N 3.31Å |
| 320 | V | 81.4 | Confident | 72.6 | Confident | 94 Ų | 94 | 108.7 Ų | 108.7 | 57% | 0.57 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -59.8 | -38.5 | 175.8 | 174.2 | 0 | 0 | 0 | 0 | 111.8 | E316 R317 A324 | E316-V320 WeakPolarHBondContact O-CG2 3.38Å; E316-V320 PolarHBondContact O-N 3.48Å; R317-V320 PolarHBondContact O-N 3.25Å; V320-A324 WeakPolarHBondContact O-CB 3.42Å; V320-A324 PolarHBondContact O-N 3.41Å |
| 321 | E | 80.7 | Confident | 72.4 | Confident | 116 Ų | 116 | 107 Ų | 107 | 54% | 0.542 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67 | -35.6 | 176 | -170.9 | 173.5 | -164.3 | 0 | 0 | 112.6 | R317 L319 Q325 | R317-E321 WeakPolarHBondContact O-CB 3.47Å; R317-E321 PolarHBondContact O-N 3.44Å; L319-E321 VanDerWaalsContact C-N 3.29Å; L319-E321 PolarHBondContact O-N 3.01Å; E321-Q325 WeakPolarHBondContact O-CG 3.46Å; E321-Q325 PolarHBondContact O-N 2.95Å; E321-Q325 VanDerWaalsContact O-N 3.09Å |
| 322 | L | 71.7 | Confident | 73 | Confident | 105 Ų | 105 | 103.5 Ų | 103.5 | 55% | 0.55 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -73 | -40.2 | 174.4 | -77.8 | 167.8 | 0 | 0 | 0 | 112.5 | K318 L319 Q325 M326 | K318-L322 WeakPolarHBondContact O-CB 3.35Å; K318-L322 WeakPolarHBondContact O-CG 3.47Å; K318-L322 PolarHBondContact O-N 3.41Å; L319-L322 PolarHBondContact O-N 3.03Å; L319-L322 VanDerWaalsContact O-N 3.1Å; L322-Q325 PolarHBondContact O-N 3.2Å; L322-M326 PolarHBondContact O-N 3.28Å |
| 323 | E | 75.4 | Confident | 73.3 | Confident | 126 Ų | 126 | 105.7 Ų | 105.7 | 59% | 0.589 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60.4 | -46.4 | 173.7 | -73.3 | 176.7 | 152.3 | 0 | 0 | 110.7 | L319 Q325 M326 E327 | L319-E323 WeakPolarHBondContact O-CG 3.47Å; L319-E323 PolarHBondContact O-N 3.31Å; E323-Q325 VanDerWaalsContact C-N 3.33Å; E323-Q325 PolarHBondContact O-N 3.42Å; E323-M326 PolarHBondContact O-N 3.44Å; E323-M326 VanDerWaalsContact O-N 3.15Å; E323-E327 PolarHBondContact O-N 2.85Å |
| 324 | A | 76 | Confident | 73.4 | Confident | 47 Ų | 47 | 105.9 Ų | 105.9 | 39% | 0.388 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.3 | -35.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | V320 C328 | V320-A324 WeakPolarHBondContact O-CB 3.42Å; V320-A324 PolarHBondContact O-N 3.41Å; A324-C328 WeakPolarHBondContact O-CB 3.3Å; A324-C328 PolarHBondContact O-N 3.49Å; A324-C328 PolarHBondContact O-SG 3.47Å; A324-C328 VanDerWaalsContact O-SG 3.33Å |
| 325 | Q | 70.2 | Confident | 73.6 | Confident | 108 Ų | 108 | 105.3 Ų | 105.3 | 51% | 0.505 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -68.8 | -36 | 173.7 | -77.8 | 179.6 | 21.9 | 0 | 0 | 112.8 | E321 L322 E323 S329 | E321-Q325 WeakPolarHBondContact O-CG 3.46Å; E321-Q325 PolarHBondContact O-N 2.95Å; E321-Q325 VanDerWaalsContact O-N 3.09Å; L322-Q325 PolarHBondContact O-N 3.2Å; E323-Q325 VanDerWaalsContact C-N 3.33Å; E323-Q325 PolarHBondContact O-N 3.42Å; Q325-S329 WeakPolarHBondContact O-CB 3.36Å; Q325-S329 PolarHBondContact O-N 3.31Å; Q325-S329 VanDerWaalsContact O-N 3.12Å; Q325-S329 PolarHBondContact O-OG 2.72Å |
| 326 | M | 66.3 | Low | 73.9 | Confident | 137 Ų | 137 | 104.8 Ų | 104.8 | 68% | 0.675 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.4 | -45.9 | 173.4 | -78 | -178.1 | 49.4 | 0 | 0 | 111.5 | L322 E323 C328 S329 E330 | L322-M326 PolarHBondContact O-N 3.28Å; E323-M326 PolarHBondContact O-N 3.44Å; E323-M326 VanDerWaalsContact O-N 3.15Å; M326-C328 PolarHBondContact O-N 3.03Å; M326-S329 CarbonylContact O-C 3.57Å; M326-S329 WeakPolarHBondContact O-CA 3.43Å; M326-S329 WeakPolarHBondContact O-CB 3.35Å; M326-S329 PolarHBondContact O-N 3.28Å; M326-E330 PolarHBondContact O-N 3.38Å |
| 327 | E | 69.7 | Low | 74 | Confident | 128 Ų | 128 | 102.5 Ų | 102.5 | 60% | 0.598 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.1 | -43.5 | 178.2 | -167 | 173.4 | -161.9 | 0 | 0 | 111.6 | E323 S329 E330 I331 | E323-E327 PolarHBondContact O-N 2.85Å; E327-S329 VanDerWaalsContact C-N 3.25Å; E327-S329 PolarHBondContact O-N 3.17Å; E327-E330 PolarHBondContact O-N 3.05Å; E327-I331 HydrophobicContact CG-CD1 4.43Å; E327-I331 VanDerWaalsContact O-CG1 3.3Å; E327-I331 WeakPolarHBondContact O-CG1 3.43Å; E327-I331 PolarHBondContact O-N 2.95Å |
| 328 | C | 60.4 | Low | 74.3 | Confident | 78 Ų | 78 | 100.8 Ų | 100.8 | 53% | 0.527 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.1 | -33.6 | 170.7 | -77 | 0 | 0 | 0 | 0 | 113.6 | A324 M326 T332 | A324-C328 WeakPolarHBondContact O-CB 3.3Å; A324-C328 PolarHBondContact O-N 3.49Å; A324-C328 PolarHBondContact O-SG 3.47Å; A324-C328 VanDerWaalsContact O-SG 3.33Å; M326-C328 PolarHBondContact O-N 3.03Å; C328-T332 PolarHBondContact O-N 2.77Å; C328-T332 PolarHBondContact O-OG1 3.41Å |
| 329 | S | 64.2 | Low | 74.3 | Confident | 69 Ų | 69 | 98.8 Ų | 98.8 | 48% | 0.483 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -75.2 | -37.6 | 178.5 | -59.1 | 0 | 0 | 0 | 0 | 111.8 | Q325 M326 E327 T332 I333 | Q325-S329 WeakPolarHBondContact O-CB 3.36Å; Q325-S329 PolarHBondContact O-N 3.31Å; Q325-S329 VanDerWaalsContact O-N 3.12Å; Q325-S329 PolarHBondContact O-OG 2.72Å; M326-S329 CarbonylContact O-C 3.57Å; M326-S329 WeakPolarHBondContact O-CA 3.43Å; M326-S329 WeakPolarHBondContact O-CB 3.35Å; M326-S329 PolarHBondContact O-N 3.28Å; E327-S329 VanDerWaalsContact C-N 3.25Å; E327-S329 PolarHBondContact O-N 3.17Å; S329-T332 WeakPolarHBondContact O-CB 3.37Å; S329-T332 PolarHBondContact O-N 2.75Å; S329-I333 WeakPolarHBondContact O-CG1 3.46Å; S329-I333 PolarHBondContact O-N 2.91Å |
| 330 | E | 64.6 | Low | 74.5 | Confident | 135 Ų | 135 | 97.8 Ų | 97.8 | 63% | 0.631 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.1 | -44.8 | 175.1 | -169.6 | 163.2 | -158.8 | 0 | 0 | 111.3 | M326 E327 T332 I333 D334 | M326-E330 PolarHBondContact O-N 3.38Å; E327-E330 PolarHBondContact O-N 3.05Å; E330-T332 PolarHBondContact O-N 3.04Å; E330-I333 PolarHBondContact O-N 3.06Å; E330-D334 PolarHBondContact O-N 3.33Å |
| 331 | I | 62.8 | Low | 74.9 | Confident | 102 Ų | 102 | 101.3 Ų | 101.3 | 52% | 0.523 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -55.4 | -36.9 | 170.5 | -67.2 | 165 | 0 | 0 | 0 | 111.3 | E327 T335 | E327-I331 HydrophobicContact CG-CD1 4.43Å; E327-I331 VanDerWaalsContact O-CG1 3.3Å; E327-I331 WeakPolarHBondContact O-CG1 3.43Å; E327-I331 PolarHBondContact O-N 2.95Å; I331-T335 WeakPolarHBondContact O-CB 3.47Å; I331-T335 PolarHBondContact O-N 3.42Å; I331-T335 PolarHBondContact O-OG1 2.92Å |
| 332 | T | 77.1 | Confident | 75.1 | Confident | 80 Ų | 80 | 97.6 Ų | 97.6 | 49% | 0.491 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -69.3 | -40.5 | 177 | -58.9 | 0 | 0 | 0 | 0 | 111.9 | C328 S329 E330 T335 K336 | C328-T332 PolarHBondContact O-N 2.77Å; C328-T332 PolarHBondContact O-OG1 3.41Å; S329-T332 WeakPolarHBondContact O-CB 3.37Å; S329-T332 PolarHBondContact O-N 2.75Å; E330-T332 PolarHBondContact O-N 3.04Å; T332-T335 PolarHBondContact O-N 3.32Å; T332-K336 WeakPolarHBondContact O-CG 3.44Å; T332-K336 PolarHBondContact O-N 3.45Å |
| 333 | I | 74.7 | Confident | 75.7 | Confident | 111 Ų | 111 | 98.1 Ų | 98.1 | 57% | 0.569 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.9 | -47.7 | 175.5 | -68.6 | 168.2 | 0 | 0 | 0 | 110.4 | S329 E330 T335 K336 V337 | S329-I333 WeakPolarHBondContact O-CG1 3.46Å; S329-I333 PolarHBondContact O-N 2.91Å; E330-I333 PolarHBondContact O-N 3.06Å; I333-T335 VanDerWaalsContact C-N 3.32Å; I333-T335 PolarHBondContact O-N 3.24Å; I333-K336 CarbonylContact O-C 3.59Å; I333-K336 WeakPolarHBondContact O-CA 3.47Å; I333-K336 PolarHBondContact O-N 3.09Å; I333-V337 HydrophobicContact CG2-CG2 4.36Å; I333-V337 WeakPolarHBondContact O-CG2 3.4Å; I333-V337 PolarHBondContact O-N 3.1Å |
| 334 | D | 77.5 | Confident | 76.4 | Confident | 94 Ų | 94 | 98.7 Ų | 98.7 | 50% | 0.503 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.7 | -40.8 | 179 | -103.1 | -10.2 | 0 | 0 | 0 | 112.1 | E330 K336 V337 Q338 | E330-D334 PolarHBondContact O-N 3.33Å; D334-K336 VanDerWaalsContact C-N 3.31Å; D334-K336 PolarHBondContact O-N 3.06Å; D334-V337 PolarHBondContact O-N 3.28Å; D334-Q338 WeakPolarHBondContact O-CG 3.33Å; D334-Q338 PolarHBondContact O-N 3.42Å |
| 335 | T | 80.9 | Confident | 76.9 | Confident | 66 Ų | 66 | 103.7 Ų | 103.7 | 41% | 0.405 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -57.5 | -44.7 | 172.3 | -57.7 | 0 | 0 | 0 | 0 | 111 | I331 T332 I333 Q338 E339 | I331-T335 WeakPolarHBondContact O-CB 3.47Å; I331-T335 PolarHBondContact O-N 3.42Å; I331-T335 PolarHBondContact O-OG1 2.92Å; T332-T335 PolarHBondContact O-N 3.32Å; I333-T335 VanDerWaalsContact C-N 3.32Å; I333-T335 PolarHBondContact O-N 3.24Å; T335-Q338 PolarHBondContact O-N 3.25Å; T335-E339 WeakPolarHBondContact O-CG 3.37Å; T335-E339 PolarHBondContact O-N 2.86Å |
| 336 | K | 78.1 | Confident | 77.6 | Confident | 106 Ų | 106 | 101.7 Ų | 101.7 | 46% | 0.461 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.2 | -33.3 | 177.2 | -67.5 | -69.3 | 166 | -135.3 | 0 | 113.3 | T332 I333 D334 E339 C340 | T332-K336 WeakPolarHBondContact O-CG 3.44Å; T332-K336 PolarHBondContact O-N 3.45Å; I333-K336 CarbonylContact O-C 3.59Å; I333-K336 WeakPolarHBondContact O-CA 3.47Å; I333-K336 PolarHBondContact O-N 3.09Å; D334-K336 VanDerWaalsContact C-N 3.31Å; D334-K336 PolarHBondContact O-N 3.06Å; K336-E339 WeakPolarHBondContact CD-OE2 3.31Å; K336-E339 IonicContact NZ-OE1 2.61Å; K336-E339 PolarHBondContact NZ-OE1 2.77Å; K336-E339 IonicContact NZ-OE2 2.71Å; K336-E339 PolarHBondContact NZ-OE2 2.92Å; K336-E339 PolarHBondContact O-N 3.16Å; K336-C340 WeakPolarHBondContact O-CB 3.27Å; K336-C340 PolarHBondContact O-N 3.38Å; K336-C340 PolarHBondContact O-SG 2.85Å; K336-C340 VanDerWaalsContact O-SG 3.39Å |
| 337 | V | 83.7 | Confident | 78.4 | Confident | 53 Ų | 53 | 98.5 Ų | 98.5 | 32% | 0.321 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.6 | -40.2 | 171.6 | 171.1 | 0 | 0 | 0 | 0 | 110.6 | I333 D334 C340 R341 | I333-V337 HydrophobicContact CG2-CG2 4.36Å; I333-V337 WeakPolarHBondContact O-CG2 3.4Å; I333-V337 PolarHBondContact O-N 3.1Å; D334-V337 PolarHBondContact O-N 3.28Å; V337-C340 PolarHBondContact O-N 2.97Å; V337-R341 VanDerWaalsContact O-CG 3.3Å; V337-R341 WeakPolarHBondContact O-CG 3.48Å; V337-R341 PolarHBondContact O-N 2.8Å |
| 338 | Q | 85.9 | Confident | 79.3 | Confident | 130 Ų | 130 | 95.9 Ų | 95.9 | 61% | 0.607 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.2 | -43.2 | 174.7 | -69.6 | -175.3 | 31.3 | 0 | 0 | 112.3 | D334 T335 C340 R341 A342 | D334-Q338 WeakPolarHBondContact O-CG 3.33Å; D334-Q338 PolarHBondContact O-N 3.42Å; T335-Q338 PolarHBondContact O-N 3.25Å; Q338-C340 PolarHBondContact O-N 3.45Å; Q338-R341 CarbonylContact O-C 3.52Å; Q338-R341 PolarHBondContact O-N 2.61Å; Q338-A342 PolarHBondContact O-N 3.14Å |
| 339 | E | 81.7 | Confident | 80.6 | Confident | 83 Ų | 83 | 97.6 Ų | 97.6 | 39% | 0.388 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -56.3 | -48.2 | 171.8 | -76 | 174 | -147.4 | 0 | 0 | 111.5 | T335 K336 R341 A342 L343 | T335-E339 WeakPolarHBondContact O-CG 3.37Å; T335-E339 PolarHBondContact O-N 2.86Å; K336-E339 WeakPolarHBondContact CD-OE2 3.31Å; K336-E339 IonicContact NZ-OE1 2.61Å; K336-E339 PolarHBondContact NZ-OE1 2.77Å; K336-E339 IonicContact NZ-OE2 2.71Å; K336-E339 PolarHBondContact NZ-OE2 2.92Å; K336-E339 PolarHBondContact O-N 3.16Å; E339-R341 VanDerWaalsContact C-N 3.34Å; E339-R341 PolarHBondContact O-N 3.4Å; E339-A342 WeakPolarHBondContact O-CB 3.5Å; E339-A342 PolarHBondContact O-N 3.34Å; E339-A342 VanDerWaalsContact O-N 3.1Å; E339-L343 WeakPolarHBondContact O-CG 3.41Å; E339-L343 PolarHBondContact O-N 3.06Å |
| 340 | C | 81.6 | Confident | 81.5 | Confident | 86 Ų | 86 | 99 Ų | 99 | 58% | 0.581 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61 | -38.7 | 175.9 | -77.1 | 0 | 0 | 0 | 0 | 112.8 | K336 V337 Q338 A342 K344 | K336-C340 WeakPolarHBondContact O-CB 3.27Å; K336-C340 PolarHBondContact O-N 3.38Å; K336-C340 PolarHBondContact O-SG 2.85Å; K336-C340 VanDerWaalsContact O-SG 3.39Å; V337-C340 PolarHBondContact O-N 2.97Å; Q338-C340 PolarHBondContact O-N 3.45Å; C340-A342 VanDerWaalsContact C-N 3.33Å; C340-K344 WeakPolarHBondContact O-CB 3.42Å; C340-K344 PolarHBondContact O-N 3.28Å |
| 341 | R | 89.2 | Confident | 82.5 | Confident | 168 Ų | 168 | 99.9 Ų | 99.9 | 63% | 0.634 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -69.2 | -28.2 | 174.1 | -71.6 | 176.2 | -170.2 | -169.3 | 7.6 | 112.8 | V337 Q338 E339 R345 | V337-R341 VanDerWaalsContact O-CG 3.3Å; V337-R341 WeakPolarHBondContact O-CG 3.48Å; V337-R341 PolarHBondContact O-N 2.8Å; Q338-R341 CarbonylContact O-C 3.52Å; Q338-R341 PolarHBondContact O-N 2.61Å; E339-R341 VanDerWaalsContact C-N 3.34Å; E339-R341 PolarHBondContact O-N 3.4Å; R341-R345 PolarHBondContact O-NE 3.21Å |
| 342 | A | 84.9 | Confident | 83.6 | Confident | 38 Ų | 38 | 98 Ų | 98 | 31% | 0.314 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -74.1 | -51.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q338 E339 C340 K344 R345 T346 | Q338-A342 PolarHBondContact O-N 3.14Å; E339-A342 WeakPolarHBondContact O-CB 3.5Å; E339-A342 PolarHBondContact O-N 3.34Å; E339-A342 VanDerWaalsContact O-N 3.1Å; C340-A342 VanDerWaalsContact C-N 3.33Å; A342-K344 VanDerWaalsContact C-N 3.27Å; A342-K344 PolarHBondContact O-N 3.49Å; A342-R345 WeakPolarHBondContact O-CB 3.25Å; A342-R345 PolarHBondContact O-N 3Å; A342-T346 PolarHBondContact O-N 3.38Å; A342-T346 VanDerWaalsContact O-N 3.09Å; A342-T346 PolarHBondContact O-OG1 3.14Å |
