| 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 | R | 72.6 | Confident | 86.1 | Confident | 250 Ų | 250 | 127.1 Ų | 127.1 | 94% | 0.943 | 60% | 0.598 | S | S | * | * | 0 | -62.5 | 0 | -157.6 | 169.8 | -174.8 | 166.7 | 0.7 | 111.1 | Q4 L5 | R1-Q4 PolarHBondContact O-N 3.08Å; R1-L5 HydrophobicContact CG-CD1 4.49Å; R1-L5 PolarHBondContact O-N 3.34Å; R1-L5 VanDerWaalsContact O-N 3.12Å | |||
| 2 | L | 80.6 | Confident | 86.6 | Confident | 144 Ų | 144 | 124.1 Ų | 124.1 | 75% | 0.754 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -53.5 | -56 | 177 | -88.1 | 164.3 | 0 | 0 | 0 | 113.8 | Q4 L5 E6 | L2-Q4 PolarHBondContact O-N 3.04Å; L2-L5 WeakPolarHBondContact O-CB 3.47Å; L2-L5 PolarHBondContact O-N 3.4Å; L2-L5 VanDerWaalsContact O-N 3.09Å; L2-E6 PolarHBondContact O-N 3.06Å |
| 3 | E | 82.2 | Confident | 87.1 | Confident | 145 Ų | 145 | 123.2 Ų | 123.2 | 68% | 0.678 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -56.3 | -27.6 | 178.7 | -64 | 177 | 104.9 | 0 | 0 | 114.4 | K7 | E3-K7 WeakPolarHBondContact O-CG 3.33Å; E3-K7 PolarHBondContact O-N 3.47Å |
| 4 | Q | 84 | Confident | 87.6 | Confident | 143 Ų | 143 | 124.6 Ų | 124.6 | 67% | 0.668 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -79.2 | -41.5 | -179.6 | -168.4 | 160.6 | -2.1 | 0 | 0 | 110.5 | R1 L2 E6 K7 E8 | R1-Q4 PolarHBondContact O-N 3.08Å; L2-Q4 PolarHBondContact O-N 3.04Å; Q4-E6 VanDerWaalsContact C-N 3.29Å; Q4-E6 PolarHBondContact O-N 3.34Å; Q4-K7 PolarHBondContact O-N 3.01Å; Q4-E8 VanDerWaalsContact O-CB 3.25Å; Q4-E8 WeakPolarHBondContact O-CB 3.47Å; Q4-E8 PolarHBondContact O-N 3.38Å |
| 5 | L | 84.5 | Confident | 88.1 | Confident | 92 Ų | 92 | 123.5 Ų | 123.5 | 48% | 0.482 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.3 | -35.1 | 168.9 | -67 | 167.5 | 0 | 0 | 0 | 111.7 | R1 L2 N9 | R1-L5 HydrophobicContact CG-CD1 4.49Å; R1-L5 PolarHBondContact O-N 3.34Å; R1-L5 VanDerWaalsContact O-N 3.12Å; L2-L5 WeakPolarHBondContact O-CB 3.47Å; L2-L5 PolarHBondContact O-N 3.4Å; L2-L5 VanDerWaalsContact O-N 3.09Å; L5-N9 WeakPolarHBondContact O-CB 3.36Å; L5-N9 PolarHBondContact O-N 3.33Å |
| 6 | E | 86.6 | Confident | 88.3 | Confident | 102 Ų | 102 | 121.6 Ų | 121.6 | 48% | 0.477 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65.1 | -42.2 | 172.4 | -91.4 | -161.6 | 91.2 | 0 | 0 | 113.1 | L2 Q4 K10 | L2-E6 PolarHBondContact O-N 3.06Å; Q4-E6 VanDerWaalsContact C-N 3.29Å; Q4-E6 PolarHBondContact O-N 3.34Å; E6-K10 WeakPolarHBondContact O-CB 3.36Å; E6-K10 WeakPolarHBondContact O-CD 3.45Å; E6-K10 VanDerWaalsContact O-CG 3.3Å; E6-K10 WeakPolarHBondContact O-CG 3.42Å; E6-K10 PolarHBondContact O-N 3.24Å; E6-K10 IonicContact OE1-NZ 2.63Å; E6-K10 PolarHBondContact OE1-NZ 2.95Å |
| 7 | K | 89.6 | Confident | 88.7 | Confident | 155 Ų | 155 | 117.6 Ų | 117.6 | 67% | 0.674 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -66.4 | -42.1 | 176 | -78 | 175.3 | 177.6 | 175 | 0 | 111.4 | E3 Q4 K10 S11 | E3-K7 WeakPolarHBondContact O-CG 3.33Å; E3-K7 PolarHBondContact O-N 3.47Å; Q4-K7 PolarHBondContact O-N 3.01Å; K7-K10 PolarHBondContact O-N 3.24Å; K7-S11 WeakPolarHBondContact O-CB 3.15Å; K7-S11 PolarHBondContact O-N 3.36Å |
| 8 | E | 90.1 | Very high | 89.1 | Confident | 113 Ų | 113 | 115.6 Ų | 115.6 | 53% | 0.528 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.6 | -46.6 | 176.9 | -167.6 | 162.8 | -139 | 0 | 0 | 110.9 | Q4 K10 S11 L12 | Q4-E8 VanDerWaalsContact O-CB 3.25Å; Q4-E8 WeakPolarHBondContact O-CB 3.47Å; Q4-E8 PolarHBondContact O-N 3.38Å; E8-K10 PolarHBondContact O-N 2.92Å; E8-S11 WeakPolarHBondContact O-CB 3.45Å; E8-S11 PolarHBondContact O-N 3.19Å; E8-S11 VanDerWaalsContact O-N 3.16Å; E8-L12 WeakPolarHBondContact O-CG 3.4Å; E8-L12 PolarHBondContact O-N 3.12Å |
| 9 | N | 91.1 | Very high | 89.4 | Confident | 85 Ų | 85 | 115.1 Ų | 115.1 | 46% | 0.455 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.1 | -42.4 | 174.8 | -169.3 | 78.2 | 0 | 0 | 0 | 112.5 | L5 S11 L12 E13 | L5-N9 WeakPolarHBondContact O-CB 3.36Å; L5-N9 PolarHBondContact O-N 3.33Å; N9-S11 VanDerWaalsContact C-N 3.28Å; N9-S11 PolarHBondContact O-N 3.48Å; N9-L12 PolarHBondContact O-N 3.43Å; N9-E13 PolarHBondContact ND2-OE1 3.25Å; N9-E13 WeakPolarHBondContact O-CB 3.39Å; N9-E13 WeakPolarHBondContact O-CG 3.48Å; N9-E13 PolarHBondContact O-N 2.83Å |
| 10 | K | 92.6 | Very high | 89.7 | Confident | 101 Ų | 101 | 114.4 Ų | 114.4 | 44% | 0.439 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.9 | -32.4 | 174.1 | -76.4 | 165 | -176.3 | 151.6 | 0 | 112.4 | E6 K7 E8 Q14 | E6-K10 WeakPolarHBondContact O-CB 3.36Å; E6-K10 WeakPolarHBondContact O-CD 3.45Å; E6-K10 VanDerWaalsContact O-CG 3.3Å; E6-K10 WeakPolarHBondContact O-CG 3.42Å; E6-K10 PolarHBondContact O-N 3.24Å; E6-K10 IonicContact OE1-NZ 2.63Å; E6-K10 PolarHBondContact OE1-NZ 2.95Å; K7-K10 PolarHBondContact O-N 3.24Å; E8-K10 PolarHBondContact O-N 2.92Å; K10-Q14 VanDerWaalsContact O-CG 3.31Å; K10-Q14 WeakPolarHBondContact O-CG 3.43Å; K10-Q14 PolarHBondContact O-N 2.64Å |
| 11 | S | 93 | Very high | 90 | Very high | 68 Ų | 68 | 114 Ų | 114 | 48% | 0.476 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.6 | -46.6 | 172.3 | -164.2 | 0 | 0 | 0 | 0 | 111.1 | K7 E8 N9 E13 Q14 E15 | K7-S11 WeakPolarHBondContact O-CB 3.15Å; K7-S11 PolarHBondContact O-N 3.36Å; E8-S11 WeakPolarHBondContact O-CB 3.45Å; E8-S11 PolarHBondContact O-N 3.19Å; E8-S11 VanDerWaalsContact O-N 3.16Å; N9-S11 VanDerWaalsContact C-N 3.28Å; N9-S11 PolarHBondContact O-N 3.48Å; S11-E13 PolarHBondContact O-N 3.28Å; S11-Q14 PolarHBondContact O-N 3.01Å; S11-E15 WeakPolarHBondContact O-CB 3.35Å; S11-E15 PolarHBondContact O-N 3.33Å |
| 12 | L | 92.3 | Very high | 91.2 | Very high | 91 Ų | 91 | 105.1 Ų | 105.1 | 48% | 0.476 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.6 | -36.1 | 177.7 | -68.8 | 168.4 | 0 | 0 | 0 | 112.4 | E8 N9 T16 | E8-L12 WeakPolarHBondContact O-CG 3.4Å; E8-L12 PolarHBondContact O-N 3.12Å; N9-L12 PolarHBondContact O-N 3.43Å; L12-T16 WeakPolarHBondContact O-CB 3.36Å; L12-T16 PolarHBondContact O-N 3.5Å; L12-T16 PolarHBondContact O-OG1 3.48Å |
| 13 | E | 92.6 | Very high | 91.9 | Very high | 112 Ų | 112 | 104.2 Ų | 104.2 | 52% | 0.523 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.8 | -42.6 | 172.7 | -76.5 | 170.1 | 176.5 | 0 | 0 | 111.8 | N9 S11 S17 | N9-E13 PolarHBondContact ND2-OE1 3.25Å; N9-E13 WeakPolarHBondContact O-CB 3.39Å; N9-E13 WeakPolarHBondContact O-CG 3.48Å; N9-E13 PolarHBondContact O-N 2.83Å; S11-E13 PolarHBondContact O-N 3.28Å; E13-S17 VanDerWaalsContact O-CB 3.31Å; E13-S17 WeakPolarHBondContact O-CB 3.34Å; E13-S17 PolarHBondContact O-N 2.84Å |
| 14 | Q | 94.2 | Very high | 92.6 | Very high | 143 Ų | 143 | 101.7 Ų | 101.7 | 67% | 0.668 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -67.6 | -43.8 | 176.2 | -73.2 | 177.3 | 14.9 | 0 | 0 | 112.1 | K10 S11 S17 Q18 | K10-Q14 VanDerWaalsContact O-CG 3.31Å; K10-Q14 WeakPolarHBondContact O-CG 3.43Å; K10-Q14 PolarHBondContact O-N 2.64Å; S11-Q14 PolarHBondContact O-N 3.01Å; Q14-S17 PolarHBondContact O-N 2.63Å; Q14-Q18 WeakPolarHBondContact O-CB 3.47Å; Q14-Q18 PolarHBondContact O-N 2.89Å |
| 15 | E | 94.9 | Very high | 93.2 | Very high | 109 Ų | 109 | 101 Ų | 101 | 51% | 0.509 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63 | -45.8 | 176 | -174.8 | 172.2 | -168.3 | 0 | 0 | 111.2 | S11 S17 Q18 L19 | S11-E15 WeakPolarHBondContact O-CB 3.35Å; S11-E15 PolarHBondContact O-N 3.33Å; E15-S17 VanDerWaalsContact C-N 3.35Å; E15-S17 PolarHBondContact O-N 3.47Å; E15-Q18 PolarHBondContact O-N 3.18Å; E15-Q18 VanDerWaalsContact O-N 3.1Å; E15-L19 HydrophobicContact CG-CD1 4.08Å; E15-L19 HydrophobicContact CG-CG 4.47Å; E15-L19 WeakPolarHBondContact O-CB 3.46Å; E15-L19 WeakPolarHBondContact O-CG 3.47Å; E15-L19 PolarHBondContact O-N 2.82Å |
| 16 | T | 92.6 | Very high | 93.8 | Very high | 92 Ų | 92 | 101.9 Ų | 101.9 | 56% | 0.564 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -59.8 | -44.4 | 174.4 | -58 | 0 | 0 | 0 | 0 | 111.2 | L12 Q18 L19 E20 | L12-T16 WeakPolarHBondContact O-CB 3.36Å; L12-T16 PolarHBondContact O-N 3.5Å; L12-T16 PolarHBondContact O-OG1 3.48Å; T16-Q18 VanDerWaalsContact C-N 3.27Å; T16-Q18 PolarHBondContact O-N 3.39Å; T16-L19 PolarHBondContact O-N 3.3Å; T16-E20 WeakPolarHBondContact O-CB 3.49Å; T16-E20 PolarHBondContact O-N 3.16Å |
| 17 | S | 94.6 | Very high | 94.2 | Very high | 54 Ų | 54 | 102 Ų | 102 | 38% | 0.378 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.1 | -33 | 175.8 | -175.7 | 0 | 0 | 0 | 0 | 112.6 | E13 Q14 E15 K21 | E13-S17 VanDerWaalsContact O-CB 3.31Å; E13-S17 WeakPolarHBondContact O-CB 3.34Å; E13-S17 PolarHBondContact O-N 2.84Å; Q14-S17 PolarHBondContact O-N 2.63Å; E15-S17 VanDerWaalsContact C-N 3.35Å; E15-S17 PolarHBondContact O-N 3.47Å; S17-K21 WeakPolarHBondContact O-CD 3.41Å; S17-K21 VanDerWaalsContact O-CE 3.26Å; S17-K21 WeakPolarHBondContact O-CE 3.24Å; S17-K21 VanDerWaalsContact O-CG 3.31Å; S17-K21 WeakPolarHBondContact O-CG 3.5Å; S17-K21 PolarHBondContact O-N 3.45Å |
| 18 | Q | 95.8 | Very high | 94.6 | Very high | 82 Ų | 82 | 102.1 Ų | 102.1 | 38% | 0.383 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -74.6 | -49.8 | 177 | -172.8 | 51.7 | 38.8 | 0 | 0 | 111.5 | Q14 E15 T16 E20 K21 D22 | Q14-Q18 WeakPolarHBondContact O-CB 3.47Å; Q14-Q18 PolarHBondContact O-N 2.89Å; E15-Q18 PolarHBondContact O-N 3.18Å; E15-Q18 VanDerWaalsContact O-N 3.1Å; T16-Q18 VanDerWaalsContact C-N 3.27Å; T16-Q18 PolarHBondContact O-N 3.39Å; Q18-E20 PolarHBondContact O-N 3.24Å; Q18-K21 WeakPolarHBondContact O-CB 3.26Å; Q18-K21 PolarHBondContact O-N 2.98Å; Q18-D22 WeakPolarHBondContact CG-OD2 3.5Å; Q18-D22 PolarHBondContact NE2-OD1 3.14Å; Q18-D22 PolarHBondContact NE2-OD2 3.46Å; Q18-D22 PolarHBondContact O-N 3.38Å |
| 19 | L | 95.1 | Very high | 94.9 | Very high | 106 Ų | 106 | 101 Ų | 101 | 56% | 0.555 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -55.2 | -35.9 | 174 | -70.2 | 170.6 | 0 | 0 | 0 | 112.3 | E15 T16 K23 | E15-L19 HydrophobicContact CG-CD1 4.08Å; E15-L19 HydrophobicContact CG-CG 4.47Å; E15-L19 WeakPolarHBondContact O-CB 3.46Å; E15-L19 WeakPolarHBondContact O-CG 3.47Å; E15-L19 PolarHBondContact O-N 2.82Å; T16-L19 PolarHBondContact O-N 3.3Å; L19-K23 WeakPolarHBondContact O-CB 3.33Å; L19-K23 PolarHBondContact O-N 2.86Å |
| 20 | E | 95 | Very high | 95.2 | Very high | 101 Ų | 101 | 100.7 Ų | 100.7 | 47% | 0.472 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -70.8 | -33 | 176.6 | -149.5 | -150.8 | 176.1 | 0 | 0 | 113 | T16 Q18 K24 | T16-E20 WeakPolarHBondContact O-CB 3.49Å; T16-E20 PolarHBondContact O-N 3.16Å; Q18-E20 PolarHBondContact O-N 3.24Å; E20-K24 WeakPolarHBondContact O-CB 3.45Å; E20-K24 WeakPolarHBondContact O-CD 3.21Å; E20-K24 WeakPolarHBondContact O-CG 3.5Å; E20-K24 PolarHBondContact O-N 2.87Å; E20-K24 VanDerWaalsContact O-N 3.13Å; E20-K24 WeakPolarHBondContact OE1-CE 3.41Å; E20-K24 IonicContact OE1-NZ 2.78Å; E20-K24 PolarHBondContact OE1-NZ 2.97Å; E20-K24 IonicContact OE2-NZ 3.73Å; E20-K24 PolarHBondContact OE2-NZ 3.34Å |
| 21 | K | 96.6 | Very high | 95.4 | Very high | 107 Ų | 107 | 102.4 Ų | 102.4 | 47% | 0.465 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.5 | -46.3 | 171.8 | -65.5 | 161 | -155.2 | 153.3 | 0 | 110.7 | S17 Q18 K23 K24 Q25 | S17-K21 WeakPolarHBondContact O-CD 3.41Å; S17-K21 VanDerWaalsContact O-CE 3.26Å; S17-K21 WeakPolarHBondContact O-CE 3.24Å; S17-K21 VanDerWaalsContact O-CG 3.31Å; S17-K21 WeakPolarHBondContact O-CG 3.5Å; S17-K21 PolarHBondContact O-N 3.45Å; Q18-K21 WeakPolarHBondContact O-CB 3.26Å; Q18-K21 PolarHBondContact O-N 2.98Å; K21-K23 VanDerWaalsContact C-N 3.35Å; K21-K23 PolarHBondContact O-N 3.25Å; K21-K24 CarbonylContact O-C 3.6Å; K21-K24 PolarHBondContact O-N 2.89Å; K21-K24 VanDerWaalsContact O-N 3.1Å; K21-Q25 PolarHBondContact O-N 3.42Å |
| 22 | D | 96.3 | Very high | 95.6 | Very high | 63 Ų | 63 | 106.5 Ų | 106.5 | 34% | 0.337 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.8 | -40.4 | -177.4 | -64.1 | -29.4 | 0 | 0 | 0 | 110.6 | Q18 Q25 L26 | Q18-D22 WeakPolarHBondContact CG-OD2 3.5Å; Q18-D22 PolarHBondContact NE2-OD1 3.14Å; Q18-D22 PolarHBondContact NE2-OD2 3.46Å; Q18-D22 PolarHBondContact O-N 3.38Å; D22-Q25 PolarHBondContact O-N 2.89Å; D22-L26 WeakPolarHBondContact O-CB 3.3Å; D22-L26 WeakPolarHBondContact O-CG 3.46Å; D22-L26 PolarHBondContact O-N 2.9Å |
| 23 | K | 96.6 | Very high | 95.8 | Very high | 124 Ų | 124 | 106 Ų | 106 | 54% | 0.539 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -55.4 | -51.3 | 167.1 | 176.9 | 177.5 | 170.7 | 179.8 | 0 | 111.9 | L19 K21 Q25 L26 E27 | L19-K23 WeakPolarHBondContact O-CB 3.33Å; L19-K23 PolarHBondContact O-N 2.86Å; K21-K23 VanDerWaalsContact C-N 3.35Å; K21-K23 PolarHBondContact O-N 3.25Å; K23-Q25 PolarHBondContact O-N 3.5Å; K23-L26 PolarHBondContact O-N 3.31Å; K23-E27 WeakPolarHBondContact CE-OE1 3.39Å; K23-E27 HydrophobicContact CG-CG 4.37Å; K23-E27 IonicContact NZ-OE1 2.66Å; K23-E27 WeakPolarHBondContact O-CB 3.43Å; K23-E27 VanDerWaalsContact O-CG 3.31Å; K23-E27 WeakPolarHBondContact O-CG 3.5Å; K23-E27 PolarHBondContact O-N 3.34Å |
| 24 | K | 97.1 | Very high | 96 | Very high | 92 Ų | 92 | 109 Ų | 109 | 40% | 0.4 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.7 | -22.9 | 178.8 | -73.3 | 166 | -172.7 | 168.3 | 0 | 113.2 | E20 K21 K28 | E20-K24 WeakPolarHBondContact O-CB 3.45Å; E20-K24 WeakPolarHBondContact O-CD 3.21Å; E20-K24 WeakPolarHBondContact O-CG 3.5Å; E20-K24 PolarHBondContact O-N 2.87Å; E20-K24 VanDerWaalsContact O-N 3.13Å; E20-K24 WeakPolarHBondContact OE1-CE 3.41Å; E20-K24 IonicContact OE1-NZ 2.78Å; E20-K24 PolarHBondContact OE1-NZ 2.97Å; E20-K24 IonicContact OE2-NZ 3.73Å; E20-K24 PolarHBondContact OE2-NZ 3.34Å; K21-K24 CarbonylContact O-C 3.6Å; K21-K24 PolarHBondContact O-N 2.89Å; K21-K24 VanDerWaalsContact O-N 3.1Å; K24-K28 WeakPolarHBondContact O-CD 3.47Å; K24-K28 VanDerWaalsContact O-CG 3.28Å; K24-K28 WeakPolarHBondContact O-CG 3.48Å |
| 25 | Q | 96.7 | Very high | 96.2 | Very high | 128 Ų | 128 | 107 Ų | 107 | 60% | 0.598 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -78.8 | -49.1 | 172 | -179.1 | 165.4 | -43.3 | 0 | 0 | 111.1 | K21 D22 K23 E27 K28 E29 | K21-Q25 PolarHBondContact O-N 3.42Å; D22-Q25 PolarHBondContact O-N 2.89Å; K23-Q25 PolarHBondContact O-N 3.5Å; Q25-E27 VanDerWaalsContact C-N 3.31Å; Q25-E27 PolarHBondContact O-N 3.18Å; Q25-K28 WeakPolarHBondContact O-CB 3.32Å; Q25-K28 PolarHBondContact O-N 2.88Å; Q25-K28 VanDerWaalsContact O-N 3.15Å; Q25-E29 PolarHBondContact O-N 3.16Å |
| 26 | L | 96.1 | Very high | 96.3 | Very high | 112 Ų | 112 | 106 Ų | 106 | 59% | 0.586 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.5 | -37.6 | 176.4 | -70.7 | 169.6 | 0 | 0 | 0 | 112.2 | D22 K23 E29 N30 | D22-L26 WeakPolarHBondContact O-CB 3.3Å; D22-L26 WeakPolarHBondContact O-CG 3.46Å; D22-L26 PolarHBondContact O-N 2.9Å; K23-L26 PolarHBondContact O-N 3.31Å; L26-E29 PolarHBondContact O-N 2.94Å; L26-N30 VanDerWaalsContact O-CB 3.23Å; L26-N30 WeakPolarHBondContact O-CB 3.38Å; L26-N30 PolarHBondContact O-N 3.03Å |
| 27 | E | 96.1 | Very high | 96.4 | Very high | 105 Ų | 105 | 103.7 Ų | 103.7 | 49% | 0.491 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.5 | -41.7 | 174.4 | -76.5 | 172.4 | 169.1 | 0 | 0 | 112.3 | K23 Q25 K31 | K23-E27 WeakPolarHBondContact CE-OE1 3.39Å; K23-E27 HydrophobicContact CG-CG 4.37Å; K23-E27 IonicContact NZ-OE1 2.66Å; K23-E27 WeakPolarHBondContact O-CB 3.43Å; K23-E27 VanDerWaalsContact O-CG 3.31Å; K23-E27 WeakPolarHBondContact O-CG 3.5Å; K23-E27 PolarHBondContact O-N 3.34Å; Q25-E27 VanDerWaalsContact C-N 3.31Å; Q25-E27 PolarHBondContact O-N 3.18Å; E27-K31 WeakPolarHBondContact O-CB 3.49Å; E27-K31 PolarHBondContact O-N 3.5Å |
| 28 | K | 97.7 | Very high | 96.5 | Very high | 156 Ų | 156 | 107.2 Ų | 107.2 | 68% | 0.678 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.6 | -42.8 | 175.1 | -71.6 | 169.4 | -174.8 | 175.5 | 0 | 111.6 | K24 Q25 K31 R32 | K24-K28 WeakPolarHBondContact O-CD 3.47Å; K24-K28 VanDerWaalsContact O-CG 3.28Å; K24-K28 WeakPolarHBondContact O-CG 3.48Å; Q25-K28 WeakPolarHBondContact O-CB 3.32Å; Q25-K28 PolarHBondContact O-N 2.88Å; Q25-K28 VanDerWaalsContact O-N 3.15Å; K28-K31 PolarHBondContact O-N 3.38Å; K28-R32 PolarHBondContact O-N 2.92Å |
| 29 | E | 96.7 | Very high | 96.6 | Very high | 90 Ų | 90 | 108.5 Ų | 108.5 | 42% | 0.421 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.5 | -45.1 | 178 | -178.2 | 162.6 | -155.7 | 0 | 0 | 111.7 | Q25 L26 K31 R32 L33 | Q25-E29 PolarHBondContact O-N 3.16Å; L26-E29 PolarHBondContact O-N 2.94Å; E29-K31 VanDerWaalsContact C-N 3.3Å; E29-K31 PolarHBondContact O-N 3.26Å; E29-R32 PolarHBondContact O-N 2.86Å; E29-R32 VanDerWaalsContact O-N 3.1Å; E29-L33 HydrophobicContact CG-CD1 3.94Å; E29-L33 HydrophobicContact CG-CG 4.32Å; E29-L33 WeakPolarHBondContact O-CB 3.25Å; E29-L33 WeakPolarHBondContact O-CG 3.2Å; E29-L33 PolarHBondContact O-N 3.12Å |
| 30 | N | 95.5 | Very high | 96.7 | Very high | 78 Ų | 78 | 109.1 Ų | 109.1 | 42% | 0.417 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.5 | -40.4 | 175.9 | -157.5 | -90.1 | 0 | 0 | 0 | 111.1 | L26 L33 R34 | L26-N30 VanDerWaalsContact O-CB 3.23Å; L26-N30 WeakPolarHBondContact O-CB 3.38Å; L26-N30 PolarHBondContact O-N 3.03Å; N30-L33 PolarHBondContact O-N 3.09Å; N30-R34 VanDerWaalsContact O-CG 3.3Å; N30-R34 WeakPolarHBondContact O-CG 3.07Å; N30-R34 PolarHBondContact O-N 3.12Å; N30-R34 PolarHBondContact OD1-NE 3.13Å; N30-R34 PolarHBondContact OD1-NH2 3.03Å |
| 31 | K | 97.7 | Very high | 96.7 | Very high | 137 Ų | 137 | 109 Ų | 109 | 60% | 0.596 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.6 | -44.3 | 172.5 | -174.7 | 172.8 | 180 | 175.5 | 0 | 112.2 | E27 K28 E29 R34 Q35 | E27-K31 WeakPolarHBondContact O-CB 3.49Å; E27-K31 PolarHBondContact O-N 3.5Å; K28-K31 PolarHBondContact O-N 3.38Å; E29-K31 VanDerWaalsContact C-N 3.3Å; E29-K31 PolarHBondContact O-N 3.26Å; K31-R34 PolarHBondContact O-N 3.02Å; K31-Q35 WeakPolarHBondContact O-CG 3.5Å; K31-Q35 PolarHBondContact O-N 3.05Å; K31-Q35 VanDerWaalsContact O-N 3.09Å |
| 32 | R | 97.8 | Very high | 96.8 | Very high | 154 Ų | 154 | 107.6 Ų | 107.6 | 58% | 0.581 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.4 | -42.8 | 176.7 | -165.4 | -172.1 | 77.5 | 157.1 | 0.8 | 111.8 | K28 E29 Q35 Q36 | K28-R32 PolarHBondContact O-N 2.92Å; E29-R32 PolarHBondContact O-N 2.86Å; E29-R32 VanDerWaalsContact O-N 3.1Å; R32-Q35 PolarHBondContact O-N 2.97Å; R32-Q36 WeakPolarHBondContact O-CB 3.48Å; R32-Q36 PolarHBondContact O-N 3.42Å |
| 33 | L | 96.3 | Very high | 96.8 | Very high | 81 Ų | 81 | 107.7 Ų | 107.7 | 42% | 0.424 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.2 | -39.7 | 178.9 | -71.5 | 171.3 | 0 | 0 | 0 | 112 | E29 N30 Q36 A37 | E29-L33 HydrophobicContact CG-CD1 3.94Å; E29-L33 HydrophobicContact CG-CG 4.32Å; E29-L33 WeakPolarHBondContact O-CB 3.25Å; E29-L33 WeakPolarHBondContact O-CG 3.2Å; E29-L33 PolarHBondContact O-N 3.12Å; N30-L33 PolarHBondContact O-N 3.09Å; L33-Q36 PolarHBondContact O-N 3.48Å; L33-A37 PolarHBondContact O-N 3.23Å |
| 34 | R | 96.9 | Very high | 96.8 | Very high | 174 Ų | 174 | 106.6 Ų | 106.6 | 66% | 0.657 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.9 | -50.4 | 172.4 | -73.1 | 173.8 | -165.6 | -126.6 | 2 | 111.8 | N30 K31 Q36 A37 E38 | N30-R34 VanDerWaalsContact O-CG 3.3Å; N30-R34 WeakPolarHBondContact O-CG 3.07Å; N30-R34 PolarHBondContact O-N 3.12Å; N30-R34 PolarHBondContact OD1-NE 3.13Å; N30-R34 PolarHBondContact OD1-NH2 3.03Å; K31-R34 PolarHBondContact O-N 3.02Å; R34-Q36 VanDerWaalsContact C-N 3.26Å; R34-Q36 PolarHBondContact O-N 3.45Å; R34-A37 WeakPolarHBondContact O-CB 3.37Å; R34-A37 PolarHBondContact O-N 2.89Å; R34-A37 VanDerWaalsContact O-N 3.12Å; R34-E38 WeakPolarHBondContact O-CB 3.39Å; R34-E38 PolarHBondContact O-N 3.4Å |
| 35 | Q | 97.1 | Very high | 96.8 | Very high | 101 Ų | 101 | 107.7 Ų | 107.7 | 47% | 0.472 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.3 | -35.4 | 177.1 | -68.7 | -179.5 | -54.5 | 0 | 0 | 112 | K31 R32 I39 | K31-Q35 WeakPolarHBondContact O-CG 3.5Å; K31-Q35 PolarHBondContact O-N 3.05Å; K31-Q35 VanDerWaalsContact O-N 3.09Å; R32-Q35 PolarHBondContact O-N 2.97Å; Q35-I39 WeakPolarHBondContact O-CB 3.41Å; Q35-I39 WeakPolarHBondContact O-CD1 3.48Å; Q35-I39 VanDerWaalsContact O-CG1 3.23Å; Q35-I39 WeakPolarHBondContact O-CG1 3.35Å; Q35-I39 PolarHBondContact O-N 3.36Å; Q35-I39 VanDerWaalsContact O-N 3.09Å |
| 36 | Q | 97.1 | Very high | 96.8 | Very high | 88 Ų | 88 | 108.1 Ų | 108.1 | 41% | 0.411 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -72.5 | -30.2 | 176 | -168.1 | 178.5 | 19.5 | 0 | 0 | 113.2 | R32 L33 R34 K40 | R32-Q36 WeakPolarHBondContact O-CB 3.48Å; R32-Q36 PolarHBondContact O-N 3.42Å; L33-Q36 PolarHBondContact O-N 3.48Å; R34-Q36 VanDerWaalsContact C-N 3.26Å; R34-Q36 PolarHBondContact O-N 3.45Å; Q36-K40 WeakPolarHBondContact O-CD 3.3Å; Q36-K40 VanDerWaalsContact O-CG 3.25Å; Q36-K40 WeakPolarHBondContact O-CG 3.36Å; Q36-K40 PolarHBondContact O-N 3.44Å |
| 37 | A | 95.8 | Very high | 96.8 | Very high | 44 Ų | 44 | 106.5 Ų | 106.5 | 36% | 0.364 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -69.8 | -52.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | L33 R34 I39 K40 D41 | L33-A37 PolarHBondContact O-N 3.23Å; R34-A37 WeakPolarHBondContact O-CB 3.37Å; R34-A37 PolarHBondContact O-N 2.89Å; R34-A37 VanDerWaalsContact O-N 3.12Å; A37-I39 VanDerWaalsContact C-N 3.31Å; A37-I39 PolarHBondContact O-N 2.86Å; A37-K40 CarbonylContact O-C 3.52Å; A37-K40 WeakPolarHBondContact O-CA 3.34Å; A37-K40 WeakPolarHBondContact O-CB 3.37Å; A37-K40 PolarHBondContact O-N 2.91Å; A37-D41 VanDerWaalsContact O-CG 3.23Å; A37-D41 PolarHBondContact O-N 2.87Å |