| 343 | L | 84.7 | Confident | 83.9 | Confident | 115 Ų | 115 | 99.8 Ų | 99.8 | 60% | 0.602 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -56.5 | -39.7 | 176 | -72.2 | 172 | 0 | 0 | 0 | 112.3 | E339 R345 T346 V347 | E339-L343 WeakPolarHBondContact O-CG 3.41Å; E339-L343 PolarHBondContact O-N 3.06Å; L343-R345 PolarHBondContact O-N 3.07Å; L343-T346 PolarHBondContact O-N 3.31Å; L343-V347 WeakPolarHBondContact O-CG2 3.38Å; L343-V347 PolarHBondContact O-N 2.91Å |
| 344 | K | 89.4 | Confident | 84.2 | Confident | 138 Ų | 138 | 98.7 Ų | 98.7 | 60% | 0.6 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -59.8 | -44.6 | 175.1 | -174.9 | 175.8 | 178.6 | -178.1 | 0 | 112.4 | C340 A342 V347 D348 | C340-K344 WeakPolarHBondContact O-CB 3.42Å; C340-K344 PolarHBondContact O-N 3.28Å; A342-K344 VanDerWaalsContact C-N 3.27Å; A342-K344 PolarHBondContact O-N 3.49Å; K344-V347 PolarHBondContact O-N 2.97Å; K344-D348 PolarHBondContact O-N 3.44Å |
| 345 | R | 88.4 | Confident | 84.8 | Confident | 152 Ų | 152 | 101.1 Ų | 101.1 | 57% | 0.574 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.1 | -46.9 | 176.1 | -77.6 | 174.8 | -80.8 | 150.1 | -9.9 | 111.2 | R341 A342 L343 V347 D348 E349 | R341-R345 PolarHBondContact O-NE 3.21Å; A342-R345 WeakPolarHBondContact O-CB 3.25Å; A342-R345 PolarHBondContact O-N 3Å; L343-R345 PolarHBondContact O-N 3.07Å; R345-V347 VanDerWaalsContact C-N 3.33Å; R345-V347 PolarHBondContact O-N 3.08Å; R345-D348 PolarHBondContact O-N 3.15Å; R345-E349 WeakPolarHBondContact O-CG 3.19Å; R345-E349 PolarHBondContact O-N 3.38Å |
| 346 | T | 85 | Confident | 85 | Confident | 67 Ų | 67 | 102.5 Ų | 102.5 | 41% | 0.411 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.2 | -38.1 | 176.2 | -52.1 | 0 | 0 | 0 | 0 | 112.7 | A342 L343 E349 L350 | A342-T346 PolarHBondContact O-N 3.38Å; A342-T346 VanDerWaalsContact O-N 3.09Å; A342-T346 PolarHBondContact O-OG1 3.14Å; L343-T346 PolarHBondContact O-N 3.31Å; T346-E349 PolarHBondContact O-N 3.08Å; T346-L350 HydrophobicContact CG2-CD1 4.2Å; T346-L350 WeakPolarHBondContact O-CB 3.44Å; T346-L350 VanDerWaalsContact O-CG 3.25Å; T346-L350 WeakPolarHBondContact O-CG 3.49Å; T346-L350 PolarHBondContact O-N 3.45Å |
| 347 | V | 82.1 | Confident | 85.3 | Confident | 70 Ų | 70 | 102.4 Ų | 102.4 | 42% | 0.424 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.2 | -40.4 | 175.2 | 168.1 | 0 | 0 | 0 | 0 | 111.9 | L343 K344 R345 L350 R351 | L343-V347 WeakPolarHBondContact O-CG2 3.38Å; L343-V347 PolarHBondContact O-N 2.91Å; K344-V347 PolarHBondContact O-N 2.97Å; R345-V347 VanDerWaalsContact C-N 3.33Å; R345-V347 PolarHBondContact O-N 3.08Å; V347-L350 PolarHBondContact O-N 3.37Å; V347-R351 VanDerWaalsContact O-CG 3.31Å; V347-R351 WeakPolarHBondContact O-CG 3.38Å; V347-R351 PolarHBondContact O-N 2.93Å |
| 348 | D | 87.8 | Confident | 85.4 | Confident | 73 Ų | 73 | 106.8 Ų | 106.8 | 39% | 0.39 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -71.5 | -34.4 | 178.2 | -69.2 | -31.2 | 0 | 0 | 0 | 111.7 | K344 R345 R351 A352 | K344-D348 PolarHBondContact O-N 3.44Å; R345-D348 PolarHBondContact O-N 3.15Å; D348-R351 PolarHBondContact O-N 3Å; D348-R351 IonicContact OD1-NH1 2.92Å; D348-R351 PolarHBondContact OD1-NH1 3.49Å; D348-A352 PolarHBondContact O-N 3.07Å; D348-A352 VanDerWaalsContact O-N 3.07Å |
| 349 | E | 87.8 | Confident | 85.4 | Confident | 114 Ų | 114 | 104.1 Ų | 104.1 | 53% | 0.533 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.6 | -47.7 | 169.4 | -73.7 | 163.2 | -168.8 | 0 | 0 | 112.1 | R345 T346 R351 A352 Q353 | R345-E349 WeakPolarHBondContact O-CG 3.19Å; R345-E349 PolarHBondContact O-N 3.38Å; T346-E349 PolarHBondContact O-N 3.08Å; E349-R351 VanDerWaalsContact C-N 3.31Å; E349-R351 PolarHBondContact O-N 3.12Å; E349-A352 WeakPolarHBondContact O-CB 3.42Å; E349-A352 PolarHBondContact O-N 3.41Å; E349-A352 VanDerWaalsContact O-N 3.12Å; E349-Q353 PolarHBondContact O-N 2.99Å |
| 350 | L | 84 | Confident | 85.5 | Confident | 97 Ų | 97 | 104.3 Ų | 104.3 | 51% | 0.508 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.4 | -37 | 176.7 | -73.8 | 170.3 | 0 | 0 | 0 | 112 | T346 V347 A352 Q353 E354 | T346-L350 HydrophobicContact CG2-CD1 4.2Å; T346-L350 WeakPolarHBondContact O-CB 3.44Å; T346-L350 VanDerWaalsContact O-CG 3.25Å; T346-L350 WeakPolarHBondContact O-CG 3.49Å; T346-L350 PolarHBondContact O-N 3.45Å; V347-L350 PolarHBondContact O-N 3.37Å; L350-A352 VanDerWaalsContact C-N 3.34Å; L350-Q353 PolarHBondContact O-N 3.48Å; L350-E354 WeakPolarHBondContact O-CB 3.46Å; L350-E354 PolarHBondContact O-N 3.42Å |
| 351 | R | 85.1 | Confident | 85.6 | Confident | 155 Ų | 155 | 106.6 Ų | 106.6 | 59% | 0.585 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.9 | -36 | 172.9 | -77.8 | 169.5 | 167.9 | 177.7 | -5.3 | 112.9 | V347 D348 E349 K355 | V347-R351 VanDerWaalsContact O-CG 3.31Å; V347-R351 WeakPolarHBondContact O-CG 3.38Å; V347-R351 PolarHBondContact O-N 2.93Å; D348-R351 PolarHBondContact O-N 3Å; D348-R351 IonicContact OD1-NH1 2.92Å; D348-R351 PolarHBondContact OD1-NH1 3.49Å; E349-R351 VanDerWaalsContact C-N 3.31Å; E349-R351 PolarHBondContact O-N 3.12Å; R351-K355 WeakPolarHBondContact O-CB 3.48Å; R351-K355 PolarHBondContact O-N 3.15Å; R351-K355 VanDerWaalsContact O-N 3.09Å |
| 352 | A | 86 | Confident | 85.5 | Confident | 61 Ų | 61 | 104.6 Ų | 104.6 | 50% | 0.504 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.6 | -44.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | D348 E349 L350 K355 E356 | D348-A352 PolarHBondContact O-N 3.07Å; D348-A352 VanDerWaalsContact O-N 3.07Å; E349-A352 WeakPolarHBondContact O-CB 3.42Å; E349-A352 PolarHBondContact O-N 3.41Å; E349-A352 VanDerWaalsContact O-N 3.12Å; L350-A352 VanDerWaalsContact C-N 3.34Å; A352-K355 PolarHBondContact O-N 2.9Å; A352-E356 PolarHBondContact O-N 2.64Å |
| 353 | Q | 83.5 | Confident | 85.5 | Confident | 118 Ų | 118 | 108 Ų | 108 | 55% | 0.551 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.1 | -42.6 | 174.6 | -68.2 | 177.4 | 2.3 | 0 | 0 | 112.3 | E349 L350 K355 E356 L357 | E349-Q353 PolarHBondContact O-N 2.99Å; L350-Q353 PolarHBondContact O-N 3.48Å; Q353-K355 VanDerWaalsContact C-N 3.32Å; Q353-K355 PolarHBondContact O-N 2.77Å; Q353-E356 PolarHBondContact O-N 2.91Å; Q353-L357 WeakPolarHBondContact O-CG 3.5Å; Q353-L357 PolarHBondContact O-N 3.4Å |
| 354 | E | 81.5 | Confident | 85.5 | Confident | 89 Ų | 89 | 108.1 Ų | 108.1 | 42% | 0.416 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.6 | -39.9 | 177.2 | -166.3 | -165.7 | -170.2 | 0 | 0 | 111.8 | L350 R358 | L350-E354 WeakPolarHBondContact O-CB 3.46Å; L350-E354 PolarHBondContact O-N 3.42Å; E354-R358 WeakPolarHBondContact O-CG 3.39Å; E354-R358 PolarHBondContact O-N 3.36Å; E354-R358 IonicContact OE1-CZ 3.84Å; E354-R358 IonicContact OE1-NH1 2.66Å; E354-R358 PolarHBondContact OE1-NH1 3.29Å; E354-R358 IonicContact OE1-NH2 3.12Å; E354-R358 PolarHBondContact OE1-NH2 2.96Å; E354-R358 IonicContact OE2-CZ 2.77Å; E354-R358 IonicContact OE2-NH2 2.77Å; E354-R358 PolarHBondContact OE2-NH2 2.9Å |
| 355 | K | 89.2 | Confident | 85.3 | Confident | 145 Ų | 145 | 106.7 Ų | 106.7 | 63% | 0.63 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.5 | -41.5 | 175.5 | -173 | -177.7 | 178.5 | -173.2 | 0 | 111.9 | R351 A352 Q353 R358 N359 | R351-K355 WeakPolarHBondContact O-CB 3.48Å; R351-K355 PolarHBondContact O-N 3.15Å; R351-K355 VanDerWaalsContact O-N 3.09Å; A352-K355 PolarHBondContact O-N 2.9Å; Q353-K355 VanDerWaalsContact C-N 3.32Å; Q353-K355 PolarHBondContact O-N 2.77Å; K355-R358 PolarHBondContact O-N 3.02Å; K355-N359 PolarHBondContact O-N 3.48Å; K355-N359 VanDerWaalsContact O-N 3.16Å; K355-N359 PolarHBondContact O-ND2 3.36Å |
| 356 | E | 85.5 | Confident | 85.2 | Confident | 94 Ų | 94 | 103 Ų | 103 | 44% | 0.439 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.3 | -47.6 | 177.6 | -180 | 53.9 | -154.5 | 0 | 0 | 111.6 | A352 Q353 R358 N359 Q360 | A352-E356 PolarHBondContact O-N 2.64Å; Q353-E356 PolarHBondContact O-N 2.91Å; E356-R358 VanDerWaalsContact C-N 3.29Å; E356-R358 PolarHBondContact O-N 3.45Å; E356-N359 WeakPolarHBondContact O-CB 3.42Å; E356-N359 PolarHBondContact O-N 2.82Å; E356-Q360 WeakPolarHBondContact O-CG 3.47Å; E356-Q360 PolarHBondContact O-N 3.42Å; E356-Q360 PolarHBondContact OE1-NE2 3.44Å |
| 357 | L | 83.9 | Confident | 85.2 | Confident | 104 Ų | 104 | 105.7 Ų | 105.7 | 55% | 0.545 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.2 | -38.2 | 175 | -72 | 171.6 | 0 | 0 | 0 | 112.3 | Q353 N359 Q360 M361 | Q353-L357 WeakPolarHBondContact O-CG 3.5Å; Q353-L357 PolarHBondContact O-N 3.4Å; L357-N359 VanDerWaalsContact C-N 3.35Å; L357-N359 PolarHBondContact O-N 3Å; L357-Q360 PolarHBondContact O-N 2.93Å; L357-M361 WeakPolarHBondContact O-CB 3.29Å; L357-M361 WeakPolarHBondContact O-CG 3.42Å; L357-M361 PolarHBondContact O-N 2.98Å |
| 358 | R | 85.7 | Confident | 85.1 | Confident | 145 Ų | 145 | 105.4 Ų | 105.4 | 55% | 0.547 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.9 | -36.1 | 174.2 | -80 | -160.7 | -102.4 | -91.3 | 11.9 | 113.2 | E354 K355 E356 K362 | E354-R358 WeakPolarHBondContact O-CG 3.39Å; E354-R358 PolarHBondContact O-N 3.36Å; E354-R358 IonicContact OE1-CZ 3.84Å; E354-R358 IonicContact OE1-NH1 2.66Å; E354-R358 PolarHBondContact OE1-NH1 3.29Å; E354-R358 IonicContact OE1-NH2 3.12Å; E354-R358 PolarHBondContact OE1-NH2 2.96Å; E354-R358 IonicContact OE2-CZ 2.77Å; E354-R358 IonicContact OE2-NH2 2.77Å; E354-R358 PolarHBondContact OE2-NH2 2.9Å; K355-R358 PolarHBondContact O-N 3.02Å; E356-R358 VanDerWaalsContact C-N 3.29Å; E356-R358 PolarHBondContact O-N 3.45Å; R358-K362 PolarHBondContact O-N 3.44Å |
| 359 | N | 85.9 | Confident | 85.2 | Confident | 74 Ų | 74 | 106.8 Ų | 106.8 | 40% | 0.396 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.3 | -48.7 | 173.7 | -64.9 | -26.7 | 0 | 0 | 0 | 110.5 | K355 E356 L357 M361 K362 D363 | K355-N359 PolarHBondContact O-N 3.48Å; K355-N359 VanDerWaalsContact O-N 3.16Å; K355-N359 PolarHBondContact O-ND2 3.36Å; E356-N359 WeakPolarHBondContact O-CB 3.42Å; E356-N359 PolarHBondContact O-N 2.82Å; L357-N359 VanDerWaalsContact C-N 3.35Å; L357-N359 PolarHBondContact O-N 3Å; N359-M361 VanDerWaalsContact C-N 3.33Å; N359-M361 PolarHBondContact O-N 2.95Å; N359-K362 WeakPolarHBondContact O-CB 3.34Å; N359-K362 PolarHBondContact O-N 2.89Å; N359-D363 PolarHBondContact O-N 3.23Å |
| 360 | Q | 85 | Confident | 85.2 | Confident | 87 Ų | 87 | 105.3 Ų | 105.3 | 41% | 0.407 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.7 | -40 | 179.4 | -66 | 177 | 11.5 | 0 | 0 | 112.4 | E356 L357 K362 D363 I364 | E356-Q360 WeakPolarHBondContact O-CG 3.47Å; E356-Q360 PolarHBondContact O-N 3.42Å; E356-Q360 PolarHBondContact OE1-NE2 3.44Å; L357-Q360 PolarHBondContact O-N 2.93Å; Q360-K362 VanDerWaalsContact C-N 3.31Å; Q360-K362 PolarHBondContact O-N 3.37Å; Q360-D363 PolarHBondContact O-N 2.86Å; Q360-I364 WeakPolarHBondContact O-CD1 3.44Å; Q360-I364 VanDerWaalsContact O-CG1 3.26Å; Q360-I364 WeakPolarHBondContact O-CG1 3.46Å; Q360-I364 PolarHBondContact O-N 3.11Å |
| 361 | M | 82.1 | Confident | 85.1 | Confident | 134 Ų | 134 | 104.8 Ų | 104.8 | 66% | 0.66 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -59.9 | -40.8 | 173.1 | -77 | -175.5 | 70.9 | 0 | 0 | 112.3 | L357 N359 I364 E365 | L357-M361 WeakPolarHBondContact O-CB 3.29Å; L357-M361 WeakPolarHBondContact O-CG 3.42Å; L357-M361 PolarHBondContact O-N 2.98Å; N359-M361 VanDerWaalsContact C-N 3.33Å; N359-M361 PolarHBondContact O-N 2.95Å; M361-I364 PolarHBondContact O-N 3.45Å; M361-E365 WeakPolarHBondContact O-CB 3.38Å; M361-E365 PolarHBondContact O-N 3.24Å |
| 362 | K | 88.5 | Confident | 85 | Confident | 127 Ų | 127 | 101.5 Ų | 101.5 | 55% | 0.552 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66 | -44.1 | 177.7 | -173.4 | -174.2 | 174.1 | -169.3 | 0 | 111.7 | R358 N359 Q360 I364 E365 D366 | R358-K362 PolarHBondContact O-N 3.44Å; N359-K362 WeakPolarHBondContact O-CB 3.34Å; N359-K362 PolarHBondContact O-N 2.89Å; Q360-K362 VanDerWaalsContact C-N 3.31Å; Q360-K362 PolarHBondContact O-N 3.37Å; K362-I364 VanDerWaalsContact C-N 3.3Å; K362-I364 PolarHBondContact O-N 3.25Å; K362-E365 WeakPolarHBondContact O-CB 3.37Å; K362-E365 PolarHBondContact O-N 3.37Å; K362-E365 VanDerWaalsContact O-N 3.15Å; K362-D366 PolarHBondContact O-N 2.95Å |
| 363 | D | 85.2 | Confident | 85 | Confident | 108 Ų | 108 | 105.7 Ų | 105.7 | 58% | 0.578 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62 | -38.7 | 177 | -67.4 | -20.7 | 0 | 0 | 0 | 111.6 | N359 Q360 F367 | N359-D363 PolarHBondContact O-N 3.23Å; Q360-D363 PolarHBondContact O-N 2.86Å; D363-F367 VanDerWaalsContact O-CB 3.28Å; D363-F367 WeakPolarHBondContact O-CB 3.47Å; D363-F367 PolarHBondContact O-N 3.18Å |
| 364 | I | 83.2 | Confident | 85.1 | Confident | 119 Ų | 119 | 105.8 Ų | 105.8 | 61% | 0.61 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.4 | -41.5 | 173.4 | -69.1 | 165.3 | 0 | 0 | 0 | 111.4 | Q360 M361 K362 F367 S368 | Q360-I364 WeakPolarHBondContact O-CD1 3.44Å; Q360-I364 VanDerWaalsContact O-CG1 3.26Å; Q360-I364 WeakPolarHBondContact O-CG1 3.46Å; Q360-I364 PolarHBondContact O-N 3.11Å; M361-I364 PolarHBondContact O-N 3.45Å; K362-I364 VanDerWaalsContact C-N 3.3Å; K362-I364 PolarHBondContact O-N 3.25Å; I364-F367 PolarHBondContact O-N 3.32Å; I364-S368 WeakPolarHBondContact O-CB 3.39Å; I364-S368 PolarHBondContact O-N 3.28Å |