| 38 | E | 96.8 | Very high | 96.8 | Very high | 128 Ų | 128 | 105.6 Ų | 105.6 | 60% | 0.598 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -53.4 | -44.3 | 179.6 | -168.6 | 169.2 | -145.6 | 0 | 0 | 112.4 | R34 D41 T42 | R34-E38 WeakPolarHBondContact O-CB 3.39Å; R34-E38 PolarHBondContact O-N 3.4Å; E38-D41 PolarHBondContact O-N 2.89Å; E38-T42 PolarHBondContact O-N 3.32Å; E38-T42 VanDerWaalsContact O-N 3.08Å; E38-T42 PolarHBondContact O-OG1 3.02Å |
| 39 | I | 97 | Very high | 96.8 | Very high | 109 Ų | 109 | 102.1 Ų | 102.1 | 56% | 0.559 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.3 | -36.1 | 174.1 | -68.3 | 165.6 | 0 | 0 | 0 | 112.6 | Q35 A37 T42 T43 | Q35-I39 WeakPolarHBondContact O-CB 3.41Å; Q35-I39 WeakPolarHBondContact O-CD1 3.48Å; Q35-I39 VanDerWaalsContact O-CG1 3.23Å; Q35-I39 WeakPolarHBondContact O-CG1 3.35Å; Q35-I39 PolarHBondContact O-N 3.36Å; Q35-I39 VanDerWaalsContact O-N 3.09Å; A37-I39 VanDerWaalsContact C-N 3.31Å; A37-I39 PolarHBondContact O-N 2.86Å; I39-T42 PolarHBondContact O-OG1 2.85Å; I39-T42 VanDerWaalsContact O-OG1 3.07Å; I39-T43 WeakPolarHBondContact O-CB 3.2Å; I39-T43 PolarHBondContact O-N 3Å; I39-T43 VanDerWaalsContact O-N 3.07Å; I39-T43 PolarHBondContact O-OG1 3.29Å |
| 40 | K | 97.3 | Very high | 96.9 | Very high | 119 Ų | 119 | 104.2 Ų | 104.2 | 52% | 0.517 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.9 | -40.2 | 175.5 | -77.9 | 172.1 | 177.8 | -178 | 0 | 111.1 | Q36 A37 T43 L44 | Q36-K40 WeakPolarHBondContact O-CD 3.3Å; Q36-K40 VanDerWaalsContact O-CG 3.25Å; Q36-K40 WeakPolarHBondContact O-CG 3.36Å; Q36-K40 PolarHBondContact O-N 3.44Å; A37-K40 CarbonylContact O-C 3.52Å; A37-K40 WeakPolarHBondContact O-CA 3.34Å; A37-K40 WeakPolarHBondContact O-CB 3.37Å; A37-K40 PolarHBondContact O-N 2.91Å; K40-T43 CarbonylContact O-C 3.55Å; K40-T43 PolarHBondContact O-N 2.86Å; K40-L44 WeakPolarHBondContact O-CB 3.35Å; K40-L44 VanDerWaalsContact O-CG 3.31Å; K40-L44 WeakPolarHBondContact O-CG 3.48Å; K40-L44 PolarHBondContact O-N 3.01Å |
| 41 | D | 96.5 | Very high | 96.9 | Very high | 100 Ų | 100 | 104.6 Ų | 104.6 | 54% | 0.535 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.9 | -43.9 | -178.8 | -60.9 | -26.9 | 0 | 0 | 0 | 110.5 | A37 E38 T43 L44 E45 | A37-D41 VanDerWaalsContact O-CG 3.23Å; A37-D41 PolarHBondContact O-N 2.87Å; E38-D41 PolarHBondContact O-N 2.89Å; D41-T43 PolarHBondContact O-N 2.87Å; D41-L44 PolarHBondContact O-N 3.47Å; D41-E45 PolarHBondContact O-N 3.26Å |
| 42 | T | 96.8 | Very high | 96.9 | Very high | 77 Ų | 77 | 99 Ų | 99 | 47% | 0.472 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.5 | -40.3 | 171.8 | 60.5 | 0 | 0 | 0 | 0 | 112.3 | E38 I39 L44 E45 E46 | E38-T42 PolarHBondContact O-N 3.32Å; E38-T42 VanDerWaalsContact O-N 3.08Å; E38-T42 PolarHBondContact O-OG1 3.02Å; I39-T42 PolarHBondContact O-OG1 2.85Å; I39-T42 VanDerWaalsContact O-OG1 3.07Å; T42-L44 VanDerWaalsContact C-N 3.34Å; T42-L44 PolarHBondContact O-N 3.12Å; T42-E45 PolarHBondContact O-N 3.03Å; T42-E46 WeakPolarHBondContact O-CG 3.48Å; T42-E46 PolarHBondContact O-N 3.45Å |
| 43 | T | 96.9 | Very high | 96.8 | Very high | 64 Ų | 64 | 95.5 Ų | 95.5 | 39% | 0.393 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.4 | -36.8 | 177.6 | -55.8 | 0 | 0 | 0 | 0 | 111.8 | I39 K40 D41 N47 | I39-T43 WeakPolarHBondContact O-CB 3.2Å; I39-T43 PolarHBondContact O-N 3Å; I39-T43 VanDerWaalsContact O-N 3.07Å; I39-T43 PolarHBondContact O-OG1 3.29Å; K40-T43 CarbonylContact O-C 3.55Å; K40-T43 PolarHBondContact O-N 2.86Å; D41-T43 PolarHBondContact O-N 2.87Å; T43-N47 PolarHBondContact O-N 3.17Å; T43-N47 PolarHBondContact O-ND2 3.4Å |
| 44 | L | 96.6 | Very high | 96.8 | Very high | 101 Ų | 101 | 95.7 Ų | 95.7 | 53% | 0.529 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.3 | -43 | 174.8 | -76.5 | 168.4 | 0 | 0 | 0 | 110.6 | K40 D41 T42 N47 N48 | K40-L44 WeakPolarHBondContact O-CB 3.35Å; K40-L44 VanDerWaalsContact O-CG 3.31Å; K40-L44 WeakPolarHBondContact O-CG 3.48Å; K40-L44 PolarHBondContact O-N 3.01Å; D41-L44 PolarHBondContact O-N 3.47Å; T42-L44 VanDerWaalsContact C-N 3.34Å; T42-L44 PolarHBondContact O-N 3.12Å; L44-N47 CarbonylContact O-C 3.53Å; L44-N47 PolarHBondContact O-N 3.49Å; L44-N47 VanDerWaalsContact O-N 3.16Å; L44-N48 PolarHBondContact O-N 2.78Å; L44-N48 PolarHBondContact O-ND2 3.49Å; L44-N48 PolarHBondContact O-OD1 2.86Å |
| 45 | E | 97 | Very high | 96.7 | Very high | 115 Ų | 115 | 93.3 Ų | 93.3 | 54% | 0.537 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.3 | -39.8 | 179.7 | -165.1 | 64 | 178.8 | 0 | 0 | 112.9 | D41 T42 N47 N48 V49 | D41-E45 PolarHBondContact O-N 3.26Å; T42-E45 PolarHBondContact O-N 3.03Å; E45-N47 VanDerWaalsContact C-N 3.29Å; E45-N47 PolarHBondContact O-N 2.9Å; E45-N48 PolarHBondContact O-N 2.75Å; E45-N48 PolarHBondContact OE2-ND2 3.42Å; E45-V49 WeakPolarHBondContact O-CG2 3.47Å; E45-V49 PolarHBondContact O-N 3.18Å |
| 46 | E | 97.2 | Very high | 96.7 | Very high | 138 Ų | 138 | 94.7 Ų | 94.7 | 65% | 0.645 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -57.9 | -40.7 | 170 | -75 | 177.8 | -171.9 | 0 | 0 | 112.3 | T42 K50 | T42-E46 WeakPolarHBondContact O-CG 3.48Å; T42-E46 PolarHBondContact O-N 3.45Å; E46-K50 WeakPolarHBondContact O-CB 3.38Å; E46-K50 PolarHBondContact O-N 3.45Å |
| 47 | N | 96.4 | Very high | 96.7 | Very high | 77 Ų | 77 | 95.7 Ų | 95.7 | 41% | 0.412 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -70.7 | -39.1 | 176.3 | -78.5 | -67.3 | 0 | 0 | 0 | 112.3 | T43 L44 E45 V49 K50 I51 | T43-N47 PolarHBondContact O-N 3.17Å; T43-N47 PolarHBondContact O-ND2 3.4Å; L44-N47 CarbonylContact O-C 3.53Å; L44-N47 PolarHBondContact O-N 3.49Å; L44-N47 VanDerWaalsContact O-N 3.16Å; E45-N47 VanDerWaalsContact C-N 3.29Å; E45-N47 PolarHBondContact O-N 2.9Å; N47-V49 PolarHBondContact O-N 3.23Å; N47-K50 PolarHBondContact O-N 2.92Å; N47-I51 VanDerWaalsContact O-CG1 3.27Å; N47-I51 WeakPolarHBondContact O-CG1 3.34Å; N47-I51 PolarHBondContact O-N 3.17Å |
| 48 | N | 95.9 | Very high | 96.5 | Very high | 86 Ų | 86 | 98.7 Ų | 98.7 | 46% | 0.46 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.5 | -48 | 174.4 | -68.1 | -24 | 0 | 0 | 0 | 111 | L44 E45 K50 I51 G52 | L44-N48 PolarHBondContact O-N 2.78Å; L44-N48 PolarHBondContact O-ND2 3.49Å; L44-N48 PolarHBondContact O-OD1 2.86Å; E45-N48 PolarHBondContact O-N 2.75Å; E45-N48 PolarHBondContact OE2-ND2 3.42Å; N48-K50 VanDerWaalsContact C-N 3.32Å; N48-K50 PolarHBondContact O-N 2.86Å; N48-I51 PolarHBondContact O-N 3.05Å; N48-G52 PolarHBondContact O-N 3.12Å |
| 49 | V | 97.5 | Very high | 96.5 | Very high | 83 Ų | 83 | 99.8 Ų | 99.8 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.4 | -40.5 | 176.1 | 171.9 | 0 | 0 | 0 | 0 | 111.3 | E45 N47 N53 | E45-V49 WeakPolarHBondContact O-CG2 3.47Å; E45-V49 PolarHBondContact O-N 3.18Å; N47-V49 PolarHBondContact O-N 3.23Å; V49-N53 VanDerWaalsContact O-CG 3.27Å; V49-N53 PolarHBondContact O-N 3.09Å; V49-N53 VanDerWaalsContact O-N 3.13Å; V49-N53 PolarHBondContact O-ND2 2.95Å |
| 50 | K | 98 | Very high | 96.3 | Very high | 134 Ų | 134 | 97.9 Ų | 97.9 | 58% | 0.583 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.9 | -43.7 | 177.4 | -171.4 | 175.9 | -178.9 | 179.5 | 0 | 112.5 | E46 N47 N48 N53 L54 | E46-K50 WeakPolarHBondContact O-CB 3.38Å; E46-K50 PolarHBondContact O-N 3.45Å; N47-K50 PolarHBondContact O-N 2.92Å; N48-K50 VanDerWaalsContact C-N 3.32Å; N48-K50 PolarHBondContact O-N 2.86Å; K50-N53 PolarHBondContact O-N 2.89Å; K50-L54 HydrophobicContact CG-CD1 4.3Å; K50-L54 WeakPolarHBondContact O-CG 3.22Å; K50-L54 PolarHBondContact O-N 3.46Å |
| 51 | I | 96.6 | Very high | 96.2 | Very high | 87 Ų | 87 | 95.8 Ų | 95.8 | 45% | 0.446 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.1 | -53 | 175.1 | -70.1 | 162.9 | 0 | 0 | 0 | 109.7 | N47 N48 N53 L54 E55 | N47-I51 VanDerWaalsContact O-CG1 3.27Å; N47-I51 WeakPolarHBondContact O-CG1 3.34Å; N47-I51 PolarHBondContact O-N 3.17Å; N48-I51 PolarHBondContact O-N 3.05Å; I51-N53 PolarHBondContact O-N 3.25Å; I51-L54 PolarHBondContact O-N 2.89Å; I51-E55 HydrophobicContact CG2-CG 4.26Å; I51-E55 WeakPolarHBondContact O-CG 3.46Å; I51-E55 PolarHBondContact O-N 3.1Å |
| 52 | G | 97.2 | Very high | 96.1 | Very high | 20 Ų | 20 | 97.2 Ų | 97.2 | 21% | 0.206 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -63.2 | -14.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | N48 K56 | N48-G52 PolarHBondContact O-N 3.12Å; G52-K56 WeakPolarHBondContact O-CD 3.36Å; G52-K56 WeakPolarHBondContact O-CE 3.46Å; G52-K56 VanDerWaalsContact O-CG 3.25Å; G52-K56 WeakPolarHBondContact O-CG 3.18Å; G52-K56 PolarHBondContact O-NZ 2.83Å |
| 53 | N | 95.6 | Very high | 96.1 | Very high | 80 Ų | 80 | 100 Ų | 100 | 43% | 0.428 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -87.8 | -42.8 | 169.7 | -71.3 | -21.8 | 0 | 0 | 0 | 112 | V49 K50 I51 E55 K56 E57 | V49-N53 VanDerWaalsContact O-CG 3.27Å; V49-N53 PolarHBondContact O-N 3.09Å; V49-N53 VanDerWaalsContact O-N 3.13Å; V49-N53 PolarHBondContact O-ND2 2.95Å; K50-N53 PolarHBondContact O-N 2.89Å; I51-N53 PolarHBondContact O-N 3.25Å; N53-E55 VanDerWaalsContact C-N 3.27Å; N53-E55 PolarHBondContact O-N 3.45Å; N53-K56 WeakPolarHBondContact O-CB 3.46Å; N53-K56 PolarHBondContact O-N 3.08Å; N53-K56 VanDerWaalsContact O-N 3.17Å; N53-K56 PolarHBondContact OD1-NZ 2.94Å; N53-E57 PolarHBondContact O-N 3.29Å |
| 54 | L | 96.1 | Very high | 95.9 | Very high | 84 Ų | 84 | 101.6 Ų | 101.6 | 44% | 0.44 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.3 | -31.1 | 173.8 | -69.7 | 168.2 | 0 | 0 | 0 | 112.6 | K50 I51 N58 | K50-L54 HydrophobicContact CG-CD1 4.3Å; K50-L54 WeakPolarHBondContact O-CG 3.22Å; K50-L54 PolarHBondContact O-N 3.46Å; I51-L54 PolarHBondContact O-N 2.89Å; L54-N58 WeakPolarHBondContact O-CB 3.27Å; L54-N58 PolarHBondContact O-N 3.48Å; L54-N58 PolarHBondContact O-ND2 3.3Å |
| 55 | E | 95.8 | Very high | 95.7 | Very high | 124 Ų | 124 | 101 Ų | 101 | 58% | 0.579 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.9 | -40.8 | 172.4 | -73.2 | 176.9 | 164.4 | 0 | 0 | 112.3 | I51 N53 K59 | I51-E55 HydrophobicContact CG2-CG 4.26Å; I51-E55 WeakPolarHBondContact O-CG 3.46Å; I51-E55 PolarHBondContact O-N 3.1Å; N53-E55 VanDerWaalsContact C-N 3.27Å; N53-E55 PolarHBondContact O-N 3.45Å; E55-K59 VanDerWaalsContact O-CB 3.3Å; E55-K59 WeakPolarHBondContact O-CB 3.33Å; E55-K59 PolarHBondContact O-N 3.14Å |
| 56 | K | 97 | Very high | 95.5 | Very high | 131 Ų | 131 | 97.8 Ų | 97.8 | 57% | 0.57 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.9 | -43.1 | 174.7 | -67.4 | 162.8 | -162.3 | 152.6 | 0 | 110.8 | G52 N53 K59 T60 | G52-K56 WeakPolarHBondContact O-CD 3.36Å; G52-K56 WeakPolarHBondContact O-CE 3.46Å; G52-K56 VanDerWaalsContact O-CG 3.25Å; G52-K56 WeakPolarHBondContact O-CG 3.18Å; G52-K56 PolarHBondContact O-NZ 2.83Å; N53-K56 WeakPolarHBondContact O-CB 3.46Å; N53-K56 PolarHBondContact O-N 3.08Å; N53-K56 VanDerWaalsContact O-N 3.17Å; N53-K56 PolarHBondContact OD1-NZ 2.94Å; K56-K59 CarbonylContact O-C 3.52Å; K56-K59 WeakPolarHBondContact O-CB 3.47Å; K56-K59 PolarHBondContact O-N 3.07Å; K56-K59 VanDerWaalsContact O-N 3.15Å; K56-T60 PolarHBondContact O-N 3.22Å; K56-T60 PolarHBondContact O-OG1 3.1Å |
| 57 | E | 95.9 | Very high | 95.3 | Very high | 108 Ų | 108 | 95.6 Ų | 95.6 | 51% | 0.505 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64 | -45.2 | 178.2 | -171.6 | 176.1 | -177 | 0 | 0 | 111.9 | N53 K59 T60 L61 | N53-E57 PolarHBondContact O-N 3.29Å; E57-K59 VanDerWaalsContact C-N 3.27Å; E57-K59 PolarHBondContact O-N 2.9Å; E57-T60 WeakPolarHBondContact CA-OG1 3.39Å; E57-T60 PolarHBondContact O-N 3.16Å; E57-T60 PolarHBondContact O-OG1 3.25Å; E57-L61 HydrophobicContact CG-CD1 4.12Å; E57-L61 WeakPolarHBondContact O-CB 3.46Å; E57-L61 WeakPolarHBondContact O-CG 3.31Å; E57-L61 PolarHBondContact O-N 2.93Å |
| 58 | N | 92.1 | Very high | 94.9 | Very high | 107 Ų | 107 | 99.5 Ų | 99.5 | 57% | 0.572 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -58.3 | -40 | 170.5 | -86.4 | -75.3 | 0 | 0 | 0 | 111.8 | L54 T60 L61 F62 | L54-N58 WeakPolarHBondContact O-CB 3.27Å; L54-N58 PolarHBondContact O-N 3.48Å; L54-N58 PolarHBondContact O-ND2 3.3Å; N58-T60 VanDerWaalsContact C-N 3.34Å; N58-T60 PolarHBondContact O-N 3.39Å; N58-L61 PolarHBondContact O-N 3.07Å; N58-F62 VanDerWaalsContact O-CB 3.29Å; N58-F62 WeakPolarHBondContact O-CB 3.4Å; N58-F62 PolarHBondContact O-N 2.89Å |
| 59 | K | 97 | Very high | 94.8 | Very high | 151 Ų | 151 | 100.8 Ų | 100.8 | 66% | 0.657 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -71.3 | -23.4 | 179.2 | -166.6 | 168.8 | -173.3 | 169.4 | 0 | 113.6 | E55 K56 E57 K63 | E55-K59 VanDerWaalsContact O-CB 3.3Å; E55-K59 WeakPolarHBondContact O-CB 3.33Å; E55-K59 PolarHBondContact O-N 3.14Å; K56-K59 CarbonylContact O-C 3.52Å; K56-K59 WeakPolarHBondContact O-CB 3.47Å; K56-K59 PolarHBondContact O-N 3.07Å; K56-K59 VanDerWaalsContact O-N 3.15Å; E57-K59 VanDerWaalsContact C-N 3.27Å; E57-K59 PolarHBondContact O-N 2.9Å; K59-K63 WeakPolarHBondContact O-CG 3.43Å |
| 60 | T | 93.9 | Very high | 94.5 | Very high | 70 Ų | 70 | 102.1 Ų | 102.1 | 43% | 0.429 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -80.5 | -47.6 | 168.4 | 43.8 | 0 | 0 | 0 | 0 | 111.5 | K56 E57 N58 F62 K63 E64 | K56-T60 PolarHBondContact O-N 3.22Å; K56-T60 PolarHBondContact O-OG1 3.1Å; E57-T60 WeakPolarHBondContact CA-OG1 3.39Å; E57-T60 PolarHBondContact O-N 3.16Å; E57-T60 PolarHBondContact O-OG1 3.25Å; N58-T60 VanDerWaalsContact C-N 3.34Å; N58-T60 PolarHBondContact O-N 3.39Å; T60-F62 VanDerWaalsContact C-N 3.29Å; T60-F62 PolarHBondContact O-N 3.49Å; T60-K63 WeakPolarHBondContact O-CB 3.46Å; T60-K63 PolarHBondContact O-N 3.44Å; T60-E64 PolarHBondContact O-N 2.68Å |
| 61 | L | 94.8 | Very high | 94 | Very high | 75 Ų | 75 | 99 Ų | 99 | 39% | 0.393 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.5 | -38.7 | 177.8 | -70.2 | 170 | 0 | 0 | 0 | 112.3 | E57 N58 K63 E64 I65 | E57-L61 HydrophobicContact CG-CD1 4.12Å; E57-L61 WeakPolarHBondContact O-CB 3.46Å; E57-L61 WeakPolarHBondContact O-CG 3.31Å; E57-L61 PolarHBondContact O-N 2.93Å; N58-L61 PolarHBondContact O-N 3.07Å; L61-K63 VanDerWaalsContact C-N 3.33Å; L61-K63 PolarHBondContact O-N 2.96Å; L61-E64 PolarHBondContact O-N 2.84Å; L61-I65 WeakPolarHBondContact O-CB 3.2Å; L61-I65 VanDerWaalsContact O-CG1 3.25Å; L61-I65 WeakPolarHBondContact O-CG1 3.31Å; L61-I65 PolarHBondContact O-N 2.83Å |
| 62 | F | 94.4 | Very high | 93.5 | Very high | 130 Ų | 130 | 98.4 Ų | 98.4 | 57% | 0.57 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.3 | -36 | 175.7 | -172.6 | -95.4 | 0 | 0 | 0 | 113 | N58 T60 N66 | N58-F62 VanDerWaalsContact O-CB 3.29Å; N58-F62 WeakPolarHBondContact O-CB 3.4Å; N58-F62 PolarHBondContact O-N 2.89Å; T60-F62 VanDerWaalsContact C-N 3.29Å; T60-F62 PolarHBondContact O-N 3.49Å; F62-N66 VanDerWaalsContact CE1-ND2 3.32Å; F62-N66 WeakPolarHBondContact CE1-ND2 3.4Å; F62-N66 PolarHBondContact O-N 2.83Å |
| 63 | K | 96.1 | Very high | 93.2 | Very high | 134 Ų | 134 | 101.3 Ų | 101.3 | 58% | 0.583 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -68.4 | -45.8 | 174.4 | -69.8 | 173.7 | 176.7 | -172.7 | 0 | 111.2 | K59 T60 L61 I65 N66 V67 | K59-K63 WeakPolarHBondContact O-CG 3.43Å; T60-K63 WeakPolarHBondContact O-CB 3.46Å; T60-K63 PolarHBondContact O-N 3.44Å; L61-K63 VanDerWaalsContact C-N 3.33Å; L61-K63 PolarHBondContact O-N 2.96Å; K63-I65 VanDerWaalsContact C-N 3.34Å; K63-I65 PolarHBondContact O-N 2.79Å; K63-N66 PolarHBondContact O-N 3.25Å; K63-N66 VanDerWaalsContact O-N 3.11Å; K63-V67 WeakPolarHBondContact O-CG2 3.29Å; K63-V67 PolarHBondContact O-N 3.05Å |
| 64 | E | 92.9 | Very high | 93 | Very high | 99 Ų | 99 | 104.8 Ų | 104.8 | 46% | 0.463 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.6 | -45.2 | 176.9 | -70 | 171.7 | -164.2 | 0 | 0 | 111.1 | T60 L61 N66 V67 Y68 | T60-E64 PolarHBondContact O-N 2.68Å; L61-E64 PolarHBondContact O-N 2.84Å; E64-N66 VanDerWaalsContact C-N 3.26Å; E64-N66 PolarHBondContact O-N 3.37Å; E64-V67 PolarHBondContact O-N 2.97Å; E64-Y68 HydrophobicContact CB-CD2 4.47Å; E64-Y68 HydrophobicContact CB-CE2 4.34Å; E64-Y68 WeakPolarHBondContact O-CD2 2.85Å; E64-Y68 PolarHBondContact O-N 3.13Å |
| 65 | I | 93.1 | Very high | 92.4 | Very high | 88 Ų | 88 | 105.5 Ų | 105.5 | 45% | 0.451 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -55.2 | -40.3 | 173.7 | -75.5 | 165.9 | 0 | 0 | 0 | 111.7 | L61 K63 Y68 K69 | L61-I65 WeakPolarHBondContact O-CB 3.2Å; L61-I65 VanDerWaalsContact O-CG1 3.25Å; L61-I65 WeakPolarHBondContact O-CG1 3.31Å; L61-I65 PolarHBondContact O-N 2.83Å; K63-I65 VanDerWaalsContact C-N 3.34Å; K63-I65 PolarHBondContact O-N 2.79Å; I65-Y68 PolarHBondContact O-N 3.23Å; I65-K69 WeakPolarHBondContact O-CG 3.42Å; I65-K69 PolarHBondContact O-N 2.87Å |
| 66 | N | 91.5 | Very high | 91.9 | Very high | 48 Ų | 48 | 105.9 Ų | 105.9 | 26% | 0.257 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -72.1 | -41.6 | 177.9 | -69.2 | -12.9 | 0 | 0 | 0 | 112.4 | F62 K63 E64 Y68 K69 E70 | F62-N66 VanDerWaalsContact CE1-ND2 3.32Å; F62-N66 WeakPolarHBondContact CE1-ND2 3.4Å; F62-N66 PolarHBondContact O-N 2.83Å; K63-N66 PolarHBondContact O-N 3.25Å; K63-N66 VanDerWaalsContact O-N 3.11Å; E64-N66 VanDerWaalsContact C-N 3.26Å; E64-N66 PolarHBondContact O-N 3.37Å; N66-Y68 VanDerWaalsContact C-N 3.27Å; N66-Y68 PolarHBondContact O-N 3.29Å; N66-K69 WeakPolarHBondContact O-CB 3.21Å; N66-K69 PolarHBondContact O-N 2.87Å; N66-K69 PolarHBondContact OD1-NZ 2.88Å; N66-E70 WeakPolarHBondContact O-CG 3.33Å; N66-E70 PolarHBondContact O-N 3.05Å |
| 67 | V | 94.1 | Very high | 91.4 | Very high | 91 Ų | 91 | 104.4 Ų | 104.4 | 55% | 0.552 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.2 | -38.7 | 171.7 | 173.9 | 0 | 0 | 0 | 0 | 111.4 | K63 E64 S71 | K63-V67 WeakPolarHBondContact O-CG2 3.29Å; K63-V67 PolarHBondContact O-N 3.05Å; E64-V67 PolarHBondContact O-N 2.97Å; V67-S71 WeakPolarHBondContact O-CB 3.48Å; V67-S71 PolarHBondContact O-N 3.48Å |
| 68 | Y | 87.8 | Confident | 90.6 | Very high | 159 Ų | 159 | 104.1 Ų | 104.1 | 62% | 0.624 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.5 | -37.1 | 173.3 | -75.3 | -59.8 | 0 | 0 | 0 | 112.9 | E64 I65 N66 S71 C72 | E64-Y68 HydrophobicContact CB-CD2 4.47Å; E64-Y68 HydrophobicContact CB-CE2 4.34Å; E64-Y68 WeakPolarHBondContact O-CD2 2.85Å; E64-Y68 PolarHBondContact O-N 3.13Å; I65-Y68 PolarHBondContact O-N 3.23Å; N66-Y68 VanDerWaalsContact C-N 3.27Å; N66-Y68 PolarHBondContact O-N 3.29Å; Y68-S71 PolarHBondContact O-N 3.1Å; Y68-C72 WeakPolarHBondContact O-CB 3.48Å; Y68-C72 PolarHBondContact O-N 3.34Å; Y68-C72 PolarHBondContact O-SG 3.47Å; Y68-C72 VanDerWaalsContact O-SG 3.32Å |
| 69 | K | 92.9 | Very high | 90.1 | Very high | 114 Ų | 114 | 103.3 Ų | 103.3 | 50% | 0.496 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62 | -49.2 | 172.4 | -70.7 | 167.3 | -167.5 | 161.5 | 0 | 111.3 | I65 N66 S71 C72 V73 | I65-K69 WeakPolarHBondContact O-CG 3.42Å; I65-K69 PolarHBondContact O-N 2.87Å; N66-K69 WeakPolarHBondContact O-CB 3.21Å; N66-K69 PolarHBondContact O-N 2.87Å; N66-K69 PolarHBondContact OD1-NZ 2.88Å; K69-S71 VanDerWaalsContact C-N 3.33Å; K69-S71 PolarHBondContact O-N 3.43Å; K69-C72 WeakPolarHBondContact O-CB 3.5Å; K69-C72 PolarHBondContact O-N 3.17Å; K69-C72 VanDerWaalsContact O-N 3.16Å; K69-V73 WeakPolarHBondContact O-CG2 3.33Å; K69-V73 PolarHBondContact O-N 2.94Å |
| 70 | E | 92.2 | Very high | 89.6 | Confident | 111 Ų | 111 | 101.5 Ų | 101.5 | 52% | 0.519 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -57.9 | -44.8 | 177.2 | -70.7 | 169.6 | -141.5 | 0 | 0 | 111.6 | N66 C72 V73 R74 | N66-E70 WeakPolarHBondContact O-CG 3.33Å; N66-E70 PolarHBondContact O-N 3.05Å; E70-C72 PolarHBondContact O-N 2.84Å; E70-V73 PolarHBondContact O-N 2.83Å; E70-R74 PolarHBondContact O-N 2.64Å |
| 71 | S | 87.8 | Confident | 89.4 | Confident | 68 Ų | 68 | 103.6 Ų | 103.6 | 48% | 0.476 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.5 | -43 | 175.1 | -170 | 0 | 0 | 0 | 0 | 112.1 | V67 Y68 K69 V73 R74 L75 | V67-S71 WeakPolarHBondContact O-CB 3.48Å; V67-S71 PolarHBondContact O-N 3.48Å; Y68-S71 PolarHBondContact O-N 3.1Å; K69-S71 VanDerWaalsContact C-N 3.33Å; K69-S71 PolarHBondContact O-N 3.43Å; S71-V73 VanDerWaalsContact C-N 3.34Å; S71-V73 PolarHBondContact O-N 3.07Å; S71-R74 PolarHBondContact O-N 2.94Å; S71-L75 WeakPolarHBondContact O-CB 3.43Å; S71-L75 PolarHBondContact O-N 2.92Å |
| 72 | C | 86.2 | Confident | 88.7 | Confident | 75 Ų | 75 | 104.7 Ų | 104.7 | 51% | 0.507 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.6 | -28.8 | 174.9 | -77.1 | 0 | 0 | 0 | 0 | 113.9 | Y68 K69 E70 K76 | Y68-C72 WeakPolarHBondContact O-CB 3.48Å; Y68-C72 PolarHBondContact O-N 3.34Å; Y68-C72 PolarHBondContact O-SG 3.47Å; Y68-C72 VanDerWaalsContact O-SG 3.32Å; K69-C72 WeakPolarHBondContact O-CB 3.5Å; K69-C72 PolarHBondContact O-N 3.17Å; K69-C72 VanDerWaalsContact O-N 3.16Å; E70-C72 PolarHBondContact O-N 2.84Å; C72-K76 WeakPolarHBondContact O-CD 3.26Å; C72-K76 VanDerWaalsContact O-CG 3.31Å; C72-K76 WeakPolarHBondContact O-CG 3.43Å; C72-K76 PolarHBondContact O-N 2.88Å |
| 73 | V | 90.7 | Very high | 88.4 | Confident | 80 Ų | 80 | 104 Ų | 104 | 49% | 0.485 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70.5 | -51.6 | 171.2 | 172.3 | 0 | 0 | 0 | 0 | 109.6 | K69 E70 S71 L75 K76 E77 | K69-V73 WeakPolarHBondContact O-CG2 3.33Å; K69-V73 PolarHBondContact O-N 2.94Å; E70-V73 PolarHBondContact O-N 2.83Å; S71-V73 VanDerWaalsContact C-N 3.34Å; S71-V73 PolarHBondContact O-N 3.07Å; V73-L75 VanDerWaalsContact C-N 3.28Å; V73-L75 PolarHBondContact O-N 3.12Å; V73-K76 WeakPolarHBondContact O-CA 3.32Å; V73-K76 WeakPolarHBondContact O-CB 3.45Å; V73-K76 PolarHBondContact O-N 3.32Å; V73-E77 PolarHBondContact O-N 3.22Å |
| 74 | R | 90.3 | Very high | 87.9 | Confident | 153 Ų | 153 | 101.9 Ų | 101.9 | 58% | 0.577 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60 | -35.4 | 179.7 | -169.2 | 166.4 | -67.6 | 136.1 | 7.2 | 113.3 | E70 S71 E77 L78 | E70-R74 PolarHBondContact O-N 2.64Å; S71-R74 PolarHBondContact O-N 2.94Å; R74-E77 WeakPolarHBondContact CA-OE2 3.48Å; R74-E77 PolarHBondContact O-N 2.98Å; R74-L78 HydrophobicContact CG-CD1 4.45Å; R74-L78 WeakPolarHBondContact O-CG 3.3Å; R74-L78 PolarHBondContact O-N 3.33Å |
| 75 | L | 83.6 | Confident | 87.4 | Confident | 99 Ų | 99 | 102 Ų | 102 | 52% | 0.518 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.8 | -39 | 173.6 | -173.3 | 147.2 | 0 | 0 | 0 | 112.1 | S71 V73 E77 E79 | S71-L75 WeakPolarHBondContact O-CB 3.43Å; S71-L75 PolarHBondContact O-N 2.92Å; V73-L75 VanDerWaalsContact C-N 3.28Å; V73-L75 PolarHBondContact O-N 3.12Å; L75-E77 VanDerWaalsContact C-N 3.31Å; L75-E77 PolarHBondContact O-N 3.37Å; L75-E79 HydrophobicContact CD2-CG 4.45Å; L75-E79 WeakPolarHBondContact O-CB 3.19Å; L75-E79 PolarHBondContact O-N 2.95Å |
| 76 | K | 85.9 | Confident | 86.9 | Confident | 133 Ų | 133 | 101.8 Ų | 101.8 | 58% | 0.578 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -68.2 | -29.2 | 174.4 | -71.7 | 170 | -177.7 | 177.1 | 0 | 112.8 | C72 V73 K80 | C72-K76 WeakPolarHBondContact O-CD 3.26Å; C72-K76 VanDerWaalsContact O-CG 3.31Å; C72-K76 WeakPolarHBondContact O-CG 3.43Å; C72-K76 PolarHBondContact O-N 2.88Å; V73-K76 WeakPolarHBondContact O-CA 3.32Å; V73-K76 WeakPolarHBondContact O-CB 3.45Å; V73-K76 PolarHBondContact O-N 3.32Å; K76-K80 WeakPolarHBondContact O-CG 3.31Å; K76-K80 PolarHBondContact O-N 2.88Å |
| 77 | E | 85.7 | Confident | 86.8 | Confident | 99 Ų | 99 | 105.2 Ų | 105.2 | 46% | 0.463 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.8 | -51.6 | 173.8 | -67.7 | 167 | 163.5 | 0 | 0 | 110.8 | V73 R74 L75 E79 K80 E81 | V73-E77 PolarHBondContact O-N 3.22Å; R74-E77 WeakPolarHBondContact CA-OE2 3.48Å; R74-E77 PolarHBondContact O-N 2.98Å; L75-E77 VanDerWaalsContact C-N 3.31Å; L75-E77 PolarHBondContact O-N 3.37Å; E77-E79 PolarHBondContact O-N 3.08Å; E77-K80 WeakPolarHBondContact O-CA 3.23Å; E77-K80 WeakPolarHBondContact O-CB 3.4Å; E77-K80 PolarHBondContact O-N 2.66Å; E77-E81 PolarHBondContact O-N 2.91Å |
| 78 | L | 79.9 | Confident | 86.3 | Confident | 102 Ų | 102 | 108.8 Ų | 108.8 | 53% | 0.534 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.3 | -34.8 | 175 | -68.5 | 168.3 | 0 | 0 | 0 | 112.4 | R74 N82 | R74-L78 HydrophobicContact CG-CD1 4.45Å; R74-L78 WeakPolarHBondContact O-CG 3.3Å; R74-L78 PolarHBondContact O-N 3.33Å; L78-N82 VanDerWaalsContact O-CB 3.24Å; L78-N82 WeakPolarHBondContact O-CB 3.31Å; L78-N82 PolarHBondContact O-N 3.16Å |
| 79 | E | 80.8 | Confident | 86 | Confident | 91 Ų | 91 | 103.4 Ų | 103.4 | 43% | 0.425 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.5 | -35.7 | 171.4 | -95 | -161.7 | -138.9 | 0 | 0 | 113.7 | L75 E77 K83 | L75-E79 HydrophobicContact CD2-CG 4.45Å; L75-E79 WeakPolarHBondContact O-CB 3.19Å; L75-E79 PolarHBondContact O-N 2.95Å; E77-E79 PolarHBondContact O-N 3.08Å; E79-K83 WeakPolarHBondContact O-CB 3.4Å; E79-K83 WeakPolarHBondContact O-CD 3.39Å; E79-K83 WeakPolarHBondContact O-CE 3.21Å; E79-K83 WeakPolarHBondContact O-CG 3.48Å; E79-K83 PolarHBondContact O-N 2.92Å; E79-K83 IonicContact OE2-NZ 4Å; E79-K83 PolarHBondContact OE2-NZ 2.93Å |
| 80 | K | 87.9 | Confident | 85.8 | Confident | 113 Ų | 113 | 101.1 Ų | 101.1 | 49% | 0.491 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -70.9 | -49.2 | 175.5 | -70 | 166.6 | -177.4 | 176.7 | 0 | 110.1 | K76 E77 N82 K83 E84 | K76-K80 WeakPolarHBondContact O-CG 3.31Å; K76-K80 PolarHBondContact O-N 2.88Å; E77-K80 WeakPolarHBondContact O-CA 3.23Å; E77-K80 WeakPolarHBondContact O-CB 3.4Å; E77-K80 PolarHBondContact O-N 2.66Å; K80-N82 VanDerWaalsContact C-N 3.34Å; K80-N82 PolarHBondContact O-N 2.91Å; K80-K83 WeakPolarHBondContact O-CB 3.49Å; K80-K83 PolarHBondContact O-N 2.98Å; K80-K83 VanDerWaalsContact O-N 3.1Å; K80-E84 PolarHBondContact O-N 3.2Å |
| 81 | E | 88.4 | Confident | 85.8 | Confident | 113 Ų | 113 | 100.4 Ų | 100.4 | 53% | 0.528 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -56.2 | -47.6 | 178.5 | -174.3 | -179.1 | -172.9 | 0 | 0 | 111.2 | E77 K83 E84 L85 | E77-E81 PolarHBondContact O-N 2.91Å; E81-K83 VanDerWaalsContact C-N 3.34Å; E81-K83 PolarHBondContact O-N 3.2Å; E81-E84 CarbonylContact O-C 3.53Å; E81-E84 WeakPolarHBondContact O-CA 3.47Å; E81-E84 PolarHBondContact O-N 3.12Å; E81-L85 HydrophobicContact CG-CD1 4.17Å; E81-L85 HydrophobicContact CG-CG 4.46Å; E81-L85 WeakPolarHBondContact O-CG 3.47Å; E81-L85 PolarHBondContact O-N 2.86Å |
| 82 | N | 79.7 | Confident | 85.7 | Confident | 99 Ų | 99 | 100.8 Ų | 100.8 | 53% | 0.529 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.8 | -40.9 | 176.6 | -169 | 2 | 0 | 0 | 0 | 112.1 | L78 K80 E84 L85 V86 | L78-N82 VanDerWaalsContact O-CB 3.24Å; L78-N82 WeakPolarHBondContact O-CB 3.31Å; L78-N82 PolarHBondContact O-N 3.16Å; K80-N82 VanDerWaalsContact C-N 3.34Å; K80-N82 PolarHBondContact O-N 2.91Å; N82-E84 VanDerWaalsContact C-N 3.25Å; N82-E84 PolarHBondContact O-N 3.39Å; N82-L85 PolarHBondContact O-N 3.25Å; N82-V86 WeakPolarHBondContact O-CB 3.43Å; N82-V86 WeakPolarHBondContact O-CG2 3.48Å; N82-V86 PolarHBondContact O-N 3.26Å |
| 83 | K | 88.1 | Confident | 86 | Confident | 114 Ų | 114 | 102.5 Ų | 102.5 | 50% | 0.496 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.9 | -28.2 | 174.2 | -71.3 | 161.6 | -162.7 | 159.6 | 0 | 112.4 | E79 K80 E81 K87 | E79-K83 WeakPolarHBondContact O-CB 3.4Å; E79-K83 WeakPolarHBondContact O-CD 3.39Å; E79-K83 WeakPolarHBondContact O-CE 3.21Å; E79-K83 WeakPolarHBondContact O-CG 3.48Å; E79-K83 PolarHBondContact O-N 2.92Å; E79-K83 IonicContact OE2-NZ 4Å; E79-K83 PolarHBondContact OE2-NZ 2.93Å; K80-K83 WeakPolarHBondContact O-CB 3.49Å; K80-K83 PolarHBondContact O-N 2.98Å; K80-K83 VanDerWaalsContact O-N 3.1Å; E81-K83 VanDerWaalsContact C-N 3.34Å; E81-K83 PolarHBondContact O-N 3.2Å; K83-K87 WeakPolarHBondContact O-CD 3.28Å; K83-K87 VanDerWaalsContact O-CG 3.25Å; K83-K87 WeakPolarHBondContact O-CG 3.35Å; K83-K87 PolarHBondContact O-N 3.38Å |
| 84 | E | 85.5 | Confident | 86.1 | Confident | 90 Ų | 90 | 105.3 Ų | 105.3 | 42% | 0.421 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -81 | -38.9 | 175.4 | -70.2 | 179.3 | -167.2 | 0 | 0 | 112.3 | K80 E81 N82 K87 R88 Q318 | K80-E84 PolarHBondContact O-N 3.2Å; E81-E84 CarbonylContact O-C 3.53Å; E81-E84 WeakPolarHBondContact O-CA 3.47Å; E81-E84 PolarHBondContact O-N 3.12Å; N82-E84 VanDerWaalsContact C-N 3.25Å; N82-E84 PolarHBondContact O-N 3.39Å; E84-K87 WeakPolarHBondContact O-CB 3.38Å; E84-K87 PolarHBondContact O-N 2.86Å; E84-R88 PolarHBondContact O-N 3.35Å; E84-Q318 PolarHBondContact OE1-NE2 3.03Å |
| 85 | L | 82.6 | Confident | 86.2 | Confident | 101 Ų | 101 | 101.5 Ų | 101.5 | 53% | 0.529 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.2 | -42.6 | 171 | -69.5 | 171.4 | 0 | 0 | 0 | 111.9 | E81 N82 R88 A89 | E81-L85 HydrophobicContact CG-CD1 4.17Å; E81-L85 HydrophobicContact CG-CG 4.46Å; E81-L85 WeakPolarHBondContact O-CG 3.47Å; E81-L85 PolarHBondContact O-N 2.86Å; N82-L85 PolarHBondContact O-N 3.25Å; L85-R88 WeakPolarHBondContact O-CB 3.4Å; L85-R88 PolarHBondContact O-N 3.13Å; L85-A89 WeakPolarHBondContact O-CB 3.49Å; L85-A89 PolarHBondContact O-N 3.2Å |
| 86 | V | 82.3 | Confident | 86.6 | Confident | 84 Ų | 84 | 101 Ų | 101 | 51% | 0.509 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64 | -40.2 | 174.9 | 169.3 | 0 | 0 | 0 | 0 | 111.7 | N82 R88 T90 | N82-V86 WeakPolarHBondContact O-CB 3.43Å; N82-V86 WeakPolarHBondContact O-CG2 3.48Å; N82-V86 PolarHBondContact O-N 3.26Å; V86-R88 VanDerWaalsContact C-N 3.35Å; V86-T90 WeakPolarHBondContact O-CB 3.32Å; V86-T90 PolarHBondContact O-N 3.01Å; V86-T90 PolarHBondContact O-OG1 2.91Å |
| 87 | K | 90.4 | Very high | 86.9 | Confident | 121 Ų | 121 | 97.8 Ų | 97.8 | 53% | 0.526 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.9 | -44.2 | 171.8 | -73.5 | 167.1 | -173.2 | 175.1 | 0 | 111.1 | K83 E84 T90 I91 | K83-K87 WeakPolarHBondContact O-CD 3.28Å; K83-K87 VanDerWaalsContact O-CG 3.25Å; K83-K87 WeakPolarHBondContact O-CG 3.35Å; K83-K87 PolarHBondContact O-N 3.38Å; E84-K87 WeakPolarHBondContact O-CB 3.38Å; E84-K87 PolarHBondContact O-N 2.86Å; K87-T90 WeakPolarHBondContact O-CB 3.36Å; K87-T90 PolarHBondContact O-N 3.49Å; K87-I91 WeakPolarHBondContact O-CG1 3.31Å; K87-I91 PolarHBondContact O-N 3.1Å |
| 88 | R | 83.9 | Confident | 87.2 | Confident | 166 Ų | 166 | 96.4 Ų | 96.4 | 63% | 0.626 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -60.7 | -54.4 | 179.3 | -166.6 | 75 | -163.8 | -152.3 | 1.2 | 111.3 | E84 L85 V86 T90 I91 D92 | E84-R88 PolarHBondContact O-N 3.35Å; L85-R88 WeakPolarHBondContact O-CB 3.4Å; L85-R88 PolarHBondContact O-N 3.13Å; V86-R88 VanDerWaalsContact C-N 3.35Å; R88-T90 PolarHBondContact O-N 3.49Å; R88-I91 WeakPolarHBondContact O-CA 3.48Å; R88-I91 WeakPolarHBondContact O-CB 3.25Å; R88-I91 PolarHBondContact O-N 3.42Å; R88-D92 IonicContact NE-OD1 2.66Å; R88-D92 VanDerWaalsContact O-CG 3.25Å; R88-D92 PolarHBondContact O-N 2.97Å |
| 89 | A | 80.9 | Confident | 87.8 | Confident | 46 Ų | 46 | 96.7 Ų | 96.7 | 38% | 0.38 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -57 | -36.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L85 D92 I93 | L85-A89 WeakPolarHBondContact O-CB 3.49Å; L85-A89 PolarHBondContact O-N 3.2Å; A89-D92 PolarHBondContact O-N 3.44Å; A89-I93 WeakPolarHBondContact O-CB 3.38Å; A89-I93 WeakPolarHBondContact O-CD1 3.12Å; A89-I93 WeakPolarHBondContact O-CG1 3.43Å; A89-I93 PolarHBondContact O-N 2.8Å |
| 90 | T | 89.6 | Confident | 88.5 | Confident | 65 Ų | 65 | 100.1 Ų | 100.1 | 40% | 0.399 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.1 | -35.6 | 175.4 | -58.2 | 0 | 0 | 0 | 0 | 112.7 | V86 K87 R88 K94 | V86-T90 WeakPolarHBondContact O-CB 3.32Å; V86-T90 PolarHBondContact O-N 3.01Å; V86-T90 PolarHBondContact O-OG1 2.91Å; K87-T90 WeakPolarHBondContact O-CB 3.36Å; K87-T90 PolarHBondContact O-N 3.49Å; R88-T90 PolarHBondContact O-N 3.49Å; T90-K94 WeakPolarHBondContact O-CG 3.41Å; T90-K94 PolarHBondContact O-N 3.37Å |
| 91 | I | 90.7 | Very high | 88.8 | Confident | 96 Ų | 96 | 100.1 Ų | 100.1 | 49% | 0.492 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.7 | -49.8 | 173.5 | -66.9 | 163.1 | 0 | 0 | 0 | 109.5 | K87 R88 I93 K94 T95 | K87-I91 WeakPolarHBondContact O-CG1 3.31Å; K87-I91 PolarHBondContact O-N 3.1Å; R88-I91 WeakPolarHBondContact O-CA 3.48Å; R88-I91 WeakPolarHBondContact O-CB 3.25Å; R88-I91 PolarHBondContact O-N 3.42Å; I91-I93 VanDerWaalsContact C-N 3.3Å; I91-I93 PolarHBondContact O-N 2.97Å; I91-K94 WeakPolarHBondContact O-CB 3.47Å; I91-K94 PolarHBondContact O-N 2.83Å; I91-T95 PolarHBondContact O-N 3.05Å; I91-T95 PolarHBondContact O-OG1 3.17Å |
| 92 | D | 85.7 | Confident | 89 | Confident | 77 Ų | 77 | 99 Ų | 99 | 41% | 0.412 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.6 | -39.6 | -177.4 | -57.7 | -31.7 | 0 | 0 | 0 | 111.4 | R88 A89 T95 L96 | R88-D92 IonicContact NE-OD1 2.66Å; R88-D92 VanDerWaalsContact O-CG 3.25Å; R88-D92 PolarHBondContact O-N 2.97Å; A89-D92 PolarHBondContact O-N 3.44Å; D92-T95 PolarHBondContact O-N 3.12Å; D92-L96 WeakPolarHBondContact O-CB 3.48Å; D92-L96 PolarHBondContact O-N 3.01Å |
| 93 | I | 93.8 | Very high | 89.8 | Confident | 111 Ų | 111 | 100.3 Ų | 100.3 | 57% | 0.569 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.3 | -45 | 172.4 | -72.2 | 166.5 | 0 | 0 | 0 | 111.5 | A89 I91 L96 V97 | A89-I93 WeakPolarHBondContact O-CB 3.38Å; A89-I93 WeakPolarHBondContact O-CD1 3.12Å; A89-I93 WeakPolarHBondContact O-CG1 3.43Å; A89-I93 PolarHBondContact O-N 2.8Å; I91-I93 VanDerWaalsContact C-N 3.3Å; I91-I93 PolarHBondContact O-N 2.97Å; I93-L96 PolarHBondContact O-N 2.96Å; I93-V97 WeakPolarHBondContact O-CG2 3.25Å; I93-V97 PolarHBondContact O-N 3.49Å |
| 94 | K | 92.3 | Very high | 90.3 | Very high | 139 Ų | 139 | 99 Ų | 99 | 60% | 0.604 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.8 | -45.4 | 178 | -74.3 | 173.9 | 179.1 | -175.7 | 0 | 111.5 | T90 I91 L96 V97 T98 | T90-K94 WeakPolarHBondContact O-CG 3.41Å; T90-K94 PolarHBondContact O-N 3.37Å; I91-K94 WeakPolarHBondContact O-CB 3.47Å; I91-K94 PolarHBondContact O-N 2.83Å; K94-L96 VanDerWaalsContact C-N 3.29Å; K94-L96 PolarHBondContact O-N 2.84Å; K94-V97 WeakPolarHBondContact O-CB 3.34Å; K94-V97 PolarHBondContact O-N 3.22Å; K94-V97 VanDerWaalsContact O-N 3.14Å; K94-T98 PolarHBondContact O-N 2.76Å; K94-T98 PolarHBondContact O-OG1 3.39Å |
| 95 | T | 92.1 | Very high | 90.7 | Very high | 72 Ų | 72 | 98 Ų | 98 | 44% | 0.442 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59 | -40.5 | 175.1 | -58.9 | 0 | 0 | 0 | 0 | 111.6 | I91 D92 T98 L99 | I91-T95 PolarHBondContact O-N 3.05Å; I91-T95 PolarHBondContact O-OG1 3.17Å; D92-T95 PolarHBondContact O-N 3.12Å; T95-T98 PolarHBondContact O-N 2.88Å; T95-L99 HydrophobicContact CG2-CD1 3.92Å; T95-L99 HydrophobicContact CG2-CG 4.39Å; T95-L99 WeakPolarHBondContact O-CB 3.33Å; T95-L99 VanDerWaalsContact O-CG 3.27Å; T95-L99 WeakPolarHBondContact O-CG 3.23Å; T95-L99 PolarHBondContact O-N 2.94Å |
| 96 | L | 91.9 | Very high | 91.3 | Very high | 88 Ų | 88 | 97.9 Ų | 97.9 | 46% | 0.461 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.3 | -33.8 | 177 | -153.5 | 168 | 0 | 0 | 0 | 112.1 | D92 I93 K94 R100 | D92-L96 WeakPolarHBondContact O-CB 3.48Å; D92-L96 PolarHBondContact O-N 3.01Å; I93-L96 PolarHBondContact O-N 2.96Å; K94-L96 VanDerWaalsContact C-N 3.29Å; K94-L96 PolarHBondContact O-N 2.84Å; L96-R100 HydrophobicContact CD2-CG 4.25Å; L96-R100 VanDerWaalsContact CD2-CZ 3.44Å; L96-R100 VanDerWaalsContact O-CG 3.29Å; L96-R100 WeakPolarHBondContact O-CG 3.44Å; L96-R100 PolarHBondContact O-N 3.27Å |
| 97 | V | 93 | Very high | 92 | Very high | 66 Ų | 66 | 101.2 Ų | 101.2 | 40% | 0.4 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.8 | -53 | 171.2 | 170.7 | 0 | 0 | 0 | 0 | 110.9 | I93 K94 L99 R100 E101 | I93-V97 WeakPolarHBondContact O-CG2 3.25Å; I93-V97 PolarHBondContact O-N 3.49Å; K94-V97 WeakPolarHBondContact O-CB 3.34Å; K94-V97 PolarHBondContact O-N 3.22Å; K94-V97 VanDerWaalsContact O-N 3.14Å; V97-L99 PolarHBondContact O-N 3.48Å; V97-R100 WeakPolarHBondContact O-CA 3.47Å; V97-R100 WeakPolarHBondContact O-CB 3.03Å; V97-R100 PolarHBondContact O-N 2.9Å; V97-E101 HydrophobicContact CG1-CG 4.44Å; V97-E101 WeakPolarHBondContact O-CG 3.44Å; V97-E101 PolarHBondContact O-N 2.89Å |
| 98 | T | 91.5 | Very high | 92.2 | Very high | 70 Ų | 70 | 100.4 Ų | 100.4 | 43% | 0.429 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.1 | -44.6 | -180 | -55.5 | 0 | 0 | 0 | 0 | 112 | K94 T95 R100 E101 D102 | K94-T98 PolarHBondContact O-N 2.76Å; K94-T98 PolarHBondContact O-OG1 3.39Å; T95-T98 PolarHBondContact O-N 2.88Å; T98-R100 PolarHBondContact O-N 3.12Å; T98-E101 WeakPolarHBondContact O-CB 3.4Å; T98-E101 PolarHBondContact O-N 3.47Å; T98-D102 PolarHBondContact O-N 3.15Å |
| 99 | L | 93.5 | Very high | 92.8 | Very high | 109 Ų | 109 | 98.6 Ų | 98.6 | 57% | 0.571 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.3 | -25.9 | 176.2 | -70.8 | 172.7 | 0 | 0 | 0 | 113.4 | T95 V97 L103 | T95-L99 HydrophobicContact CG2-CD1 3.92Å; T95-L99 HydrophobicContact CG2-CG 4.39Å; T95-L99 WeakPolarHBondContact O-CB 3.33Å; T95-L99 VanDerWaalsContact O-CG 3.27Å; T95-L99 WeakPolarHBondContact O-CG 3.23Å; T95-L99 PolarHBondContact O-N 2.94Å; V97-L99 PolarHBondContact O-N 3.48Å; L99-L103 WeakPolarHBondContact O-CB 3.39Å; L99-L103 PolarHBondContact O-N 3.04Å |
| 100 | R | 94.6 | Very high | 93.5 | Very high | 163 Ų | 163 | 100 Ų | 100 | 62% | 0.615 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -75.8 | -39.1 | 171.2 | -77.2 | 171.7 | 172 | 178.1 | 1.8 | 111.8 | L96 V97 T98 L103 V104 | L96-R100 HydrophobicContact CD2-CG 4.25Å; L96-R100 VanDerWaalsContact CD2-CZ 3.44Å; L96-R100 VanDerWaalsContact O-CG 3.29Å; L96-R100 WeakPolarHBondContact O-CG 3.44Å; L96-R100 PolarHBondContact O-N 3.27Å; V97-R100 WeakPolarHBondContact O-CA 3.47Å; V97-R100 WeakPolarHBondContact O-CB 3.03Å; V97-R100 PolarHBondContact O-N 2.9Å; T98-R100 PolarHBondContact O-N 3.12Å; R100-L103 PolarHBondContact O-N 2.83Å; R100-V104 WeakPolarHBondContact O-CB 3.21Å; R100-V104 VanDerWaalsContact O-CG2 3.29Å; R100-V104 WeakPolarHBondContact O-CG2 3.25Å; R100-V104 PolarHBondContact O-N 2.92Å |
| 101 | E | 94.7 | Very high | 93.8 | Very high | 112 Ų | 112 | 102 Ų | 102 | 52% | 0.523 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.3 | -44.1 | 176.9 | -67.9 | 168.9 | 156.6 | 0 | 0 | 111.1 | V97 T98 V104 S105 | V97-E101 HydrophobicContact CG1-CG 4.44Å; V97-E101 WeakPolarHBondContact O-CG 3.44Å; V97-E101 PolarHBondContact O-N 2.89Å; T98-E101 WeakPolarHBondContact O-CB 3.4Å; T98-E101 PolarHBondContact O-N 3.47Å; E101-V104 PolarHBondContact O-N 3.43Å; E101-S105 WeakPolarHBondContact O-CB 3.35Å; E101-S105 PolarHBondContact O-N 3.38Å; E101-S105 PolarHBondContact O-OG 3.39Å |
| 102 | D | 93.3 | Very high | 94.1 | Very high | 90 Ų | 90 | 101.6 Ų | 101.6 | 48% | 0.481 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.2 | -47.9 | 173.3 | -69.5 | -31.3 | 0 | 0 | 0 | 111.5 | T98 V104 S105 E106 | T98-D102 PolarHBondContact O-N 3.15Å; D102-V104 PolarHBondContact O-N 3.42Å; D102-S105 WeakPolarHBondContact O-CB 3.37Å; D102-S105 PolarHBondContact O-N 3.3Å; D102-S105 VanDerWaalsContact O-N 3.16Å; D102-E106 PolarHBondContact O-N 3.01Å |
| 103 | L | 95.6 | Very high | 94.5 | Very high | 126 Ų | 126 | 103.9 Ų | 103.9 | 66% | 0.66 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.6 | -38.7 | 179.6 | -179.7 | 63.8 | 0 | 0 | 0 | 112.4 | L99 R100 K107 | L99-L103 WeakPolarHBondContact O-CB 3.39Å; L99-L103 PolarHBondContact O-N 3.04Å; R100-L103 PolarHBondContact O-N 2.83Å; L103-K107 VanDerWaalsContact O-CB 3.23Å; L103-K107 WeakPolarHBondContact O-CB 3.45Å; L103-K107 PolarHBondContact O-N 3.33Å |
| 104 | V | 97.8 | Very high | 94.6 | Very high | 86 Ų | 86 | 102.3 Ų | 102.3 | 52% | 0.521 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67 | -41 | 173.4 | 168 | 0 | 0 | 0 | 0 | 110.6 | R100 E101 D102 K107 L108 | R100-V104 WeakPolarHBondContact O-CB 3.21Å; R100-V104 VanDerWaalsContact O-CG2 3.29Å; R100-V104 WeakPolarHBondContact O-CG2 3.25Å; R100-V104 PolarHBondContact O-N 2.92Å; E101-V104 PolarHBondContact O-N 3.43Å; D102-V104 PolarHBondContact O-N 3.42Å; V104-K107 PolarHBondContact O-N 3.1Å; V104-L108 HydrophobicContact CG1-CD1 3.97Å; V104-L108 HydrophobicContact CG1-CG 4.44Å; V104-L108 WeakPolarHBondContact O-CG 3.37Å; V104-L108 PolarHBondContact O-N 2.95Å |
| 105 | S | 93.7 | Very high | 94.8 | Very high | 70 Ų | 70 | 98.4 Ų | 98.4 | 49% | 0.49 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64 | -47.9 | 180 | -60 | 0 | 0 | 0 | 0 | 112.3 | E101 D102 K107 L108 K109 | E101-S105 WeakPolarHBondContact O-CB 3.35Å; E101-S105 PolarHBondContact O-N 3.38Å; E101-S105 PolarHBondContact O-OG 3.39Å; D102-S105 WeakPolarHBondContact O-CB 3.37Å; D102-S105 PolarHBondContact O-N 3.3Å; D102-S105 VanDerWaalsContact O-N 3.16Å; S105-K107 VanDerWaalsContact C-N 3.35Å; S105-L108 PolarHBondContact O-N 3.44Å; S105-K109 WeakPolarHBondContact O-CB 3.32Å; S105-K109 PolarHBondContact O-N 3.48Å |
| 106 | E | 95.3 | Very high | 95 | Very high | 98 Ų | 98 | 98.1 Ų | 98.1 | 46% | 0.458 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.4 | -30.4 | 174.6 | -78.9 | -63.4 | 169.2 | 0 | 0 | 112.7 | D102 K109 T110 | D102-E106 PolarHBondContact O-N 3.01Å; E106-K109 VanDerWaalsContact CD-NZ 3.26Å; E106-K109 PolarHBondContact O-N 3.37Å; E106-K109 IonicContact OE1-NZ 3.86Å; E106-K109 PolarHBondContact OE1-NZ 2.84Å; E106-K109 WeakPolarHBondContact OE2-CD 3.29Å; E106-K109 WeakPolarHBondContact OE2-CE 3.44Å; E106-K109 IonicContact OE2-NZ 3.79Å; E106-K109 PolarHBondContact OE2-NZ 3.08Å; E106-K109 VanDerWaalsContact OE2-NZ 3.08Å; E106-T110 VanDerWaalsContact O-CB 3.26Å; E106-T110 WeakPolarHBondContact O-CB 3.27Å; E106-T110 PolarHBondContact O-N 3.02Å; E106-T110 PolarHBondContact O-OG1 2.91Å |
| 107 | K | 97.4 | Very high | 95.1 | Very high | 155 Ų | 155 | 98 Ų | 98 | 67% | 0.674 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.2 | -42.4 | 172.4 | -172.6 | 175.5 | -178.7 | -179.3 | 0 | 111.8 | L103 V104 S105 T110 Q111 | L103-K107 VanDerWaalsContact O-CB 3.23Å; L103-K107 WeakPolarHBondContact O-CB 3.45Å; L103-K107 PolarHBondContact O-N 3.33Å; V104-K107 PolarHBondContact O-N 3.1Å; S105-K107 VanDerWaalsContact C-N 3.35Å; K107-T110 PolarHBondContact O-N 3.47Å; K107-Q111 WeakPolarHBondContact O-CB 3.4Å; K107-Q111 PolarHBondContact O-N 3.24Å |
| 108 | L | 95.3 | Very high | 95.1 | Very high | 104 Ų | 104 | 100.3 Ų | 100.3 | 55% | 0.545 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.7 | -42.7 | 174.6 | -73.6 | 169.4 | 0 | 0 | 0 | 111.8 | V104 S105 Q111 Q112 | V104-L108 HydrophobicContact CG1-CD1 3.97Å; V104-L108 HydrophobicContact CG1-CG 4.44Å; V104-L108 WeakPolarHBondContact O-CG 3.37Å; V104-L108 PolarHBondContact O-N 2.95Å; S105-L108 PolarHBondContact O-N 3.44Å; L108-Q111 PolarHBondContact O-N 2.86Å; L108-Q112 WeakPolarHBondContact O-CB 3.4Å; L108-Q112 PolarHBondContact O-N 3.05Å |
| 109 | K | 96.7 | Very high | 95.3 | Very high | 128 Ų | 128 | 102.1 Ų | 102.1 | 56% | 0.557 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.1 | -40.5 | 176.5 | 179.9 | 175.2 | 148.6 | -147.6 | 0 | 112.5 | S105 E106 Q112 M113 | S105-K109 WeakPolarHBondContact O-CB 3.32Å; S105-K109 PolarHBondContact O-N 3.48Å; E106-K109 VanDerWaalsContact CD-NZ 3.26Å; E106-K109 PolarHBondContact O-N 3.37Å; E106-K109 IonicContact OE1-NZ 3.86Å; E106-K109 PolarHBondContact OE1-NZ 2.84Å; E106-K109 WeakPolarHBondContact OE2-CD 3.29Å; E106-K109 WeakPolarHBondContact OE2-CE 3.44Å; E106-K109 IonicContact OE2-NZ 3.79Å; E106-K109 PolarHBondContact OE2-NZ 3.08Å; E106-K109 VanDerWaalsContact OE2-NZ 3.08Å; K109-Q112 PolarHBondContact O-N 3.23Å; K109-M113 WeakPolarHBondContact O-CB 3.49Å; K109-M113 PolarHBondContact O-N 2.95Å |
| 110 | T | 95.2 | Very high | 95.2 | Very high | 74 Ų | 74 | 101.4 Ų | 101.4 | 45% | 0.454 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.2 | -43.8 | 172.3 | -57.8 | 0 | 0 | 0 | 0 | 111 | E106 K107 Q112 M113 N114 | E106-T110 VanDerWaalsContact O-CB 3.26Å; E106-T110 WeakPolarHBondContact O-CB 3.27Å; E106-T110 PolarHBondContact O-N 3.02Å; E106-T110 PolarHBondContact O-OG1 2.91Å; K107-T110 PolarHBondContact O-N 3.47Å; T110-Q112 PolarHBondContact O-N 3.45Å; T110-M113 PolarHBondContact O-N 2.9Å; T110-N114 PolarHBondContact O-N 3.25Å |