| 365 | E | 85.1 | Confident | 85 | Confident | 108 Ų | 108 | 107 Ų | 107 | 51% | 0.505 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.1 | -44 | 178.1 | -158.7 | -162.9 | 131.2 | 0 | 0 | 111.5 | M361 K362 S368 K369 | M361-E365 WeakPolarHBondContact O-CB 3.38Å; M361-E365 PolarHBondContact O-N 3.24Å; K362-E365 WeakPolarHBondContact O-CB 3.37Å; K362-E365 PolarHBondContact O-N 3.37Å; K362-E365 VanDerWaalsContact O-N 3.15Å; E365-S368 WeakPolarHBondContact O-CB 3.29Å; E365-S368 PolarHBondContact O-N 3.48Å; E365-K369 WeakPolarHBondContact O-CG 3.41Å; E365-K369 PolarHBondContact O-N 2.94Å; E365-K369 WeakPolarHBondContact OE1-CE 3.24Å; E365-K369 IonicContact OE1-NZ 3.75Å; E365-K369 PolarHBondContact OE1-NZ 2.97Å |
| 366 | D | 87.7 | Confident | 84.9 | Confident | 73 Ų | 73 | 108 Ų | 108 | 39% | 0.39 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -70.7 | -34.8 | 178.5 | -71.3 | -18.1 | 0 | 0 | 0 | 111.9 | K362 K369 L370 | K362-D366 PolarHBondContact O-N 2.95Å; D366-K369 PolarHBondContact O-N 3.25Å; D366-K369 IonicContact OD1-NZ 3.62Å; D366-K369 PolarHBondContact OD1-NZ 2.88Å; D366-L370 PolarHBondContact O-N 2.92Å |
| 367 | F | 85.1 | Confident | 84.9 | Confident | 125 Ų | 125 | 106.9 Ų | 106.9 | 55% | 0.548 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.8 | -40.1 | 169.1 | -176.4 | -107.7 | 0 | 0 | 0 | 112.5 | D363 I364 L370 L371 | D363-F367 VanDerWaalsContact O-CB 3.28Å; D363-F367 WeakPolarHBondContact O-CB 3.47Å; D363-F367 PolarHBondContact O-N 3.18Å; I364-F367 PolarHBondContact O-N 3.32Å; F367-L370 PolarHBondContact O-N 2.99Å; F367-L371 HydrophobicContact CD1-CD1 3.85Å; F367-L371 HydrophobicContact CD1-CG 4.36Å; F367-L371 HydrophobicContact CE1-CD1 3.38Å; F367-L371 HydrophobicContact CE1-CG 4Å; F367-L371 HydrophobicContact CZ-CD1 3.91Å; F367-L371 HydrophobicContact CZ-CD2 4.36Å; F367-L371 HydrophobicContact CZ-CG 4.11Å; F367-L371 PolarHBondContact O-N 2.92Å |
| 368 | S | 80.2 | Confident | 84.8 | Confident | 64 Ų | 64 | 105.9 Ų | 105.9 | 45% | 0.448 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64 | -41.9 | 175.9 | -175.7 | 0 | 0 | 0 | 0 | 112.2 | I364 E365 L370 L371 T372 | I364-S368 WeakPolarHBondContact O-CB 3.39Å; I364-S368 PolarHBondContact O-N 3.28Å; E365-S368 WeakPolarHBondContact O-CB 3.29Å; E365-S368 PolarHBondContact O-N 3.48Å; S368-L370 PolarHBondContact O-N 3.26Å; S368-L371 PolarHBondContact O-N 3.46Å; S368-T372 WeakPolarHBondContact O-CB 3.45Å; S368-T372 PolarHBondContact O-N 3.38Å; S368-T372 PolarHBondContact O-OG1 3.28Å |
| 369 | K | 90 | Very high | 84.4 | Confident | 101 Ų | 101 | 102.3 Ų | 102.3 | 44% | 0.439 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.2 | -44.6 | 172.2 | -68.6 | 165.9 | -163.2 | 154 | 0 | 111.5 | E365 D366 T372 F373 | E365-K369 WeakPolarHBondContact O-CG 3.41Å; E365-K369 PolarHBondContact O-N 2.94Å; E365-K369 WeakPolarHBondContact OE1-CE 3.24Å; E365-K369 IonicContact OE1-NZ 3.75Å; E365-K369 PolarHBondContact OE1-NZ 2.97Å; D366-K369 PolarHBondContact O-N 3.25Å; D366-K369 IonicContact OD1-NZ 3.62Å; D366-K369 PolarHBondContact OD1-NZ 2.88Å; K369-T372 PolarHBondContact O-N 3.41Å; K369-F373 PolarHBondContact O-N 2.97Å |
| 370 | L | 86.7 | Confident | 84.3 | Confident | 84 Ų | 84 | 100.6 Ų | 100.6 | 44% | 0.44 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.9 | -42.9 | 177.7 | -179.8 | 62.5 | 0 | 0 | 0 | 112.6 | D366 F367 S368 F373 K374 | D366-L370 PolarHBondContact O-N 2.92Å; F367-L370 PolarHBondContact O-N 2.99Å; S368-L370 PolarHBondContact O-N 3.26Å; L370-F373 PolarHBondContact O-N 3.33Å; L370-K374 WeakPolarHBondContact O-CG 3.47Å; L370-K374 PolarHBondContact O-N 2.89Å |
| 371 | L | 82.4 | Confident | 84.4 | Confident | 85 Ų | 85 | 102.6 Ų | 102.6 | 45% | 0.445 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.8 | -45.8 | 174 | -80.2 | 177.6 | 0 | 0 | 0 | 111.6 | F367 S368 F373 K374 L375 | F367-L371 HydrophobicContact CD1-CD1 3.85Å; F367-L371 HydrophobicContact CD1-CG 4.36Å; F367-L371 HydrophobicContact CE1-CD1 3.38Å; F367-L371 HydrophobicContact CE1-CG 4Å; F367-L371 HydrophobicContact CZ-CD1 3.91Å; F367-L371 HydrophobicContact CZ-CD2 4.36Å; F367-L371 HydrophobicContact CZ-CG 4.11Å; F367-L371 PolarHBondContact O-N 2.92Å; S368-L371 PolarHBondContact O-N 3.46Å; L371-F373 VanDerWaalsContact C-N 3.3Å; L371-F373 PolarHBondContact O-N 3.48Å; L371-K374 PolarHBondContact O-N 3.18Å; L371-L375 WeakPolarHBondContact O-CB 3.37Å; L371-L375 PolarHBondContact O-N 2.7Å |
| 372 | T | 82.8 | Confident | 84.2 | Confident | 87 Ų | 87 | 103.2 Ų | 103.2 | 53% | 0.534 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.4 | -41.8 | 177.9 | -58.6 | 0 | 0 | 0 | 0 | 111.5 | S368 K369 L375 K376 | S368-T372 WeakPolarHBondContact O-CB 3.45Å; S368-T372 PolarHBondContact O-N 3.38Å; S368-T372 PolarHBondContact O-OG1 3.28Å; K369-T372 PolarHBondContact O-N 3.41Å; T372-L375 PolarHBondContact O-N 2.99Å; T372-K376 WeakPolarHBondContact O-CB 3.26Å; T372-K376 PolarHBondContact O-N 2.86Å |
| 373 | F | 85.4 | Confident | 83.9 | Confident | 148 Ų | 148 | 101.1 Ų | 101.1 | 65% | 0.649 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.1 | -48.7 | 174.5 | -179.5 | -94.6 | 0 | 0 | 0 | 112.4 | K369 L370 L371 L375 K376 D377 | K369-F373 PolarHBondContact O-N 2.97Å; L370-F373 PolarHBondContact O-N 3.33Å; L371-F373 VanDerWaalsContact C-N 3.3Å; L371-F373 PolarHBondContact O-N 3.48Å; F373-L375 VanDerWaalsContact C-N 3.32Å; F373-L375 PolarHBondContact O-N 3.4Å; F373-K376 PolarHBondContact O-N 3.35Å; F373-D377 PolarHBondContact O-N 3.09Å |
| 374 | K | 85.7 | Confident | 83.9 | Confident | 120 Ų | 120 | 103.9 Ų | 103.9 | 52% | 0.522 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.6 | -39.4 | 177.1 | -74.8 | 179.5 | 178.4 | 179.9 | 0 | 112.5 | L370 L371 T378 | L370-K374 WeakPolarHBondContact O-CG 3.47Å; L370-K374 PolarHBondContact O-N 2.89Å; L371-K374 PolarHBondContact O-N 3.18Å; K374-T378 WeakPolarHBondContact O-CB 3.35Å; K374-T378 PolarHBondContact O-N 2.65Å; K374-T378 PolarHBondContact O-OG1 2.94Å |
| 375 | L | 80.4 | Confident | 83.9 | Confident | 115 Ų | 115 | 99.6 Ų | 99.6 | 60% | 0.602 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.9 | -45.1 | 176.3 | -175.7 | 63.8 | 0 | 0 | 0 | 110.9 | L371 T372 F373 D377 T378 V379 | L371-L375 WeakPolarHBondContact O-CB 3.37Å; L371-L375 PolarHBondContact O-N 2.7Å; T372-L375 PolarHBondContact O-N 2.99Å; F373-L375 VanDerWaalsContact C-N 3.32Å; F373-L375 PolarHBondContact O-N 3.4Å; L375-D377 PolarHBondContact O-N 3.1Å; L375-T378 PolarHBondContact O-N 2.89Å; L375-V379 HydrophobicContact CD1-CG2 4.37Å; L375-V379 HydrophobicContact CG-CG2 4.49Å; L375-V379 WeakPolarHBondContact O-CB 3.39Å; L375-V379 WeakPolarHBondContact O-CG2 3.45Å; L375-V379 PolarHBondContact O-N 2.9Å |
| 376 | K | 85.4 | Confident | 83.6 | Confident | 165 Ų | 165 | 98.8 Ų | 98.8 | 72% | 0.717 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.5 | -42.9 | 177.8 | -171.2 | 175.6 | -178.8 | 178.2 | 0 | 112.5 | T372 F373 G380 | T372-K376 WeakPolarHBondContact O-CB 3.26Å; T372-K376 PolarHBondContact O-N 2.86Å; F373-K376 PolarHBondContact O-N 3.35Å; K376-G380 PolarHBondContact O-N 3.49Å |
| 377 | D | 86 | Confident | 83.6 | Confident | 72 Ų | 72 | 100.6 Ų | 100.6 | 39% | 0.385 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.7 | -44.4 | 173.2 | 170.5 | 61.3 | 0 | 0 | 0 | 112 | F373 L375 G380 K381 | F373-D377 PolarHBondContact O-N 3.09Å; L375-D377 PolarHBondContact O-N 3.1Å; D377-G380 PolarHBondContact O-N 2.91Å; D377-K381 VanDerWaalsContact CG-NZ 3.27Å; D377-K381 WeakPolarHBondContact O-CG 3.39Å; D377-K381 PolarHBondContact O-N 3.05Å; D377-K381 WeakPolarHBondContact OD1-CE 3.5Å; D377-K381 IonicContact OD1-NZ 3.25Å; D377-K381 PolarHBondContact OD1-NZ 2.71Å; D377-K381 VanDerWaalsContact OD1-NZ 3.12Å; D377-K381 WeakPolarHBondContact OD2-CE 3.46Å; D377-K381 IonicContact OD2-NZ 2.67Å; D377-K381 PolarHBondContact OD2-NZ 3.02Å |
| 378 | T | 81.9 | Confident | 83.7 | Confident | 82 Ų | 82 | 98.8 Ų | 98.8 | 50% | 0.503 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.4 | -43.4 | 178.6 | -55.9 | 0 | 0 | 0 | 0 | 112.1 | K374 L375 G380 K381 Y382 | K374-T378 WeakPolarHBondContact O-CB 3.35Å; K374-T378 PolarHBondContact O-N 2.65Å; K374-T378 PolarHBondContact O-OG1 2.94Å; L375-T378 PolarHBondContact O-N 2.89Å; T378-G380 VanDerWaalsContact C-N 3.34Å; T378-K381 PolarHBondContact O-N 3.05Å; T378-Y382 PolarHBondContact O-N 3.35Å |
| 379 | V | 78 | Confident | 83.7 | Confident | 70 Ų | 70 | 99.8 Ų | 99.8 | 42% | 0.424 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64 | -39.5 | 174.2 | 170.6 | 0 | 0 | 0 | 0 | 111 | L375 Y382 N383 | L375-V379 HydrophobicContact CD1-CG2 4.37Å; L375-V379 HydrophobicContact CG-CG2 4.49Å; L375-V379 WeakPolarHBondContact O-CB 3.39Å; L375-V379 WeakPolarHBondContact O-CG2 3.45Å; L375-V379 PolarHBondContact O-N 2.9Å; V379-Y382 PolarHBondContact O-N 3.38Å; V379-N383 WeakPolarHBondContact O-CB 3.48Å; V379-N383 VanDerWaalsContact O-CG 3.29Å; V379-N383 PolarHBondContact O-N 3.21Å; V379-N383 PolarHBondContact O-ND2 3.35Å |
| 380 | G | 83.2 | Confident | 83.4 | Confident | 38 Ų | 38 | 97.8 Ų | 97.8 | 39% | 0.392 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.4 | -47.5 | 173 | 0 | 0 | 0 | 0 | 0 | 112.6 | K376 D377 T378 N383 Y384 | K376-G380 PolarHBondContact O-N 3.49Å; D377-G380 PolarHBondContact O-N 2.91Å; T378-G380 VanDerWaalsContact C-N 3.34Å; G380-N383 PolarHBondContact O-N 3.42Å; G380-Y384 WeakPolarHBondContact O-CB 3.37Å; G380-Y384 PolarHBondContact O-N 3.36Å |
| 381 | K | 87.1 | Confident | 83.5 | Confident | 130 Ų | 130 | 97.8 Ų | 97.8 | 57% | 0.565 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.3 | -40.8 | 176 | -72.8 | 165.6 | 178.5 | 164.4 | 0 | 112.6 | D377 T378 Y384 G385 | D377-K381 VanDerWaalsContact CG-NZ 3.27Å; D377-K381 WeakPolarHBondContact O-CG 3.39Å; D377-K381 PolarHBondContact O-N 3.05Å; D377-K381 WeakPolarHBondContact OD1-CE 3.5Å; D377-K381 IonicContact OD1-NZ 3.25Å; D377-K381 PolarHBondContact OD1-NZ 2.71Å; D377-K381 VanDerWaalsContact OD1-NZ 3.12Å; D377-K381 WeakPolarHBondContact OD2-CE 3.46Å; D377-K381 IonicContact OD2-NZ 2.67Å; D377-K381 PolarHBondContact OD2-NZ 3.02Å; T378-K381 PolarHBondContact O-N 3.05Å; K381-Y384 PolarHBondContact O-N 3.02Å; K381-G385 PolarHBondContact O-N 2.99Å |
| 382 | Y | 79.1 | Confident | 83.7 | Confident | 147 Ų | 147 | 98.4 Ų | 98.4 | 58% | 0.576 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.3 | -48.4 | 175.1 | 177.5 | -97.2 | 0 | 0 | 0 | 111.8 | T378 V379 Y384 G385 M386 | T378-Y382 PolarHBondContact O-N 3.35Å; V379-Y382 PolarHBondContact O-N 3.38Å; Y382-Y384 VanDerWaalsContact C-N 3.35Å; Y382-Y384 PolarHBondContact O-N 3.32Å; Y382-G385 PolarHBondContact O-N 3.26Å; Y382-G385 VanDerWaalsContact O-N 3.14Å; Y382-M386 HydrophobicContact CD1-CG 4.11Å; Y382-M386 HydrophobicContact CD2-CG 4.5Å; Y382-M386 HydrophobicContact CE1-CG 3.61Å; Y382-M386 HydrophobicContact CE2-CG 4.04Å; Y382-M386 HydrophobicContact CE2-SD 4.3Å; Y382-M386 WeakPolarHBondContact O-CG 3.33Å; Y382-M386 PolarHBondContact O-N 2.87Å |
| 383 | N | 80.8 | Confident | 83.7 | Confident | 82 Ų | 82 | 98.8 Ų | 98.8 | 44% | 0.439 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.4 | -40.8 | 178.6 | -72 | -18.3 | 0 | 0 | 0 | 111.9 | V379 G380 M386 N387 | V379-N383 WeakPolarHBondContact O-CB 3.48Å; V379-N383 VanDerWaalsContact O-CG 3.29Å; V379-N383 PolarHBondContact O-N 3.21Å; V379-N383 PolarHBondContact O-ND2 3.35Å; G380-N383 PolarHBondContact O-N 3.42Å; N383-M386 PolarHBondContact O-N 3.07Å; N383-N387 WeakPolarHBondContact O-CB 3.44Å; N383-N387 VanDerWaalsContact O-CG 3.27Å; N383-N387 PolarHBondContact O-N 3.37Å; N383-N387 PolarHBondContact O-ND2 3.5Å |
| 384 | Y | 86.2 | Confident | 83.8 | Confident | 167 Ų | 167 | 96.8 Ų | 96.8 | 66% | 0.655 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60.4 | -45.3 | 172.3 | 179.4 | -97 | 0 | 0 | 0 | 112 | G380 K381 Y382 N387 L388 | G380-Y384 WeakPolarHBondContact O-CB 3.37Å; G380-Y384 PolarHBondContact O-N 3.36Å; K381-Y384 PolarHBondContact O-N 3.02Å; Y382-Y384 VanDerWaalsContact C-N 3.35Å; Y382-Y384 PolarHBondContact O-N 3.32Å; Y384-N387 PolarHBondContact O-N 2.95Å; Y384-L388 PolarHBondContact O-N 2.97Å |
| 385 | G | 81.8 | Confident | 83.9 | Confident | 28 Ų | 28 | 97.6 Ų | 97.6 | 29% | 0.289 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.9 | -44.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | K381 Y382 L388 V389 | K381-G385 PolarHBondContact O-N 2.99Å; Y382-G385 PolarHBondContact O-N 3.26Å; Y382-G385 VanDerWaalsContact O-N 3.14Å; G385-L388 PolarHBondContact O-N 2.9Å; G385-V389 WeakPolarHBondContact O-CG2 3.3Å; G385-V389 PolarHBondContact O-N 3.39Å |
| 386 | M | 80.3 | Confident | 84 | Confident | 91 Ų | 91 | 95.8 Ų | 95.8 | 45% | 0.448 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.3 | -39.9 | 176.8 | -74.2 | -60.2 | -65.2 | 0 | 0 | 112.5 | Y382 N383 V389 S390 | Y382-M386 HydrophobicContact CD1-CG 4.11Å; Y382-M386 HydrophobicContact CD2-CG 4.5Å; Y382-M386 HydrophobicContact CE1-CG 3.61Å; Y382-M386 HydrophobicContact CE2-CG 4.04Å; Y382-M386 HydrophobicContact CE2-SD 4.3Å; Y382-M386 WeakPolarHBondContact O-CG 3.33Å; Y382-M386 PolarHBondContact O-N 2.87Å; N383-M386 PolarHBondContact O-N 3.07Å; M386-V389 PolarHBondContact O-N 3.24Å; M386-S390 WeakPolarHBondContact O-CB 3.48Å; M386-S390 PolarHBondContact O-N 3.2Å |
| 387 | N | 86.8 | Confident | 84 | Confident | 111 Ų | 111 | 91.7 Ų | 91.7 | 59% | 0.594 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -63.3 | -42.8 | 173.6 | -73.4 | -19.5 | 0 | 0 | 0 | 111.5 | N383 Y384 S390 E391 | N383-N387 WeakPolarHBondContact O-CB 3.44Å; N383-N387 VanDerWaalsContact O-CG 3.27Å; N383-N387 PolarHBondContact O-N 3.37Å; N383-N387 PolarHBondContact O-ND2 3.5Å; Y384-N387 PolarHBondContact O-N 2.95Å; N387-S390 WeakPolarHBondContact O-CB 3.38Å; N387-S390 PolarHBondContact O-N 3.32Å; N387-E391 PolarHBondContact O-N 3.42Å |