| 111 | Q | 96.3 | Very high | 94.9 | Very high | 107 Ų | 107 | 97.1 Ų | 97.1 | 50% | 0.5 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.1 | -41.2 | 175.5 | -174.7 | 176.4 | -0.6 | 0 | 0 | 111.7 | K107 L108 N114 N115 | K107-Q111 WeakPolarHBondContact O-CB 3.4Å; K107-Q111 PolarHBondContact O-N 3.24Å; L108-Q111 PolarHBondContact O-N 2.86Å; Q111-N114 PolarHBondContact O-N 2.82Å; Q111-N115 PolarHBondContact O-N 3.33Å; Q111-N115 PolarHBondContact O-ND2 3.09Å; Q111-N115 PolarHBondContact O-OD1 3.46Å |
| 112 | Q | 95.8 | Very high | 94.6 | Very high | 88 Ų | 88 | 96.7 Ų | 96.7 | 41% | 0.411 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.7 | -44.5 | 175.3 | -178.5 | 58 | 32.1 | 0 | 0 | 111.7 | L108 K109 T110 N114 N115 D116 | L108-Q112 WeakPolarHBondContact O-CB 3.4Å; L108-Q112 PolarHBondContact O-N 3.05Å; K109-Q112 PolarHBondContact O-N 3.23Å; T110-Q112 PolarHBondContact O-N 3.45Å; Q112-N114 VanDerWaalsContact C-N 3.31Å; Q112-N114 PolarHBondContact O-N 3.29Å; Q112-N115 WeakPolarHBondContact O-CB 3.43Å; Q112-N115 PolarHBondContact O-N 2.87Å; Q112-D116 VanDerWaalsContact NE2-CG 3.26Å; Q112-D116 PolarHBondContact NE2-OD1 3.42Å; Q112-D116 VanDerWaalsContact NE2-OD1 3.14Å; Q112-D116 PolarHBondContact NE2-OD2 3.07Å; Q112-D116 PolarHBondContact O-N 3.48Å |
| 113 | M | 95.4 | Very high | 94.4 | Very high | 125 Ų | 125 | 97.5 Ų | 97.5 | 62% | 0.616 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.9 | -39.4 | 175.2 | -176.3 | 172.5 | 173.6 | 0 | 0 | 112 | K109 T110 D116 L117 | K109-M113 WeakPolarHBondContact O-CB 3.49Å; K109-M113 PolarHBondContact O-N 2.95Å; T110-M113 PolarHBondContact O-N 2.9Å; M113-D116 PolarHBondContact O-N 3.32Å; M113-L117 HydrophobicContact CE-CD1 4.45Å; M113-L117 HydrophobicContact CG-CD1 4.28Å; M113-L117 WeakPolarHBondContact O-CB 3.3Å; M113-L117 VanDerWaalsContact O-CG 3.29Å; M113-L117 WeakPolarHBondContact O-CG 3.49Å; M113-L117 PolarHBondContact O-N 3.46Å |
| 114 | N | 95.9 | Very high | 93.9 | Very high | 79 Ų | 79 | 94.8 Ų | 94.8 | 42% | 0.422 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.4 | -45.5 | 173.2 | -71.2 | -7.8 | 0 | 0 | 0 | 111.9 | T110 Q111 Q112 D116 L117 E118 | T110-N114 PolarHBondContact O-N 3.25Å; Q111-N114 PolarHBondContact O-N 2.82Å; Q112-N114 VanDerWaalsContact C-N 3.31Å; Q112-N114 PolarHBondContact O-N 3.29Å; N114-D116 PolarHBondContact O-N 2.79Å; N114-L117 PolarHBondContact O-N 2.65Å; N114-E118 WeakPolarHBondContact O-CG 3.39Å; N114-E118 PolarHBondContact O-N 3.07Å |
| 115 | N | 96.4 | Very high | 93.3 | Very high | 56 Ų | 56 | 94.7 Ų | 94.7 | 30% | 0.299 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -57.7 | -38.2 | 176 | -63 | -23.1 | 0 | 0 | 0 | 111.8 | Q111 Q112 K119 | Q111-N115 PolarHBondContact O-N 3.33Å; Q111-N115 PolarHBondContact O-ND2 3.09Å; Q111-N115 PolarHBondContact O-OD1 3.46Å; Q112-N115 WeakPolarHBondContact O-CB 3.43Å; Q112-N115 PolarHBondContact O-N 2.87Å; N115-K119 VanDerWaalsContact O-CG 3.29Å; N115-K119 WeakPolarHBondContact O-CG 3.39Å; N115-K119 PolarHBondContact O-N 3.16Å |
| 116 | D | 95.8 | Very high | 92.9 | Very high | 67 Ų | 67 | 99.5 Ų | 99.5 | 36% | 0.358 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -78.4 | -33 | 179.9 | -66.8 | -28.3 | 0 | 0 | 0 | 112.3 | Q112 M113 N114 K119 L120 | Q112-D116 VanDerWaalsContact NE2-CG 3.26Å; Q112-D116 PolarHBondContact NE2-OD1 3.42Å; Q112-D116 VanDerWaalsContact NE2-OD1 3.14Å; Q112-D116 PolarHBondContact NE2-OD2 3.07Å; Q112-D116 PolarHBondContact O-N 3.48Å; M113-D116 PolarHBondContact O-N 3.32Å; N114-D116 PolarHBondContact O-N 2.79Å; D116-K119 PolarHBondContact O-N 2.75Å; D116-K119 IonicContact OD1-NZ 3.99Å; D116-K119 PolarHBondContact OD1-NZ 3.24Å; D116-L120 WeakPolarHBondContact O-CB 3.44Å; D116-L120 PolarHBondContact O-N 3.17Å |
| 117 | L | 94.3 | Very high | 92.2 | Very high | 86 Ų | 86 | 101 Ų | 101 | 45% | 0.45 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.6 | -40.4 | 167.1 | -76.3 | 168.4 | 0 | 0 | 0 | 112 | M113 N114 L120 T121 | M113-L117 HydrophobicContact CE-CD1 4.45Å; M113-L117 HydrophobicContact CG-CD1 4.28Å; M113-L117 WeakPolarHBondContact O-CB 3.3Å; M113-L117 VanDerWaalsContact O-CG 3.29Å; M113-L117 WeakPolarHBondContact O-CG 3.49Å; M113-L117 PolarHBondContact O-N 3.46Å; N114-L117 PolarHBondContact O-N 2.65Å; L117-L120 PolarHBondContact O-N 3.34Å; L117-T121 WeakPolarHBondContact O-CB 3.49Å; L117-T121 PolarHBondContact O-N 3.43Å; L117-T121 PolarHBondContact O-OG1 2.77Å |
| 118 | E | 93.8 | Very high | 90.7 | Very high | 114 Ų | 114 | 95.6 Ų | 95.6 | 53% | 0.533 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.5 | -45.5 | 174.8 | -77.1 | 176.4 | -162.5 | 0 | 0 | 111.3 | N114 T121 H122 | N114-E118 WeakPolarHBondContact O-CG 3.39Å; N114-E118 PolarHBondContact O-N 3.07Å; E118-T121 PolarHBondContact O-N 2.97Å; E118-H122 PolarHBondContact O-N 3.44Å; E118-H122 PolarHBondContact O-ND1 3.09Å |
| 119 | K | 94.1 | Very high | 89.4 | Confident | 108 Ų | 108 | 94.8 Ų | 94.8 | 47% | 0.47 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -58.2 | -50.7 | 173.8 | -70.6 | 165.9 | -157.6 | 164.8 | 0 | 111.6 | N115 D116 T121 H122 E123 | N115-K119 VanDerWaalsContact O-CG 3.29Å; N115-K119 WeakPolarHBondContact O-CG 3.39Å; N115-K119 PolarHBondContact O-N 3.16Å; D116-K119 PolarHBondContact O-N 2.75Å; D116-K119 IonicContact OD1-NZ 3.99Å; D116-K119 PolarHBondContact OD1-NZ 3.24Å; K119-T121 VanDerWaalsContact C-N 3.26Å; K119-T121 PolarHBondContact O-N 2.97Å; K119-H122 PolarHBondContact O-N 2.95Å; K119-H122 VanDerWaalsContact O-N 3.15Å; K119-E123 WeakPolarHBondContact O-CG 3.48Å; K119-E123 PolarHBondContact O-N 3.45Å |
| 120 | L | 91.1 | Very high | 88.1 | Confident | 94 Ų | 94 | 89.8 Ų | 89.8 | 49% | 0.492 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.5 | -37.2 | -179.8 | -176.2 | 63.3 | 0 | 0 | 0 | 111.4 | D116 L117 E123 L124 | D116-L120 WeakPolarHBondContact O-CB 3.44Å; D116-L120 PolarHBondContact O-N 3.17Å; L117-L120 PolarHBondContact O-N 3.34Å; L120-E123 PolarHBondContact O-N 2.93Å; L120-L124 HydrophobicContact CG-CD1 4.32Å; L120-L124 WeakPolarHBondContact O-CB 3.49Å; L120-L124 VanDerWaalsContact O-CG 3.27Å; L120-L124 WeakPolarHBondContact O-CG 3.38Å; L120-L124 PolarHBondContact O-N 3.48Å |
| 121 | T | 88.6 | Confident | 86.8 | Confident | 72 Ų | 72 | 94.4 Ų | 94.4 | 44% | 0.442 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.2 | -50.5 | 173.2 | -57 | 0 | 0 | 0 | 0 | 110.6 | L117 E118 K119 E123 L124 E125 | L117-T121 WeakPolarHBondContact O-CB 3.49Å; L117-T121 PolarHBondContact O-N 3.43Å; L117-T121 PolarHBondContact O-OG1 2.77Å; E118-T121 PolarHBondContact O-N 2.97Å; K119-T121 VanDerWaalsContact C-N 3.26Å; K119-T121 PolarHBondContact O-N 2.97Å; T121-E123 VanDerWaalsContact C-N 3.27Å; T121-E123 PolarHBondContact O-N 3.07Å; T121-L124 PolarHBondContact O-N 3.2Å; T121-E125 WeakPolarHBondContact O-CG 3.25Å; T121-E125 PolarHBondContact O-N 2.99Å |
| 122 | H | 89.1 | Confident | 85.3 | Confident | 103 Ų | 103 | 96.5 Ų | 96.5 | 48% | 0.477 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.3 | -30.3 | 176.3 | -74.2 | 86.1 | 0 | 0 | 0 | 113.3 | E118 K119 K126 | E118-H122 PolarHBondContact O-N 3.44Å; E118-H122 PolarHBondContact O-ND1 3.09Å; K119-H122 PolarHBondContact O-N 2.95Å; K119-H122 VanDerWaalsContact O-N 3.15Å; H122-K126 WeakPolarHBondContact O-CB 3.32Å; H122-K126 WeakPolarHBondContact O-CD 3.42Å; H122-K126 WeakPolarHBondContact O-CG 3.44Å; H122-K126 PolarHBondContact O-N 2.93Å |
| 123 | E | 89.3 | Confident | 83.6 | Confident | 107 Ų | 107 | 100.8 Ų | 100.8 | 50% | 0.5 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -72.5 | -43.3 | 174.5 | -74.9 | 179 | -178.3 | 0 | 0 | 111.9 | K119 L120 T121 E125 K126 I127 | K119-E123 WeakPolarHBondContact O-CG 3.48Å; K119-E123 PolarHBondContact O-N 3.45Å; L120-E123 PolarHBondContact O-N 2.93Å; T121-E123 VanDerWaalsContact C-N 3.27Å; T121-E123 PolarHBondContact O-N 3.07Å; E123-E125 VanDerWaalsContact C-N 3.33Å; E123-E125 PolarHBondContact O-N 3.42Å; E123-K126 PolarHBondContact O-N 2.9Å; E123-I127 WeakPolarHBondContact O-CD1 3.43Å; E123-I127 VanDerWaalsContact O-CG1 3.29Å; E123-I127 WeakPolarHBondContact O-CG1 3.46Å; E123-I127 PolarHBondContact O-N 3.38Å |
| 124 | L | 85 | Confident | 81.9 | Confident | 70 Ų | 70 | 99 Ų | 99 | 37% | 0.366 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.1 | -44.2 | 171.3 | -71.4 | 167.3 | 0 | 0 | 0 | 111.1 | L120 T121 K126 I127 G128 L129 | L120-L124 HydrophobicContact CG-CD1 4.32Å; L120-L124 WeakPolarHBondContact O-CB 3.49Å; L120-L124 VanDerWaalsContact O-CG 3.27Å; L120-L124 WeakPolarHBondContact O-CG 3.38Å; L120-L124 PolarHBondContact O-N 3.48Å; T121-L124 PolarHBondContact O-N 3.2Å; L124-K126 PolarHBondContact O-N 3.02Å; L124-I127 CarbonylContact O-C 3.55Å; L124-I127 PolarHBondContact O-N 3.02Å; L124-G128 PolarHBondContact O-N 3.48Å; L124-G128 VanDerWaalsContact O-N 3.11Å; L124-L129 HydrophobicContact CB-CB 4.25Å; L124-L129 HydrophobicContact CD2-CB 4.2Å; L124-L129 HydrophobicContact CD2-CD1 3.99Å; L124-L129 CarbonylContact O-C 3.52Å; L124-L129 WeakPolarHBondContact O-CA 3.45Å; L124-L129 PolarHBondContact O-N 3.5Å |
| 125 | E | 85 | Confident | 80.2 | Confident | 83 Ų | 83 | 99.9 Ų | 99.9 | 39% | 0.388 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.1 | -43.1 | 175 | -69.9 | -168.8 | 148.5 | 0 | 0 | 113.2 | T121 E123 I127 G128 N130 | T121-E125 WeakPolarHBondContact O-CG 3.25Å; T121-E125 PolarHBondContact O-N 2.99Å; E123-E125 VanDerWaalsContact C-N 3.33Å; E123-E125 PolarHBondContact O-N 3.42Å; E125-I127 VanDerWaalsContact C-N 3.26Å; E125-I127 PolarHBondContact O-N 3.35Å; E125-G128 WeakPolarHBondContact O-CA 3.33Å; E125-G128 PolarHBondContact O-N 2.85Å; E125-N130 HydrophobicContact CB-CB 4.5Å; E125-N130 HydrophobicContact CG-CB 3.9Å; E125-N130 PolarHBondContact OE1-ND2 3.47Å |
| 126 | K | 84.6 | Confident | 78.2 | Confident | 171 Ų | 171 | 104 Ų | 104 | 74% | 0.743 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.4 | -32.7 | 174.9 | -75.8 | 164.8 | -173.1 | 168.8 | 0 | 112.8 | H122 E123 L124 G128 | H122-K126 WeakPolarHBondContact O-CB 3.32Å; H122-K126 WeakPolarHBondContact O-CD 3.42Å; H122-K126 WeakPolarHBondContact O-CG 3.44Å; H122-K126 PolarHBondContact O-N 2.93Å; E123-K126 PolarHBondContact O-N 2.9Å; L124-K126 PolarHBondContact O-N 3.02Å; K126-G128 PolarHBondContact O-N 3.21Å |
| 127 | I | 81.2 | Confident | 76.1 | Confident | 129 Ų | 129 | 104.7 Ų | 104.7 | 66% | 0.662 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -7.7 | 174.9 | -66.4 | 165.6 | 0 | 0 | 0 | 111.3 | E123 L124 E125 L129 | E123-I127 WeakPolarHBondContact O-CD1 3.43Å; E123-I127 VanDerWaalsContact O-CG1 3.29Å; E123-I127 WeakPolarHBondContact O-CG1 3.46Å; E123-I127 PolarHBondContact O-N 3.38Å; L124-I127 CarbonylContact O-C 3.55Å; L124-I127 PolarHBondContact O-N 3.02Å; E125-I127 VanDerWaalsContact C-N 3.26Å; E125-I127 PolarHBondContact O-N 3.35Å; I127-L129 HydrophobicContact CG2-CD1 4.2Å; I127-L129 HydrophobicContact CG2-CG 4.3Å |
| 128 | G | 66.8 | Low | 74.2 | Confident | 42 Ų | 42 | 107 Ų | 107 | 43% | 0.433 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.2 | -7.6 | 180 | 0 | 0 | 0 | 0 | 0 | 114.2 | L124 E125 K126 N130 | L124-G128 PolarHBondContact O-N 3.48Å; L124-G128 VanDerWaalsContact O-N 3.11Å; E125-G128 WeakPolarHBondContact O-CA 3.33Å; E125-G128 PolarHBondContact O-N 2.85Å; K126-G128 PolarHBondContact O-N 3.21Å; G128-N130 PolarHBondContact O-N 3.38Å |
| 129 | L | 66.5 | Low | 72.3 | Confident | 87 Ų | 87 | 108.5 Ų | 108.5 | 46% | 0.455 | 53% | 0.526 | S | S | . | . | trans | -81.3 | 46.1 | 178.7 | -60.8 | 175.2 | 0 | 0 | 0 | 112.2 | L124 I127 K131 L134 | L124-L129 HydrophobicContact CB-CB 4.25Å; L124-L129 HydrophobicContact CD2-CB 4.2Å; L124-L129 HydrophobicContact CD2-CD1 3.99Å; L124-L129 CarbonylContact O-C 3.52Å; L124-L129 WeakPolarHBondContact O-CA 3.45Å; L124-L129 PolarHBondContact O-N 3.5Å; I127-L129 HydrophobicContact CG2-CD1 4.2Å; I127-L129 HydrophobicContact CG2-CG 4.3Å; L129-K131 PolarHBondContact O-N 2.94Å; L129-L134 HydrophobicContact CD2-CD1 3.96Å | ||
| 130 | N | 70.3 | Confident | 70.5 | Confident | 24 Ų | 24 | 106 Ų | 106 | 13% | 0.128 | 52% | 0.522 | C | S | . | . | trans | -66.1 | 130.4 | 169.9 | 171 | -62.6 | 0 | 0 | 0 | 109 | E125 G128 E132 R133 L134 | E125-N130 HydrophobicContact CB-CB 4.5Å; E125-N130 HydrophobicContact CG-CB 3.9Å; E125-N130 PolarHBondContact OE1-ND2 3.47Å; G128-N130 PolarHBondContact O-N 3.38Å; N130-E132 PolarHBondContact O-N 3.2Å; N130-E132 WeakPolarHBondContact OD1-CA 3.31Å; N130-E132 WeakPolarHBondContact OD1-CB 3.48Å; N130-E132 PolarHBondContact OD1-N 3.15Å; N130-R133 HydrophobicContact CB-CB 4.08Å; N130-R133 HydrophobicContact CB-CG 4Å; N130-R133 PolarHBondContact O-N 3.35Å; N130-R133 PolarHBondContact OD1-N 2.98Å; N130-L134 PolarHBondContact O-N 3.3Å | ||
| 131 | K | 66.8 | Low | 69 | Low | 171 Ų | 171 | 103.8 Ų | 103.8 | 74% | 0.743 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.2 | -39.5 | -174.6 | -176.1 | -179.2 | 176.7 | -175.1 | 0 | 113.6 | L129 L135 | L129-K131 PolarHBondContact O-N 2.94Å; K131-L135 WeakPolarHBondContact O-CG 3.41Å; K131-L135 PolarHBondContact O-N 3.38Å |
| 132 | E | 66.1 | Low | 67.8 | Low | 151 Ų | 151 | 104.5 Ų | 104.5 | 71% | 0.706 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -71.1 | -36.6 | 177.3 | -58.1 | -174.2 | 148.8 | 0 | 0 | 111 | N130 L135 H136 | N130-E132 PolarHBondContact O-N 3.2Å; N130-E132 WeakPolarHBondContact OD1-CA 3.31Å; N130-E132 WeakPolarHBondContact OD1-CB 3.48Å; N130-E132 PolarHBondContact OD1-N 3.15Å; E132-L135 PolarHBondContact O-N 2.88Å; E132-H136 PolarHBondContact O-N 3.03Å; E132-H136 VanDerWaalsContact O-N 3.09Å |
| 133 | R | 60 | Low | 66.6 | Low | 178 Ų | 178 | 104.2 Ų | 104.2 | 67% | 0.672 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67 | -38.7 | 173.8 | -66.3 | -171.4 | -177 | -179.5 | 0.7 | 112.7 | N130 L135 H136 D137 | N130-R133 HydrophobicContact CB-CB 4.08Å; N130-R133 HydrophobicContact CB-CG 4Å; N130-R133 PolarHBondContact O-N 3.35Å; N130-R133 PolarHBondContact OD1-N 2.98Å; R133-L135 VanDerWaalsContact C-N 3.33Å; R133-L135 PolarHBondContact O-N 2.93Å; R133-H136 CarbonylContact O-C 3.59Å; R133-H136 PolarHBondContact O-N 3.45Å; R133-D137 WeakPolarHBondContact O-CB 3.33Å; R133-D137 PolarHBondContact O-N 2.88Å |
| 134 | L | 58.7 | Low | 65.4 | Low | 87 Ų | 87 | 106.1 Ų | 106.1 | 46% | 0.455 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.2 | -40.8 | 174.5 | -108.1 | 70.5 | 0 | 0 | 0 | 112 | L129 N130 H136 D137 E138 | L129-L134 HydrophobicContact CD2-CD1 3.96Å; N130-L134 PolarHBondContact O-N 3.3Å; L134-H136 VanDerWaalsContact C-N 3.27Å; L134-H136 PolarHBondContact O-N 3Å; L134-D137 PolarHBondContact O-N 3.17Å; L134-D137 VanDerWaalsContact O-N 3.13Å; L134-E138 PolarHBondContact O-N 3.04Å; L134-E138 VanDerWaalsContact O-N 3.16Å |
| 135 | L | 60 | Low | 64.8 | Low | 98 Ų | 98 | 109.5 Ų | 109.5 | 51% | 0.513 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.4 | -26.1 | 175.5 | -70.7 | 165.6 | 0 | 0 | 0 | 112.7 | K131 E132 R133 | K131-L135 WeakPolarHBondContact O-CG 3.41Å; K131-L135 PolarHBondContact O-N 3.38Å; E132-L135 PolarHBondContact O-N 2.88Å; R133-L135 VanDerWaalsContact C-N 3.33Å; R133-L135 PolarHBondContact O-N 2.93Å |
| 136 | H | 55.2 | Low | 64.5 | Low | 142 Ų | 142 | 110 Ų | 110 | 66% | 0.657 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -81 | -30.5 | 167.4 | -100.9 | 30.2 | 0 | 0 | 0 | 113.5 | E132 R133 L134 E138 Q139 S140 | E132-H136 PolarHBondContact O-N 3.03Å; E132-H136 VanDerWaalsContact O-N 3.09Å; R133-H136 CarbonylContact O-C 3.59Å; R133-H136 PolarHBondContact O-N 3.45Å; L134-H136 VanDerWaalsContact C-N 3.27Å; L134-H136 PolarHBondContact O-N 3Å; H136-E138 VanDerWaalsContact C-N 3.3Å; H136-E138 PolarHBondContact O-N 3.29Å; H136-Q139 WeakPolarHBondContact O-CB 3.4Å; H136-Q139 PolarHBondContact O-N 3.26Å; H136-Q139 VanDerWaalsContact O-N 3.09Å; H136-S140 PolarHBondContact O-N 3.05Å |
| 137 | D | 51.3 | Low | 64 | Low | 82 Ų | 82 | 106.7 Ų | 106.7 | 44% | 0.439 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70.1 | -27.7 | -179.9 | -160 | 51.8 | 0 | 0 | 0 | 111.7 | R133 L134 Q139 S140 T141 | R133-D137 WeakPolarHBondContact O-CB 3.33Å; R133-D137 PolarHBondContact O-N 2.88Å; L134-D137 PolarHBondContact O-N 3.17Å; L134-D137 VanDerWaalsContact O-N 3.13Å; D137-Q139 VanDerWaalsContact C-N 3.3Å; D137-Q139 PolarHBondContact O-N 3.05Å; D137-S140 CarbonylContact O-C 3.59Å; D137-S140 WeakPolarHBondContact O-CA 3.48Å; D137-S140 WeakPolarHBondContact O-CB 3.45Å; D137-S140 PolarHBondContact O-N 2.73Å; D137-T141 WeakPolarHBondContact O-CG2 3.46Å; D137-T141 PolarHBondContact O-N 3.22Å |
| 138 | E | 53.8 | Low | 63.9 | Low | 135 Ų | 135 | 105.6 Ų | 105.6 | 63% | 0.631 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -56.8 | -41.4 | 166.6 | -74.3 | -166.2 | 130 | 0 | 0 | 112.1 | L134 H136 T141 | L134-E138 PolarHBondContact O-N 3.04Å; L134-E138 VanDerWaalsContact O-N 3.16Å; H136-E138 VanDerWaalsContact C-N 3.3Å; H136-E138 PolarHBondContact O-N 3.29Å; E138-T141 PolarHBondContact O-OG1 3.13Å |
| 139 | Q | 54.1 | Low | 64.5 | Low | 144 Ų | 144 | 110.1 Ų | 110.1 | 67% | 0.673 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.3 | -36.5 | 170.2 | -103.6 | 86.9 | 81 | 0 | 0 | 112.5 | H136 D137 T141 | H136-Q139 WeakPolarHBondContact O-CB 3.4Å; H136-Q139 PolarHBondContact O-N 3.26Å; H136-Q139 VanDerWaalsContact O-N 3.09Å; D137-Q139 VanDerWaalsContact C-N 3.3Å; D137-Q139 PolarHBondContact O-N 3.05Å; Q139-T141 VanDerWaalsContact C-N 3.26Å; Q139-T141 PolarHBondContact O-N 3.04Å |
| 140 | S | 56.6 | Low | 65.3 | Low | 55 Ų | 55 | 109.2 Ų | 109.2 | 39% | 0.385 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -71 | -15.8 | -179.3 | -163.8 | 0 | 0 | 0 | 0 | 114 | H136 D137 D142 D143 R144 | H136-S140 PolarHBondContact O-N 3.05Å; D137-S140 CarbonylContact O-C 3.59Å; D137-S140 WeakPolarHBondContact O-CA 3.48Å; D137-S140 WeakPolarHBondContact O-CB 3.45Å; D137-S140 PolarHBondContact O-N 2.73Å; S140-D142 PolarHBondContact O-N 3.29Å; S140-D143 PolarHBondContact O-N 3.46Å; S140-R144 PolarHBondContact O-N 2.83Å |
| 141 | T | 59 | Low | 66 | Low | 48 Ų | 48 | 114.2 Ų | 114.2 | 29% | 0.294 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -55.9 | -35.4 | 178.7 | 58.9 | 0 | 0 | 0 | 0 | 113.4 | D137 E138 Q139 R144 Y145 | D137-T141 WeakPolarHBondContact O-CG2 3.46Å; D137-T141 PolarHBondContact O-N 3.22Å; E138-T141 PolarHBondContact O-OG1 3.13Å; Q139-T141 VanDerWaalsContact C-N 3.26Å; Q139-T141 PolarHBondContact O-N 3.04Å; T141-R144 WeakPolarHBondContact O-CB 3.36Å; T141-R144 PolarHBondContact O-N 3.1Å; T141-Y145 WeakPolarHBondContact O-CD2 3.33Å; T141-Y145 PolarHBondContact O-N 3.21Å |
| 142 | D | 64.2 | Low | 66.9 | Low | 88 Ų | 88 | 111 Ų | 111 | 47% | 0.471 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61 | -48 | 178.8 | -177 | 35.2 | 0 | 0 | 0 | 112.1 | S140 R144 Y145 K146 | S140-D142 PolarHBondContact O-N 3.29Å; D142-R144 VanDerWaalsContact C-N 3.29Å; D142-R144 PolarHBondContact O-N 3.04Å; D142-Y145 PolarHBondContact O-N 2.96Å; D142-Y145 VanDerWaalsContact O-N 3.13Å; D142-K146 VanDerWaalsContact CG-NZ 3.32Å; D142-K146 WeakPolarHBondContact O-CG 3.38Å; D142-K146 PolarHBondContact O-N 2.93Å; D142-K146 VanDerWaalsContact OD1-CE 3.27Å; D142-K146 WeakPolarHBondContact OD1-CE 3.46Å; D142-K146 IonicContact OD1-NZ 2.78Å; D142-K146 WeakPolarHBondContact OD2-CE 3.41Å; D142-K146 IonicContact OD2-NZ 3.22Å; D142-K146 PolarHBondContact OD2-NZ 3.06Å |
| 143 | D | 64.7 | Low | 68 | Low | 96 Ų | 96 | 110.2 Ų | 110.2 | 51% | 0.513 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.2 | -29.9 | 176.4 | -69.9 | -24.7 | 0 | 0 | 0 | 112.4 | S140 K146 L147 | S140-D143 PolarHBondContact O-N 3.46Å; D143-K146 IonicContact OD1-NZ 2.75Å; D143-K146 PolarHBondContact OD1-NZ 3.34Å; D143-L147 WeakPolarHBondContact O-CB 3.36Å; D143-L147 PolarHBondContact O-N 2.97Å |
| 144 | R | 64.1 | Low | 69.2 | Low | 147 Ų | 147 | 104.4 Ų | 104.4 | 56% | 0.555 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.3 | -36.7 | 171.5 | -162.6 | -178.1 | 73.1 | -164.8 | 1.8 | 112 | S140 T141 D142 L148 | S140-R144 PolarHBondContact O-N 2.83Å; T141-R144 WeakPolarHBondContact O-CB 3.36Å; T141-R144 PolarHBondContact O-N 3.1Å; D142-R144 VanDerWaalsContact C-N 3.29Å; D142-R144 PolarHBondContact O-N 3.04Å; R144-L148 WeakPolarHBondContact O-CB 3.44Å; R144-L148 PolarHBondContact O-N 3.19Å; R144-L148 VanDerWaalsContact O-N 3.16Å |
| 145 | Y | 72.3 | Confident | 70.7 | Confident | 141 Ų | 141 | 104.8 Ų | 104.8 | 55% | 0.553 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -69.5 | -47.1 | 173.9 | -72.7 | -61.4 | 0 | 0 | 0 | 111.7 | T141 D142 L147 L148 E149 | T141-Y145 WeakPolarHBondContact O-CD2 3.33Å; T141-Y145 PolarHBondContact O-N 3.21Å; D142-Y145 PolarHBondContact O-N 2.96Å; D142-Y145 VanDerWaalsContact O-N 3.13Å; Y145-L147 VanDerWaalsContact C-N 3.31Å; Y145-L147 PolarHBondContact O-N 3.01Å; Y145-L148 WeakPolarHBondContact O-CB 3.08Å; Y145-L148 PolarHBondContact O-N 2.78Å; Y145-E149 WeakPolarHBondContact O-CB 3.37Å; Y145-E149 PolarHBondContact O-N 2.87Å |
| 146 | K | 78.1 | Confident | 72.1 | Confident | 94 Ų | 94 | 105.2 Ų | 105.2 | 41% | 0.409 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -56.4 | -42.1 | 175.3 | -65.1 | 168.2 | -159.2 | 153.1 | 0 | 112.6 | D142 D143 L148 E149 S150 | D142-K146 VanDerWaalsContact CG-NZ 3.32Å; D142-K146 WeakPolarHBondContact O-CG 3.38Å; D142-K146 PolarHBondContact O-N 2.93Å; D142-K146 VanDerWaalsContact OD1-CE 3.27Å; D142-K146 WeakPolarHBondContact OD1-CE 3.46Å; D142-K146 IonicContact OD1-NZ 2.78Å; D142-K146 WeakPolarHBondContact OD2-CE 3.41Å; D142-K146 IonicContact OD2-NZ 3.22Å; D142-K146 PolarHBondContact OD2-NZ 3.06Å; D143-K146 IonicContact OD1-NZ 2.75Å; D143-K146 PolarHBondContact OD1-NZ 3.34Å; K146-L148 VanDerWaalsContact C-N 3.34Å; K146-E149 PolarHBondContact O-N 3.11Å; K146-S150 WeakPolarHBondContact O-CB 3.31Å; K146-S150 PolarHBondContact O-N 3.28Å |
| 147 | L | 74.4 | Confident | 73.9 | Confident | 101 Ų | 101 | 105.1 Ų | 105.1 | 53% | 0.529 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.8 | -32.1 | 177.6 | -176.8 | 61.9 | 0 | 0 | 0 | 112.6 | D143 Y145 K151 | D143-L147 WeakPolarHBondContact O-CB 3.36Å; D143-L147 PolarHBondContact O-N 2.97Å; Y145-L147 VanDerWaalsContact C-N 3.31Å; Y145-L147 PolarHBondContact O-N 3.01Å; L147-K151 VanDerWaalsContact O-CG 3.31Å; L147-K151 WeakPolarHBondContact O-CG 3.47Å; L147-K151 PolarHBondContact O-N 3.47Å |
| 148 | L | 79.4 | Confident | 75.7 | Confident | 106 Ų | 106 | 107 Ų | 107 | 56% | 0.555 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -70.4 | -46.9 | 174 | -172.2 | 69.5 | 0 | 0 | 0 | 110.7 | R144 Y145 K146 K151 L152 | R144-L148 WeakPolarHBondContact O-CB 3.44Å; R144-L148 PolarHBondContact O-N 3.19Å; R144-L148 VanDerWaalsContact O-N 3.16Å; Y145-L148 WeakPolarHBondContact O-CB 3.08Å; Y145-L148 PolarHBondContact O-N 2.78Å; K146-L148 VanDerWaalsContact C-N 3.34Å; L148-K151 PolarHBondContact O-N 2.87Å; L148-L152 WeakPolarHBondContact O-CB 3.48Å; L148-L152 PolarHBondContact O-N 3.04Å |
| 149 | E | 78.9 | Confident | 77.4 | Confident | 138 Ų | 138 | 103 Ų | 103 | 65% | 0.645 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -58.5 | -50.7 | 177.9 | -174.6 | 167.8 | -136 | 0 | 0 | 111.4 | Y145 K146 K151 L152 E153 | Y145-E149 WeakPolarHBondContact O-CB 3.37Å; Y145-E149 PolarHBondContact O-N 2.87Å; K146-E149 PolarHBondContact O-N 3.11Å; E149-K151 VanDerWaalsContact C-N 3.3Å; E149-K151 PolarHBondContact O-N 3.32Å; E149-L152 WeakPolarHBondContact O-CB 3.43Å; E149-L152 PolarHBondContact O-N 3.42Å; E149-E153 WeakPolarHBondContact O-CB 3.5Å; E149-E153 PolarHBondContact O-N 3.29Å |
| 150 | S | 83.6 | Confident | 79.2 | Confident | 68 Ų | 68 | 100.8 Ų | 100.8 | 48% | 0.476 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.7 | -36 | 176.3 | -177.2 | 0 | 0 | 0 | 0 | 113.3 | K146 S154 | K146-S150 WeakPolarHBondContact O-CB 3.31Å; K146-S150 PolarHBondContact O-N 3.28Å; S150-S154 VanDerWaalsContact O-CB 3.27Å; S150-S154 WeakPolarHBondContact O-CB 3.39Å; S150-S154 PolarHBondContact O-N 3.18Å |
| 151 | K | 85.3 | Confident | 80.9 | Confident | 128 Ų | 128 | 102.8 Ų | 102.8 | 56% | 0.557 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -68.8 | -38.7 | 172.8 | -78.5 | 175.8 | 179.2 | 177.3 | 0 | 112.4 | L147 L148 E149 T155 | L147-K151 VanDerWaalsContact O-CG 3.31Å; L147-K151 WeakPolarHBondContact O-CG 3.47Å; L147-K151 PolarHBondContact O-N 3.47Å; L148-K151 PolarHBondContact O-N 2.87Å; E149-K151 VanDerWaalsContact C-N 3.3Å; E149-K151 PolarHBondContact O-N 3.32Å; K151-T155 WeakPolarHBondContact O-CB 3.41Å; K151-T155 PolarHBondContact O-N 2.9Å; K151-T155 PolarHBondContact O-OG1 2.92Å |
| 152 | L | 85.6 | Confident | 82.4 | Confident | 104 Ų | 104 | 105.6 Ų | 105.6 | 55% | 0.545 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -69 | -43.1 | -179.7 | -141.6 | 153.2 | 0 | 0 | 0 | 110.3 | L148 E149 T155 L156 | L148-L152 WeakPolarHBondContact O-CB 3.48Å; L148-L152 PolarHBondContact O-N 3.04Å; E149-L152 WeakPolarHBondContact O-CB 3.43Å; E149-L152 PolarHBondContact O-N 3.42Å; L152-T155 PolarHBondContact O-N 3.02Å; L152-L156 HydrophobicContact CD2-CD1 3.88Å; L152-L156 HydrophobicContact CD2-CG 4.47Å; L152-L156 WeakPolarHBondContact O-CB 3.38Å; L152-L156 PolarHBondContact O-N 2.92Å |
| 153 | E | 88.2 | Confident | 83.7 | Confident | 135 Ų | 135 | 107.5 Ų | 107.5 | 63% | 0.631 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.7 | -46.3 | 172.2 | -172.3 | -178.4 | -143.1 | 0 | 0 | 112.1 | E149 T155 L156 K157 | E149-E153 WeakPolarHBondContact O-CB 3.5Å; E149-E153 PolarHBondContact O-N 3.29Å; E153-T155 VanDerWaalsContact C-N 3.29Å; E153-T155 PolarHBondContact O-N 2.87Å; E153-L156 PolarHBondContact O-N 3.22Å; E153-K157 WeakPolarHBondContact O-CB 3.38Å; E153-K157 PolarHBondContact O-N 3.26Å |
| 154 | S | 86.5 | Confident | 84.9 | Confident | 55 Ų | 55 | 108.4 Ų | 108.4 | 39% | 0.385 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.9 | -37.2 | 175.7 | -170.7 | 0 | 0 | 0 | 0 | 112.6 | S150 K158 | S150-S154 VanDerWaalsContact O-CB 3.27Å; S150-S154 WeakPolarHBondContact O-CB 3.39Å; S150-S154 PolarHBondContact O-N 3.18Å; S154-K158 WeakPolarHBondContact O-CG 3.24Å; S154-K158 PolarHBondContact O-N 2.94Å; S154-K158 VanDerWaalsContact O-N 3.15Å |
| 155 | T | 89.7 | Confident | 86.2 | Confident | 96 Ų | 96 | 107.5 Ų | 107.5 | 59% | 0.589 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -71.9 | -41.9 | 176.7 | -57.5 | 0 | 0 | 0 | 0 | 111.5 | K151 L152 E153 S159 | K151-T155 WeakPolarHBondContact O-CB 3.41Å; K151-T155 PolarHBondContact O-N 2.9Å; K151-T155 PolarHBondContact O-OG1 2.92Å; L152-T155 PolarHBondContact O-N 3.02Å; E153-T155 VanDerWaalsContact C-N 3.29Å; E153-T155 PolarHBondContact O-N 2.87Å; T155-S159 WeakPolarHBondContact O-CB 3.48Å; T155-S159 PolarHBondContact O-N 3.21Å |
| 156 | L | 89.7 | Confident | 87.3 | Confident | 107 Ų | 107 | 107.6 Ų | 107.6 | 56% | 0.56 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -59.8 | -48.2 | 173.2 | -89.1 | 164.9 | 0 | 0 | 0 | 111.4 | L152 E153 K158 S159 L160 | L152-L156 HydrophobicContact CD2-CD1 3.88Å; L152-L156 HydrophobicContact CD2-CG 4.47Å; L152-L156 WeakPolarHBondContact O-CB 3.38Å; L152-L156 PolarHBondContact O-N 2.92Å; E153-L156 PolarHBondContact O-N 3.22Å; L156-K158 PolarHBondContact O-N 3.41Å; L156-S159 CarbonylContact O-C 3.6Å; L156-S159 PolarHBondContact O-N 3Å; L156-S159 VanDerWaalsContact O-N 3.13Å; L156-L160 PolarHBondContact O-N 3.41Å |
| 157 | K | 92.2 | Very high | 87.9 | Confident | 140 Ų | 140 | 107.5 Ų | 107.5 | 61% | 0.609 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -57.7 | -50.2 | 178.8 | -175.1 | 172.6 | -179.8 | 176.1 | 0 | 111.7 | E153 S159 L160 E161 | E153-K157 WeakPolarHBondContact O-CB 3.38Å; E153-K157 PolarHBondContact O-N 3.26Å; K157-S159 VanDerWaalsContact C-N 3.29Å; K157-S159 PolarHBondContact O-N 3.27Å; K157-L160 WeakPolarHBondContact O-CA 3.5Å; K157-L160 WeakPolarHBondContact O-CB 3.46Å; K157-L160 PolarHBondContact O-N 3.07Å; K157-E161 WeakPolarHBondContact O-CB 3.25Å; K157-E161 PolarHBondContact O-N 2.98Å |
| 158 | K | 90.2 | Very high | 88.7 | Confident | 120 Ų | 120 | 105.2 Ų | 105.2 | 52% | 0.522 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61 | -36.9 | 175.5 | -72.6 | 170.4 | 179.4 | 171 | 0 | 112.6 | S154 L156 L160 I162 | S154-K158 WeakPolarHBondContact O-CG 3.24Å; S154-K158 PolarHBondContact O-N 2.94Å; S154-K158 VanDerWaalsContact O-N 3.15Å; L156-K158 PolarHBondContact O-N 3.41Å; K158-L160 VanDerWaalsContact C-N 3.29Å; K158-L160 PolarHBondContact O-N 3.35Å; K158-I162 WeakPolarHBondContact O-CB 3.39Å; K158-I162 WeakPolarHBondContact O-CD1 3.45Å; K158-I162 VanDerWaalsContact O-CG1 3.24Å; K158-I162 WeakPolarHBondContact O-CG1 3.4Å; K158-I162 PolarHBondContact O-N 3.04Å |
| 159 | S | 89.5 | Confident | 89.2 | Confident | 53 Ų | 53 | 103 Ų | 103 | 37% | 0.371 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -72.3 | -21.1 | 175.5 | -173.8 | 0 | 0 | 0 | 0 | 113.6 | T155 L156 K157 K163 | T155-S159 WeakPolarHBondContact O-CB 3.48Å; T155-S159 PolarHBondContact O-N 3.21Å; L156-S159 CarbonylContact O-C 3.6Å; L156-S159 PolarHBondContact O-N 3Å; L156-S159 VanDerWaalsContact O-N 3.13Å; K157-S159 VanDerWaalsContact C-N 3.29Å; K157-S159 PolarHBondContact O-N 3.27Å; S159-K163 WeakPolarHBondContact O-CD 3.39Å; S159-K163 VanDerWaalsContact O-CG 3.26Å; S159-K163 WeakPolarHBondContact O-CG 3.5Å |
| 160 | L | 91.5 | Very high | 89.8 | Confident | 96 Ų | 96 | 101.6 Ų | 101.6 | 50% | 0.503 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -77.9 | -50.8 | 171.2 | -114.9 | 164.1 | 0 | 0 | 0 | 110.2 | L156 K157 K158 I162 K163 E164 | L156-L160 PolarHBondContact O-N 3.41Å; K157-L160 WeakPolarHBondContact O-CA 3.5Å; K157-L160 WeakPolarHBondContact O-CB 3.46Å; K157-L160 PolarHBondContact O-N 3.07Å; K158-L160 VanDerWaalsContact C-N 3.29Å; K158-L160 PolarHBondContact O-N 3.35Å; L160-I162 PolarHBondContact O-N 3.45Å; L160-K163 CarbonylContact O-C 3.59Å; L160-K163 WeakPolarHBondContact O-CA 3.16Å; L160-K163 WeakPolarHBondContact O-CB 3.48Å; L160-K163 PolarHBondContact O-N 3.19Å; L160-E164 HydrophobicContact CD2-CG 4.45Å; L160-E164 WeakPolarHBondContact O-CG 3.48Å; L160-E164 PolarHBondContact O-N 2.95Å |
| 161 | E | 90.9 | Very high | 90.2 | Very high | 97 Ų | 97 | 104 Ų | 104 | 45% | 0.453 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -53.1 | -49.3 | 177.6 | -161.8 | 162.5 | -134.7 | 0 | 0 | 111.2 | K157 K163 E164 E165 | K157-E161 WeakPolarHBondContact O-CB 3.25Å; K157-E161 PolarHBondContact O-N 2.98Å; E161-K163 VanDerWaalsContact C-N 3.27Å; E161-K163 PolarHBondContact O-N 2.93Å; E161-E164 PolarHBondContact O-N 3.48Å; E161-E165 WeakPolarHBondContact O-CG 3.15Å; E161-E165 PolarHBondContact O-N 3.27Å |
| 162 | I | 90.8 | Very high | 90.5 | Very high | 108 Ų | 108 | 100.4 Ų | 100.4 | 55% | 0.554 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.3 | -27.9 | 174.6 | -67.8 | 166 | 0 | 0 | 0 | 113 | K158 L160 K166 | K158-I162 WeakPolarHBondContact O-CB 3.39Å; K158-I162 WeakPolarHBondContact O-CD1 3.45Å; K158-I162 VanDerWaalsContact O-CG1 3.24Å; K158-I162 WeakPolarHBondContact O-CG1 3.4Å; K158-I162 PolarHBondContact O-N 3.04Å; L160-I162 PolarHBondContact O-N 3.45Å; I162-K166 VanDerWaalsContact O-CB 3.28Å; I162-K166 WeakPolarHBondContact O-CB 3.45Å; I162-K166 PolarHBondContact O-N 3.43Å |
| 163 | K | 91.3 | Very high | 90.7 | Very high | 127 Ų | 127 | 104 Ų | 104 | 55% | 0.552 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -78.3 | -38.7 | 174.5 | -77.9 | 171.7 | -177.4 | 172.2 | 0 | 111.4 | S159 L160 E161 K166 I167 | S159-K163 WeakPolarHBondContact O-CD 3.39Å; S159-K163 VanDerWaalsContact O-CG 3.26Å; S159-K163 WeakPolarHBondContact O-CG 3.5Å; L160-K163 CarbonylContact O-C 3.59Å; L160-K163 WeakPolarHBondContact O-CA 3.16Å; L160-K163 WeakPolarHBondContact O-CB 3.48Å; L160-K163 PolarHBondContact O-N 3.19Å; E161-K163 VanDerWaalsContact C-N 3.27Å; E161-K163 PolarHBondContact O-N 2.93Å; K163-K166 PolarHBondContact O-N 2.89Å; K163-I167 VanDerWaalsContact O-CG1 3.26Å; K163-I167 WeakPolarHBondContact O-CG1 3.32Å; K163-I167 PolarHBondContact O-N 2.96Å |
| 164 | E | 91.3 | Very high | 90.8 | Very high | 115 Ų | 115 | 103 Ų | 103 | 54% | 0.537 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.2 | -46.7 | 177 | -70.3 | 169.2 | 168 | 0 | 0 | 110.5 | L160 E161 K166 I167 A168 | L160-E164 HydrophobicContact CD2-CG 4.45Å; L160-E164 WeakPolarHBondContact O-CG 3.48Å; L160-E164 PolarHBondContact O-N 2.95Å; E161-E164 PolarHBondContact O-N 3.48Å; E164-K166 VanDerWaalsContact C-N 3.28Å; E164-K166 PolarHBondContact O-N 3.49Å; E164-I167 PolarHBondContact O-N 2.98Å; E164-A168 PolarHBondContact O-N 3.37Å |
| 165 | E | 91.9 | Very high | 91.1 | Very high | 129 Ų | 129 | 106 Ų | 106 | 60% | 0.603 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -53.9 | -44.1 | 169.8 | -72.8 | -178.4 | 156.7 | 0 | 0 | 112 | E161 A168 A169 | E161-E165 WeakPolarHBondContact O-CG 3.15Å; E161-E165 PolarHBondContact O-N 3.27Å; E165-A168 PolarHBondContact O-N 3.16Å; E165-A169 WeakPolarHBondContact O-CB 3.48Å; E165-A169 PolarHBondContact O-N 2.94Å |
| 166 | K | 93.8 | Very high | 91.1 | Very high | 143 Ų | 143 | 107.8 Ų | 107.8 | 62% | 0.622 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -71.2 | -31.6 | -179.8 | -173.1 | 171.7 | -177.9 | 176.2 | 0 | 113.1 | I162 K163 E164 L170 | I162-K166 VanDerWaalsContact O-CB 3.28Å; I162-K166 WeakPolarHBondContact O-CB 3.45Å; I162-K166 PolarHBondContact O-N 3.43Å; K163-K166 PolarHBondContact O-N 2.89Å; E164-K166 VanDerWaalsContact C-N 3.28Å; E164-K166 PolarHBondContact O-N 3.49Å; K166-L170 HydrophobicContact CG-CD1 4.41Å; K166-L170 WeakPolarHBondContact O-CD1 3.21Å; K166-L170 VanDerWaalsContact O-CG 3.26Å; K166-L170 WeakPolarHBondContact O-CG 3.43Å; K166-L170 PolarHBondContact O-N 2.9Å; K166-L170 VanDerWaalsContact O-N 3.16Å |
| 167 | I | 91.7 | Very high | 91 | Very high | 91 Ų | 91 | 106.2 Ų | 106.2 | 47% | 0.467 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.4 | -52.7 | 172.4 | -73 | 162.1 | 0 | 0 | 0 | 108.9 | K163 E164 A169 L170 E171 | K163-I167 VanDerWaalsContact O-CG1 3.26Å; K163-I167 WeakPolarHBondContact O-CG1 3.32Å; K163-I167 PolarHBondContact O-N 2.96Å; E164-I167 PolarHBondContact O-N 2.98Å; I167-A169 VanDerWaalsContact C-N 3.28Å; I167-A169 PolarHBondContact O-N 3.32Å; I167-L170 CarbonylContact O-C 3.54Å; I167-L170 WeakPolarHBondContact O-CA 3.4Å; I167-L170 WeakPolarHBondContact O-CB 3.48Å; I167-L170 PolarHBondContact O-N 3.47Å; I167-E171 HydrophobicContact CG2-CG 4.27Å; I167-E171 WeakPolarHBondContact O-CG 3.5Å; I167-E171 PolarHBondContact O-N 2.85Å |
| 168 | A | 90.6 | Very high | 90.9 | Very high | 53 Ų | 53 | 102.4 Ų | 102.4 | 44% | 0.438 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -57.3 | -39.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | E164 E165 E171 A172 | E164-A168 PolarHBondContact O-N 3.37Å; E165-A168 PolarHBondContact O-N 3.16Å; A168-E171 PolarHBondContact O-N 3.43Å; A168-A172 WeakPolarHBondContact O-CB 3.37Å; A168-A172 PolarHBondContact O-N 2.92Å |
| 169 | A | 90.4 | Very high | 91 | Very high | 61 Ų | 61 | 100.1 Ų | 100.1 | 50% | 0.504 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.1 | -31.2 | 175 | 0 | 0 | 0 | 0 | 0 | 113.7 | E165 I167 R173 | E165-A169 WeakPolarHBondContact O-CB 3.48Å; E165-A169 PolarHBondContact O-N 2.94Å; I167-A169 VanDerWaalsContact C-N 3.28Å; I167-A169 PolarHBondContact O-N 3.32Å; A169-R173 WeakPolarHBondContact O-CB 3.39Å; A169-R173 PolarHBondContact O-N 3.41Å |
| 170 | L | 91.7 | Very high | 91.1 | Very high | 107 Ų | 107 | 104.1 Ų | 104.1 | 56% | 0.56 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -76.3 | -37.3 | 173.7 | -74.6 | 169.2 | 0 | 0 | 0 | 111.8 | K166 I167 R173 L174 | K166-L170 HydrophobicContact CG-CD1 4.41Å; K166-L170 WeakPolarHBondContact O-CD1 3.21Å; K166-L170 VanDerWaalsContact O-CG 3.26Å; K166-L170 WeakPolarHBondContact O-CG 3.43Å; K166-L170 PolarHBondContact O-N 2.9Å; K166-L170 VanDerWaalsContact O-N 3.16Å; I167-L170 CarbonylContact O-C 3.54Å; I167-L170 WeakPolarHBondContact O-CA 3.4Å; I167-L170 WeakPolarHBondContact O-CB 3.48Å; I167-L170 PolarHBondContact O-N 3.47Å; L170-R173 PolarHBondContact O-N 3.08Å; L170-L174 WeakPolarHBondContact O-CB 3.42Å; L170-L174 PolarHBondContact O-N 3.01Å |
| 171 | E | 91.4 | Very high | 90.9 | Very high | 119 Ų | 119 | 102.9 Ų | 102.9 | 56% | 0.556 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.3 | -47.8 | 174.8 | -70.6 | 173 | 155.9 | 0 | 0 | 111 | I167 A168 R173 L174 E175 | I167-E171 HydrophobicContact CG2-CG 4.27Å; I167-E171 WeakPolarHBondContact O-CG 3.5Å; I167-E171 PolarHBondContact O-N 2.85Å; A168-E171 PolarHBondContact O-N 3.43Å; E171-R173 VanDerWaalsContact C-N 3.3Å; E171-R173 PolarHBondContact O-N 3.3Å; E171-L174 WeakPolarHBondContact O-CB 3.47Å; E171-L174 PolarHBondContact O-N 3.49Å; E171-L174 VanDerWaalsContact O-N 3.08Å; E171-E175 PolarHBondContact O-N 3.48Å |
| 172 | A | 90.6 | Very high | 90.8 | Very high | 53 Ų | 53 | 103.7 Ų | 103.7 | 44% | 0.438 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58.1 | -40.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | A168 L174 E175 E176 | A168-A172 WeakPolarHBondContact O-CB 3.37Å; A168-A172 PolarHBondContact O-N 2.92Å; A172-L174 VanDerWaalsContact C-N 3.34Å; A172-L174 PolarHBondContact O-N 3.11Å; A172-E175 WeakPolarHBondContact O-CB 3.43Å; A172-E175 PolarHBondContact O-N 3.45Å; A172-E176 WeakPolarHBondContact O-CG 3.31Å; A172-E176 PolarHBondContact O-N 2.93Å |
| 173 | R | 91.3 | Very high | 90.6 | Very high | 178 Ų | 178 | 104.3 Ų | 104.3 | 67% | 0.672 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -71.7 | -27.4 | 177 | -163.3 | 176.9 | -171.6 | -172 | 3 | 113.1 | A169 L170 E171 S177 | A169-R173 WeakPolarHBondContact O-CB 3.39Å; A169-R173 PolarHBondContact O-N 3.41Å; L170-R173 PolarHBondContact O-N 3.08Å; E171-R173 VanDerWaalsContact C-N 3.3Å; E171-R173 PolarHBondContact O-N 3.3Å; R173-S177 WeakPolarHBondContact O-CB 3.36Å; R173-S177 PolarHBondContact O-N 3.26Å; R173-S177 VanDerWaalsContact O-N 3.08Å |
| 174 | L | 90.7 | Very high | 90.4 | Very high | 115 Ų | 115 | 101.4 Ų | 101.4 | 60% | 0.602 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -70.4 | -42.9 | 170.8 | -176.1 | 63.7 | 0 | 0 | 0 | 110.4 | L170 E171 A172 S177 T178 | L170-L174 WeakPolarHBondContact O-CB 3.42Å; L170-L174 PolarHBondContact O-N 3.01Å; E171-L174 WeakPolarHBondContact O-CB 3.47Å; E171-L174 PolarHBondContact O-N 3.49Å; E171-L174 VanDerWaalsContact O-N 3.08Å; A172-L174 VanDerWaalsContact C-N 3.34Å; A172-L174 PolarHBondContact O-N 3.11Å; L174-S177 CarbonylContact O-C 3.49Å; L174-S177 WeakPolarHBondContact O-CB 3.37Å; L174-S177 PolarHBondContact O-N 3.29Å; L174-S177 VanDerWaalsContact O-N 3.13Å; L174-T178 WeakPolarHBondContact O-CG2 3.44Å; L174-T178 PolarHBondContact O-N 3.32Å; L174-T178 PolarHBondContact O-OG1 3.22Å |
| 175 | E | 92.3 | Very high | 90.1 | Very high | 117 Ų | 117 | 104.2 Ų | 104.2 | 55% | 0.547 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.2 | -45 | 173.8 | -165.1 | 68.4 | -124.7 | 0 | 0 | 111.5 | E171 A172 S177 T178 N179 | E171-E175 PolarHBondContact O-N 3.48Å; A172-E175 WeakPolarHBondContact O-CB 3.43Å; A172-E175 PolarHBondContact O-N 3.45Å; E175-S177 VanDerWaalsContact C-N 3.32Å; E175-S177 PolarHBondContact O-N 2.93Å; E175-T178 PolarHBondContact O-N 3.48Å; E175-T178 PolarHBondContact O-OG1 3.4Å; E175-N179 WeakPolarHBondContact O-CB 3.48Å; E175-N179 PolarHBondContact O-N 2.93Å; E175-N179 PolarHBondContact O-ND2 3.02Å; E175-N179 PolarHBondContact OE1-ND2 3.44Å |
| 176 | E | 89.6 | Confident | 89.8 | Confident | 135 Ų | 135 | 104.3 Ų | 104.3 | 63% | 0.631 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -58.3 | -43.5 | 170.8 | -74.4 | 179.4 | 164.6 | 0 | 0 | 111.8 | A172 N179 Y180 | A172-E176 WeakPolarHBondContact O-CG 3.31Å; A172-E176 PolarHBondContact O-N 2.93Å; E176-N179 PolarHBondContact O-N 2.97Å; E176-Y180 WeakPolarHBondContact O-CB 3.45Å; E176-Y180 PolarHBondContact O-N 2.94Å |
| 177 | S | 86.7 | Confident | 89.4 | Confident | 73 Ų | 73 | 102.7 Ų | 102.7 | 51% | 0.51 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.8 | -39.4 | -179.1 | -168.3 | 0 | 0 | 0 | 0 | 112.8 | R173 L174 E175 N181 | R173-S177 WeakPolarHBondContact O-CB 3.36Å; R173-S177 PolarHBondContact O-N 3.26Å; R173-S177 VanDerWaalsContact O-N 3.08Å; L174-S177 CarbonylContact O-C 3.49Å; L174-S177 WeakPolarHBondContact O-CB 3.37Å; L174-S177 PolarHBondContact O-N 3.29Å; L174-S177 VanDerWaalsContact O-N 3.13Å; E175-S177 VanDerWaalsContact C-N 3.32Å; E175-S177 PolarHBondContact O-N 2.93Å; S177-N181 WeakPolarHBondContact O-CB 3.18Å; S177-N181 PolarHBondContact O-N 3.45Å |
| 178 | T | 91.1 | Very high | 88.9 | Confident | 60 Ų | 60 | 104.3 Ų | 104.3 | 37% | 0.368 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.9 | -40.4 | 175.1 | 57.4 | 0 | 0 | 0 | 0 | 111.1 | L174 E175 N181 Q182 | L174-T178 WeakPolarHBondContact O-CG2 3.44Å; L174-T178 PolarHBondContact O-N 3.32Å; L174-T178 PolarHBondContact O-OG1 3.22Å; E175-T178 PolarHBondContact O-N 3.48Å; E175-T178 PolarHBondContact O-OG1 3.4Å; T178-N181 PolarHBondContact O-N 3.1Å; T178-Q182 WeakPolarHBondContact O-CG 3.36Å; T178-Q182 PolarHBondContact O-N 3.42Å |
| 179 | N | 91.4 | Very high | 88.6 | Confident | 73 Ų | 73 | 108.7 Ų | 108.7 | 39% | 0.39 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.2 | -41.6 | 175.1 | -76.4 | -58 | 0 | 0 | 0 | 112.2 | E175 E176 N181 Q182 Q183 | E175-N179 WeakPolarHBondContact O-CB 3.48Å; E175-N179 PolarHBondContact O-N 2.93Å; E175-N179 PolarHBondContact O-ND2 3.02Å; E175-N179 PolarHBondContact OE1-ND2 3.44Å; E176-N179 PolarHBondContact O-N 2.97Å; N179-N181 VanDerWaalsContact C-N 3.35Å; N179-N181 PolarHBondContact O-N 3.12Å; N179-Q182 WeakPolarHBondContact O-CB 3.32Å; N179-Q182 PolarHBondContact O-N 3.27Å; N179-Q183 PolarHBondContact O-N 2.86Å |
| 180 | Y | 91.3 | Very high | 88.1 | Confident | 136 Ų | 136 | 108.8 Ų | 108.8 | 53% | 0.533 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.2 | -35.6 | 172.7 | -173.7 | -116.2 | 0 | 0 | 0 | 112.2 | E176 Q182 Q183 L184 | E176-Y180 WeakPolarHBondContact O-CB 3.45Å; E176-Y180 PolarHBondContact O-N 2.94Å; Y180-Q182 VanDerWaalsContact C-N 3.33Å; Y180-Q182 PolarHBondContact O-N 3.09Å; Y180-Q183 PolarHBondContact O-N 2.85Å; Y180-L184 HydrophobicContact CD1-CD1 3.92Å; Y180-L184 HydrophobicContact CD1-CG 4.47Å; Y180-L184 HydrophobicContact CE1-CD1 3.5Å; Y180-L184 VanDerWaalsContact CE1-CD1 3.5Å; Y180-L184 HydrophobicContact CE1-CG 4.06Å; Y180-L184 HydrophobicContact CE2-CG 4.42Å; Y180-L184 WeakPolarHBondContact O-CB 3.43Å; Y180-L184 PolarHBondContact O-N 3.39Å |
| 181 | N | 88.8 | Confident | 87.6 | Confident | 70 Ų | 70 | 108 Ų | 108 | 37% | 0.374 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66 | -34.8 | 172.3 | -158.6 | -98.4 | 0 | 0 | 0 | 112 | S177 T178 N179 R185 | S177-N181 WeakPolarHBondContact O-CB 3.18Å; S177-N181 PolarHBondContact O-N 3.45Å; T178-N181 PolarHBondContact O-N 3.1Å; N179-N181 VanDerWaalsContact C-N 3.35Å; N179-N181 PolarHBondContact O-N 3.12Å; N181-R185 WeakPolarHBondContact O-CB 3.27Å; N181-R185 WeakPolarHBondContact O-CG 3.46Å; N181-R185 PolarHBondContact O-N 2.9Å; N181-R185 PolarHBondContact OD1-NE 3.47Å; N181-R185 PolarHBondContact OD1-NH2 2.76Å |
| 182 | Q | 89 | Confident | 87.1 | Confident | 115 Ų | 115 | 108.3 Ų | 108.3 | 54% | 0.537 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67 | -42.5 | 172.1 | -71.9 | 177.6 | 65.8 | 0 | 0 | 111.9 | T178 N179 Y180 R185 H186 | T178-Q182 WeakPolarHBondContact O-CG 3.36Å; T178-Q182 PolarHBondContact O-N 3.42Å; N179-Q182 WeakPolarHBondContact O-CB 3.32Å; N179-Q182 PolarHBondContact O-N 3.27Å; Y180-Q182 VanDerWaalsContact C-N 3.33Å; Y180-Q182 PolarHBondContact O-N 3.09Å; Q182-R185 PolarHBondContact O-N 2.79Å; Q182-H186 PolarHBondContact O-N 2.98Å |