| 388 | L | 88.3 | Confident | 84 | Confident | 87 Ų | 87 | 93 Ų | 93 | 46% | 0.455 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.1 | -42.1 | 175.7 | -177.9 | 62.1 | 0 | 0 | 0 | 112 | Y384 G385 E391 L392 | Y384-L388 PolarHBondContact O-N 2.97Å; G385-L388 PolarHBondContact O-N 2.9Å; L388-E391 PolarHBondContact O-N 3.25Å; L388-L392 HydrophobicContact CD1-CD1 4.46Å; L388-L392 HydrophobicContact CD1-CG 4.48Å; L388-L392 HydrophobicContact CG-CD1 4.18Å; L388-L392 WeakPolarHBondContact O-CB 3.43Å; L388-L392 VanDerWaalsContact O-CG 3.27Å; L388-L392 WeakPolarHBondContact O-CG 3.49Å; L388-L392 PolarHBondContact O-N 3.5Å |
| 389 | V | 79.8 | Confident | 84.3 | Confident | 86 Ų | 86 | 94.7 Ų | 94.7 | 52% | 0.521 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63 | -41.9 | 174.4 | 169.8 | 0 | 0 | 0 | 0 | 111.2 | G385 M386 L392 Q393 | G385-V389 WeakPolarHBondContact O-CG2 3.3Å; G385-V389 PolarHBondContact O-N 3.39Å; M386-V389 PolarHBondContact O-N 3.24Å; V389-L392 PolarHBondContact O-N 2.78Å; V389-Q393 WeakPolarHBondContact O-CB 3.47Å; V389-Q393 PolarHBondContact O-N 2.68Å |
| 390 | S | 84.2 | Confident | 84.6 | Confident | 59 Ų | 59 | 95.1 Ų | 95.1 | 41% | 0.413 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.8 | -45.8 | 175.7 | -169.8 | 0 | 0 | 0 | 0 | 112 | M386 N387 Q393 K394 | M386-S390 WeakPolarHBondContact O-CB 3.48Å; M386-S390 PolarHBondContact O-N 3.2Å; N387-S390 WeakPolarHBondContact O-CB 3.38Å; N387-S390 PolarHBondContact O-N 3.32Å; S390-Q393 PolarHBondContact O-N 3.39Å; S390-K394 WeakPolarHBondContact O-CG 3.31Å; S390-K394 PolarHBondContact O-N 3Å |
| 391 | E | 87.7 | Confident | 84.6 | Confident | 83 Ų | 83 | 101.4 Ų | 101.4 | 39% | 0.388 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.1 | -40.1 | 175.4 | -77.8 | -58.7 | 124.8 | 0 | 0 | 113 | N387 L388 K394 K395 | N387-E391 PolarHBondContact O-N 3.42Å; L388-E391 PolarHBondContact O-N 3.25Å; E391-K394 PolarHBondContact O-N 3.48Å; E391-K394 WeakPolarHBondContact OE1-CD 3.46Å; E391-K394 WeakPolarHBondContact OE1-CE 3.22Å; E391-K394 IonicContact OE1-NZ 3.46Å; E391-K394 PolarHBondContact OE1-NZ 3.19Å; E391-K395 WeakPolarHBondContact O-CG 3.42Å; E391-K395 PolarHBondContact O-N 2.96Å |
| 392 | L | 86.2 | Confident | 84.5 | Confident | 99 Ų | 99 | 99.7 Ų | 99.7 | 52% | 0.518 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.3 | -39.3 | 174.4 | -71.8 | 171.9 | 0 | 0 | 0 | 111.8 | L388 V389 K395 L396 | L388-L392 HydrophobicContact CD1-CD1 4.46Å; L388-L392 HydrophobicContact CD1-CG 4.48Å; L388-L392 HydrophobicContact CG-CD1 4.18Å; L388-L392 WeakPolarHBondContact O-CB 3.43Å; L388-L392 VanDerWaalsContact O-CG 3.27Å; L388-L392 WeakPolarHBondContact O-CG 3.49Å; L388-L392 PolarHBondContact O-N 3.5Å; V389-L392 PolarHBondContact O-N 2.78Å; L392-K395 PolarHBondContact O-N 3.48Å; L392-L396 WeakPolarHBondContact O-CB 3.46Å; L392-L396 PolarHBondContact O-N 3.44Å |
| 393 | Q | 83.5 | Confident | 84.8 | Confident | 95 Ų | 95 | 97.4 Ų | 97.4 | 44% | 0.444 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.6 | -42 | 175.4 | -171.3 | 65 | 49.9 | 0 | 0 | 111.7 | V389 S390 K395 L396 N397 | V389-Q393 WeakPolarHBondContact O-CB 3.47Å; V389-Q393 PolarHBondContact O-N 2.68Å; S390-Q393 PolarHBondContact O-N 3.39Å; Q393-K395 PolarHBondContact O-N 3.03Å; Q393-L396 PolarHBondContact O-N 3.44Å; Q393-N397 PolarHBondContact NE2-OD1 3.06Å; Q393-N397 WeakPolarHBondContact O-CB 3.38Å; Q393-N397 PolarHBondContact O-N 2.97Å; Q393-N397 PolarHBondContact O-OD1 3.41Å |
| 394 | K | 88.3 | Confident | 85 | Confident | 106 Ų | 106 | 100.9 Ų | 100.9 | 46% | 0.461 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.1 | -47.5 | 173 | -68.9 | 172.1 | -165.2 | 172.4 | 0 | 111.1 | S390 E391 L396 N397 I398 | S390-K394 WeakPolarHBondContact O-CG 3.31Å; S390-K394 PolarHBondContact O-N 3Å; E391-K394 PolarHBondContact O-N 3.48Å; E391-K394 WeakPolarHBondContact OE1-CD 3.46Å; E391-K394 WeakPolarHBondContact OE1-CE 3.22Å; E391-K394 IonicContact OE1-NZ 3.46Å; E391-K394 PolarHBondContact OE1-NZ 3.19Å; K394-L396 PolarHBondContact O-N 3.39Å; K394-N397 PolarHBondContact O-N 3.47Å; K394-I398 VanDerWaalsContact O-CG1 3.29Å; K394-I398 WeakPolarHBondContact O-CG1 3.47Å; K394-I398 PolarHBondContact O-N 2.96Å |
| 395 | K | 86.8 | Confident | 84.9 | Confident | 136 Ų | 136 | 96.4 Ų | 96.4 | 59% | 0.591 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -63.2 | -39.4 | 178.2 | -72.1 | 176 | -177 | 179.7 | 0 | 112.5 | E391 L392 Q393 I398 K399 | E391-K395 WeakPolarHBondContact O-CG 3.42Å; E391-K395 PolarHBondContact O-N 2.96Å; L392-K395 PolarHBondContact O-N 3.48Å; Q393-K395 PolarHBondContact O-N 3.03Å; K395-I398 PolarHBondContact O-N 2.91Å; K395-K399 PolarHBondContact O-N 3.31Å |
| 396 | L | 83.5 | Confident | 85.1 | Confident | 78 Ų | 78 | 100.3 Ų | 100.3 | 41% | 0.408 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.6 | -49.8 | 175 | -177.9 | 61.5 | 0 | 0 | 0 | 111.4 | L392 Q393 K394 I398 K399 E400 | L392-L396 WeakPolarHBondContact O-CB 3.46Å; L392-L396 PolarHBondContact O-N 3.44Å; Q393-L396 PolarHBondContact O-N 3.44Å; K394-L396 PolarHBondContact O-N 3.39Å; L396-I398 VanDerWaalsContact C-N 3.26Å; L396-I398 PolarHBondContact O-N 3.1Å; L396-K399 WeakPolarHBondContact O-CA 3.47Å; L396-K399 WeakPolarHBondContact O-CB 3.41Å; L396-K399 PolarHBondContact O-N 3.17Å; L396-E400 HydrophobicContact CD1-CG 4.41Å; L396-E400 WeakPolarHBondContact O-CG 3.41Å; L396-E400 PolarHBondContact O-N 2.89Å |
| 397 | N | 85.3 | Confident | 85.3 | Confident | 79 Ų | 79 | 101.7 Ų | 101.7 | 42% | 0.422 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -57.2 | -39.3 | 177.4 | -67.4 | -2.4 | 0 | 0 | 0 | 111.9 | Q393 K394 R401 | Q393-N397 PolarHBondContact NE2-OD1 3.06Å; Q393-N397 WeakPolarHBondContact O-CB 3.38Å; Q393-N397 PolarHBondContact O-N 2.97Å; Q393-N397 PolarHBondContact O-OD1 3.41Å; K394-N397 PolarHBondContact O-N 3.47Å; N397-R401 WeakPolarHBondContact O-CB 3.4Å; N397-R401 PolarHBondContact O-N 3.02Å |
| 398 | I | 84.9 | Confident | 85 | Confident | 99 Ų | 99 | 100.3 Ų | 100.3 | 51% | 0.508 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.2 | -43.8 | 174.8 | -68.2 | 164.3 | 0 | 0 | 0 | 110.9 | K394 K395 L396 R401 N402 | K394-I398 VanDerWaalsContact O-CG1 3.29Å; K394-I398 WeakPolarHBondContact O-CG1 3.47Å; K394-I398 PolarHBondContact O-N 2.96Å; K395-I398 PolarHBondContact O-N 2.91Å; L396-I398 VanDerWaalsContact C-N 3.26Å; L396-I398 PolarHBondContact O-N 3.1Å; I398-R401 PolarHBondContact O-N 3Å; I398-N402 VanDerWaalsContact O-CG 3.26Å; I398-N402 PolarHBondContact O-N 3.49Å |
| 399 | K | 87.7 | Confident | 84.8 | Confident | 118 Ų | 118 | 102.9 Ų | 102.9 | 51% | 0.513 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.7 | -48.7 | 177 | -171.8 | 177.7 | -175.3 | -88.3 | 0 | 111.6 | K395 L396 R401 N402 E403 | K395-K399 PolarHBondContact O-N 3.31Å; L396-K399 WeakPolarHBondContact O-CA 3.47Å; L396-K399 WeakPolarHBondContact O-CB 3.41Å; L396-K399 PolarHBondContact O-N 3.17Å; K399-R401 VanDerWaalsContact C-N 3.28Å; K399-R401 PolarHBondContact O-N 3.06Å; K399-N402 PolarHBondContact O-N 2.87Å; K399-N402 VanDerWaalsContact O-N 3.13Å; K399-E403 WeakPolarHBondContact CE-OE1 3.33Å; K399-E403 IonicContact NZ-OE1 2.91Å; K399-E403 PolarHBondContact NZ-OE1 3.09Å; K399-E403 WeakPolarHBondContact O-CG 3.43Å; K399-E403 PolarHBondContact O-N 3.45Å |
| 400 | E | 84.5 | Confident | 85 | Confident | 79 Ų | 79 | 103.9 Ų | 103.9 | 37% | 0.369 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.4 | -32.4 | 176.6 | -69.3 | 178.8 | -179.7 | 0 | 0 | 113.1 | L396 R404 | L396-E400 HydrophobicContact CD1-CG 4.41Å; L396-E400 WeakPolarHBondContact O-CG 3.41Å; L396-E400 PolarHBondContact O-N 2.89Å; E400-R404 WeakPolarHBondContact O-CB 3.47Å; E400-R404 WeakPolarHBondContact O-CG 3.42Å; E400-R404 PolarHBondContact O-N 3.05Å; E400-R404 VanDerWaalsContact O-N 3.16Å; E400-R404 PolarHBondContact O-NE 3.3Å; E400-R404 IonicContact OE2-NH2 2.67Å |
| 401 | R | 83.8 | Confident | 85.1 | Confident | 169 Ų | 169 | 105.1 Ų | 105.1 | 64% | 0.638 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -69 | -43.9 | 173.1 | -175 | 179.9 | 179 | 116 | 0.7 | 110.8 | N397 I398 K399 R404 I405 | N397-R401 WeakPolarHBondContact O-CB 3.4Å; N397-R401 PolarHBondContact O-N 3.02Å; I398-R401 PolarHBondContact O-N 3Å; K399-R401 VanDerWaalsContact C-N 3.28Å; K399-R401 PolarHBondContact O-N 3.06Å; R401-R404 PolarHBondContact O-N 3.49Å; R401-I405 HydrophobicContact CG-CD1 4.06Å; R401-I405 VanDerWaalsContact O-CG1 3.31Å; R401-I405 WeakPolarHBondContact O-CG1 3.42Å; R401-I405 PolarHBondContact O-N 2.94Å |
| 402 | N | 85.4 | Confident | 84.8 | Confident | 95 Ų | 95 | 106.8 Ų | 106.8 | 51% | 0.508 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.6 | -40 | 178.5 | -69.8 | -12.9 | 0 | 0 | 0 | 112.1 | I398 K399 I405 L406 | I398-N402 VanDerWaalsContact O-CG 3.26Å; I398-N402 PolarHBondContact O-N 3.49Å; K399-N402 PolarHBondContact O-N 2.87Å; K399-N402 VanDerWaalsContact O-N 3.13Å; N402-I405 PolarHBondContact O-N 3.14Å; N402-L406 WeakPolarHBondContact O-CB 3.47Å; N402-L406 PolarHBondContact O-N 2.9Å |
| 403 | E | 86.1 | Confident | 84.7 | Confident | 98 Ų | 98 | 108.9 Ų | 108.9 | 46% | 0.458 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.7 | -41.5 | 174.5 | -74.6 | 174.3 | -179 | 0 | 0 | 111.8 | K399 L406 H407 | K399-E403 WeakPolarHBondContact CE-OE1 3.33Å; K399-E403 IonicContact NZ-OE1 2.91Å; K399-E403 PolarHBondContact NZ-OE1 3.09Å; K399-E403 WeakPolarHBondContact O-CG 3.43Å; K399-E403 PolarHBondContact O-N 3.45Å; E403-L406 PolarHBondContact O-N 3.18Å; E403-H407 WeakPolarHBondContact O-CB 3.35Å; E403-H407 PolarHBondContact O-N 3.33Å |
| 404 | R | 84.7 | Confident | 84.9 | Confident | 155 Ų | 155 | 108.9 Ų | 108.9 | 59% | 0.585 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.1 | -47.3 | 172.1 | -81.4 | 178.5 | -82.1 | -166.7 | -10.4 | 112.3 | E400 R401 L406 H407 E408 | E400-R404 WeakPolarHBondContact O-CB 3.47Å; E400-R404 WeakPolarHBondContact O-CG 3.42Å; E400-R404 PolarHBondContact O-N 3.05Å; E400-R404 VanDerWaalsContact O-N 3.16Å; E400-R404 PolarHBondContact O-NE 3.3Å; E400-R404 IonicContact OE2-NH2 2.67Å; R401-R404 PolarHBondContact O-N 3.49Å; R404-L406 VanDerWaalsContact C-N 3.31Å; R404-L406 PolarHBondContact O-N 3.04Å; R404-H407 PolarHBondContact O-N 3.33Å; R404-E408 WeakPolarHBondContact O-CB 3.48Å; R404-E408 PolarHBondContact O-N 3.44Å |
| 405 | I | 82.9 | Confident | 84.6 | Confident | 73 Ų | 73 | 105.2 Ų | 105.2 | 37% | 0.374 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.4 | -39.1 | 176.8 | -68.5 | 164.7 | 0 | 0 | 0 | 111.2 | R401 N402 K409 | R401-I405 HydrophobicContact CG-CD1 4.06Å; R401-I405 VanDerWaalsContact O-CG1 3.31Å; R401-I405 WeakPolarHBondContact O-CG1 3.42Å; R401-I405 PolarHBondContact O-N 2.94Å; N402-I405 PolarHBondContact O-N 3.14Å; I405-K409 HydrophobicContact CG2-CD 4.36Å; I405-K409 WeakPolarHBondContact O-CB 3.34Å; I405-K409 WeakPolarHBondContact O-CG 3.37Å; I405-K409 PolarHBondContact O-N 3.04Å |
| 406 | L | 85.9 | Confident | 84.4 | Confident | 110 Ų | 110 | 101 Ų | 101 | 58% | 0.576 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -67.2 | -45.2 | 178 | -174.9 | 67.3 | 0 | 0 | 0 | 111.9 | N402 E403 R404 E408 K409 M410 | N402-L406 WeakPolarHBondContact O-CB 3.47Å; N402-L406 PolarHBondContact O-N 2.9Å; E403-L406 PolarHBondContact O-N 3.18Å; R404-L406 VanDerWaalsContact C-N 3.31Å; R404-L406 PolarHBondContact O-N 3.04Å; L406-E408 VanDerWaalsContact C-N 3.33Å; L406-E408 PolarHBondContact O-N 3.3Å; L406-K409 PolarHBondContact O-N 3.01Å; L406-M410 PolarHBondContact O-N 3.45Å |
| 407 | H | 84.8 | Confident | 84.4 | Confident | 121 Ų | 121 | 103.2 Ų | 103.2 | 56% | 0.56 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -62.1 | -39.7 | 176.4 | 179.1 | -101.1 | 0 | 0 | 0 | 111.9 | E403 R404 M410 K411 | E403-H407 WeakPolarHBondContact O-CB 3.35Å; E403-H407 PolarHBondContact O-N 3.33Å; R404-H407 PolarHBondContact O-N 3.33Å; H407-M410 WeakPolarHBondContact O-CB 3.23Å; H407-M410 PolarHBondContact O-N 3.41Å; H407-K411 PolarHBondContact O-N 3.18Å |
| 408 | E | 81.1 | Confident | 84.4 | Confident | 81 Ų | 81 | 104.3 Ų | 104.3 | 38% | 0.379 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -68.7 | -40.3 | 175.3 | -169 | 154 | -165 | 0 | 0 | 112.1 | R404 L406 M410 K411 W412 | R404-E408 WeakPolarHBondContact O-CB 3.48Å; R404-E408 PolarHBondContact O-N 3.44Å; L406-E408 VanDerWaalsContact C-N 3.33Å; L406-E408 PolarHBondContact O-N 3.3Å; E408-M410 VanDerWaalsContact C-N 3.31Å; E408-M410 PolarHBondContact O-N 3.12Å; E408-K411 PolarHBondContact O-N 3.48Å; E408-W412 PolarHBondContact O-N 2.83Å |
| 409 | K | 84.3 | Confident | 84.1 | Confident | 141 Ų | 141 | 101.5 Ų | 101.5 | 61% | 0.613 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -59.8 | -38.2 | 170.2 | -77.5 | -179.8 | 177.8 | -173.1 | 0 | 112.8 | I405 L406 W412 F413 | I405-K409 HydrophobicContact CG2-CD 4.36Å; I405-K409 WeakPolarHBondContact O-CB 3.34Å; I405-K409 WeakPolarHBondContact O-CG 3.37Å; I405-K409 PolarHBondContact O-N 3.04Å; L406-K409 PolarHBondContact O-N 3.01Å; K409-W412 PolarHBondContact O-N 3.21Å; K409-F413 WeakPolarHBondContact O-CB 3.4Å; K409-F413 PolarHBondContact O-N 3.14Å |
| 410 | M | 84.3 | Confident | 83.9 | Confident | 107 Ų | 107 | 102.9 Ų | 102.9 | 53% | 0.527 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.7 | -46.4 | 173.8 | -84.1 | -168.2 | 64.4 | 0 | 0 | 111.9 | L406 H407 E408 W412 F413 E414 | L406-M410 PolarHBondContact O-N 3.45Å; H407-M410 WeakPolarHBondContact O-CB 3.23Å; H407-M410 PolarHBondContact O-N 3.41Å; E408-M410 VanDerWaalsContact C-N 3.31Å; E408-M410 PolarHBondContact O-N 3.12Å; M410-W412 VanDerWaalsContact C-N 3.33Å; M410-W412 PolarHBondContact O-N 3.4Å; M410-F413 WeakPolarHBondContact O-CB 3.49Å; M410-F413 PolarHBondContact O-N 3.05Å; M410-F413 VanDerWaalsContact O-N 3.09Å; M410-E414 WeakPolarHBondContact O-CG 3.45Å; M410-E414 PolarHBondContact O-N 2.76Å |