| 183 | Q | 86.9 | Confident | 86.5 | Confident | 120 Ų | 120 | 112.4 Ų | 112.4 | 56% | 0.561 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -59.1 | -51.7 | 172.1 | -76.3 | -178.1 | -26.7 | 0 | 0 | 111.2 | N179 Y180 R185 H186 E187 | N179-Q183 PolarHBondContact O-N 2.86Å; Y180-Q183 PolarHBondContact O-N 2.85Å; Q183-R185 VanDerWaalsContact C-N 3.29Å; Q183-R185 PolarHBondContact O-N 3Å; Q183-H186 CarbonylContact O-C 3.53Å; Q183-H186 WeakPolarHBondContact O-CA 3.47Å; Q183-H186 WeakPolarHBondContact O-CB 3.38Å; Q183-H186 PolarHBondContact O-N 2.68Å; Q183-E187 PolarHBondContact O-N 3.34Å |
| 184 | L | 86.3 | Confident | 85.8 | Confident | 67 Ų | 67 | 108.7 Ų | 108.7 | 35% | 0.351 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -57.6 | -37.5 | 176.1 | -80.2 | 172.5 | 0 | 0 | 0 | 112.8 | Y180 H186 L188 | Y180-L184 HydrophobicContact CD1-CD1 3.92Å; Y180-L184 HydrophobicContact CD1-CG 4.47Å; Y180-L184 HydrophobicContact CE1-CD1 3.5Å; Y180-L184 VanDerWaalsContact CE1-CD1 3.5Å; Y180-L184 HydrophobicContact CE1-CG 4.06Å; Y180-L184 HydrophobicContact CE2-CG 4.42Å; Y180-L184 WeakPolarHBondContact O-CB 3.43Å; Y180-L184 PolarHBondContact O-N 3.39Å; L184-H186 VanDerWaalsContact C-N 3.33Å; L184-L188 WeakPolarHBondContact O-CB 3.5Å; L184-L188 PolarHBondContact O-N 3.29Å |
| 185 | R | 85.5 | Confident | 85 | Confident | 174 Ų | 174 | 109.4 Ų | 109.4 | 66% | 0.657 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.7 | -35.3 | 172.8 | -73.4 | 169.8 | -165.7 | -138.1 | 3.8 | 112.3 | N181 Q182 Q183 K189 | N181-R185 WeakPolarHBondContact O-CB 3.27Å; N181-R185 WeakPolarHBondContact O-CG 3.46Å; N181-R185 PolarHBondContact O-N 2.9Å; N181-R185 PolarHBondContact OD1-NE 3.47Å; N181-R185 PolarHBondContact OD1-NH2 2.76Å; Q182-R185 PolarHBondContact O-N 2.79Å; Q183-R185 VanDerWaalsContact C-N 3.29Å; Q183-R185 PolarHBondContact O-N 3Å; R185-K189 WeakPolarHBondContact O-CB 3.21Å; R185-K189 PolarHBondContact O-N 3.1Å; R185-K189 VanDerWaalsContact O-N 3.1Å |
| 186 | H | 85.3 | Confident | 84.1 | Confident | 131 Ų | 131 | 108.6 Ų | 108.6 | 61% | 0.606 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -71.7 | -45.9 | 176.1 | -157.9 | 114.2 | 0 | 0 | 0 | 111.3 | Q182 Q183 L184 K189 T190 | Q182-H186 PolarHBondContact O-N 2.98Å; Q183-H186 CarbonylContact O-C 3.53Å; Q183-H186 WeakPolarHBondContact O-CA 3.47Å; Q183-H186 WeakPolarHBondContact O-CB 3.38Å; Q183-H186 PolarHBondContact O-N 2.68Å; L184-H186 VanDerWaalsContact C-N 3.33Å; H186-K189 WeakPolarHBondContact O-CB 3.4Å; H186-K189 PolarHBondContact O-N 3.38Å; H186-T190 PolarHBondContact O-N 3.4Å; H186-T190 PolarHBondContact O-OG1 2.95Å |
| 187 | E | 85.4 | Confident | 82.9 | Confident | 109 Ų | 109 | 104.5 Ų | 104.5 | 51% | 0.509 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.3 | -46.5 | 173.3 | -71.4 | -176.1 | 165.1 | 0 | 0 | 111.2 | Q183 K189 T190 V191 | Q183-E187 PolarHBondContact O-N 3.34Å; E187-K189 VanDerWaalsContact C-N 3.27Å; E187-K189 PolarHBondContact O-N 3.25Å; E187-T190 CarbonylContact O-C 3.57Å; E187-T190 WeakPolarHBondContact O-CA 3.38Å; E187-T190 WeakPolarHBondContact O-CB 3.4Å; E187-T190 PolarHBondContact O-N 3.02Å; E187-V191 WeakPolarHBondContact O-CB 3.45Å; E187-V191 WeakPolarHBondContact O-CG2 3.34Å; E187-V191 PolarHBondContact O-N 2.96Å |
| 188 | L | 80.9 | Confident | 81.6 | Confident | 124 Ų | 124 | 106 Ų | 106 | 65% | 0.649 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.7 | -31.4 | 178.6 | -163.1 | 152.8 | 0 | 0 | 0 | 111.8 | L184 K192 | L184-L188 WeakPolarHBondContact O-CB 3.5Å; L184-L188 PolarHBondContact O-N 3.29Å; L188-K192 VanDerWaalsContact O-CB 3.28Å; L188-K192 WeakPolarHBondContact O-CB 3.44Å; L188-K192 PolarHBondContact O-N 3.2Å |
| 189 | K | 83.6 | Confident | 80.4 | Confident | 146 Ų | 146 | 108 Ų | 108 | 64% | 0.635 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -68 | -36.1 | 170.1 | -172.1 | 178.8 | -177.8 | 179.7 | 0 | 112.4 | R185 H186 E187 K193 | R185-K189 WeakPolarHBondContact O-CB 3.21Å; R185-K189 PolarHBondContact O-N 3.1Å; R185-K189 VanDerWaalsContact O-N 3.1Å; H186-K189 WeakPolarHBondContact O-CB 3.4Å; H186-K189 PolarHBondContact O-N 3.38Å; E187-K189 VanDerWaalsContact C-N 3.27Å; E187-K189 PolarHBondContact O-N 3.25Å; K189-K193 PolarHBondContact O-N 2.82Å |
| 190 | T | 80.4 | Confident | 78.8 | Confident | 62 Ų | 62 | 111.6 Ų | 111.6 | 38% | 0.38 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -74 | -43.8 | 174.2 | -62.7 | 0 | 0 | 0 | 0 | 111.9 | H186 E187 K192 K193 N194 | H186-T190 PolarHBondContact O-N 3.4Å; H186-T190 PolarHBondContact O-OG1 2.95Å; E187-T190 CarbonylContact O-C 3.57Å; E187-T190 WeakPolarHBondContact O-CA 3.38Å; E187-T190 WeakPolarHBondContact O-CB 3.4Å; E187-T190 PolarHBondContact O-N 3.02Å; T190-K192 VanDerWaalsContact C-N 3.27Å; T190-K192 PolarHBondContact O-N 2.89Å; T190-K193 WeakPolarHBondContact O-CB 3.29Å; T190-K193 PolarHBondContact O-N 2.91Å; T190-N194 WeakPolarHBondContact O-CB 3.27Å; T190-N194 VanDerWaalsContact O-CG 3.26Å; T190-N194 PolarHBondContact O-N 2.98Å; T190-N194 PolarHBondContact O-OD1 2.64Å |
| 191 | V | 81.5 | Confident | 77 | Confident | 91 Ų | 91 | 113 Ų | 113 | 55% | 0.552 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62 | -34.8 | 173.5 | 171.5 | 0 | 0 | 0 | 0 | 110.7 | E187 N194 Y195 | E187-V191 WeakPolarHBondContact O-CB 3.45Å; E187-V191 WeakPolarHBondContact O-CG2 3.34Å; E187-V191 PolarHBondContact O-N 2.96Å; V191-N194 CarbonylContact O-C 3.57Å; V191-N194 PolarHBondContact O-N 3.06Å; V191-Y195 VanDerWaalsContact O-CB 3.26Å; V191-Y195 WeakPolarHBondContact O-CB 3.49Å; V191-Y195 PolarHBondContact O-N 3.33Å |
| 192 | K | 80.4 | Confident | 75.3 | Confident | 125 Ų | 125 | 115 Ų | 115 | 54% | 0.543 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.3 | -47.4 | 171.9 | -177.3 | 171.2 | 175.6 | 177.3 | 0 | 112.1 | L188 T190 N194 Y195 E196 | L188-K192 VanDerWaalsContact O-CB 3.28Å; L188-K192 WeakPolarHBondContact O-CB 3.44Å; L188-K192 PolarHBondContact O-N 3.2Å; T190-K192 VanDerWaalsContact C-N 3.27Å; T190-K192 PolarHBondContact O-N 2.89Å; K192-N194 VanDerWaalsContact C-N 3.32Å; K192-N194 PolarHBondContact O-N 2.91Å; K192-Y195 PolarHBondContact O-N 2.89Å; K192-E196 WeakPolarHBondContact CE-OE1 3.32Å; K192-E196 WeakPolarHBondContact CG-OE1 3.48Å; K192-E196 WeakPolarHBondContact O-CG 3.49Å; K192-E196 PolarHBondContact O-N 3.37Å |
| 193 | K | 77.4 | Confident | 73.4 | Confident | 140 Ų | 140 | 114.9 Ų | 114.9 | 61% | 0.609 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -59.5 | -42.8 | 172.1 | -74.2 | -175.4 | 170.4 | -170.6 | 0 | 112.2 | K189 T190 Y195 E196 A197 | K189-K193 PolarHBondContact O-N 2.82Å; T190-K193 WeakPolarHBondContact O-CB 3.29Å; T190-K193 PolarHBondContact O-N 2.91Å; K193-Y195 VanDerWaalsContact C-N 3.32Å; K193-Y195 PolarHBondContact O-N 3.34Å; K193-E196 PolarHBondContact O-N 2.91Å; K193-A197 PolarHBondContact O-N 3.21Å |
| 194 | N | 76.4 | Confident | 71.5 | Confident | 99 Ų | 99 | 116.4 Ų | 116.4 | 53% | 0.529 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -68.1 | -33.2 | 179.4 | -67.6 | -5.9 | 0 | 0 | 0 | 111.5 | T190 V191 K192 A197 L198 | T190-N194 WeakPolarHBondContact O-CB 3.27Å; T190-N194 VanDerWaalsContact O-CG 3.26Å; T190-N194 PolarHBondContact O-N 2.98Å; T190-N194 PolarHBondContact O-OD1 2.64Å; V191-N194 CarbonylContact O-C 3.57Å; V191-N194 PolarHBondContact O-N 3.06Å; K192-N194 VanDerWaalsContact C-N 3.32Å; K192-N194 PolarHBondContact O-N 2.91Å; N194-A197 CarbonylContact O-C 3.57Å; N194-A197 PolarHBondContact O-N 2.83Å; N194-L198 VanDerWaalsContact O-CB 3.28Å; N194-L198 WeakPolarHBondContact O-CB 3.49Å; N194-L198 PolarHBondContact O-N 2.89Å |
| 195 | Y | 75.8 | Confident | 69.4 | Low | 130 Ų | 130 | 121 Ų | 121 | 51% | 0.51 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -72.4 | -37.3 | 173.4 | 175.5 | -99.2 | 0 | 0 | 0 | 111.7 | V191 K192 K193 A197 L198 K199 | V191-Y195 VanDerWaalsContact O-CB 3.26Å; V191-Y195 WeakPolarHBondContact O-CB 3.49Å; V191-Y195 PolarHBondContact O-N 3.33Å; K192-Y195 PolarHBondContact O-N 2.89Å; K193-Y195 VanDerWaalsContact C-N 3.32Å; K193-Y195 PolarHBondContact O-N 3.34Å; Y195-A197 VanDerWaalsContact C-N 3.28Å; Y195-A197 PolarHBondContact O-N 2.71Å; Y195-L198 PolarHBondContact O-N 3.38Å; Y195-K199 HydrophobicContact CE1-CD 4.38Å; Y195-K199 WeakPolarHBondContact O-CB 3.44Å; Y195-K199 PolarHBondContact O-N 3.12Å |
| 196 | E | 72.1 | Confident | 67.1 | Low | 101 Ų | 101 | 121.8 Ų | 121.8 | 47% | 0.472 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -59.8 | -40.6 | 170.4 | -72.7 | 159.5 | -179.3 | 0 | 0 | 110.6 | K192 K193 | K192-E196 WeakPolarHBondContact CE-OE1 3.32Å; K192-E196 WeakPolarHBondContact CG-OE1 3.48Å; K192-E196 WeakPolarHBondContact O-CG 3.49Å; K192-E196 PolarHBondContact O-N 3.37Å; K193-E196 PolarHBondContact O-N 2.91Å |
| 197 | A | 63.7 | Low | 64.4 | Low | 49 Ų | 49 | 124 Ų | 124 | 41% | 0.405 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -74.6 | -34 | 173 | 0 | 0 | 0 | 0 | 0 | 114.5 | K193 N194 Y195 Q200 | K193-A197 PolarHBondContact O-N 3.21Å; N194-A197 CarbonylContact O-C 3.57Å; N194-A197 PolarHBondContact O-N 2.83Å; Y195-A197 VanDerWaalsContact C-N 3.28Å; Y195-A197 PolarHBondContact O-N 2.71Å; A197-Q200 PolarHBondContact O-N 3.26Å |
| 198 | L | 61.4 | Low | 61.9 | Low | 103 Ų | 103 | 124.4 Ų | 124.4 | 54% | 0.539 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -75.9 | -29.2 | 178.4 | -147.3 | 85.6 | 0 | 0 | 0 | 111.4 | N194 Y195 Q200 R201 Q202 | N194-L198 VanDerWaalsContact O-CB 3.28Å; N194-L198 WeakPolarHBondContact O-CB 3.49Å; N194-L198 PolarHBondContact O-N 2.89Å; Y195-L198 PolarHBondContact O-N 3.38Å; L198-Q200 VanDerWaalsContact C-N 3.32Å; L198-R201 CarbonylContact O-C 3.54Å; L198-R201 WeakPolarHBondContact O-CA 3.33Å; L198-R201 PolarHBondContact O-N 3.25Å; L198-R201 VanDerWaalsContact O-N 3.07Å; L198-Q202 WeakPolarHBondContact O-CB 3.49Å; L198-Q202 PolarHBondContact O-N 3.42Å |
| 199 | K | 65.4 | Low | 59.5 | Low | 104 Ų | 104 | 126.7 Ų | 126.7 | 45% | 0.452 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -65.2 | -37 | 173 | -173.6 | 167.8 | -178.6 | 174 | 0 | 111.3 | Y195 R201 Q202 D203 | Y195-K199 HydrophobicContact CE1-CD 4.38Å; Y195-K199 WeakPolarHBondContact O-CB 3.44Å; Y195-K199 PolarHBondContact O-N 3.12Å; K199-R201 PolarHBondContact O-N 3.05Å; K199-Q202 PolarHBondContact O-N 3.29Å; K199-D203 PolarHBondContact O-N 2.9Å; K199-D203 VanDerWaalsContact O-N 3.16Å |
| 200 | Q | 56.5 | Low | 56.5 | Low | 148 Ų | 148 | 124.4 Ų | 124.4 | 69% | 0.692 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -58.8 | -33.4 | 169.5 | -70.1 | -175.1 | -60.1 | 0 | 0 | 112.6 | A197 L198 E204 | A197-Q200 PolarHBondContact O-N 3.26Å; L198-Q200 VanDerWaalsContact C-N 3.32Å; Q200-E204 WeakPolarHBondContact O-CG 3.29Å |
| 201 | R | 55.1 | Low | 54.1 | Low | 164 Ų | 164 | 126.7 Ų | 126.7 | 62% | 0.619 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -82.3 | -32.7 | 174.3 | -64.3 | -173 | -177.6 | -173.5 | 0.1 | 114.3 | L198 K199 D203 E204 E205 | L198-R201 CarbonylContact O-C 3.54Å; L198-R201 WeakPolarHBondContact O-CA 3.33Å; L198-R201 PolarHBondContact O-N 3.25Å; L198-R201 VanDerWaalsContact O-N 3.07Å; K199-R201 PolarHBondContact O-N 3.05Å; R201-D203 VanDerWaalsContact C-N 3.28Å; R201-D203 PolarHBondContact O-N 2.91Å; R201-E204 WeakPolarHBondContact O-CA 3.35Å; R201-E204 VanDerWaalsContact O-CB 3.3Å; R201-E204 WeakPolarHBondContact O-CB 3.45Å; R201-E204 PolarHBondContact O-N 3.01Å; R201-E205 PolarHBondContact O-N 3.32Å |
| 202 | Q | 52 | Low | 51.5 | Low | 113 Ų | 113 | 130 Ų | 130 | 53% | 0.528 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -76 | -18.4 | -177.9 | -166 | 170.1 | 37.5 | 0 | 0 | 112.9 | L198 K199 | L198-Q202 WeakPolarHBondContact O-CB 3.49Å; L198-Q202 PolarHBondContact O-N 3.42Å; K199-Q202 PolarHBondContact O-N 3.29Å |
| 203 | D | 49.7 | Very low | 49.8 | Very low | 113 Ų | 113 | 129.2 Ų | 129.2 | 60% | 0.604 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -9 | 164.7 | -70.9 | -33.7 | 0 | 0 | 0 | 112.5 | K199 R201 R206 | K199-D203 PolarHBondContact O-N 2.9Å; K199-D203 VanDerWaalsContact O-N 3.16Å; R201-D203 VanDerWaalsContact C-N 3.28Å; R201-D203 PolarHBondContact O-N 2.91Å; D203-R206 IonicContact OD1-NH2 2.79Å |
| 204 | E | 47.2 | Very low | 47.7 | Very low | 152 Ų | 152 | 128.9 Ų | 128.9 | 71% | 0.71 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | -31.8 | 173.2 | -56.5 | 175.6 | 129.1 | 0 | 0 | 112.9 | Q200 R201 | Q200-E204 WeakPolarHBondContact O-CG 3.29Å; R201-E204 WeakPolarHBondContact O-CA 3.35Å; R201-E204 VanDerWaalsContact O-CB 3.3Å; R201-E204 WeakPolarHBondContact O-CB 3.45Å; R201-E204 PolarHBondContact O-N 3.01Å |
| 205 | E | 41.9 | Very low | 45.7 | Very low | 163 Ų | 163 | 129.1 Ų | 129.1 | 76% | 0.762 | 66% | 0.663 | S | S | * | * | trans | -113.3 | 69.5 | -172.3 | -65.2 | -171.8 | 143.1 | 0 | 0 | 114.3 | R201 | R201-E205 PolarHBondContact O-N 3.32Š| ||
| 206 | R | 36.3 | Very low | 43.6 | Very low | 190 Ų | 190 | 126 Ų | 126 | 72% | 0.717 | 67% | 0.67 | S | S | * | * | trans | -130.3 | 73.3 | 174.6 | -117.6 | -156.2 | -65.4 | -179.9 | 0.1 | 115.3 | D203 | D203-R206 IonicContact OD1-NH2 2.79Š| ||
| 207 | M | 29.6 | Very low | 41.9 | Very low | 177 Ų | 177 | 128.5 Ų | 128.5 | 87% | 0.872 | 68% | 0.682 | S | S | * | * | trans | -147.9 | 139.6 | 172.3 | -88.2 | -64.1 | 154.2 | 0 | 0 | 112.9 | ||||
| 208 | V | 32.7 | Very low | 40.6 | Very low | 118 Ų | 118 | 134 Ų | 134 | 72% | 0.715 | 70% | 0.704 | S | S | * | * | trans | 67.6 | 126.3 | 167.8 | -175.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 209 | Q | 29.4 | Very low | 39.8 | Very low | 173 Ų | 173 | 135.8 Ų | 135.8 | 81% | 0.808 | 71% | 0.714 | S | S | * | * | cis | 88.6 | 153.6 | 38.8 | -69 | 172.3 | -33 | 0 | 0 | 115.2 | ||||
| 210 | S | 21.8 | Very low | 38.5 | Very low | 98 Ų | 98 | 139.6 Ų | 139.6 | 69% | 0.685 | 73% | 0.731 | S | S | * | * | cis | 168 | 148.1 | -48.2 | 50.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 211 | S | 29 | Very low | 38.1 | Very low | 109 Ų | 109 | 143.1 Ų | 143.1 | 76% | 0.762 | 74% | 0.738 | S | S | * | * | cis | -175.4 | -158.6 | -10.5 | -77.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 212 | I | 26.7 | Very low | 37.7 | Very low | 162 Ų | 162 | 138.3 Ų | 138.3 | 83% | 0.831 | 74% | 0.739 | S | S | * | * | trans | 85.4 | -177.4 | 156.6 | -7.3 | -177.1 | 0 | 0 | 0 | 118.4 | ||||
| 213 | P | 45.7 | Very low | 37.7 | Very low | 107 Ų | 107 | 143.7 Ų | 143.7 | 70% | 0.695 | 76% | 0.755 | S | S | * | * | -144.4 | -178.6 | -115.8 | 50.5 | -31.5 | 0 | 0 | 0 | 122.7 | |||||
| 214 | V | 33.3 | Very low | 37.9 | Very low | 133 Ų | 133 | 143.8 Ų | 143.8 | 81% | 0.806 | 75% | 0.752 | S | S | * | * | trans | 70.2 | 144 | 136.3 | 158.8 | 0 | 0 | 0 | 0 | 126.6 | ||||
| 215 | S | 33.4 | Very low | 38.3 | Very low | 105 Ų | 105 | 140 Ų | 140 | 73% | 0.734 | 74% | 0.742 | S | S | * | * | trans | 66.2 | 165.3 | 167.8 | -82.4 | 0 | 0 | 0 | 0 | 120.6 | E217 | S215-E217 WeakPolarHBondContact CB-OE2 3.37Å; S215-E217 PolarHBondContact OG-OE2 2.9Å | ||
| 216 | G | 33.8 | Very low | 39 | Very low | 64 Ų | 64 | 139.4 Ų | 139.4 | 66% | 0.66 | 74% | 0.739 | S | S | * | * | cis | 172.3 | -177.1 | -3.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 217 | E | 35.4 | Very low | 40.2 | Very low | 154 Ų | 154 | 136.6 Ų | 136.6 | 72% | 0.72 | 73% | 0.734 | S | S | * | * | cis | -173.3 | 146.3 | -15.2 | -116.1 | 74.6 | -96.7 | 0 | 0 | 110.1 | S215 | S215-E217 WeakPolarHBondContact CB-OE2 3.37Å; S215-E217 PolarHBondContact OG-OE2 2.9Å | ||
| 218 | D | 36.4 | Very low | 41.8 | Very low | 165 Ų | 165 | 130.8 Ų | 130.8 | 88% | 0.882 | 72% | 0.715 | S | S | * | * | trans | 49.7 | 177.5 | 167.1 | -80.9 | 6.5 | 0 | 0 | 0 | 123.9 | ||||
| 219 | D | 43.5 | Very low | 43.6 | Very low | 139 Ų | 139 | 128.6 Ų | 128.6 | 74% | 0.743 | 70% | 0.702 | S | S | * | * | -167.5 | 149.7 | -59 | 176.1 | 39.4 | 0 | 0 | 0 | 110.7 | |||||
| 220 | K | 39.1 | Very low | 45.8 | Very low | 185 Ų | 185 | 127.9 Ų | 127.9 | 80% | 0.804 | 69% | 0.691 | S | S | * | * | trans | -174.6 | 99.3 | 171 | -156.1 | 172.4 | -169.5 | 170.6 | 0 | 119.3 | ||||
| 221 | W | 47.2 | Very low | 48.5 | Very low | 221 Ų | 221 | 127.5 Ų | 127.5 | 84% | 0.837 | 68% | 0.679 | S | S | * | * | trans | -142.6 | 147.6 | 158.7 | -77.1 | 87 | 0 | 0 | 0 | 113.1 | ||||
| 222 | G | 48.4 | Very low | 51 | Low | 63 Ų | 63 | 128 Ų | 128 | 65% | 0.649 | 67% | 0.672 | S | S | * | * | trans | -167.2 | 24.8 | -163.4 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 223 | R | 50.7 | Low | 53.7 | Low | 226 Ų | 226 | 124.7 Ų | 124.7 | 85% | 0.853 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -130.8 | -30 | 166.4 | -114.9 | -166.7 | -83.3 | -103.4 | 8.9 | 115.7 | S225 | R223-S225 PolarHBondContact O-N 2.97Š|
| 224 | E | 53.8 | Low | 55.5 | Low | 116 Ų | 116 | 125.6 Ų | 125.6 | 54% | 0.542 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -58.3 | -30.8 | 167.2 | -61.8 | 82.9 | 175.4 | 0 | 0 | 111.5 | Q226 E227 A228 | E224-Q226 VanDerWaalsContact C-N 3.34Å; E224-Q226 PolarHBondContact O-N 3Å; E224-E227 PolarHBondContact O-N 2.72Å; E224-A228 VanDerWaalsContact O-CB 3.31Å; E224-A228 WeakPolarHBondContact O-CB 3.26Å; E224-A228 PolarHBondContact O-N 3.26Å |
| 225 | S | 55.2 | Low | 58 | Low | 73 Ų | 73 | 123.8 Ų | 123.8 | 51% | 0.51 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -51.6 | -41.1 | -178 | -179.9 | 0 | 0 | 0 | 0 | 114.6 | R223 T229 | R223-S225 PolarHBondContact O-N 2.97Å; S225-T229 WeakPolarHBondContact O-CB 3.47Å; S225-T229 PolarHBondContact O-N 3.22Å; S225-T229 PolarHBondContact O-OG1 2.9Å |
| 226 | Q | 57.2 | Low | 60.6 | Low | 150 Ų | 150 | 124.7 Ų | 124.7 | 70% | 0.701 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -75.2 | -36.1 | -178.8 | -84.8 | -168.9 | -14.7 | 0 | 0 | 113.3 | E224 R230 | E224-Q226 VanDerWaalsContact C-N 3.34Å; E224-Q226 PolarHBondContact O-N 3Å; Q226-R230 PolarHBondContact O-N 3.37Å |
| 227 | E | 61.8 | Low | 63.2 | Low | 130 Ų | 130 | 126.4 Ų | 126.4 | 61% | 0.607 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -68.3 | -48.3 | 174.8 | -152.1 | 90.7 | -100.5 | 0 | 0 | 109.4 | E224 T229 R230 E231 | E224-E227 PolarHBondContact O-N 2.72Å; E227-T229 VanDerWaalsContact C-N 3.27Å; E227-T229 PolarHBondContact O-N 2.96Å; E227-R230 PolarHBondContact O-N 3.21Å; E227-E231 PolarHBondContact O-N 2.92Å; E227-E231 VanDerWaalsContact O-N 3.1Å |
| 228 | A | 63.7 | Low | 65.8 | Low | 56 Ų | 56 | 127.3 Ų | 127.3 | 46% | 0.463 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -56.8 | -37.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E224 R230 E231 L232 | E224-A228 VanDerWaalsContact O-CB 3.31Å; E224-A228 WeakPolarHBondContact O-CB 3.26Å; E224-A228 PolarHBondContact O-N 3.26Å; A228-R230 VanDerWaalsContact C-N 3.35Å; A228-R230 PolarHBondContact O-N 3.44Å; A228-E231 PolarHBondContact O-N 2.94Å; A228-L232 WeakPolarHBondContact O-CB 3.36Å; A228-L232 PolarHBondContact O-N 3.25Å |
| 229 | T | 70.4 | Confident | 68.5 | Low | 72 Ų | 72 | 123.8 Ų | 123.8 | 44% | 0.442 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -66 | -34.2 | 176.8 | -60.7 | 0 | 0 | 0 | 0 | 112.5 | S225 E227 L233 | S225-T229 WeakPolarHBondContact O-CB 3.47Å; S225-T229 PolarHBondContact O-N 3.22Å; S225-T229 PolarHBondContact O-OG1 2.9Å; E227-T229 VanDerWaalsContact C-N 3.27Å; E227-T229 PolarHBondContact O-N 2.96Å; T229-L233 PolarHBondContact O-N 3.39Å; T229-L233 VanDerWaalsContact O-N 3.13Å |
| 230 | R | 75.8 | Confident | 70.7 | Confident | 157 Ų | 157 | 119.6 Ų | 119.6 | 59% | 0.592 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -72.8 | -41.9 | 175.2 | -73.5 | -166.3 | 179.8 | 105.7 | 0.2 | 112.4 | Q226 E227 A228 L233 K234 | Q226-R230 PolarHBondContact O-N 3.37Å; E227-R230 PolarHBondContact O-N 3.21Å; A228-R230 VanDerWaalsContact C-N 3.35Å; A228-R230 PolarHBondContact O-N 3.44Å; R230-L233 PolarHBondContact O-N 3.38Å; R230-K234 PolarHBondContact O-N 2.97Å; R230-K234 VanDerWaalsContact O-N 3.11Å |
| 231 | E | 77.7 | Confident | 73.3 | Confident | 90 Ų | 90 | 115.6 Ų | 115.6 | 42% | 0.421 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67.7 | -36.9 | 174.9 | -62.3 | -47.7 | 121.3 | 0 | 0 | 111.6 | E227 A228 L233 K234 V235 | E227-E231 PolarHBondContact O-N 2.92Å; E227-E231 VanDerWaalsContact O-N 3.1Å; A228-E231 PolarHBondContact O-N 2.94Å; E231-L233 VanDerWaalsContact C-N 3.31Å; E231-L233 PolarHBondContact O-N 2.96Å; E231-K234 PolarHBondContact O-N 3.31Å; E231-K234 WeakPolarHBondContact OE1-CE 3.41Å; E231-K234 IonicContact OE1-NZ 2.65Å; E231-K234 PolarHBondContact OE1-NZ 3.27Å; E231-K234 WeakPolarHBondContact OE2-CD 3.33Å; E231-K234 IonicContact OE2-NZ 3.34Å; E231-K234 PolarHBondContact OE2-NZ 3.47Å; E231-V235 WeakPolarHBondContact O-CB 3.23Å; E231-V235 VanDerWaalsContact O-CG2 3.29Å; E231-V235 WeakPolarHBondContact O-CG2 3.42Å; E231-V235 PolarHBondContact O-N 3.42Å |
| 232 | L | 82.4 | Confident | 75.5 | Confident | 119 Ų | 119 | 109 Ų | 109 | 62% | 0.623 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -58.3 | -41.3 | 172.5 | -173.1 | 76.3 | 0 | 0 | 0 | 111.9 | A228 V235 K236 | A228-L232 WeakPolarHBondContact O-CB 3.36Å; A228-L232 PolarHBondContact O-N 3.25Å; L232-V235 PolarHBondContact O-N 3.48Å; L232-K236 VanDerWaalsContact O-CB 3.25Å; L232-K236 WeakPolarHBondContact O-CB 3.36Å; L232-K236 PolarHBondContact O-N 2.9Å |
| 233 | L | 83 | Confident | 77.6 | Confident | 94 Ų | 94 | 111.2 Ų | 111.2 | 49% | 0.492 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.7 | -48.7 | 174.8 | -82 | 162.7 | 0 | 0 | 0 | 111.7 | T229 R230 E231 V235 K236 D237 | T229-L233 PolarHBondContact O-N 3.39Å; T229-L233 VanDerWaalsContact O-N 3.13Å; R230-L233 PolarHBondContact O-N 3.38Å; E231-L233 VanDerWaalsContact C-N 3.31Å; E231-L233 PolarHBondContact O-N 2.96Å; L233-V235 VanDerWaalsContact C-N 3.33Å; L233-V235 PolarHBondContact O-N 3.45Å; L233-K236 WeakPolarHBondContact O-CB 3.49Å; L233-K236 PolarHBondContact O-N 2.77Å; L233-K236 VanDerWaalsContact O-N 3.12Å; L233-D237 PolarHBondContact O-N 3.19Å |