| 411 | K | 85.3 | Confident | 83.8 | Confident | 86 Ų | 86 | 101.2 Ų | 101.2 | 37% | 0.374 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -56.4 | -45.8 | 174.3 | -74.1 | -171.9 | 167.6 | -160.4 | 0 | 112.4 | H407 E408 F413 E414 I415 | H407-K411 PolarHBondContact O-N 3.18Å; E408-K411 PolarHBondContact O-N 3.48Å; K411-F413 VanDerWaalsContact C-N 3.29Å; K411-F413 PolarHBondContact O-N 2.88Å; K411-E414 PolarHBondContact O-N 2.98Å; K411-I415 WeakPolarHBondContact O-CD1 3.19Å; K411-I415 VanDerWaalsContact O-CG1 3.28Å; K411-I415 WeakPolarHBondContact O-CG1 3.34Å; K411-I415 PolarHBondContact O-N 2.99Å |
| 412 | W | 81.7 | Confident | 83.4 | Confident | 117 Ų | 117 | 94.2 Ų | 94.2 | 44% | 0.443 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.6 | -34.4 | 176.8 | -75.7 | 112.6 | 0 | 0 | 0 | 112.8 | E408 K409 M410 I415 A416 V447 | E408-W412 PolarHBondContact O-N 2.83Å; K409-W412 PolarHBondContact O-N 3.21Å; M410-W412 VanDerWaalsContact C-N 3.33Å; M410-W412 PolarHBondContact O-N 3.4Å; W412-I415 HydrophobicContact CE3-CD1 4.23Å; W412-A416 WeakPolarHBondContact O-CB 3.33Å; W412-A416 PolarHBondContact O-N 3.18Å; W412-V447 HydrophobicContact CH2-CG1 4.04Å; W412-V447 HydrophobicContact CZ3-CG1 4.16Å |
| 413 | F | 84.5 | Confident | 82.9 | Confident | 143 Ų | 143 | 94.6 Ų | 94.6 | 63% | 0.627 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -67.3 | -44.4 | 173.1 | -175.1 | -90.5 | 0 | 0 | 0 | 112.2 | K409 M410 K411 A416 Q417 | K409-F413 WeakPolarHBondContact O-CB 3.4Å; K409-F413 PolarHBondContact O-N 3.14Å; M410-F413 WeakPolarHBondContact O-CB 3.49Å; M410-F413 PolarHBondContact O-N 3.05Å; M410-F413 VanDerWaalsContact O-N 3.09Å; K411-F413 VanDerWaalsContact C-N 3.29Å; K411-F413 PolarHBondContact O-N 2.88Å; F413-A416 PolarHBondContact O-N 3.22Å; F413-Q417 WeakPolarHBondContact O-CB 3.31Å; F413-Q417 PolarHBondContact O-N 3.26Å |
| 414 | E | 86.5 | Confident | 82.6 | Confident | 95 Ų | 95 | 92.3 Ų | 92.3 | 44% | 0.444 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -60 | -44.9 | 174.7 | -71.6 | 171.8 | -172.3 | 0 | 0 | 111.7 | M410 K411 Q417 Q418 | M410-E414 WeakPolarHBondContact O-CG 3.45Å; M410-E414 PolarHBondContact O-N 2.76Å; K411-E414 PolarHBondContact O-N 2.98Å; E414-Q417 PolarHBondContact O-N 3.12Å; E414-Q418 WeakPolarHBondContact O-CG 3.36Å; E414-Q418 PolarHBondContact O-N 3.3Å |
| 415 | I | 82 | Confident | 82.1 | Confident | 29 Ų | 29 | 86.6 Ų | 86.6 | 15% | 0.149 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -60.7 | -46.6 | 175 | -68 | 160.7 | 0 | 0 | 0 | 110.5 | K411 W412 Q417 Q418 V419 V447 | K411-I415 WeakPolarHBondContact O-CD1 3.19Å; K411-I415 VanDerWaalsContact O-CG1 3.28Å; K411-I415 WeakPolarHBondContact O-CG1 3.34Å; K411-I415 PolarHBondContact O-N 2.99Å; W412-I415 HydrophobicContact CE3-CD1 4.23Å; I415-Q417 VanDerWaalsContact C-N 3.3Å; I415-Q417 PolarHBondContact O-N 3.05Å; I415-Q418 WeakPolarHBondContact O-CB 3.45Å; I415-Q418 PolarHBondContact O-N 2.8Å; I415-V419 WeakPolarHBondContact O-CG2 3.3Å; I415-V419 PolarHBondContact O-N 3.49Å; I415-V447 HydrophobicContact CD1-CG2 4.04Å; I415-V447 HydrophobicContact CG1-CG2 4.43Å; I415-V447 HydrophobicContact CG2-CG2 4.07Å |
| 416 | A | 82.5 | Confident | 81.3 | Confident | 47 Ų | 47 | 86.1 Ų | 86.1 | 39% | 0.388 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63.3 | -34.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | W412 F413 V419 K420 | W412-A416 WeakPolarHBondContact O-CB 3.33Å; W412-A416 PolarHBondContact O-N 3.18Å; F413-A416 PolarHBondContact O-N 3.22Å; A416-V419 PolarHBondContact O-N 3.18Å; A416-K420 WeakPolarHBondContact O-CG 3.33Å; A416-K420 PolarHBondContact O-N 3.01Å |
| 417 | Q | 85.3 | Confident | 80.6 | Confident | 125 Ų | 125 | 87.8 Ų | 87.8 | 58% | 0.584 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -69 | -37.7 | 174.3 | -169.2 | 173.1 | 7.7 | 0 | 0 | 111.8 | F413 E414 I415 K420 G421 | F413-Q417 WeakPolarHBondContact O-CB 3.31Å; F413-Q417 PolarHBondContact O-N 3.26Å; E414-Q417 PolarHBondContact O-N 3.12Å; I415-Q417 VanDerWaalsContact C-N 3.3Å; I415-Q417 PolarHBondContact O-N 3.05Å; Q417-K420 PolarHBondContact O-N 2.93Å; Q417-G421 PolarHBondContact O-N 3.33Å |
| 418 | Q | 83.7 | Confident | 79.5 | Confident | 102 Ų | 102 | 87.6 Ų | 87.6 | 48% | 0.477 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.2 | -43 | 172.4 | -70.3 | 174.2 | 32.4 | 0 | 0 | 112 | E414 I415 G421 I422 L443 | E414-Q418 WeakPolarHBondContact O-CG 3.36Å; E414-Q418 PolarHBondContact O-N 3.3Å; I415-Q418 WeakPolarHBondContact O-CB 3.45Å; I415-Q418 PolarHBondContact O-N 2.8Å; Q418-G421 PolarHBondContact O-N 3.37Å; Q418-I422 WeakPolarHBondContact O-CG1 3.38Å; Q418-I422 PolarHBondContact O-N 2.98Å; Q418-L443 HydrophobicContact CB-CD2 4.35Å |
| 419 | V | 79.4 | Confident | 78.3 | Confident | 41 Ų | 41 | 87.4 Ų | 87.4 | 25% | 0.248 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -57.9 | -52.3 | 174.3 | 173.8 | 0 | 0 | 0 | 0 | 110.5 | I415 A416 G421 I422 E423 L443 | I415-V419 WeakPolarHBondContact O-CG2 3.3Å; I415-V419 PolarHBondContact O-N 3.49Å; A416-V419 PolarHBondContact O-N 3.18Å; V419-G421 VanDerWaalsContact C-N 3.25Å; V419-G421 PolarHBondContact O-N 3.37Å; V419-I422 PolarHBondContact O-N 3.46Å; V419-E423 HydrophobicContact CG1-CG 4.35Å; V419-E423 WeakPolarHBondContact O-CG 3.33Å; V419-E423 PolarHBondContact O-N 2.96Å; V419-L443 HydrophobicContact CG2-CD2 3.6Å |
| 420 | K | 83.2 | Confident | 77.1 | Confident | 147 Ų | 147 | 84.1 Ų | 84.1 | 64% | 0.639 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -57.7 | -36.4 | 176.8 | -75 | -177 | 176.5 | -175.1 | 0 | 113.2 | A416 Q417 E423 A424 | A416-K420 WeakPolarHBondContact O-CG 3.33Å; A416-K420 PolarHBondContact O-N 3.01Å; Q417-K420 PolarHBondContact O-N 2.93Å; K420-E423 PolarHBondContact O-N 2.73Å; K420-A424 VanDerWaalsContact O-CB 3.32Å; K420-A424 WeakPolarHBondContact O-CB 3.39Å; K420-A424 PolarHBondContact O-N 3.36Å |
| 421 | G | 81.8 | Confident | 75.9 | Confident | 43 Ų | 43 | 81.8 Ų | 81.8 | 44% | 0.443 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.9 | -38.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q417 Q418 V419 A425 | Q417-G421 PolarHBondContact O-N 3.33Å; Q418-G421 PolarHBondContact O-N 3.37Å; V419-G421 VanDerWaalsContact C-N 3.25Å; V419-G421 PolarHBondContact O-N 3.37Å; G421-A425 WeakPolarHBondContact O-CB 3.43Å; G421-A425 PolarHBondContact O-N 3.33Å; G421-A425 VanDerWaalsContact O-N 3.12Å |
| 422 | I | 75.7 | Confident | 74.9 | Confident | 23 Ų | 23 | 81.6 Ų | 81.6 | 12% | 0.118 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -70.7 | -41.9 | 175.6 | -64.4 | 162.7 | 0 | 0 | 0 | 110.8 | Q418 V419 A425 T426 C436 K439 M440 L443 | Q418-I422 WeakPolarHBondContact O-CG1 3.38Å; Q418-I422 PolarHBondContact O-N 2.98Å; V419-I422 PolarHBondContact O-N 3.46Å; I422-A425 PolarHBondContact O-N 2.93Å; I422-T426 PolarHBondContact O-N 3.23Å; I422-T426 VanDerWaalsContact O-N 3.12Å; I422-T426 PolarHBondContact O-OG1 2.99Å; I422-C436 HydrophobicContact CG2-CB 4.13Å; I422-K439 HydrophobicContact CD1-CB 3.96Å; I422-K439 HydrophobicContact CG1-CB 4.24Å; I422-M440 HydrophobicContact CG2-CB 4.48Å; I422-L443 HydrophobicContact CD1-CD2 4.29Å |
| 423 | E | 76.4 | Confident | 74.3 | Confident | 103 Ų | 103 | 80.1 Ų | 80.1 | 48% | 0.481 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.2 | -50.5 | 175.2 | -70.4 | 172.5 | 163.4 | 0 | 0 | 111.2 | V419 K420 A425 T426 I427 | V419-E423 HydrophobicContact CG1-CG 4.35Å; V419-E423 WeakPolarHBondContact O-CG 3.33Å; V419-E423 PolarHBondContact O-N 2.96Å; K420-E423 PolarHBondContact O-N 2.73Å; E423-A425 VanDerWaalsContact C-N 3.35Å; E423-A425 PolarHBondContact O-N 3.29Å; E423-T426 WeakPolarHBondContact O-CB 3.45Å; E423-T426 PolarHBondContact O-N 2.97Å; E423-I427 PolarHBondContact O-N 2.87Å; E423-I427 VanDerWaalsContact O-N 3.1Å |
| 424 | A | 78.3 | Confident | 73.7 | Confident | 50 Ų | 50 | 78.5 Ų | 78.5 | 41% | 0.413 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.8 | -42 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | K420 T426 I427 V428 | K420-A424 VanDerWaalsContact O-CB 3.32Å; K420-A424 WeakPolarHBondContact O-CB 3.39Å; K420-A424 PolarHBondContact O-N 3.36Å; A424-T426 PolarHBondContact O-N 3.41Å; A424-I427 PolarHBondContact O-N 2.98Å; A424-V428 WeakPolarHBondContact O-CG2 3.44Å; A424-V428 PolarHBondContact O-N 2.95Å |
| 425 | A | 74 | Confident | 73.1 | Confident | 34 Ų | 34 | 75.6 Ų | 75.6 | 28% | 0.281 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.9 | -24.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | G421 I422 E423 T431 | G421-A425 WeakPolarHBondContact O-CB 3.43Å; G421-A425 PolarHBondContact O-N 3.33Å; G421-A425 VanDerWaalsContact O-N 3.12Å; I422-A425 PolarHBondContact O-N 2.93Å; E423-A425 VanDerWaalsContact C-N 3.35Å; E423-A425 PolarHBondContact O-N 3.29Å; A425-T431 PolarHBondContact O-OG1 3.1Å |
| 426 | T | 67.4 | Low | 72.5 | Confident | 64 Ų | 64 | 74.5 Ų | 74.5 | 39% | 0.393 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -79.3 | -33.5 | 175.2 | -49.8 | 0 | 0 | 0 | 0 | 111.8 | I422 E423 A424 C436 | I422-T426 PolarHBondContact O-N 3.23Å; I422-T426 VanDerWaalsContact O-N 3.12Å; I422-T426 PolarHBondContact O-OG1 2.99Å; E423-T426 WeakPolarHBondContact O-CB 3.45Å; E423-T426 PolarHBondContact O-N 2.97Å; A424-T426 PolarHBondContact O-N 3.41Å; T426-C436 VanDerWaalsContact OG1-CB 3.26Å; T426-C436 WeakPolarHBondContact OG1-CB 3.28Å; T426-C436 PolarHBondContact OG1-SG 3.24Å |
| 427 | I | 69.7 | Low | 72.2 | Confident | 144 Ų | 144 | 77.7 Ų | 77.7 | 74% | 0.738 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -76.1 | -43.6 | 177.9 | -63.5 | 166.5 | 0 | 0 | 0 | 111 | E423 A424 G429 | E423-I427 PolarHBondContact O-N 2.87Å; E423-I427 VanDerWaalsContact O-N 3.1Å; A424-I427 PolarHBondContact O-N 2.98Å; I427-G429 PolarHBondContact O-N 3.34Å |
| 428 | V | 63.7 | Low | 71.8 | Confident | 118 Ų | 118 | 73.4 Ų | 73.4 | 72% | 0.715 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -86.4 | 51.7 | -176.4 | -166.1 | 0 | 0 | 0 | 0 | 111.6 | A424 G430 | A424-V428 WeakPolarHBondContact O-CG2 3.44Å; A424-V428 PolarHBondContact O-N 2.95Å; V428-G430 PolarHBondContact O-N 3.33Å |
| 429 | G | 55.6 | Low | 71.6 | Confident | 77 Ų | 77 | 74.4 Ų | 74.4 | 79% | 0.794 | 47% | 0.468 | S | S | * | . | S | Bend | trans | 49 | -3.2 | 155.5 | 0 | 0 | 0 | 0 | 0 | 122.3 | I427 | I427-G429 PolarHBondContact O-N 3.34Š|
| 430 | G | 59.4 | Low | 71.4 | Confident | 72 Ų | 72 | 76.4 Ų | 76.4 | 74% | 0.742 | 48% | 0.475 | S | S | * | . | trans | -110.4 | -8.6 | -163.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | V428 | V428-G430 PolarHBondContact O-N 3.33Š| ||
| 431 | T | 58.4 | Low | 71.3 | Confident | 57 Ų | 57 | 72.9 Ų | 72.9 | 35% | 0.35 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -118.1 | 136.3 | 171.4 | 25.5 | 0 | 0 | 0 | 0 | 110.1 | A425 C436 | A425-T431 PolarHBondContact O-OG1 3.1Å; T431-C436 PolarHBondContact OG1-SG 3.38Å |
| 432 | S | 63.6 | Low | 71.2 | Confident | 83 Ų | 83 | 74.9 Ų | 74.9 | 58% | 0.58 | 47% | 0.47 | S | S | * | . | trans | -60.3 | 142.7 | 176.5 | 73.7 | 0 | 0 | 0 | 0 | 110.2 | D434 G435 C436 | S432-D434 PolarHBondContact O-N 3.1Å; S432-D434 VanDerWaalsContact O-N 3.13Å; S432-G435 WeakPolarHBondContact O-CA 3.28Å; S432-G435 PolarHBondContact O-N 3.43Å; S432-G435 PolarHBondContact OG-N 2.9Å; S432-C436 PolarHBondContact O-N 3.19Å; S432-C436 VanDerWaalsContact O-N 3.16Å | ||
| 433 | V | 68.8 | Low | 71.4 | Confident | 86 Ų | 86 | 74.8 Ų | 74.8 | 52% | 0.521 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -53.9 | -36 | -179.9 | 175.6 | 0 | 0 | 0 | 0 | 111 | C436 K437 | V433-C436 PolarHBondContact O-N 2.86Å; V433-K437 HydrophobicContact CG1-CD 4.43Å; V433-K437 WeakPolarHBondContact O-CG 3.34Å; V433-K437 PolarHBondContact O-N 2.97Å |
| 434 | D | 72 | Confident | 71.7 | Confident | 109 Ų | 109 | 75.1 Ų | 75.1 | 58% | 0.583 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -73.1 | -30 | 178.3 | -59.2 | -38.9 | 0 | 0 | 0 | 113.3 | S432 K437 G438 | S432-D434 PolarHBondContact O-N 3.1Å; S432-D434 VanDerWaalsContact O-N 3.13Å; D434-K437 IonicContact OD1-NZ 2.85Å; D434-K437 PolarHBondContact OD1-NZ 3.15Å; D434-G438 PolarHBondContact O-N 3.45Å |
| 435 | G | 74.6 | Confident | 72 | Confident | 33 Ų | 33 | 80 Ų | 80 | 34% | 0.34 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.3 | -41.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | S432 G438 K439 | S432-G435 WeakPolarHBondContact O-CA 3.28Å; S432-G435 PolarHBondContact O-N 3.43Å; S432-G435 PolarHBondContact OG-N 2.9Å; G435-G438 PolarHBondContact O-N 2.95Å; G435-K439 WeakPolarHBondContact O-CG 3.47Å; G435-K439 PolarHBondContact O-N 3.07Å; G435-K439 VanDerWaalsContact O-N 3.12Å |
| 436 | C | 69.8 | Low | 72.4 | Confident | 7 Ų | 7 | 81.5 Ų | 81.5 | 5% | 0.047 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -68.2 | -43.7 | 174.8 | -66.5 | 0 | 0 | 0 | 0 | 112.1 | I422 T426 T431 S432 V433 G438 K439 M440 | I422-C436 HydrophobicContact CG2-CB 4.13Å; T426-C436 VanDerWaalsContact OG1-CB 3.26Å; T426-C436 WeakPolarHBondContact OG1-CB 3.28Å; T426-C436 PolarHBondContact OG1-SG 3.24Å; T431-C436 PolarHBondContact OG1-SG 3.38Å; S432-C436 PolarHBondContact O-N 3.19Å; S432-C436 VanDerWaalsContact O-N 3.16Å; V433-C436 PolarHBondContact O-N 2.86Å; C436-G438 VanDerWaalsContact C-N 3.33Å; C436-G438 PolarHBondContact O-N 3Å; C436-K439 PolarHBondContact O-N 3.26Å; C436-M440 PolarHBondContact O-N 3.09Å |