| 234 | K | 83.9 | Confident | 79.6 | Confident | 125 Ų | 125 | 108.8 Ų | 108.8 | 54% | 0.543 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -58.4 | -43.1 | 175.3 | -67.9 | 170.1 | -179.1 | 172.2 | 0 | 112.5 | R230 E231 K236 D237 R238 | R230-K234 PolarHBondContact O-N 2.97Å; R230-K234 VanDerWaalsContact O-N 3.11Å; E231-K234 PolarHBondContact O-N 3.31Å; E231-K234 WeakPolarHBondContact OE1-CE 3.41Å; E231-K234 IonicContact OE1-NZ 2.65Å; E231-K234 PolarHBondContact OE1-NZ 3.27Å; E231-K234 WeakPolarHBondContact OE2-CD 3.33Å; E231-K234 IonicContact OE2-NZ 3.34Å; E231-K234 PolarHBondContact OE2-NZ 3.47Å; K234-K236 VanDerWaalsContact C-N 3.33Å; K234-D237 PolarHBondContact O-N 2.98Å; K234-R238 VanDerWaalsContact O-CB 3.23Å; K234-R238 WeakPolarHBondContact O-CB 3.49Å; K234-R238 PolarHBondContact O-N 3.33Å |
| 235 | V | 85.7 | Confident | 81.6 | Confident | 96 Ų | 96 | 107.2 Ų | 107.2 | 58% | 0.582 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.5 | -36.9 | 177.1 | 169.4 | 0 | 0 | 0 | 0 | 110.9 | E231 L232 L233 L239 | E231-V235 WeakPolarHBondContact O-CB 3.23Å; E231-V235 VanDerWaalsContact O-CG2 3.29Å; E231-V235 WeakPolarHBondContact O-CG2 3.42Å; E231-V235 PolarHBondContact O-N 3.42Å; L232-V235 PolarHBondContact O-N 3.48Å; L233-V235 VanDerWaalsContact C-N 3.33Å; L233-V235 PolarHBondContact O-N 3.45Å; V235-L239 VanDerWaalsContact O-CB 3.3Å; V235-L239 WeakPolarHBondContact O-CB 3.36Å; V235-L239 PolarHBondContact O-N 3.19Å |
| 236 | K | 88.3 | Confident | 83.5 | Confident | 124 Ų | 124 | 108.4 Ų | 108.4 | 54% | 0.539 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69 | -42.3 | 175.3 | -174 | 179.6 | 179.6 | -178.3 | 0 | 112.5 | L232 L233 K234 L239 I240 | L232-K236 VanDerWaalsContact O-CB 3.25Å; L232-K236 WeakPolarHBondContact O-CB 3.36Å; L232-K236 PolarHBondContact O-N 2.9Å; L233-K236 WeakPolarHBondContact O-CB 3.49Å; L233-K236 PolarHBondContact O-N 2.77Å; L233-K236 VanDerWaalsContact O-N 3.12Å; K234-K236 VanDerWaalsContact C-N 3.33Å; K236-L239 WeakPolarHBondContact O-CB 3.34Å; K236-L239 PolarHBondContact O-N 3.22Å; K236-I240 HydrophobicContact CG-CD1 4.12Å; K236-I240 VanDerWaalsContact O-CG1 3.3Å; K236-I240 WeakPolarHBondContact O-CG1 3.29Å; K236-I240 PolarHBondContact O-N 3.23Å |
| 237 | D | 87.9 | Confident | 85.3 | Confident | 100 Ų | 100 | 104.2 Ų | 104.2 | 54% | 0.535 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.9 | -40.6 | 175.9 | -68.7 | -29.7 | 0 | 0 | 0 | 111 | L233 K234 L239 I240 E241 | L233-D237 PolarHBondContact O-N 3.19Å; K234-D237 PolarHBondContact O-N 2.98Å; D237-L239 VanDerWaalsContact C-N 3.33Å; D237-L239 PolarHBondContact O-N 3.42Å; D237-I240 PolarHBondContact O-N 3.14Å; D237-E241 WeakPolarHBondContact O-CB 3.44Å; D237-E241 PolarHBondContact O-N 3.39Å |
| 238 | R | 90.6 | Very high | 86.9 | Confident | 173 Ų | 173 | 101.5 Ų | 101.5 | 65% | 0.653 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.1 | -37.7 | 171.5 | -171 | 69 | 169 | -124.2 | -2.1 | 112.3 | K234 V242 | K234-R238 VanDerWaalsContact O-CB 3.23Å; K234-R238 WeakPolarHBondContact O-CB 3.49Å; K234-R238 PolarHBondContact O-N 3.33Å; R238-V242 WeakPolarHBondContact O-CB 3.37Å; R238-V242 VanDerWaalsContact O-CG2 3.3Å; R238-V242 WeakPolarHBondContact O-CG2 3.47Å; R238-V242 PolarHBondContact O-N 3.37Å |
| 239 | L | 92.1 | Very high | 88.4 | Confident | 90 Ų | 90 | 103.9 Ų | 103.9 | 47% | 0.471 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.9 | -46.7 | 174.3 | 178.2 | 62.8 | 0 | 0 | 0 | 110.9 | V235 K236 D237 E241 V242 E243 | V235-L239 VanDerWaalsContact O-CB 3.3Å; V235-L239 WeakPolarHBondContact O-CB 3.36Å; V235-L239 PolarHBondContact O-N 3.19Å; K236-L239 WeakPolarHBondContact O-CB 3.34Å; K236-L239 PolarHBondContact O-N 3.22Å; D237-L239 VanDerWaalsContact C-N 3.33Å; D237-L239 PolarHBondContact O-N 3.42Å; L239-E241 VanDerWaalsContact C-N 3.29Å; L239-E241 PolarHBondContact O-N 3Å; L239-V242 CarbonylContact O-C 3.57Å; L239-V242 PolarHBondContact O-N 3.04Å; L239-V242 VanDerWaalsContact O-N 3.14Å; L239-E243 HydrophobicContact CD1-CG 4.25Å; L239-E243 HydrophobicContact CG-CG 4.39Å; L239-E243 WeakPolarHBondContact O-CB 3.49Å; L239-E243 VanDerWaalsContact O-CG 3.32Å; L239-E243 WeakPolarHBondContact O-CG 3.39Å; L239-E243 PolarHBondContact O-N 3.31Å |
| 240 | I | 90.4 | Very high | 89.6 | Confident | 51 Ų | 51 | 106 Ų | 106 | 26% | 0.262 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62 | -37.1 | 176.7 | -68.6 | 163.2 | 0 | 0 | 0 | 111.3 | K236 D237 R244 | K236-I240 HydrophobicContact CG-CD1 4.12Å; K236-I240 VanDerWaalsContact O-CG1 3.3Å; K236-I240 WeakPolarHBondContact O-CG1 3.29Å; K236-I240 PolarHBondContact O-N 3.23Å; D237-I240 PolarHBondContact O-N 3.14Å; I240-R244 WeakPolarHBondContact O-CB 3.4Å; I240-R244 WeakPolarHBondContact O-CD 3.45Å; I240-R244 WeakPolarHBondContact O-CG 3.45Å; I240-R244 PolarHBondContact O-N 3Å |
| 241 | E | 92.7 | Very high | 90.5 | Very high | 102 Ų | 102 | 101.5 Ų | 101.5 | 48% | 0.477 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.7 | -46.2 | 172.3 | -177.6 | 178.9 | -144 | 0 | 0 | 111.7 | D237 L239 R244 N245 | D237-E241 WeakPolarHBondContact O-CB 3.44Å; D237-E241 PolarHBondContact O-N 3.39Å; L239-E241 VanDerWaalsContact C-N 3.29Å; L239-E241 PolarHBondContact O-N 3Å; E241-R244 PolarHBondContact O-N 3.44Å; E241-N245 WeakPolarHBondContact O-CB 3.43Å; E241-N245 VanDerWaalsContact O-CG 3.23Å; E241-N245 PolarHBondContact O-N 3.26Å; E241-N245 PolarHBondContact O-ND2 2.95Å |
| 242 | V | 93.1 | Very high | 91.3 | Very high | 82 Ų | 82 | 102.5 Ų | 102.5 | 50% | 0.497 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.8 | -40 | 175.9 | 168.5 | 0 | 0 | 0 | 0 | 111.9 | R238 L239 N245 N246 | R238-V242 WeakPolarHBondContact O-CB 3.37Å; R238-V242 VanDerWaalsContact O-CG2 3.3Å; R238-V242 WeakPolarHBondContact O-CG2 3.47Å; R238-V242 PolarHBondContact O-N 3.37Å; L239-V242 CarbonylContact O-C 3.57Å; L239-V242 PolarHBondContact O-N 3.04Å; L239-V242 VanDerWaalsContact O-N 3.14Å; V242-N245 PolarHBondContact O-N 2.87Å; V242-N246 VanDerWaalsContact O-CB 3.27Å; V242-N246 WeakPolarHBondContact O-CB 3.42Å; V242-N246 PolarHBondContact O-N 2.98Å |
| 243 | E | 92.3 | Very high | 92 | Very high | 110 Ų | 110 | 104.1 Ų | 104.1 | 51% | 0.514 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 175.5 | -74.8 | 173.5 | 168.9 | 0 | 0 | 111.7 | L239 N246 A247 | L239-E243 HydrophobicContact CD1-CG 4.25Å; L239-E243 HydrophobicContact CG-CG 4.39Å; L239-E243 WeakPolarHBondContact O-CB 3.49Å; L239-E243 VanDerWaalsContact O-CG 3.32Å; L239-E243 WeakPolarHBondContact O-CG 3.39Å; L239-E243 PolarHBondContact O-N 3.31Å; E243-N246 PolarHBondContact O-N 3.4Å; E243-A247 WeakPolarHBondContact O-CB 3.4Å; E243-A247 PolarHBondContact O-N 3.06Å |
| 244 | R | 93.3 | Very high | 92.7 | Very high | 175 Ų | 175 | 104.6 Ų | 104.6 | 66% | 0.66 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.8 | -46.3 | 173.4 | -76.3 | 168.6 | 177.5 | 159.9 | 1.1 | 111.9 | I240 E241 N246 A247 T248 | I240-R244 WeakPolarHBondContact O-CB 3.4Å; I240-R244 WeakPolarHBondContact O-CD 3.45Å; I240-R244 WeakPolarHBondContact O-CG 3.45Å; I240-R244 PolarHBondContact O-N 3Å; E241-R244 PolarHBondContact O-N 3.44Å; R244-N246 VanDerWaalsContact C-N 3.31Å; R244-N246 PolarHBondContact O-N 3Å; R244-A247 WeakPolarHBondContact O-CB 3.47Å; R244-A247 PolarHBondContact O-N 3.07Å; R244-T248 PolarHBondContact O-N 3.34Å; R244-T248 PolarHBondContact O-OG1 2.98Å |
| 245 | N | 95.5 | Very high | 93.3 | Very high | 83 Ų | 83 | 101.6 Ų | 101.6 | 44% | 0.444 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66 | -33.8 | 178 | -70.5 | -25.6 | 0 | 0 | 0 | 112.1 | E241 V242 T248 L249 | E241-N245 WeakPolarHBondContact O-CB 3.43Å; E241-N245 VanDerWaalsContact O-CG 3.23Å; E241-N245 PolarHBondContact O-N 3.26Å; E241-N245 PolarHBondContact O-ND2 2.95Å; V242-N245 PolarHBondContact O-N 2.87Å; N245-T248 WeakPolarHBondContact CA-OG1 3.44Å; N245-T248 PolarHBondContact O-OG1 2.88Å; N245-L249 WeakPolarHBondContact O-CB 3.43Å; N245-L249 WeakPolarHBondContact O-CD1 3.03Å; N245-L249 WeakPolarHBondContact O-CG 3.42Å; N245-L249 PolarHBondContact O-N 3.08Å |
| 246 | N | 95.1 | Very high | 93.8 | Very high | 97 Ų | 97 | 102.2 Ų | 102.2 | 52% | 0.519 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.5 | -40.1 | 172.3 | -168.5 | 21 | 0 | 0 | 0 | 111.1 | V242 E243 R244 Q250 | V242-N246 VanDerWaalsContact O-CB 3.27Å; V242-N246 WeakPolarHBondContact O-CB 3.42Å; V242-N246 PolarHBondContact O-N 2.98Å; E243-N246 PolarHBondContact O-N 3.4Å; R244-N246 VanDerWaalsContact C-N 3.31Å; R244-N246 PolarHBondContact O-N 3Å; N246-Q250 WeakPolarHBondContact O-CB 3.42Å; N246-Q250 PolarHBondContact O-N 2.75Å |
| 247 | A | 94.8 | Very high | 94.3 | Very high | 63 Ų | 63 | 103.1 Ų | 103.1 | 52% | 0.521 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65 | -40.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | E243 R244 Q250 A251 | E243-A247 WeakPolarHBondContact O-CB 3.4Å; E243-A247 PolarHBondContact O-N 3.06Å; R244-A247 WeakPolarHBondContact O-CB 3.47Å; R244-A247 PolarHBondContact O-N 3.07Å; A247-Q250 PolarHBondContact O-N 2.93Å; A247-A251 PolarHBondContact O-N 3.39Å |
| 248 | T | 95.2 | Very high | 94.7 | Very high | 73 Ų | 73 | 102.8 Ų | 102.8 | 45% | 0.448 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.5 | -48.4 | 174.5 | 52.4 | 0 | 0 | 0 | 0 | 111.7 | R244 N245 Q250 A251 E252 | R244-T248 PolarHBondContact O-N 3.34Å; R244-T248 PolarHBondContact O-OG1 2.98Å; N245-T248 WeakPolarHBondContact CA-OG1 3.44Å; N245-T248 PolarHBondContact O-OG1 2.88Å; T248-Q250 PolarHBondContact O-N 2.61Å; T248-A251 WeakPolarHBondContact O-CB 3.35Å; T248-A251 PolarHBondContact O-N 2.91Å; T248-E252 WeakPolarHBondContact O-CG 3.27Å; T248-E252 PolarHBondContact O-N 2.91Å |
| 249 | L | 95.7 | Very high | 95 | Very high | 105 Ų | 105 | 99.6 Ų | 99.6 | 55% | 0.55 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.3 | -36.4 | 174.9 | -72.8 | 169.6 | 0 | 0 | 0 | 112.3 | N245 K253 | N245-L249 WeakPolarHBondContact O-CB 3.43Å; N245-L249 WeakPolarHBondContact O-CD1 3.03Å; N245-L249 WeakPolarHBondContact O-CG 3.42Å; N245-L249 PolarHBondContact O-N 3.08Å; L249-K253 VanDerWaalsContact O-CB 3.23Å; L249-K253 WeakPolarHBondContact O-CB 3.44Å; L249-K253 PolarHBondContact O-N 2.94Å |
| 250 | Q | 95.5 | Very high | 95.3 | Very high | 118 Ų | 118 | 99.9 Ų | 99.9 | 55% | 0.551 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -70.5 | -35.6 | 175.5 | -175.4 | 161.5 | -43.1 | 0 | 0 | 112.1 | N246 A247 T248 Q254 | N246-Q250 WeakPolarHBondContact O-CB 3.42Å; N246-Q250 PolarHBondContact O-N 2.75Å; A247-Q250 PolarHBondContact O-N 2.93Å; T248-Q250 PolarHBondContact O-N 2.61Å; Q250-Q254 WeakPolarHBondContact O-CG 3.41Å; Q250-Q254 PolarHBondContact O-N 3.47Å |
| 251 | A | 94.8 | Very high | 95.6 | Very high | 62 Ų | 62 | 104.1 Ų | 104.1 | 51% | 0.512 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.9 | -47.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A247 T248 K253 Q254 A255 | A247-A251 PolarHBondContact O-N 3.39Å; T248-A251 WeakPolarHBondContact O-CB 3.35Å; T248-A251 PolarHBondContact O-N 2.91Å; A251-K253 VanDerWaalsContact C-N 3.31Å; A251-K253 PolarHBondContact O-N 3.16Å; A251-Q254 PolarHBondContact O-N 3.45Å; A251-Q254 VanDerWaalsContact O-N 3.1Å; A251-A255 PolarHBondContact O-N 2.75Å |
| 252 | E | 95.8 | Very high | 95.9 | Very high | 111 Ų | 111 | 104.6 Ų | 104.6 | 52% | 0.519 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -56.8 | -43.9 | 174.6 | -72 | 173 | -171.5 | 0 | 0 | 111.6 | T248 Q254 A255 L256 | T248-E252 WeakPolarHBondContact O-CG 3.27Å; T248-E252 PolarHBondContact O-N 2.91Å; E252-Q254 VanDerWaalsContact C-N 3.31Å; E252-Q254 PolarHBondContact O-N 3.42Å; E252-A255 WeakPolarHBondContact O-CB 3.45Å; E252-A255 PolarHBondContact O-N 3.03Å; E252-A255 VanDerWaalsContact O-N 3.16Å; E252-L256 WeakPolarHBondContact O-CB 3.15Å; E252-L256 WeakPolarHBondContact O-CG 3.35Å; E252-L256 PolarHBondContact O-N 3.31Å |
| 253 | K | 96.6 | Very high | 96.1 | Very high | 153 Ų | 153 | 105.3 Ų | 105.3 | 67% | 0.665 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -60.1 | -36.2 | 175.6 | -177.6 | 173 | -178.5 | 175.8 | 0 | 113.1 | L249 A251 K257 | L249-K253 VanDerWaalsContact O-CB 3.23Å; L249-K253 WeakPolarHBondContact O-CB 3.44Å; L249-K253 PolarHBondContact O-N 2.94Å; A251-K253 VanDerWaalsContact C-N 3.31Å; A251-K253 PolarHBondContact O-N 3.16Å; K253-K257 VanDerWaalsContact O-CB 3.28Å; K253-K257 WeakPolarHBondContact O-CB 3.29Å; K253-K257 PolarHBondContact O-N 3.02Å; K253-K257 VanDerWaalsContact O-N 3.09Å |
| 254 | Q | 96.7 | Very high | 96.3 | Very high | 103 Ų | 103 | 105 Ų | 105 | 48% | 0.481 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -75.9 | -35.2 | 174.5 | -62 | -64.8 | -0.8 | 0 | 0 | 112.3 | Q250 A251 E252 K257 T258 | Q250-Q254 WeakPolarHBondContact O-CG 3.41Å; Q250-Q254 PolarHBondContact O-N 3.47Å; A251-Q254 PolarHBondContact O-N 3.45Å; A251-Q254 VanDerWaalsContact O-N 3.1Å; E252-Q254 VanDerWaalsContact C-N 3.31Å; E252-Q254 PolarHBondContact O-N 3.42Å; Q254-K257 PolarHBondContact O-N 2.99Å; Q254-T258 WeakPolarHBondContact O-CB 3.45Å; Q254-T258 PolarHBondContact O-N 2.72Å; Q254-T258 PolarHBondContact O-OG1 3.39Å |
| 255 | A | 96.9 | Very high | 96.5 | Very high | 62 Ų | 62 | 99.9 Ų | 99.9 | 51% | 0.512 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.5 | -50.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | A251 E252 K257 T258 Q259 | A251-A255 PolarHBondContact O-N 2.75Å; E252-A255 WeakPolarHBondContact O-CB 3.45Å; E252-A255 PolarHBondContact O-N 3.03Å; E252-A255 VanDerWaalsContact O-N 3.16Å; A255-K257 VanDerWaalsContact C-N 3.35Å; A255-K257 PolarHBondContact O-N 2.81Å; A255-T258 WeakPolarHBondContact O-CB 3.46Å; A255-T258 PolarHBondContact O-N 2.78Å; A255-T258 VanDerWaalsContact O-N 3.1Å; A255-Q259 PolarHBondContact O-N 3.41Å |
| 256 | L | 97.1 | Very high | 96.7 | Very high | 110 Ų | 110 | 100.3 Ų | 100.3 | 58% | 0.576 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -59.4 | -42.2 | 175.1 | -71.3 | 170.8 | 0 | 0 | 0 | 112.1 | E252 T258 Q259 L260 | E252-L256 WeakPolarHBondContact O-CB 3.15Å; E252-L256 WeakPolarHBondContact O-CG 3.35Å; E252-L256 PolarHBondContact O-N 3.31Å; L256-T258 VanDerWaalsContact C-N 3.29Å; L256-T258 PolarHBondContact O-N 3.48Å; L256-Q259 PolarHBondContact O-N 2.94Å; L256-L260 WeakPolarHBondContact O-CB 3.29Å; L256-L260 PolarHBondContact O-N 3.07Å |
| 257 | K | 97.5 | Very high | 96.8 | Very high | 142 Ų | 142 | 100.4 Ų | 100.4 | 62% | 0.617 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.3 | -35.1 | 175.4 | -173.1 | 177.7 | -178.9 | -177.5 | 0 | 112.4 | K253 Q254 A255 K261 | K253-K257 VanDerWaalsContact O-CB 3.28Å; K253-K257 WeakPolarHBondContact O-CB 3.29Å; K253-K257 PolarHBondContact O-N 3.02Å; K253-K257 VanDerWaalsContact O-N 3.09Å; Q254-K257 PolarHBondContact O-N 2.99Å; A255-K257 VanDerWaalsContact C-N 3.35Å; A255-K257 PolarHBondContact O-N 2.81Å; K257-K261 PolarHBondContact O-N 3.19Å; K257-K261 VanDerWaalsContact O-N 3.15Å |
| 258 | T | 97.1 | Very high | 96.9 | Very high | 93 Ų | 93 | 102.2 Ų | 102.2 | 57% | 0.571 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -72 | -43 | 176.6 | -55.5 | 0 | 0 | 0 | 0 | 111.1 | Q254 A255 L256 K261 Q262 | Q254-T258 WeakPolarHBondContact O-CB 3.45Å; Q254-T258 PolarHBondContact O-N 2.72Å; Q254-T258 PolarHBondContact O-OG1 3.39Å; A255-T258 WeakPolarHBondContact O-CB 3.46Å; A255-T258 PolarHBondContact O-N 2.78Å; A255-T258 VanDerWaalsContact O-N 3.1Å; L256-T258 VanDerWaalsContact C-N 3.29Å; L256-T258 PolarHBondContact O-N 3.48Å; T258-K261 PolarHBondContact O-N 3.03Å; T258-Q262 PolarHBondContact O-N 3.44Å |
| 259 | Q | 97.6 | Very high | 97 | Very high | 107 Ų | 107 | 103.6 Ų | 103.6 | 50% | 0.5 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.8 | -43.3 | 174.7 | -173.8 | -178.6 | 8.6 | 0 | 0 | 112 | A255 L256 Q262 L263 | A255-Q259 PolarHBondContact O-N 3.41Å; L256-Q259 PolarHBondContact O-N 2.94Å; Q259-Q262 WeakPolarHBondContact O-CB 3.27Å; Q259-Q262 PolarHBondContact O-N 3.34Å; Q259-L263 HydrophobicContact CG-CD1 4.41Å; Q259-L263 WeakPolarHBondContact O-CG 3.37Å; Q259-L263 PolarHBondContact O-N 3.32Å |
| 260 | L | 97.4 | Very high | 97.1 | Very high | 96 Ų | 96 | 103.2 Ų | 103.2 | 50% | 0.503 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60 | -46.6 | 175.2 | -176.9 | 147.4 | 0 | 0 | 0 | 111.1 | L256 Q262 L263 E264 | L256-L260 WeakPolarHBondContact O-CB 3.29Å; L256-L260 PolarHBondContact O-N 3.07Å; L260-Q262 VanDerWaalsContact C-N 3.28Å; L260-Q262 PolarHBondContact O-N 2.9Å; L260-L263 PolarHBondContact O-N 3.08Å; L260-L263 VanDerWaalsContact O-N 3.15Å; L260-E264 HydrophobicContact CD2-CG 4.19Å; L260-E264 WeakPolarHBondContact CD2-OE1 3.43Å; L260-E264 WeakPolarHBondContact O-CG 3.46Å; L260-E264 PolarHBondContact O-N 2.84Å |
| 261 | K | 97.6 | Very high | 97.3 | Very high | 140 Ų | 140 | 102.9 Ų | 102.9 | 61% | 0.609 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.3 | -33.4 | 175.6 | -171.8 | 178.5 | 179.3 | -176.2 | 0 | 112.9 | K257 T258 T265 | K257-K261 PolarHBondContact O-N 3.19Å; K257-K261 VanDerWaalsContact O-N 3.15Å; T258-K261 PolarHBondContact O-N 3.03Å; K261-T265 WeakPolarHBondContact O-CG2 3.33Å; K261-T265 PolarHBondContact O-N 2.97Å; K261-T265 VanDerWaalsContact O-N 3.12Å; K261-T265 PolarHBondContact O-OG1 3.42Å |
| 262 | Q | 97.7 | Very high | 97.4 | Very high | 111 Ų | 111 | 102.7 Ų | 102.7 | 52% | 0.519 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69.5 | -39.5 | 174.5 | -174.4 | 175.9 | 0.2 | 0 | 0 | 111.9 | T258 Q259 L260 T265 Q266 | T258-Q262 PolarHBondContact O-N 3.44Å; Q259-Q262 WeakPolarHBondContact O-CB 3.27Å; Q259-Q262 PolarHBondContact O-N 3.34Å; L260-Q262 VanDerWaalsContact C-N 3.28Å; L260-Q262 PolarHBondContact O-N 2.9Å; Q262-T265 PolarHBondContact O-N 2.9Å; Q262-T265 PolarHBondContact O-OG1 3.29Å; Q262-Q266 WeakPolarHBondContact O-CB 3.35Å; Q262-Q266 WeakPolarHBondContact O-CG 3.41Å; Q262-Q266 PolarHBondContact O-N 2.94Å |
| 263 | L | 97.4 | Very high | 97.5 | Very high | 97 Ų | 97 | 103.1 Ų | 103.1 | 51% | 0.508 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.3 | -39 | 174.1 | -69.7 | 168.1 | 0 | 0 | 0 | 111.7 | Q259 L260 Q266 N267 | Q259-L263 HydrophobicContact CG-CD1 4.41Å; Q259-L263 WeakPolarHBondContact O-CG 3.37Å; Q259-L263 PolarHBondContact O-N 3.32Å; L260-L263 PolarHBondContact O-N 3.08Å; L260-L263 VanDerWaalsContact O-N 3.15Å; L263-Q266 PolarHBondContact O-N 3.42Å; L263-N267 WeakPolarHBondContact O-CB 3.47Å; L263-N267 PolarHBondContact O-N 3.36Å |
| 264 | E | 97.8 | Very high | 97.6 | Very high | 104 Ų | 104 | 100.2 Ų | 100.2 | 49% | 0.486 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.3 | -47.3 | 172.3 | -72.2 | 174.3 | 155.1 | 0 | 0 | 111.8 | L260 N267 N268 | L260-E264 HydrophobicContact CD2-CG 4.19Å; L260-E264 WeakPolarHBondContact CD2-OE1 3.43Å; L260-E264 WeakPolarHBondContact O-CG 3.46Å; L260-E264 PolarHBondContact O-N 2.84Å; E264-N267 PolarHBondContact O-N 3.44Å; E264-N268 WeakPolarHBondContact O-CB 3.34Å; E264-N268 PolarHBondContact O-N 2.94Å; E264-N268 PolarHBondContact O-ND2 3.36Å |
| 265 | T | 97.6 | Very high | 97.6 | Very high | 67 Ų | 67 | 99.5 Ų | 99.5 | 41% | 0.411 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.2 | -35.7 | 178.2 | 57.7 | 0 | 0 | 0 | 0 | 112.7 | K261 Q262 N269 | K261-T265 WeakPolarHBondContact O-CG2 3.33Å; K261-T265 PolarHBondContact O-N 2.97Å; K261-T265 VanDerWaalsContact O-N 3.12Å; K261-T265 PolarHBondContact O-OG1 3.42Å; Q262-T265 PolarHBondContact O-N 2.9Å; Q262-T265 PolarHBondContact O-OG1 3.29Å; T265-N269 WeakPolarHBondContact O-CB 3.39Å; T265-N269 PolarHBondContact O-N 3.3Å; T265-N269 PolarHBondContact O-ND2 3.5Å |
| 266 | Q | 97.8 | Very high | 97.7 | Very high | 92 Ų | 92 | 99.2 Ų | 99.2 | 43% | 0.43 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.7 | -44.5 | 172.6 | -75.4 | 176.7 | -19.4 | 0 | 0 | 112 | Q262 L263 N269 L270 | Q262-Q266 WeakPolarHBondContact O-CB 3.35Å; Q262-Q266 WeakPolarHBondContact O-CG 3.41Å; Q262-Q266 PolarHBondContact O-N 2.94Å; L263-Q266 PolarHBondContact O-N 3.42Å; Q266-N269 PolarHBondContact O-N 2.91Å; Q266-L270 WeakPolarHBondContact O-CG 3.43Å; Q266-L270 PolarHBondContact O-N 3.35Å |
| 267 | N | 97.4 | Very high | 97.8 | Very high | 100 Ų | 100 | 98.9 Ų | 98.9 | 54% | 0.535 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.2 | -44.6 | 178.5 | -164.8 | 21.9 | 0 | 0 | 0 | 111.5 | L263 E264 N269 L270 Q271 | L263-N267 WeakPolarHBondContact O-CB 3.47Å; L263-N267 PolarHBondContact O-N 3.36Å; E264-N267 PolarHBondContact O-N 3.44Å; N267-N269 VanDerWaalsContact C-N 3.32Å; N267-N269 PolarHBondContact O-N 3.34Å; N267-L270 PolarHBondContact O-N 2.84Å; N267-Q271 WeakPolarHBondContact O-CB 3.44Å; N267-Q271 PolarHBondContact O-N 3.27Å |
| 268 | N | 97.9 | Very high | 97.8 | Very high | 100 Ų | 100 | 97.3 Ų | 97.3 | 54% | 0.535 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.2 | -41.3 | 174.5 | -70.5 | -23.7 | 0 | 0 | 0 | 112.2 | E264 Q271 A272 | E264-N268 WeakPolarHBondContact O-CB 3.34Å; E264-N268 PolarHBondContact O-N 2.94Å; E264-N268 PolarHBondContact O-ND2 3.36Å; N268-Q271 PolarHBondContact O-N 2.87Å; N268-A272 WeakPolarHBondContact O-CB 3.47Å; N268-A272 PolarHBondContact O-N 3.3Å |
| 269 | N | 97.7 | Very high | 97.8 | Very high | 102 Ų | 102 | 102.2 Ų | 102.2 | 55% | 0.545 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.1 | -42 | 176.6 | -72.2 | -18.3 | 0 | 0 | 0 | 112.3 | T265 Q266 N267 A272 Q273 | T265-N269 WeakPolarHBondContact O-CB 3.39Å; T265-N269 PolarHBondContact O-N 3.3Å; T265-N269 PolarHBondContact O-ND2 3.5Å; Q266-N269 PolarHBondContact O-N 2.91Å; N267-N269 VanDerWaalsContact C-N 3.32Å; N267-N269 PolarHBondContact O-N 3.34Å; N269-A272 PolarHBondContact O-N 2.93Å; N269-Q273 WeakPolarHBondContact O-CG 3.35Å; N269-Q273 PolarHBondContact O-N 2.92Å |