| 437 | K | 74.8 | Confident | 73 | Confident | 113 Ų | 113 | 79.8 Ų | 79.8 | 49% | 0.491 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -56.4 | -45.9 | 171.7 | -73.3 | 173.5 | -170.5 | 154.5 | 0 | 111.4 | V433 D434 K439 M440 V441 | V433-K437 HydrophobicContact CG1-CD 4.43Å; V433-K437 WeakPolarHBondContact O-CG 3.34Å; V433-K437 PolarHBondContact O-N 2.97Å; D434-K437 IonicContact OD1-NZ 2.85Å; D434-K437 PolarHBondContact OD1-NZ 3.15Å; K437-K439 PolarHBondContact O-N 3.05Å; K437-M440 PolarHBondContact O-N 2.93Å; K437-V441 WeakPolarHBondContact O-CB 3.48Å; K437-V441 WeakPolarHBondContact O-CG2 3.44Å; K437-V441 PolarHBondContact O-N 3.45Å |
| 438 | G | 77.8 | Confident | 73.6 | Confident | 36 Ų | 36 | 74.9 Ų | 74.9 | 37% | 0.371 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -58.9 | -44.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | D434 G435 C436 T442 | D434-G438 PolarHBondContact O-N 3.45Å; G435-G438 PolarHBondContact O-N 2.95Å; C436-G438 VanDerWaalsContact C-N 3.33Å; C436-G438 PolarHBondContact O-N 3Å; G438-T442 WeakPolarHBondContact O-CB 3.34Å; G438-T442 PolarHBondContact O-N 3.02Å; G438-T442 PolarHBondContact O-OG1 3.04Å |
| 439 | K | 78.9 | Confident | 74.5 | Confident | 122 Ų | 122 | 71.9 Ų | 71.9 | 53% | 0.53 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.2 | -45.8 | 173.8 | -71.4 | 177 | -178.9 | 178 | 0 | 111.9 | I422 G435 C436 K437 T442 L443 | I422-K439 HydrophobicContact CD1-CB 3.96Å; I422-K439 HydrophobicContact CG1-CB 4.24Å; G435-K439 WeakPolarHBondContact O-CG 3.47Å; G435-K439 PolarHBondContact O-N 3.07Å; G435-K439 VanDerWaalsContact O-N 3.12Å; C436-K439 PolarHBondContact O-N 3.26Å; K437-K439 PolarHBondContact O-N 3.05Å; K439-T442 WeakPolarHBondContact O-CB 3.45Å; K439-T442 PolarHBondContact O-N 3.17Å; K439-L443 PolarHBondContact O-N 2.97Å |
| 440 | M | 76 | Confident | 75.7 | Confident | 83 Ų | 83 | 71.9 Ų | 71.9 | 41% | 0.409 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -68.2 | -40.8 | -178.3 | -165.9 | 150.6 | 80.6 | 0 | 0 | 112.7 | I422 C436 K437 T442 L443 I444 | I422-M440 HydrophobicContact CG2-CB 4.48Å; C436-M440 PolarHBondContact O-N 3.09Å; K437-M440 PolarHBondContact O-N 2.93Å; M440-T442 VanDerWaalsContact C-N 3.3Å; M440-T442 PolarHBondContact O-N 3.36Å; M440-L443 PolarHBondContact O-N 3.37Å; M440-I444 HydrophobicContact CG-CD1 4.02Å; M440-I444 WeakPolarHBondContact O-CB 3.5Å; M440-I444 VanDerWaalsContact O-CG1 3.27Å; M440-I444 WeakPolarHBondContact O-CG1 3.39Å; M440-I444 PolarHBondContact O-N 3.33Å |
| 441 | V | 79.8 | Confident | 76.6 | Confident | 73 Ų | 73 | 71 Ų | 71 | 44% | 0.442 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.6 | -39.2 | 172.2 | 169.5 | 0 | 0 | 0 | 0 | 111.2 | K437 K445 | K437-V441 WeakPolarHBondContact O-CB 3.48Å; K437-V441 WeakPolarHBondContact O-CG2 3.44Å; K437-V441 PolarHBondContact O-N 3.45Å; V441-K445 HydrophobicContact CG1-CD 4.3Å; V441-K445 WeakPolarHBondContact O-CB 3.43Å; V441-K445 WeakPolarHBondContact O-CG 3.5Å; V441-K445 PolarHBondContact O-N 2.85Å |
| 442 | T | 81 | Confident | 77.8 | Confident | 86 Ų | 86 | 75.7 Ų | 75.7 | 53% | 0.528 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.4 | -46.4 | 175.7 | -55.9 | 0 | 0 | 0 | 0 | 111 | G438 K439 M440 I444 K445 T446 | G438-T442 WeakPolarHBondContact O-CB 3.34Å; G438-T442 PolarHBondContact O-N 3.02Å; G438-T442 PolarHBondContact O-OG1 3.04Å; K439-T442 WeakPolarHBondContact O-CB 3.45Å; K439-T442 PolarHBondContact O-N 3.17Å; M440-T442 VanDerWaalsContact C-N 3.3Å; M440-T442 PolarHBondContact O-N 3.36Å; T442-I444 PolarHBondContact O-N 2.85Å; T442-K445 PolarHBondContact O-N 3.23Å; T442-T446 PolarHBondContact O-N 3.35Å; T442-T446 PolarHBondContact O-OG1 3.23Å; T442-T446 VanDerWaalsContact O-OG1 3.12Å |
| 443 | L | 80.3 | Confident | 78.7 | Confident | 21 Ų | 21 | 77.7 Ų | 77.7 | 11% | 0.11 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -60.9 | -45.6 | 177 | -173.3 | 63.5 | 0 | 0 | 0 | 111.9 | Q418 V419 I422 K439 M440 K445 T446 V447 | Q418-L443 HydrophobicContact CB-CD2 4.35Å; V419-L443 HydrophobicContact CG2-CD2 3.6Å; I422-L443 HydrophobicContact CD1-CD2 4.29Å; K439-L443 PolarHBondContact O-N 2.97Å; M440-L443 PolarHBondContact O-N 3.37Å; L443-K445 VanDerWaalsContact C-N 3.35Å; L443-K445 PolarHBondContact O-N 2.96Å; L443-T446 PolarHBondContact O-N 2.93Å; L443-V447 HydrophobicContact CD1-CG2 4.4Å; L443-V447 HydrophobicContact CG-CG2 4.5Å; L443-V447 WeakPolarHBondContact O-CB 3.48Å; L443-V447 WeakPolarHBondContact O-CG2 3.32Å; L443-V447 PolarHBondContact O-N 2.89Å |
| 444 | I | 81.3 | Confident | 79.1 | Confident | 110 Ų | 110 | 77 Ų | 77 | 56% | 0.564 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -61.2 | -41.7 | 176.8 | -69.6 | 165.2 | 0 | 0 | 0 | 111.2 | M440 T442 G448 | M440-I444 HydrophobicContact CG-CD1 4.02Å; M440-I444 WeakPolarHBondContact O-CB 3.5Å; M440-I444 VanDerWaalsContact O-CG1 3.27Å; M440-I444 WeakPolarHBondContact O-CG1 3.39Å; M440-I444 PolarHBondContact O-N 3.33Å; T442-I444 PolarHBondContact O-N 2.85Å; I444-G448 PolarHBondContact O-N 2.92Å |
| 445 | K | 84.3 | Confident | 79.5 | Confident | 152 Ų | 152 | 80 Ų | 80 | 66% | 0.661 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -63 | -43.7 | 174.7 | -77.3 | 178.3 | 178.5 | -177.2 | 0 | 112 | V441 T442 L443 G448 S449 | V441-K445 HydrophobicContact CG1-CD 4.3Å; V441-K445 WeakPolarHBondContact O-CB 3.43Å; V441-K445 WeakPolarHBondContact O-CG 3.5Å; V441-K445 PolarHBondContact O-N 2.85Å; T442-K445 PolarHBondContact O-N 3.23Å; L443-K445 VanDerWaalsContact C-N 3.35Å; L443-K445 PolarHBondContact O-N 2.96Å; K445-G448 PolarHBondContact O-N 3Å; K445-S449 WeakPolarHBondContact O-CB 3.28Å; K445-S449 PolarHBondContact O-N 2.89Å |
| 446 | T | 82.3 | Confident | 79.8 | Confident | 66 Ų | 66 | 83 Ų | 83 | 41% | 0.405 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -60.8 | -54.7 | 176.1 | -58.9 | 0 | 0 | 0 | 0 | 110.8 | T442 L443 G448 S449 E450 | T442-T446 PolarHBondContact O-N 3.35Å; T442-T446 PolarHBondContact O-OG1 3.23Å; T442-T446 VanDerWaalsContact O-OG1 3.12Å; L443-T446 PolarHBondContact O-N 2.93Å; T446-G448 VanDerWaalsContact C-N 3.29Å; T446-G448 PolarHBondContact O-N 2.97Å; T446-S449 PolarHBondContact O-N 3.23Å; T446-S449 PolarHBondContact O-OG 3.14Å; T446-E450 PolarHBondContact O-N 3.01Å |
| 447 | V | 80.4 | Confident | 80.3 | Confident | 27 Ų | 27 | 88.2 Ų | 88.2 | 16% | 0.164 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -59.8 | -38.5 | 179.3 | 173.1 | 0 | 0 | 0 | 0 | 111.7 | W412 I415 L443 E450 N451 | W412-V447 HydrophobicContact CH2-CG1 4.04Å; W412-V447 HydrophobicContact CZ3-CG1 4.16Å; I415-V447 HydrophobicContact CD1-CG2 4.04Å; I415-V447 HydrophobicContact CG1-CG2 4.43Å; I415-V447 HydrophobicContact CG2-CG2 4.07Å; L443-V447 HydrophobicContact CD1-CG2 4.4Å; L443-V447 HydrophobicContact CG-CG2 4.5Å; L443-V447 WeakPolarHBondContact O-CB 3.48Å; L443-V447 WeakPolarHBondContact O-CG2 3.32Å; L443-V447 PolarHBondContact O-N 2.89Å; V447-E450 PolarHBondContact O-N 3.31Å; V447-N451 WeakPolarHBondContact CG1-ND2 3.29Å; V447-N451 WeakPolarHBondContact O-CB 3.49Å; V447-N451 PolarHBondContact O-N 2.88Å; V447-N451 PolarHBondContact O-ND2 2.99Å |
| 448 | G | 82.3 | Confident | 80.5 | Confident | 41 Ų | 41 | 87.9 Ų | 87.9 | 42% | 0.423 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.4 | -43.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | I444 K445 T446 N451 Y452 | I444-G448 PolarHBondContact O-N 2.92Å; K445-G448 PolarHBondContact O-N 3Å; T446-G448 VanDerWaalsContact C-N 3.29Å; T446-G448 PolarHBondContact O-N 2.97Å; G448-N451 PolarHBondContact O-N 2.9Å; G448-Y452 WeakPolarHBondContact O-CB 3.45Å; G448-Y452 PolarHBondContact O-N 3.07Å |
| 449 | S | 83.7 | Confident | 80.7 | Confident | 55 Ų | 55 | 91.2 Ų | 91.2 | 39% | 0.385 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -67.2 | -35.6 | 177.6 | 79.3 | 0 | 0 | 0 | 0 | 113.1 | K445 T446 K453 | K445-S449 WeakPolarHBondContact O-CB 3.28Å; K445-S449 PolarHBondContact O-N 2.89Å; T446-S449 PolarHBondContact O-N 3.23Å; T446-S449 PolarHBondContact O-OG 3.14Å; S449-K453 WeakPolarHBondContact O-CG 3.49Å; S449-K453 PolarHBondContact O-N 3.49Å; S449-K453 VanDerWaalsContact O-N 3.15Å |
| 450 | E | 80 | Confident | 80.8 | Confident | 77 Ų | 77 | 91.5 Ų | 91.5 | 36% | 0.36 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -71.6 | -42.7 | 174.8 | -68.8 | -164.9 | 140.1 | 0 | 0 | 111.4 | T446 V447 Y452 K453 L454 | T446-E450 PolarHBondContact O-N 3.01Å; V447-E450 PolarHBondContact O-N 3.31Å; E450-Y452 VanDerWaalsContact C-N 3.3Å; E450-Y452 PolarHBondContact O-N 3.42Å; E450-K453 PolarHBondContact O-N 3.01Å; E450-L454 WeakPolarHBondContact O-CG 3.47Å; E450-L454 PolarHBondContact O-N 2.9Å |
| 451 | N | 78.8 | Confident | 80.7 | Confident | 53 Ų | 53 | 89.8 Ų | 89.8 | 28% | 0.283 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.1 | -37.4 | 173.3 | -88.1 | -83.6 | 0 | 0 | 0 | 112.6 | V447 G448 L454 R455 | V447-N451 WeakPolarHBondContact CG1-ND2 3.29Å; V447-N451 WeakPolarHBondContact O-CB 3.49Å; V447-N451 PolarHBondContact O-N 2.88Å; V447-N451 PolarHBondContact O-ND2 2.99Å; G448-N451 PolarHBondContact O-N 2.9Å; N451-L454 PolarHBondContact O-N 3.1Å; N451-R455 VanDerWaalsContact O-CG 3.3Å; N451-R455 WeakPolarHBondContact O-CG 3.49Å; N451-R455 PolarHBondContact O-N 3.34Å |
| 452 | Y | 83 | Confident | 80.7 | Confident | 157 Ų | 157 | 89.7 Ų | 89.7 | 62% | 0.616 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -62.8 | -49.2 | 174.7 | -174.5 | -85.6 | 0 | 0 | 0 | 111.1 | G448 E450 L454 R455 E456 | G448-Y452 WeakPolarHBondContact O-CB 3.45Å; G448-Y452 PolarHBondContact O-N 3.07Å; E450-Y452 VanDerWaalsContact C-N 3.3Å; E450-Y452 PolarHBondContact O-N 3.42Å; Y452-L454 VanDerWaalsContact C-N 3.34Å; Y452-L454 PolarHBondContact O-N 2.93Å; Y452-R455 WeakPolarHBondContact O-CB 3.35Å; Y452-R455 PolarHBondContact O-N 3.49Å; Y452-R455 VanDerWaalsContact O-N 3.16Å; Y452-E456 PolarHBondContact O-N 3.02Å |
| 453 | K | 84 | Confident | 80.7 | Confident | 124 Ų | 124 | 89.4 Ų | 89.4 | 54% | 0.539 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -59.7 | -40.7 | 176 | -71.9 | 171.1 | -178.6 | 174.6 | 0 | 112.7 | S449 E450 E456 Q457 | S449-K453 WeakPolarHBondContact O-CG 3.49Å; S449-K453 PolarHBondContact O-N 3.49Å; S449-K453 VanDerWaalsContact O-N 3.15Å; E450-K453 PolarHBondContact O-N 3.01Å; K453-E456 PolarHBondContact O-N 3.46Å; K453-Q457 WeakPolarHBondContact O-CB 3.32Å; K453-Q457 WeakPolarHBondContact O-CG 3.37Å; K453-Q457 PolarHBondContact O-N 3.35Å |
| 454 | L | 76.9 | Confident | 80.7 | Confident | 73 Ų | 73 | 94.1 Ų | 94.1 | 38% | 0.382 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.5 | -37.2 | 176.5 | -73.1 | 169.8 | 0 | 0 | 0 | 112.1 | E450 N451 Y452 L458 | E450-L454 WeakPolarHBondContact O-CG 3.47Å; E450-L454 PolarHBondContact O-N 2.9Å; N451-L454 PolarHBondContact O-N 3.1Å; Y452-L454 VanDerWaalsContact C-N 3.34Å; Y452-L454 PolarHBondContact O-N 2.93Å; L454-L458 VanDerWaalsContact O-CB 3.27Å; L454-L458 WeakPolarHBondContact O-CB 3.35Å; L454-L458 PolarHBondContact O-N 3.23Å |
| 455 | R | 79 | Confident | 80.5 | Confident | 171 Ų | 171 | 93 Ų | 93 | 65% | 0.645 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -67.5 | -39.3 | 173.4 | -73.7 | 170.4 | -177.9 | -96.9 | 0.7 | 112.2 | N451 Y452 L458 N459 | N451-R455 VanDerWaalsContact O-CG 3.3Å; N451-R455 WeakPolarHBondContact O-CG 3.49Å; N451-R455 PolarHBondContact O-N 3.34Å; Y452-R455 WeakPolarHBondContact O-CB 3.35Å; Y452-R455 PolarHBondContact O-N 3.49Å; Y452-R455 VanDerWaalsContact O-N 3.16Å; R455-L458 PolarHBondContact O-N 2.89Å; R455-N459 WeakPolarHBondContact O-CB 3.43Å; R455-N459 VanDerWaalsContact O-CG 3.24Å; R455-N459 PolarHBondContact O-N 3.15Å; R455-N459 PolarHBondContact O-ND2 3.5Å |
| 456 | E | 81.4 | Confident | 80.5 | Confident | 95 Ų | 95 | 92 Ų | 92 | 44% | 0.444 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.8 | -49.5 | 175.3 | -165.7 | 165.3 | -142.8 | 0 | 0 | 110.7 | Y452 K453 L458 N459 E460 | Y452-E456 PolarHBondContact O-N 3.02Å; K453-E456 PolarHBondContact O-N 3.46Å; E456-L458 VanDerWaalsContact C-N 3.34Å; E456-L458 PolarHBondContact O-N 3.32Å; E456-N459 PolarHBondContact O-N 2.97Å; E456-E460 WeakPolarHBondContact O-CG 3.44Å; E456-E460 PolarHBondContact O-N 3.25Å |
| 457 | Q | 79.9 | Confident | 80.6 | Confident | 118 Ų | 118 | 94.4 Ų | 94.4 | 55% | 0.551 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -60.7 | -37.7 | 173.8 | -72.8 | 178.1 | -10.8 | 0 | 0 | 113.3 | K453 A461 | K453-Q457 WeakPolarHBondContact O-CB 3.32Å; K453-Q457 WeakPolarHBondContact O-CG 3.37Å; K453-Q457 PolarHBondContact O-N 3.35Å; Q457-A461 WeakPolarHBondContact O-CB 3.42Å; Q457-A461 PolarHBondContact O-N 2.94Å |
| 458 | L | 79.7 | Confident | 80.5 | Confident | 106 Ų | 106 | 96.4 Ų | 96.4 | 56% | 0.555 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -66.5 | -41.8 | 175.8 | -175.6 | 61.2 | 0 | 0 | 0 | 111.5 | L454 R455 E456 A461 C462 | L454-L458 VanDerWaalsContact O-CB 3.27Å; L454-L458 WeakPolarHBondContact O-CB 3.35Å; L454-L458 PolarHBondContact O-N 3.23Å; R455-L458 PolarHBondContact O-N 2.89Å; E456-L458 VanDerWaalsContact C-N 3.34Å; E456-L458 PolarHBondContact O-N 3.32Å; L458-A461 PolarHBondContact O-N 2.9Å; L458-C462 WeakPolarHBondContact O-CB 3.42Å; L458-C462 PolarHBondContact O-N 3.37Å; L458-C462 PolarHBondContact O-SG 3.36Å; L458-C462 VanDerWaalsContact O-SG 3.41Å |
| 459 | N | 81.4 | Confident | 80.4 | Confident | 106 Ų | 106 | 100.5 Ų | 100.5 | 57% | 0.567 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.7 | -43 | 175.6 | -73.3 | -18.4 | 0 | 0 | 0 | 111.5 | R455 E456 C462 C463 | R455-N459 WeakPolarHBondContact O-CB 3.43Å; R455-N459 VanDerWaalsContact O-CG 3.24Å; R455-N459 PolarHBondContact O-N 3.15Å; R455-N459 PolarHBondContact O-ND2 3.5Å; E456-N459 PolarHBondContact O-N 2.97Å; N459-C462 PolarHBondContact O-N 3.13Å; N459-C463 PolarHBondContact O-N 2.9Å; N459-C463 PolarHBondContact O-SG 3.43Å; N459-C463 VanDerWaalsContact O-SG 3.41Å |
| 460 | E | 80.9 | Confident | 80.6 | Confident | 128 Ų | 128 | 103.4 Ų | 103.4 | 60% | 0.598 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -58.7 | -46.4 | 172.8 | -72.6 | -178.5 | 163.2 | 0 | 0 | 111.6 | E456 C462 C463 F464 | E456-E460 WeakPolarHBondContact O-CG 3.44Å; E456-E460 PolarHBondContact O-N 3.25Å; E460-C462 PolarHBondContact O-N 2.71Å; E460-C463 PolarHBondContact O-N 3.4Å; E460-F464 WeakPolarHBondContact O-CB 3.5Å; E460-F464 PolarHBondContact O-N 3.06Å |
| 461 | A | 75.4 | Confident | 80.7 | Confident | 46 Ų | 46 | 104.7 Ų | 104.7 | 38% | 0.38 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.1 | -38.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q457 L458 F464 N465 | Q457-A461 WeakPolarHBondContact O-CB 3.42Å; Q457-A461 PolarHBondContact O-N 2.94Å; L458-A461 PolarHBondContact O-N 2.9Å; A461-F464 PolarHBondContact O-N 2.88Å; A461-N465 WeakPolarHBondContact O-CB 3.37Å; A461-N465 PolarHBondContact O-N 3.47Å |
| 462 | C | 79.4 | Confident | 80.8 | Confident | 71 Ų | 71 | 106.7 Ų | 106.7 | 48% | 0.48 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.5 | -43 | 173.2 | -78.6 | 0 | 0 | 0 | 0 | 112.1 | L458 N459 E460 N465 K466 | L458-C462 WeakPolarHBondContact O-CB 3.42Å; L458-C462 PolarHBondContact O-N 3.37Å; L458-C462 PolarHBondContact O-SG 3.36Å; L458-C462 VanDerWaalsContact O-SG 3.41Å; N459-C462 PolarHBondContact O-N 3.13Å; E460-C462 PolarHBondContact O-N 2.71Å; C462-N465 PolarHBondContact O-N 2.74Å; C462-K466 WeakPolarHBondContact O-CB 3.27Å; C462-K466 PolarHBondContact O-N 3.04Å |
| 463 | C | 81.1 | Confident | 80.9 | Confident | 81 Ų | 81 | 106 Ų | 106 | 55% | 0.547 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62 | -41.8 | 174 | -74.9 | 0 | 0 | 0 | 0 | 112.1 | N459 E460 K466 Q467 | N459-C463 PolarHBondContact O-N 2.9Å; N459-C463 PolarHBondContact O-SG 3.43Å; N459-C463 VanDerWaalsContact O-SG 3.41Å; E460-C463 PolarHBondContact O-N 3.4Å; C463-K466 PolarHBondContact O-N 3.46Å; C463-Q467 WeakPolarHBondContact O-CG 3.46Å; C463-Q467 PolarHBondContact O-N 2.84Å; C463-Q467 VanDerWaalsContact O-N 3.13Å |
| 464 | F | 79.7 | Confident | 81 | Confident | 119 Ų | 119 | 105.3 Ų | 105.3 | 52% | 0.522 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66 | -43.6 | 177 | -178.6 | -105.9 | 0 | 0 | 0 | 112.6 | E460 A461 K466 Q467 L468 | E460-F464 WeakPolarHBondContact O-CB 3.5Å; E460-F464 PolarHBondContact O-N 3.06Å; A461-F464 PolarHBondContact O-N 2.88Å; F464-K466 VanDerWaalsContact C-N 3.33Å; F464-K466 PolarHBondContact O-N 3.04Å; F464-Q467 WeakPolarHBondContact O-CB 3.44Å; F464-Q467 PolarHBondContact O-N 3.12Å; F464-L468 HydrophobicContact CD1-CD1 3.92Å; F464-L468 HydrophobicContact CD1-CG 4.47Å; F464-L468 HydrophobicContact CE1-CD1 3.41Å; F464-L468 VanDerWaalsContact CE1-CD1 3.41Å; F464-L468 HydrophobicContact CE1-CG 4.07Å; F464-L468 HydrophobicContact CZ-CD1 3.92Å; F464-L468 HydrophobicContact CZ-CD2 4.44Å; F464-L468 HydrophobicContact CZ-CG 4.16Å; F464-L468 PolarHBondContact O-N 2.88Å |
| 465 | N | 76.9 | Confident | 81.3 | Confident | 86 Ų | 86 | 109.6 Ų | 109.6 | 46% | 0.46 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.1 | -42.7 | 174.7 | -76.1 | -15.6 | 0 | 0 | 0 | 111.6 | A461 C462 Q467 L468 E469 | A461-N465 WeakPolarHBondContact O-CB 3.37Å; A461-N465 PolarHBondContact O-N 3.47Å; C462-N465 PolarHBondContact O-N 2.74Å; N465-Q467 VanDerWaalsContact C-N 3.29Å; N465-Q467 PolarHBondContact O-N 2.96Å; N465-L468 WeakPolarHBondContact O-CB 3.49Å; N465-L468 PolarHBondContact O-N 3.43Å; N465-L468 VanDerWaalsContact O-N 3.09Å; N465-E469 WeakPolarHBondContact O-CG 3.31Å; N465-E469 PolarHBondContact O-N 2.98Å |
| 466 | K | 84.8 | Confident | 81.5 | Confident | 133 Ų | 133 | 105.7 Ų | 105.7 | 58% | 0.578 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.7 | -34.3 | 176.8 | -167.2 | 172.6 | -175.3 | 175.6 | 0 | 112.8 | C462 C463 F464 Q470 | C462-K466 WeakPolarHBondContact O-CB 3.27Å; C462-K466 PolarHBondContact O-N 3.04Å; C463-K466 PolarHBondContact O-N 3.46Å; F464-K466 VanDerWaalsContact C-N 3.33Å; F464-K466 PolarHBondContact O-N 3.04Å; K466-Q470 WeakPolarHBondContact O-CG 3.4Å; K466-Q470 PolarHBondContact O-N 3.2Å |
| 467 | Q | 83 | Confident | 81.8 | Confident | 116 Ų | 116 | 105.7 Ų | 105.7 | 54% | 0.542 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69.9 | -38.3 | 172 | -72.2 | 178.9 | -7.1 | 0 | 0 | 112.4 | C463 F464 N465 Q470 Q471 | C463-Q467 WeakPolarHBondContact O-CG 3.46Å; C463-Q467 PolarHBondContact O-N 2.84Å; C463-Q467 VanDerWaalsContact O-N 3.13Å; F464-Q467 WeakPolarHBondContact O-CB 3.44Å; F464-Q467 PolarHBondContact O-N 3.12Å; N465-Q467 VanDerWaalsContact C-N 3.29Å; N465-Q467 PolarHBondContact O-N 2.96Å; Q467-Q470 PolarHBondContact O-N 3.17Å; Q467-Q471 PolarHBondContact O-N 3.38Å |
| 468 | L | 79.6 | Confident | 82 | Confident | 69 Ų | 69 | 103.3 Ų | 103.3 | 36% | 0.361 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.2 | -42.7 | 175.1 | -78.5 | 175.7 | 0 | 0 | 0 | 112.1 | F464 N465 Q470 Q471 I472 | F464-L468 HydrophobicContact CD1-CD1 3.92Å; F464-L468 HydrophobicContact CD1-CG 4.47Å; F464-L468 HydrophobicContact CE1-CD1 3.41Å; F464-L468 VanDerWaalsContact CE1-CD1 3.41Å; F464-L468 HydrophobicContact CE1-CG 4.07Å; F464-L468 HydrophobicContact CZ-CD1 3.92Å; F464-L468 HydrophobicContact CZ-CD2 4.44Å; F464-L468 HydrophobicContact CZ-CG 4.16Å; F464-L468 PolarHBondContact O-N 2.88Å; N465-L468 WeakPolarHBondContact O-CB 3.49Å; N465-L468 PolarHBondContact O-N 3.43Å; N465-L468 VanDerWaalsContact O-N 3.09Å; L468-Q470 PolarHBondContact O-N 3Å; L468-Q471 PolarHBondContact O-N 3.26Å; L468-I472 VanDerWaalsContact O-CG1 3.29Å; L468-I472 WeakPolarHBondContact O-CG1 3.37Å; L468-I472 PolarHBondContact O-N 3.04Å |
| 469 | E | 80.8 | Confident | 82.1 | Confident | 126 Ų | 126 | 103.2 Ų | 103.2 | 59% | 0.589 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -56.7 | -49 | 175 | -73.4 | 167.2 | 172.4 | 0 | 0 | 110.8 | N465 Q471 I472 E473 | N465-E469 WeakPolarHBondContact O-CG 3.31Å; N465-E469 PolarHBondContact O-N 2.98Å; E469-Q471 VanDerWaalsContact C-N 3.33Å; E469-Q471 PolarHBondContact O-N 3.42Å; E469-I472 PolarHBondContact O-N 2.83Å; E469-I472 VanDerWaalsContact O-N 3.14Å; E469-E473 WeakPolarHBondContact O-CB 3.46Å; E469-E473 PolarHBondContact O-N 3.1Å |
| 470 | Q | 86.7 | Confident | 82.1 | Confident | 116 Ų | 116 | 101.9 Ų | 101.9 | 54% | 0.542 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.7 | -38.5 | 175.2 | -72.2 | 175.1 | -16.1 | 0 | 0 | 113.1 | K466 Q467 L468 L474 | K466-Q470 WeakPolarHBondContact O-CG 3.4Å; K466-Q470 PolarHBondContact O-N 3.2Å; Q467-Q470 PolarHBondContact O-N 3.17Å; L468-Q470 PolarHBondContact O-N 3Å; Q470-L474 WeakPolarHBondContact O-CB 3.47Å; Q470-L474 PolarHBondContact O-N 3.49Å |
| 471 | Q | 81.9 | Confident | 82.2 | Confident | 105 Ų | 105 | 101.3 Ų | 101.3 | 49% | 0.491 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -70.1 | -35.4 | 174.9 | -75.3 | -163.5 | 27.4 | 0 | 0 | 113.2 | Q467 L468 E469 R475 | Q467-Q471 PolarHBondContact O-N 3.38Å; L468-Q471 PolarHBondContact O-N 3.26Å; E469-Q471 VanDerWaalsContact C-N 3.33Å; E469-Q471 PolarHBondContact O-N 3.42Å; Q471-R475 WeakPolarHBondContact O-CB 3.45Å; Q471-R475 VanDerWaalsContact O-CG 3.27Å; Q471-R475 WeakPolarHBondContact O-CG 3.34Å; Q471-R475 PolarHBondContact O-N 2.98Å |
| 472 | I | 82.1 | Confident | 82.3 | Confident | 95 Ų | 95 | 102.7 Ų | 102.7 | 49% | 0.487 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.2 | -43.1 | 176.1 | -70.5 | 164.5 | 0 | 0 | 0 | 109.8 | L468 E469 R475 N476 | L468-I472 VanDerWaalsContact O-CG1 3.29Å; L468-I472 WeakPolarHBondContact O-CG1 3.37Å; L468-I472 PolarHBondContact O-N 3.04Å; E469-I472 PolarHBondContact O-N 2.83Å; E469-I472 VanDerWaalsContact O-N 3.14Å; I472-R475 PolarHBondContact O-N 2.98Å; I472-N476 WeakPolarHBondContact O-CB 3.42Å; I472-N476 VanDerWaalsContact O-CG 3.22Å; I472-N476 PolarHBondContact O-N 3.21Å; I472-N476 PolarHBondContact O-ND2 3.08Å |
| 473 | E | 84.3 | Confident | 82.3 | Confident | 141 Ų | 141 | 105 Ų | 105 | 66% | 0.659 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61 | -48.9 | 176.8 | -168.2 | 165.9 | -144.9 | 0 | 0 | 111.6 | E469 R475 N476 E477 | E469-E473 WeakPolarHBondContact O-CB 3.46Å; E469-E473 PolarHBondContact O-N 3.1Å; E473-R475 VanDerWaalsContact C-N 3.31Å; E473-R475 PolarHBondContact O-N 3.39Å; E473-N476 PolarHBondContact O-N 3.06Å; E473-E477 PolarHBondContact O-N 2.92Å |
| 474 | L | 86.6 | Confident | 82.1 | Confident | 111 Ų | 111 | 104.5 Ų | 104.5 | 58% | 0.581 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59.5 | -38.6 | 175.1 | -165.3 | 92.9 | 0 | 0 | 0 | 112.8 | Q470 T478 | Q470-L474 WeakPolarHBondContact O-CB 3.47Å; Q470-L474 PolarHBondContact O-N 3.49Å; L474-T478 WeakPolarHBondContact O-CB 3.14Å; L474-T478 PolarHBondContact O-N 3.32Å; L474-T478 PolarHBondContact O-OG1 3.03Å |
| 475 | R | 83.7 | Confident | 81.9 | Confident | 162 Ų | 162 | 102.2 Ų | 102.2 | 61% | 0.611 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -68 | -42.3 | 175.5 | -77.8 | 177.4 | -176.3 | -168.7 | 4.2 | 111.8 | Q471 I472 E473 T478 I479 | Q471-R475 WeakPolarHBondContact O-CB 3.45Å; Q471-R475 VanDerWaalsContact O-CG 3.27Å; Q471-R475 WeakPolarHBondContact O-CG 3.34Å; Q471-R475 PolarHBondContact O-N 2.98Å; I472-R475 PolarHBondContact O-N 2.98Å; E473-R475 VanDerWaalsContact C-N 3.31Å; E473-R475 PolarHBondContact O-N 3.39Å; R475-T478 WeakPolarHBondContact O-CB 3.43Å; R475-T478 PolarHBondContact O-N 3.08Å; R475-I479 VanDerWaalsContact O-CG1 3.28Å; R475-I479 WeakPolarHBondContact O-CG1 3.23Å; R475-I479 PolarHBondContact O-N 3.04Å |
| 476 | N | 83 | Confident | 81.8 | Confident | 89 Ų | 89 | 104.2 Ų | 104.2 | 48% | 0.476 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.4 | -43.4 | 176.6 | -70.8 | -18.2 | 0 | 0 | 0 | 111 | I472 E473 T478 I479 C480 | I472-N476 WeakPolarHBondContact O-CB 3.42Å; I472-N476 VanDerWaalsContact O-CG 3.22Å; I472-N476 PolarHBondContact O-N 3.21Å; I472-N476 PolarHBondContact O-ND2 3.08Å; E473-N476 PolarHBondContact O-N 3.06Å; N476-T478 VanDerWaalsContact C-N 3.3Å; N476-T478 PolarHBondContact O-N 3.39Å; N476-I479 PolarHBondContact O-N 3.27Å; N476-C480 PolarHBondContact O-N 2.92Å; N476-C480 PolarHBondContact O-SG 3.48Å; N476-C480 VanDerWaalsContact O-SG 3.38Å |
| 477 | E | 86.8 | Confident | 81.4 | Confident | 95 Ų | 95 | 104.3 Ų | 104.3 | 44% | 0.444 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.8 | -42 | 173.6 | -164.5 | -161.6 | 161.8 | 0 | 0 | 111.6 | E473 C480 K481 | E473-E477 PolarHBondContact O-N 2.92Å; E477-C480 PolarHBondContact O-N 3.13Å; E477-K481 WeakPolarHBondContact O-CG 3.48Å; E477-K481 PolarHBondContact O-N 3.49Å; E477-K481 WeakPolarHBondContact OE1-CE 3.25Å; E477-K481 IonicContact OE1-NZ 2.64Å; E477-K481 PolarHBondContact OE1-NZ 2.92Å |
| 478 | T | 84.6 | Confident | 80.9 | Confident | 68 Ų | 68 | 103.6 Ų | 103.6 | 42% | 0.417 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.7 | -43.1 | 176.2 | -55.6 | 0 | 0 | 0 | 0 | 111.9 | L474 R475 N476 K481 L482 | L474-T478 WeakPolarHBondContact O-CB 3.14Å; L474-T478 PolarHBondContact O-N 3.32Å; L474-T478 PolarHBondContact O-OG1 3.03Å; R475-T478 WeakPolarHBondContact O-CB 3.43Å; R475-T478 PolarHBondContact O-N 3.08Å; N476-T478 VanDerWaalsContact C-N 3.3Å; N476-T478 PolarHBondContact O-N 3.39Å; T478-K481 PolarHBondContact O-N 2.92Å; T478-L482 HydrophobicContact CG2-CD1 4.2Å; T478-L482 WeakPolarHBondContact O-CG 3.43Å; T478-L482 PolarHBondContact O-N 3.2Å |
| 479 | I | 81.6 | Confident | 79.8 | Confident | 104 Ų | 104 | 103.6 Ų | 103.6 | 53% | 0.533 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.8 | -42.8 | 176.1 | -70.5 | 163.7 | 0 | 0 | 0 | 110.6 | R475 N476 L482 K483 | R475-I479 VanDerWaalsContact O-CG1 3.28Å; R475-I479 WeakPolarHBondContact O-CG1 3.23Å; R475-I479 PolarHBondContact O-N 3.04Å; N476-I479 PolarHBondContact O-N 3.27Å; I479-L482 PolarHBondContact O-N 3.25Å; I479-K483 VanDerWaalsContact O-CB 3.32Å; I479-K483 WeakPolarHBondContact O-CB 3.37Å; I479-K483 PolarHBondContact O-N 3.46Å |
| 480 | C | 80.6 | Confident | 78.4 | Confident | 79 Ų | 79 | 104.1 Ų | 104.1 | 53% | 0.534 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.8 | -46.5 | 174.5 | -72.5 | 0 | 0 | 0 | 0 | 111.8 | N476 E477 L482 K483 C484 | N476-C480 PolarHBondContact O-N 2.92Å; N476-C480 PolarHBondContact O-SG 3.48Å; N476-C480 VanDerWaalsContact O-SG 3.38Å; E477-C480 PolarHBondContact O-N 3.13Å; C480-L482 PolarHBondContact O-N 3.05Å; C480-K483 PolarHBondContact O-N 2.93Å; C480-C484 PolarHBondContact O-N 3.19Å; C480-C484 PolarHBondContact O-SG 3.03Å; C480-C484 VanDerWaalsContact O-SG 3.34Å |
| 481 | K | 83.5 | Confident | 76.8 | Confident | 115 Ų | 115 | 104 Ų | 104 | 50% | 0.5 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59 | -45.2 | 176.1 | -75.4 | 171.3 | -179 | 169.3 | 0 | 112.5 | E477 T478 C484 Q485 | E477-K481 WeakPolarHBondContact O-CG 3.48Å; E477-K481 PolarHBondContact O-N 3.49Å; E477-K481 WeakPolarHBondContact OE1-CE 3.25Å; E477-K481 IonicContact OE1-NZ 2.64Å; E477-K481 PolarHBondContact OE1-NZ 2.92Å; T478-K481 PolarHBondContact O-N 2.92Å; K481-C484 PolarHBondContact O-N 2.92Å; K481-Q485 WeakPolarHBondContact O-CG 3.37Å; K481-Q485 PolarHBondContact O-N 3.45Å |
| 482 | L | 77.3 | Confident | 75.5 | Confident | 76 Ų | 76 | 104 Ų | 104 | 40% | 0.398 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.5 | -38.5 | 176.7 | -71.6 | 170.7 | 0 | 0 | 0 | 112.1 | T478 I479 C480 Q485 L486 L492 | T478-L482 HydrophobicContact CG2-CD1 4.2Å; T478-L482 WeakPolarHBondContact O-CG 3.43Å; T478-L482 PolarHBondContact O-N 3.2Å; I479-L482 PolarHBondContact O-N 3.25Å; C480-L482 PolarHBondContact O-N 3.05Å; L482-Q485 PolarHBondContact O-N 3.15Å; L482-L486 WeakPolarHBondContact O-CG 3.49Å; L482-L486 PolarHBondContact O-N 3.27Å; L482-L492 HydrophobicContact CD2-CD2 4.47Å |
| 483 | K | 79.9 | Confident | 74.2 | Confident | 119 Ų | 119 | 103.9 Ų | 103.9 | 52% | 0.517 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.6 | -46 | 176.5 | -171.9 | -179.2 | 170.5 | -168 | 0 | 111.4 | I479 C480 Q485 L486 E487 | I479-K483 VanDerWaalsContact O-CB 3.32Å; I479-K483 WeakPolarHBondContact O-CB 3.37Å; I479-K483 PolarHBondContact O-N 3.46Å; C480-K483 PolarHBondContact O-N 2.93Å; K483-Q485 VanDerWaalsContact C-N 3.33Å; K483-Q485 PolarHBondContact O-N 2.86Å; K483-L486 PolarHBondContact O-N 3.25Å; K483-E487 WeakPolarHBondContact CE-OE1 3.49Å; K483-E487 IonicContact NZ-OE1 3.72Å; K483-E487 WeakPolarHBondContact O-CG 3.12Å; K483-E487 PolarHBondContact O-N 3.48Å |
| 484 | C | 77.1 | Confident | 72.6 | Confident | 71 Ų | 71 | 103.1 Ų | 103.1 | 48% | 0.48 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.8 | -39 | 175.1 | -64.4 | 0 | 0 | 0 | 0 | 112.3 | C480 K481 L486 E487 D488 | C480-C484 PolarHBondContact O-N 3.19Å; C480-C484 PolarHBondContact O-SG 3.03Å; C480-C484 VanDerWaalsContact O-SG 3.34Å; K481-C484 PolarHBondContact O-N 2.92Å; C484-L486 VanDerWaalsContact C-N 3.34Å; C484-L486 PolarHBondContact O-N 3.33Å; C484-E487 PolarHBondContact O-N 3.48Å; C484-D488 VanDerWaalsContact O-CB 3.3Å; C484-D488 WeakPolarHBondContact O-CB 3.46Å; C484-D488 PolarHBondContact O-N 3.27Å |
| 485 | Q | 75.4 | Confident | 70.7 | Confident | 70 Ų | 70 | 103.1 Ų | 103.1 | 33% | 0.327 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -63 | -38.6 | 175.6 | -73.7 | 174.1 | 4.2 | 0 | 0 | 112.9 | K481 L482 K483 K490 | K481-Q485 WeakPolarHBondContact O-CG 3.37Å; K481-Q485 PolarHBondContact O-N 3.45Å; L482-Q485 PolarHBondContact O-N 3.15Å; K483-Q485 VanDerWaalsContact C-N 3.33Å; K483-Q485 PolarHBondContact O-N 2.86Å; Q485-K490 PolarHBondContact O-N 3.45Å |
| 486 | L | 73.9 | Confident | 68.7 | Low | 129 Ų | 129 | 102.1 Ų | 102.1 | 68% | 0.675 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -69.5 | -38.4 | 175.7 | -72.5 | 167.2 | 0 | 0 | 0 | 112.5 | L482 K483 C484 G489 | L482-L486 WeakPolarHBondContact O-CG 3.49Å; L482-L486 PolarHBondContact O-N 3.27Å; K483-L486 PolarHBondContact O-N 3.25Å; C484-L486 VanDerWaalsContact C-N 3.34Å; C484-L486 PolarHBondContact O-N 3.33Å; L486-G489 PolarHBondContact O-N 3.24Å |
| 487 | E | 76.4 | Confident | 66.8 | Low | 135 Ų | 135 | 103.9 Ų | 103.9 | 63% | 0.631 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -71.7 | -34.9 | 177.1 | -72 | 174.1 | 167.8 | 0 | 0 | 112.2 | K483 C484 G489 | K483-E487 WeakPolarHBondContact CE-OE1 3.49Å; K483-E487 IonicContact NZ-OE1 3.72Å; K483-E487 WeakPolarHBondContact O-CG 3.12Å; K483-E487 PolarHBondContact O-N 3.48Å; C484-E487 PolarHBondContact O-N 3.48Å; E487-G489 PolarHBondContact O-N 2.86Å |
| 488 | D | 73.1 | Confident | 64.8 | Low | 100 Ų | 100 | 109.2 Ų | 109.2 | 54% | 0.535 | 60% | 0.6 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.8 | -6.5 | 175.8 | -93.1 | 11.8 | 0 | 0 | 0 | 114.4 | C484 K490 | C484-D488 VanDerWaalsContact O-CB 3.3Å; C484-D488 WeakPolarHBondContact O-CB 3.46Å; C484-D488 PolarHBondContact O-N 3.27Å; D488-K490 HydrophobicContact CB-CD 4.09Å; D488-K490 HydrophobicContact CB-CG 4.25Å; D488-K490 PolarHBondContact O-N 3.18Å; D488-K490 VanDerWaalsContact O-N 3.1Å; D488-K490 IonicContact OD2-NZ 2.92Å; D488-K490 PolarHBondContact OD2-NZ 3.37Å |
| 489 | G | 56 | Low | 62.7 | Low | 70 Ų | 70 | 114 Ų | 114 | 72% | 0.722 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 64.2 | 12.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | L486 E487 | L486-G489 PolarHBondContact O-N 3.24Å; E487-G489 PolarHBondContact O-N 2.86Å |
| 490 | K | 52.7 | Low | 61.1 | Low | 137 Ų | 137 | 112.9 Ų | 112.9 | 60% | 0.596 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 125.1 | 179.7 | -71.3 | 167.5 | -170.4 | 150.5 | 0 | 109.4 | Q485 D488 L492 | Q485-K490 PolarHBondContact O-N 3.45Å; D488-K490 HydrophobicContact CB-CD 4.09Å; D488-K490 HydrophobicContact CB-CG 4.25Å; D488-K490 PolarHBondContact O-N 3.18Å; D488-K490 VanDerWaalsContact O-N 3.1Å; D488-K490 IonicContact OD2-NZ 2.92Å; D488-K490 PolarHBondContact OD2-NZ 3.37Å; K490-L492 PolarHBondContact O-N 3.01Å |
| 491 | S | 53 | Low | 59.6 | Low | 113 Ų | 113 | 114.2 Ų | 114.2 | 79% | 0.79 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -54 | 135.7 | 172 | 45.9 | 0 | 0 | 0 | 0 | 110.6 | ||
| 492 | L | 54.2 | Low | 58.1 | Low | 106 Ų | 106 | 117 Ų | 117 | 56% | 0.555 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 133.8 | 175 | -85.6 | 84 | 0 | 0 | 0 | 109.4 | L482 K490 | L482-L492 HydrophobicContact CD2-CD2 4.47Å; K490-L492 PolarHBondContact O-N 3.01Å |
| 493 | P | 54.5 | Low | 56.8 | Low | 92 Ų | 92 | 118.6 Ų | 118.6 | 60% | 0.597 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 142.3 | 165.3 | 27.7 | -33.1 | 0 | 0 | 0 | 108.7 | S495 | P493-S495 PolarHBondContact O-N 3.35Å; P493-S495 VanDerWaalsContact O-N 3.14Å |
| 494 | P | 49.7 | Very low | 54.9 | Low | 125 Ų | 125 | 118.1 Ų | 118.1 | 81% | 0.812 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 122.9 | 177 | 24.9 | -32.5 | 0 | 0 | 0 | 108.8 | E496 | P494-E496 PolarHBondContact O-N 3.06Š|
| 495 | S | 47.1 | Very low | 53.4 | Low | 110 Ų | 110 | 124.5 Ų | 124.5 | 77% | 0.769 | 69% | 0.686 | S | S | * | * | trans | -69.6 | 97.3 | -174.7 | 56.4 | 0 | 0 | 0 | 0 | 110.7 | P493 T497 | P493-S495 PolarHBondContact O-N 3.35Å; P493-S495 VanDerWaalsContact O-N 3.14Å; S495-T497 PolarHBondContact O-N 3.46Å; S495-T497 VanDerWaalsContact O-N 3.13Å | ||
| 496 | E | 42.6 | Very low | 51.8 | Low | 141 Ų | 141 | 130.9 Ų | 130.9 | 66% | 0.659 | 71% | 0.713 | S | S | * | * | trans | -54 | 117 | 159.9 | -77.5 | -168.1 | 156.7 | 0 | 0 | 108.7 | P494 R498 | P494-E496 PolarHBondContact O-N 3.06Å; E496-R498 HydrophobicContact CB-CG 4.43Å; E496-R498 PolarHBondContact O-N 3.03Å; E496-R498 IonicContact OE2-CZ 3.6Å; E496-R498 IonicContact OE2-NE 3.78Å; E496-R498 PolarHBondContact OE2-NE 2.86Å; E496-R498 VanDerWaalsContact OE2-NE 3.08Å; E496-R498 IonicContact OE2-NH2 2.59Å; E496-R498 PolarHBondContact OE2-NH2 2.73Å | ||
| 497 | T | 42.4 | Very low | 50.3 | Low | 126 Ų | 126 | 133.6 Ų | 133.6 | 77% | 0.773 | 72% | 0.722 | S | S | * | * | trans | -71.4 | 69.8 | 176.7 | -3 | 0 | 0 | 0 | 0 | 110.8 | S495 H499 | S495-T497 PolarHBondContact O-N 3.46Å; S495-T497 VanDerWaalsContact O-N 3.13Å; T497-H499 PolarHBondContact O-N 3.32Å | ||
| 498 | R | 44.9 | Very low | 48.8 | Very low | 207 Ų | 207 | 132.9 Ų | 132.9 | 78% | 0.781 | 73% | 0.729 | S | S | * | * | trans | -68.9 | 94.8 | 170.1 | -67.9 | -170.2 | -174.8 | -162.9 | 0 | 109 | E496 C500 | E496-R498 HydrophobicContact CB-CG 4.43Å; E496-R498 PolarHBondContact O-N 3.03Å; E496-R498 IonicContact OE2-CZ 3.6Å; E496-R498 IonicContact OE2-NE 3.78Å; E496-R498 PolarHBondContact OE2-NE 2.86Å; E496-R498 VanDerWaalsContact OE2-NE 3.08Å; E496-R498 IonicContact OE2-NH2 2.59Å; E496-R498 PolarHBondContact OE2-NH2 2.73Å; R498-C500 PolarHBondContact O-N 3.43Å | ||
| 499 | H | 41.6 | Very low | 47.3 | Very low | 169 Ų | 169 | 137.3 Ų | 137.3 | 78% | 0.782 | 74% | 0.743 | S | S | * | * | trans | -51.5 | 125.2 | 171.7 | -78.9 | -9.6 | 0 | 0 | 0 | 110.6 | T497 S501 | T497-H499 PolarHBondContact O-N 3.32Å; H499-S501 PolarHBondContact O-N 3.32Å | ||
| 500 | C | 46.6 | Very low | 46.7 | Very low | 80 Ų | 80 | 139.6 Ų | 139.6 | 54% | 0.541 | 75% | 0.749 | S | S | . | * | trans | -67.2 | 103.7 | 174.2 | -177.9 | 0 | 0 | 0 | 0 | 109.7 | R498 Q502 C503 | R498-C500 PolarHBondContact O-N 3.43Å; C500-Q502 PolarHBondContact O-N 2.82Å; C500-C503 PolarHBondContact O-N 3.02Å | ||
| 501 | S | 48.8 | Very low | 46.1 | Very low | 108 Ų | 108 | 139 Ų | 139 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | 2.8 | 179.5 | 53.1 | 0 | 0 | 0 | 0 | 114.5 | H499 | H499-S501 PolarHBondContact O-N 3.32Š|
| 502 | Q | 52.1 | Low | 45.6 | Very low | 174 Ų | 174 | 142.8 Ų | 142.8 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.5 | -9.8 | 173.9 | -63 | -169.1 | -1.1 | 0 | 0 | 114 | C500 T504 | C500-Q502 PolarHBondContact O-N 2.82Å; Q502-T504 VanDerWaalsContact C-N 3.26Å; Q502-T504 PolarHBondContact O-N 3.05Å |
| 503 | C | 49.8 | Very low | 45 | Very low | 109 Ų | 109 | 148.3 Ų | 148.3 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -81.9 | 4.7 | 179.1 | -67 | 0 | 0 | 0 | 0 | 114.5 | C500 | C500-C503 PolarHBondContact O-N 3.02Š|
| 504 | T | 41.8 | Very low | 44.4 | Very low | 109 Ų | 109 | 149.1 Ų | 149.1 | 67% | 0.669 | 78% | 0.78 | S | S | * | * | trans | -124.7 | 79.1 | -177.8 | 45.6 | 0 | 0 | 0 | 0 | 112.6 | Q502 | Q502-T504 VanDerWaalsContact C-N 3.26Å; Q502-T504 PolarHBondContact O-N 3.05Å | ||
| 505 | K | 44.2 | Very low | 44.5 | Very low | 204 Ų | 204 | 152 Ų | 152 | 89% | 0.887 | 78% | 0.78 | S | S | * | * | trans | -159.8 | 135.5 | 159.5 | -108.7 | 146.8 | -168.6 | 176.3 | 0 | 113.1 | ||||
| 506 | K | 43.1 | Very low | 44.6 | Very low | 204 Ų | 204 | 151.8 Ų | 151.8 | 89% | 0.887 | 78% | 0.778 | S | S | * | * | trans | 74.9 | 72.7 | 177.2 | -58.9 | -173.5 | 178.6 | -179.5 | 0 | 117.1 | ||||
| 507 | E | 41.6 | Very low | 44.7 | Very low | 186 Ų | 186 | 151.5 Ų | 151.5 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | trans | -60.8 | 132.2 | 133.7 | -70.5 | -175.8 | 127.7 | 0 | 0 | 109.3 | K509 | E507-K509 PolarHBondContact O-N 2.96Š| ||
| 508 | P | 44.3 | Very low | 45.3 | Very low | 120 Ų | 120 | 155 Ų | 155 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | trans | -78.4 | 114.2 | 165.1 | 30.1 | -29.7 | 0 | 0 | 0 | 109.5 | S510 | P508-S510 PolarHBondContact O-N 2.97Å; P508-S510 VanDerWaalsContact O-N 3.1Å | ||
| 509 | K | 41.6 | Very low | 45.5 | Very low | 193 Ų | 193 | 150.3 Ų | 150.3 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | trans | -53.7 | 114.6 | 176 | -71.1 | 179.9 | 176.1 | -179.8 | 0 | 111.1 | E507 T511 | E507-K509 PolarHBondContact O-N 2.96Å; K509-T511 VanDerWaalsContact C-N 3.3Å; K509-T511 PolarHBondContact O-N 3.21Å | ||
| 510 | S | 43.2 | Very low | 45.6 | Very low | 119 Ų | 119 | 154.9 Ų | 154.9 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | trans | -75.8 | 81.8 | 168.7 | 51.2 | 0 | 0 | 0 | 0 | 110.3 | P508 K512 | P508-S510 PolarHBondContact O-N 2.97Å; P508-S510 VanDerWaalsContact O-N 3.1Å; S510-K512 PolarHBondContact O-N 3.09Å; S510-K512 VanDerWaalsContact O-N 3.16Å | ||
| 511 | T | 41.2 | Very low | 45.6 | Very low | 125 Ų | 125 | 158.6 Ų | 158.6 | 77% | 0.767 | 83% | 0.832 | S | S | * | * | trans | -68 | 114 | 176.3 | -53.1 | 0 | 0 | 0 | 0 | 110 | K509 R513 | K509-T511 VanDerWaalsContact C-N 3.3Å; K509-T511 PolarHBondContact O-N 3.21Å; T511-R513 PolarHBondContact O-N 3.2Å | ||
| 512 | K | 42.6 | Very low | 45.4 | Very low | 192 Ų | 192 | 161.3 Ų | 161.3 | 84% | 0.835 | 84% | 0.836 | S | S | * | * | trans | -52 | 135.1 | 173.3 | -65.9 | 174.4 | 177.9 | 176.4 | 0 | 110.8 | S510 | S510-K512 PolarHBondContact O-N 3.09Å; S510-K512 VanDerWaalsContact O-N 3.16Å | ||
| 513 | R | 40.6 | Very low | 45 | Very low | 222 Ų | 222 | 160.6 Ų | 160.6 | 84% | 0.838 | 84% | 0.837 | S | S | * | * | trans | -135.8 | 74.7 | 156.5 | -151.6 | 176.6 | -163.4 | -174 | 5.9 | 111.3 | T511 K515 | T511-R513 PolarHBondContact O-N 3.2Å; R513-K515 PolarHBondContact O-N 3.29Å | ||
| 514 | S | 42.5 | Very low | 44.8 | Very low | 109 Ų | 109 | 163.6 Ų | 163.6 | 76% | 0.762 | 84% | 0.843 | S | S | * | * | trans | -60.9 | 125.1 | 156.7 | 43.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 515 | K | 52.4 | Low | 44.9 | Very low | 185 Ų | 185 | 167 Ų | 167 | 80% | 0.804 | 85% | 0.854 | S | S | * | * | trans | -120.9 | 105.2 | 157.7 | -98.6 | -164.3 | 167.7 | -161.6 | 0 | 107.7 | R513 | R513-K515 PolarHBondContact O-N 3.29Š| ||
| 516 | S | 48.1 | Very low | 45 | Very low | 105 Ų | 105 | 164.5 Ų | 164.5 | 73% | 0.734 | 85% | 0.851 | S | S | * | * | trans | -74.5 | 141.5 | 161.7 | 47 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 517 | T | 46.2 | Very low | 45.1 | Very low | 135 Ų | 135 | 161.7 Ų | 161.7 | 83% | 0.828 | 85% | 0.849 | S | S | * | * | trans | 7.8 | 125.8 | 146.5 | 53.2 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 518 | E | 53.2 | Low | 45.4 | Very low | 200 Ų | 200 | 159.8 Ų | 159.8 | 94% | 0.935 | 85% | 0.847 | S | S | * | * | trans | -145.5 | 149 | 139.8 | -147.8 | 161.2 | -146.8 | 0 | 0 | 108.6 | ||||
| 519 | S | 50.6 | Low | 45.5 | Very low | 109 Ų | 109 | 163.2 Ų | 163.2 | 76% | 0.762 | 85% | 0.853 | S | S | * | * | trans | -99 | 133.6 | -163.1 | 53.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 520 | M | 43.8 | Very low | 45.9 | Very low | 264 Ų | 264 | 160.5 Ų | 160.5 | 100% | 1.3 | 85% | 0.854 | S | S | * | * | -152.1 | 0 | 128 | -82.1 | -157.2 | 78 | 0 | 0 | 108.7 |
Retrieved 520 of 520 residues in 477 ms
(Link to these results)