| 270 | L | 97.9 | Very high | 97.9 | Very high | 97 Ų | 97 | 102.6 Ų | 102.6 | 51% | 0.508 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.5 | -42.1 | 175.4 | -71.7 | 169.7 | 0 | 0 | 0 | 111.5 | Q266 N267 A272 Q273 I274 | Q266-L270 WeakPolarHBondContact O-CG 3.43Å; Q266-L270 PolarHBondContact O-N 3.35Å; N267-L270 PolarHBondContact O-N 2.84Å; L270-A272 VanDerWaalsContact C-N 3.33Å; L270-A272 PolarHBondContact O-N 3.33Å; L270-Q273 WeakPolarHBondContact O-CB 3.47Å; L270-Q273 PolarHBondContact O-N 3.5Å; L270-Q273 VanDerWaalsContact O-N 3.16Å; L270-I274 WeakPolarHBondContact O-CG1 3.33Å; L270-I274 PolarHBondContact O-N 3.42Å |
| 271 | Q | 98.2 | Very high | 97.9 | Very high | 112 Ų | 112 | 102.2 Ų | 102.2 | 52% | 0.523 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.3 | -35.2 | 177.4 | -166.3 | 163.3 | 6.1 | 0 | 0 | 112.1 | N267 N268 I274 L275 | N267-Q271 WeakPolarHBondContact O-CB 3.44Å; N267-Q271 PolarHBondContact O-N 3.27Å; N268-Q271 PolarHBondContact O-N 2.87Å; Q271-I274 PolarHBondContact O-N 3.24Å; Q271-L275 WeakPolarHBondContact O-CG 3.42Å; Q271-L275 PolarHBondContact O-N 3.4Å |
| 272 | A | 97.7 | Very high | 97.9 | Very high | 58 Ų | 58 | 99.1 Ų | 99.1 | 48% | 0.479 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.3 | -39.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | N268 N269 L270 L275 A276 | N268-A272 WeakPolarHBondContact O-CB 3.47Å; N268-A272 PolarHBondContact O-N 3.3Å; N269-A272 PolarHBondContact O-N 2.93Å; L270-A272 VanDerWaalsContact C-N 3.33Å; L270-A272 PolarHBondContact O-N 3.33Å; A272-L275 PolarHBondContact O-N 3.49Å; A272-A276 PolarHBondContact O-N 2.91Å |
| 273 | Q | 98.3 | Very high | 97.9 | Very high | 120 Ų | 120 | 96.2 Ų | 96.2 | 56% | 0.561 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.1 | -41.6 | 174.1 | -72.4 | 177.7 | 1.1 | 0 | 0 | 112.2 | N269 L270 L275 A276 L277 | N269-Q273 WeakPolarHBondContact O-CG 3.35Å; N269-Q273 PolarHBondContact O-N 2.92Å; L270-Q273 WeakPolarHBondContact O-CB 3.47Å; L270-Q273 PolarHBondContact O-N 3.5Å; L270-Q273 VanDerWaalsContact O-N 3.16Å; Q273-L275 PolarHBondContact O-N 3.16Å; Q273-A276 PolarHBondContact O-N 3.45Å; Q273-L277 WeakPolarHBondContact O-CG 3.31Å; Q273-L277 PolarHBondContact O-N 3.13Å |
| 274 | I | 97.7 | Very high | 98 | Very high | 92 Ų | 92 | 96.1 Ų | 96.1 | 47% | 0.472 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.7 | -45.7 | 175.3 | -69.6 | 164.7 | 0 | 0 | 0 | 110.6 | L270 Q271 A276 L277 Q278 | L270-I274 WeakPolarHBondContact O-CG1 3.33Å; L270-I274 PolarHBondContact O-N 3.42Å; Q271-I274 PolarHBondContact O-N 3.24Å; I274-A276 VanDerWaalsContact C-N 3.34Å; I274-A276 PolarHBondContact O-N 2.88Å; I274-L277 PolarHBondContact O-N 3.05Å; I274-Q278 HydrophobicContact CG2-CG 4.47Å; I274-Q278 WeakPolarHBondContact O-CB 3.27Å; I274-Q278 VanDerWaalsContact O-CG 3.29Å; I274-Q278 WeakPolarHBondContact O-CG 3.49Å; I274-Q278 PolarHBondContact O-N 2.86Å |
| 275 | L | 98.4 | Very high | 98 | Very high | 87 Ų | 87 | 97.2 Ų | 97.2 | 46% | 0.455 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64 | -35.8 | 176.6 | -71.6 | 168 | 0 | 0 | 0 | 112.7 | Q271 A272 Q273 R279 | Q271-L275 WeakPolarHBondContact O-CG 3.42Å; Q271-L275 PolarHBondContact O-N 3.4Å; A272-L275 PolarHBondContact O-N 3.49Å; Q273-L275 PolarHBondContact O-N 3.16Å; L275-R279 WeakPolarHBondContact O-CG 3.41Å; L275-R279 PolarHBondContact O-N 3.13Å; L275-R279 VanDerWaalsContact O-N 3.17Å |
| 276 | A | 98.1 | Very high | 98 | Very high | 57 Ų | 57 | 99.4 Ų | 99.4 | 47% | 0.471 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.9 | -45.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | A272 Q273 I274 R279 Q280 | A272-A276 PolarHBondContact O-N 2.91Å; Q273-A276 PolarHBondContact O-N 3.45Å; I274-A276 VanDerWaalsContact C-N 3.34Å; I274-A276 PolarHBondContact O-N 2.88Å; A276-R279 PolarHBondContact O-N 3.4Å; A276-Q280 PolarHBondContact O-N 2.98Å |
| 277 | L | 98.2 | Very high | 98 | Very high | 102 Ų | 102 | 100.1 Ų | 100.1 | 53% | 0.534 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64 | -40.3 | 176.4 | -71 | 170 | 0 | 0 | 0 | 111.9 | Q273 I274 R279 Q280 T281 | Q273-L277 WeakPolarHBondContact O-CG 3.31Å; Q273-L277 PolarHBondContact O-N 3.13Å; I274-L277 PolarHBondContact O-N 3.05Å; L277-R279 PolarHBondContact O-N 2.97Å; L277-Q280 PolarHBondContact O-N 3.24Å; L277-T281 PolarHBondContact O-N 2.99Å; L277-T281 PolarHBondContact O-OG1 3.32Å; L277-T281 VanDerWaalsContact O-OG1 3.13Å |
| 278 | Q | 98.2 | Very high | 98 | Very high | 110 Ų | 110 | 99.6 Ų | 99.6 | 51% | 0.514 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.4 | -44.1 | 174.5 | -76.6 | 173 | -11.9 | 0 | 0 | 112 | I274 Q280 T281 V282 | I274-Q278 HydrophobicContact CG2-CG 4.47Å; I274-Q278 WeakPolarHBondContact O-CB 3.27Å; I274-Q278 VanDerWaalsContact O-CG 3.29Å; I274-Q278 WeakPolarHBondContact O-CG 3.49Å; I274-Q278 PolarHBondContact O-N 2.86Å; Q278-Q280 VanDerWaalsContact C-N 3.34Å; Q278-Q280 PolarHBondContact O-N 3.35Å; Q278-T281 PolarHBondContact O-N 3.17Å; Q278-V282 WeakPolarHBondContact O-CG2 3.34Å; Q278-V282 PolarHBondContact O-N 3.02Å; Q278-V282 VanDerWaalsContact O-N 3.08Å |
| 279 | R | 98.3 | Very high | 97.9 | Very high | 196 Ų | 196 | 98.2 Ų | 98.2 | 74% | 0.74 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.5 | -39.9 | 174.5 | -70.8 | 171 | -178.5 | -166.8 | 0 | 112.2 | L275 A276 L277 V282 S283 | L275-R279 WeakPolarHBondContact O-CG 3.41Å; L275-R279 PolarHBondContact O-N 3.13Å; L275-R279 VanDerWaalsContact O-N 3.17Å; A276-R279 PolarHBondContact O-N 3.4Å; L277-R279 PolarHBondContact O-N 2.97Å; R279-V282 PolarHBondContact O-N 3.39Å; R279-S283 PolarHBondContact O-N 3.2Å |
| 280 | Q | 98.3 | Very high | 97.9 | Very high | 115 Ų | 115 | 96.8 Ų | 96.8 | 54% | 0.537 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.3 | -42.8 | 176.2 | -171.7 | 177.3 | 4.2 | 0 | 0 | 111.8 | A276 L277 Q278 S283 L284 | A276-Q280 PolarHBondContact O-N 2.98Å; L277-Q280 PolarHBondContact O-N 3.24Å; Q278-Q280 VanDerWaalsContact C-N 3.34Å; Q278-Q280 PolarHBondContact O-N 3.35Å; Q280-S283 PolarHBondContact O-N 3.41Å; Q280-L284 HydrophobicContact CG-CD1 4.15Å; Q280-L284 WeakPolarHBondContact O-CB 3.48Å; Q280-L284 WeakPolarHBondContact O-CG 3.19Å; Q280-L284 PolarHBondContact O-N 2.66Å |
| 281 | T | 97.6 | Very high | 97.9 | Very high | 88 Ų | 88 | 96.8 Ų | 96.8 | 54% | 0.54 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.2 | -44.6 | 175.6 | -61.4 | 0 | 0 | 0 | 0 | 112 | L277 Q278 L284 Q285 | L277-T281 PolarHBondContact O-N 2.99Å; L277-T281 PolarHBondContact O-OG1 3.32Å; L277-T281 VanDerWaalsContact O-OG1 3.13Å; Q278-T281 PolarHBondContact O-N 3.17Å; T281-L284 PolarHBondContact O-N 2.78Å; T281-Q285 WeakPolarHBondContact O-CB 3.36Å; T281-Q285 PolarHBondContact O-N 3.24Å |
| 282 | V | 98.1 | Very high | 97.9 | Very high | 75 Ų | 75 | 96.8 Ų | 96.8 | 46% | 0.455 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.4 | -47.1 | 175.9 | 173.2 | 0 | 0 | 0 | 0 | 111 | Q278 R279 L284 Q285 E286 | Q278-V282 WeakPolarHBondContact O-CG2 3.34Å; Q278-V282 PolarHBondContact O-N 3.02Å; Q278-V282 VanDerWaalsContact O-N 3.08Å; R279-V282 PolarHBondContact O-N 3.39Å; V282-L284 VanDerWaalsContact C-N 3.34Å; V282-L284 PolarHBondContact O-N 3.21Å; V282-Q285 WeakPolarHBondContact O-CA 3.48Å; V282-Q285 WeakPolarHBondContact O-CB 3.46Å; V282-Q285 PolarHBondContact O-N 3.04Å; V282-E286 HydrophobicContact CG1-CG 4.48Å; V282-E286 WeakPolarHBondContact O-CG 3.49Å; V282-E286 PolarHBondContact O-N 2.93Å |
| 283 | S | 98.1 | Very high | 97.8 | Very high | 49 Ų | 49 | 97.7 Ų | 97.7 | 34% | 0.343 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.4 | -36.6 | 179.6 | -168.2 | 0 | 0 | 0 | 0 | 113.1 | R279 Q280 Q285 E286 Q287 | R279-S283 PolarHBondContact O-N 3.2Å; Q280-S283 PolarHBondContact O-N 3.41Å; S283-Q285 VanDerWaalsContact C-N 3.34Å; S283-E286 PolarHBondContact O-N 3.09Å; S283-Q287 VanDerWaalsContact O-CG 3.32Å; S283-Q287 WeakPolarHBondContact O-CG 3.29Å; S283-Q287 PolarHBondContact O-N 3.09Å |
| 284 | L | 98.1 | Very high | 97.7 | Very high | 95 Ų | 95 | 96.9 Ų | 96.9 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.2 | -34 | 172.4 | -72.4 | 170.6 | 0 | 0 | 0 | 112.3 | Q280 T281 V282 N288 | Q280-L284 HydrophobicContact CG-CD1 4.15Å; Q280-L284 WeakPolarHBondContact O-CB 3.48Å; Q280-L284 WeakPolarHBondContact O-CG 3.19Å; Q280-L284 PolarHBondContact O-N 2.66Å; T281-L284 PolarHBondContact O-N 2.78Å; V282-L284 VanDerWaalsContact C-N 3.34Å; V282-L284 PolarHBondContact O-N 3.21Å; L284-N288 WeakPolarHBondContact O-CB 3.4Å; L284-N288 PolarHBondContact O-N 3.01Å |
| 285 | Q | 98 | Very high | 97.5 | Very high | 128 Ų | 128 | 97.5 Ų | 97.5 | 60% | 0.598 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.5 | -42.4 | 174.5 | -173.3 | 174.5 | -8.9 | 0 | 0 | 111.6 | T281 V282 S283 N288 T289 | T281-Q285 WeakPolarHBondContact O-CB 3.36Å; T281-Q285 PolarHBondContact O-N 3.24Å; V282-Q285 WeakPolarHBondContact O-CA 3.48Å; V282-Q285 WeakPolarHBondContact O-CB 3.46Å; V282-Q285 PolarHBondContact O-N 3.04Å; S283-Q285 VanDerWaalsContact C-N 3.34Å; Q285-N288 PolarHBondContact O-N 3.45Å; Q285-T289 PolarHBondContact O-N 3.45Å; Q285-T289 PolarHBondContact O-OG1 3.47Å |
| 286 | E | 97.5 | Very high | 97.3 | Very high | 112 Ų | 112 | 95.8 Ų | 95.8 | 52% | 0.523 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.7 | -39.7 | 173.7 | -68.2 | 168.2 | 163.6 | 0 | 0 | 112.5 | V282 S283 T289 T290 | V282-E286 HydrophobicContact CG1-CG 4.48Å; V282-E286 WeakPolarHBondContact O-CG 3.49Å; V282-E286 PolarHBondContact O-N 2.93Å; S283-E286 PolarHBondContact O-N 3.09Å; E286-T289 PolarHBondContact O-OG1 3.16Å; E286-T289 VanDerWaalsContact O-OG1 3.06Å; E286-T290 WeakPolarHBondContact O-CB 3.41Å; E286-T290 PolarHBondContact O-N 3.03Å; E286-T290 PolarHBondContact O-OG1 3.36Å |
| 287 | Q | 97.9 | Very high | 97.2 | Very high | 108 Ų | 108 | 99.9 Ų | 99.9 | 51% | 0.505 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.3 | -40.7 | 173.7 | -72.7 | 174.2 | 16.4 | 0 | 0 | 111.5 | S283 T290 L291 | S283-Q287 VanDerWaalsContact O-CG 3.32Å; S283-Q287 WeakPolarHBondContact O-CG 3.29Å; S283-Q287 PolarHBondContact O-N 3.09Å; Q287-T290 WeakPolarHBondContact O-CB 3.4Å; Q287-T290 PolarHBondContact O-N 3.17Å; Q287-L291 WeakPolarHBondContact O-CG 3.26Å; Q287-L291 PolarHBondContact O-N 3.14Å |
| 288 | N | 96.9 | Very high | 97 | Very high | 89 Ų | 89 | 99.7 Ų | 99.7 | 48% | 0.476 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.9 | -44.6 | 179.2 | -163.3 | -16 | 0 | 0 | 0 | 112 | L284 Q285 T290 L291 Q292 | L284-N288 WeakPolarHBondContact O-CB 3.4Å; L284-N288 PolarHBondContact O-N 3.01Å; Q285-N288 PolarHBondContact O-N 3.45Å; N288-T290 VanDerWaalsContact C-N 3.29Å; N288-T290 PolarHBondContact O-N 2.9Å; N288-L291 PolarHBondContact O-N 3.22Å; N288-Q292 WeakPolarHBondContact O-CB 3.43Å; N288-Q292 VanDerWaalsContact O-CG 3.27Å; N288-Q292 WeakPolarHBondContact O-CG 3.49Å; N288-Q292 PolarHBondContact O-N 3.43Å; N288-Q292 PolarHBondContact OD1-NE2 3.04Å |
| 289 | T | 97.6 | Very high | 96.8 | Very high | 70 Ų | 70 | 101.1 Ų | 101.1 | 43% | 0.429 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.3 | -34.1 | 174.4 | 56.3 | 0 | 0 | 0 | 0 | 112.2 | Q285 E286 T293 | Q285-T289 PolarHBondContact O-N 3.45Å; Q285-T289 PolarHBondContact O-OG1 3.47Å; E286-T289 PolarHBondContact O-OG1 3.16Å; E286-T289 VanDerWaalsContact O-OG1 3.06Å; T289-T293 WeakPolarHBondContact O-CB 3.41Å; T289-T293 PolarHBondContact O-N 3.47Å; T289-T293 PolarHBondContact O-OG1 2.95Å |
| 290 | T | 97.8 | Very high | 96.7 | Very high | 73 Ų | 73 | 96.4 Ų | 96.4 | 45% | 0.448 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.4 | -47.5 | 173.1 | -59.1 | 0 | 0 | 0 | 0 | 111.4 | E286 Q287 N288 T293 Q294 | E286-T290 WeakPolarHBondContact O-CB 3.41Å; E286-T290 PolarHBondContact O-N 3.03Å; E286-T290 PolarHBondContact O-OG1 3.36Å; Q287-T290 WeakPolarHBondContact O-CB 3.4Å; Q287-T290 PolarHBondContact O-N 3.17Å; N288-T290 VanDerWaalsContact C-N 3.29Å; N288-T290 PolarHBondContact O-N 2.9Å; T290-T293 WeakPolarHBondContact O-CB 3.48Å; T290-T293 PolarHBondContact O-N 3.13Å; T290-Q294 WeakPolarHBondContact O-CG 3.32Å; T290-Q294 PolarHBondContact O-N 2.76Å |
| 291 | L | 97.9 | Very high | 96.5 | Very high | 97 Ų | 97 | 96.1 Ų | 96.1 | 51% | 0.508 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65 | -39.8 | 177.4 | -72.6 | 169.4 | 0 | 0 | 0 | 112.6 | Q287 N288 T293 Q294 N295 | Q287-L291 WeakPolarHBondContact O-CG 3.26Å; Q287-L291 PolarHBondContact O-N 3.14Å; N288-L291 PolarHBondContact O-N 3.22Å; L291-T293 VanDerWaalsContact C-N 3.33Å; L291-T293 PolarHBondContact O-N 2.96Å; L291-Q294 PolarHBondContact O-N 3.29Å; L291-N295 PolarHBondContact O-N 3.22Å; L291-N295 PolarHBondContact O-ND2 3.35Å |
| 292 | Q | 97.4 | Very high | 96 | Very high | 112 Ų | 112 | 97.3 Ų | 97.3 | 52% | 0.523 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.7 | -42.6 | 172.8 | -71.1 | 171.6 | 21 | 0 | 0 | 111.5 | N288 Q294 N295 A296 | N288-Q292 WeakPolarHBondContact O-CB 3.43Å; N288-Q292 VanDerWaalsContact O-CG 3.27Å; N288-Q292 WeakPolarHBondContact O-CG 3.49Å; N288-Q292 PolarHBondContact O-N 3.43Å; N288-Q292 PolarHBondContact OD1-NE2 3.04Å; Q292-Q294 VanDerWaalsContact C-N 3.34Å; Q292-Q294 PolarHBondContact O-N 3.06Å; Q292-N295 PolarHBondContact O-N 3.15Å; Q292-A296 WeakPolarHBondContact O-CB 3.47Å; Q292-A296 PolarHBondContact O-N 3.32Å |
| 293 | T | 95.6 | Very high | 95.6 | Very high | 77 Ų | 77 | 97.2 Ų | 97.2 | 47% | 0.472 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.4 | -37.5 | 176.1 | -57.1 | 0 | 0 | 0 | 0 | 112.1 | T289 T290 L291 K297 | T289-T293 WeakPolarHBondContact O-CB 3.41Å; T289-T293 PolarHBondContact O-N 3.47Å; T289-T293 PolarHBondContact O-OG1 2.95Å; T290-T293 WeakPolarHBondContact O-CB 3.48Å; T290-T293 PolarHBondContact O-N 3.13Å; L291-T293 VanDerWaalsContact C-N 3.33Å; L291-T293 PolarHBondContact O-N 2.96Å; T293-K297 WeakPolarHBondContact O-CG 3.45Å; T293-K297 PolarHBondContact O-N 2.66Å |
| 294 | Q | 96.6 | Very high | 95 | Very high | 102 Ų | 102 | 97.8 Ų | 97.8 | 48% | 0.477 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.1 | -44.8 | 174.8 | -72.1 | 176.1 | -2.7 | 0 | 0 | 112 | T290 L291 Q292 A296 K297 L298 | T290-Q294 WeakPolarHBondContact O-CG 3.32Å; T290-Q294 PolarHBondContact O-N 2.76Å; L291-Q294 PolarHBondContact O-N 3.29Å; Q292-Q294 VanDerWaalsContact C-N 3.34Å; Q292-Q294 PolarHBondContact O-N 3.06Å; Q294-A296 VanDerWaalsContact C-N 3.35Å; Q294-A296 PolarHBondContact O-N 3.22Å; Q294-K297 PolarHBondContact O-N 2.91Å; Q294-L298 WeakPolarHBondContact O-CG 3.41Å; Q294-L298 PolarHBondContact O-N 2.71Å |
| 295 | N | 93.6 | Very high | 94.5 | Very high | 105 Ų | 105 | 97.8 Ų | 97.8 | 56% | 0.561 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.1 | -42.3 | 175.4 | -78.6 | -32.6 | 0 | 0 | 0 | 112.2 | L291 Q292 K297 L298 Q299 | L291-N295 PolarHBondContact O-N 3.22Å; L291-N295 PolarHBondContact O-ND2 3.35Å; Q292-N295 PolarHBondContact O-N 3.15Å; N295-K297 VanDerWaalsContact C-N 3.35Å; N295-K297 PolarHBondContact O-N 2.94Å; N295-L298 PolarHBondContact O-N 3.47Å; N295-Q299 WeakPolarHBondContact O-CB 3.35Å; N295-Q299 PolarHBondContact O-N 2.83Å |
| 296 | A | 93.9 | Very high | 93.9 | Very high | 51 Ų | 51 | 96.5 Ų | 96.5 | 42% | 0.421 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.6 | -42 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q292 Q294 Q299 V300 | Q292-A296 WeakPolarHBondContact O-CB 3.47Å; Q292-A296 PolarHBondContact O-N 3.32Å; Q294-A296 VanDerWaalsContact C-N 3.35Å; Q294-A296 PolarHBondContact O-N 3.22Å; A296-Q299 PolarHBondContact O-N 3.45Å; A296-V300 WeakPolarHBondContact O-CG2 3.26Å; A296-V300 PolarHBondContact O-N 3.11Å; A296-V300 VanDerWaalsContact O-N 3.12Å |
| 297 | K | 94.4 | Very high | 93.2 | Very high | 144 Ų | 144 | 94.6 Ų | 94.6 | 63% | 0.626 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.5 | -48 | 174.9 | -73.2 | 174.3 | 178.8 | -176.6 | 0 | 112.1 | T293 Q294 N295 Q299 V300 E301 | T293-K297 WeakPolarHBondContact O-CG 3.45Å; T293-K297 PolarHBondContact O-N 2.66Å; Q294-K297 PolarHBondContact O-N 2.91Å; N295-K297 VanDerWaalsContact C-N 3.35Å; N295-K297 PolarHBondContact O-N 2.94Å; K297-Q299 VanDerWaalsContact C-N 3.29Å; K297-Q299 PolarHBondContact O-N 3Å; K297-V300 PolarHBondContact O-N 2.88Å; K297-E301 WeakPolarHBondContact O-CB 3.24Å; K297-E301 PolarHBondContact O-N 3.34Å |
| 298 | L | 95.2 | Very high | 92.7 | Very high | 98 Ų | 98 | 94.3 Ų | 94.3 | 51% | 0.513 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.6 | -34.6 | 177.8 | -69.7 | 170.5 | 0 | 0 | 0 | 112.3 | Q294 N295 N302 | Q294-L298 WeakPolarHBondContact O-CG 3.41Å; Q294-L298 PolarHBondContact O-N 2.71Å; N295-L298 PolarHBondContact O-N 3.47Å; L298-N302 WeakPolarHBondContact O-CB 3.49Å; L298-N302 PolarHBondContact O-N 2.78Å |
| 299 | Q | 94.6 | Very high | 91.9 | Very high | 140 Ų | 140 | 93.7 Ų | 93.7 | 65% | 0.654 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.6 | -40.3 | 175.3 | -174.2 | 176.4 | -0.6 | 0 | 0 | 112.1 | N295 A296 K297 S303 | N295-Q299 WeakPolarHBondContact O-CB 3.35Å; N295-Q299 PolarHBondContact O-N 2.83Å; A296-Q299 PolarHBondContact O-N 3.45Å; K297-Q299 VanDerWaalsContact C-N 3.29Å; K297-Q299 PolarHBondContact O-N 3Å; Q299-S303 WeakPolarHBondContact O-CB 3.41Å; Q299-S303 PolarHBondContact O-N 2.95Å; Q299-S303 PolarHBondContact O-OG 2.81Å |
| 300 | V | 95.4 | Very high | 91.4 | Very high | 96 Ų | 96 | 93.6 Ų | 93.6 | 58% | 0.582 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.8 | -44.3 | 174.3 | 172.4 | 0 | 0 | 0 | 0 | 111.2 | A296 K297 S303 T304 | A296-V300 WeakPolarHBondContact O-CG2 3.26Å; A296-V300 PolarHBondContact O-N 3.11Å; A296-V300 VanDerWaalsContact O-N 3.12Å; K297-V300 PolarHBondContact O-N 2.88Å; V300-S303 PolarHBondContact O-N 2.74Å; V300-T304 WeakPolarHBondContact O-CB 3.38Å; V300-T304 PolarHBondContact O-N 3.5Å; V300-T304 PolarHBondContact O-OG1 2.83Å |
| 301 | E | 93.1 | Very high | 90.8 | Very high | 109 Ų | 109 | 93 Ų | 93 | 51% | 0.509 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.7 | -48.4 | 177.6 | -175.8 | 176 | -175.8 | 0 | 0 | 111.6 | K297 S303 T304 L305 | K297-E301 WeakPolarHBondContact O-CB 3.24Å; K297-E301 PolarHBondContact O-N 3.34Å; E301-S303 PolarHBondContact O-N 2.89Å; E301-T304 WeakPolarHBondContact O-CB 3.43Å; E301-T304 PolarHBondContact O-N 2.77Å; E301-T304 VanDerWaalsContact O-N 3.09Å; E301-L305 HydrophobicContact CG-CD1 4.14Å; E301-L305 WeakPolarHBondContact O-CG 3.44Å; E301-L305 PolarHBondContact O-N 3.18Å |
| 302 | N | 88.3 | Confident | 89.9 | Confident | 114 Ų | 114 | 93.1 Ų | 93.1 | 61% | 0.61 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.7 | -42.9 | 176.2 | -169.8 | -14.4 | 0 | 0 | 0 | 111.8 | L298 T304 L305 N306 | L298-N302 WeakPolarHBondContact O-CB 3.49Å; L298-N302 PolarHBondContact O-N 2.78Å; N302-T304 VanDerWaalsContact C-N 3.29Å; N302-T304 PolarHBondContact O-N 3.17Å; N302-L305 PolarHBondContact O-N 3.13Å; N302-N306 VanDerWaalsContact O-CB 3.31Å; N302-N306 WeakPolarHBondContact O-CB 3.42Å; N302-N306 PolarHBondContact O-N 2.86Å |
| 303 | S | 90 | Very high | 89.4 | Confident | 72 Ų | 72 | 94.8 Ų | 94.8 | 50% | 0.503 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.4 | -38.8 | 173.5 | -57.6 | 0 | 0 | 0 | 0 | 112.4 | Q299 V300 E301 S307 | Q299-S303 WeakPolarHBondContact O-CB 3.41Å; Q299-S303 PolarHBondContact O-N 2.95Å; Q299-S303 PolarHBondContact O-OG 2.81Å; V300-S303 PolarHBondContact O-N 2.74Å; E301-S303 PolarHBondContact O-N 2.89Å; S303-S307 PolarHBondContact O-N 2.83Å; S303-S307 VanDerWaalsContact O-N 3.1Å |
| 304 | T | 85 | Confident | 88.8 | Confident | 62 Ų | 62 | 95.3 Ų | 95.3 | 38% | 0.38 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.7 | -49.5 | 177.5 | -57.8 | 0 | 0 | 0 | 0 | 111 | V300 E301 N302 N306 S307 Q308 | V300-T304 WeakPolarHBondContact O-CB 3.38Å; V300-T304 PolarHBondContact O-N 3.5Å; V300-T304 PolarHBondContact O-OG1 2.83Å; E301-T304 WeakPolarHBondContact O-CB 3.43Å; E301-T304 PolarHBondContact O-N 2.77Å; E301-T304 VanDerWaalsContact O-N 3.09Å; N302-T304 VanDerWaalsContact C-N 3.29Å; N302-T304 PolarHBondContact O-N 3.17Å; T304-N306 VanDerWaalsContact C-N 3.34Å; T304-N306 PolarHBondContact O-N 3.26Å; T304-S307 WeakPolarHBondContact O-CB 3.47Å; T304-S307 PolarHBondContact O-N 3.35Å; T304-S307 VanDerWaalsContact O-N 3.12Å; T304-S307 PolarHBondContact O-OG 2.94Å; T304-Q308 WeakPolarHBondContact O-CG 3.5Å; T304-Q308 PolarHBondContact O-N 3.3Å |
| 305 | L | 87.4 | Confident | 88.2 | Confident | 94 Ų | 94 | 94.9 Ų | 94.9 | 49% | 0.492 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.1 | -41.3 | 177.1 | -70.8 | 170.2 | 0 | 0 | 0 | 112.1 | E301 N302 S307 Q308 S309 | E301-L305 HydrophobicContact CG-CD1 4.14Å; E301-L305 WeakPolarHBondContact O-CG 3.44Å; E301-L305 PolarHBondContact O-N 3.18Å; N302-L305 PolarHBondContact O-N 3.13Å; L305-S307 VanDerWaalsContact C-N 3.32Å; L305-S307 PolarHBondContact O-N 3.02Å; L305-Q308 PolarHBondContact O-N 3.48Å; L305-S309 WeakPolarHBondContact O-CB 3.38Å; L305-S309 PolarHBondContact O-N 2.89Å |
| 306 | N | 85.9 | Confident | 87.2 | Confident | 102 Ų | 102 | 94.6 Ų | 94.6 | 55% | 0.545 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.4 | -37.7 | 175.2 | -173.1 | 50.9 | 0 | 0 | 0 | 112.2 | N302 T304 T310 | N302-N306 VanDerWaalsContact O-CB 3.31Å; N302-N306 WeakPolarHBondContact O-CB 3.42Å; N302-N306 PolarHBondContact O-N 2.86Å; T304-N306 VanDerWaalsContact C-N 3.34Å; T304-N306 PolarHBondContact O-N 3.26Å; N306-T310 WeakPolarHBondContact O-CB 3.36Å; N306-T310 PolarHBondContact O-N 2.98Å; N306-T310 PolarHBondContact O-OG1 2.92Å |
| 307 | S | 82.6 | Confident | 86.8 | Confident | 71 Ų | 71 | 94.4 Ų | 94.4 | 50% | 0.497 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67 | -39.1 | 174.6 | 82 | 0 | 0 | 0 | 0 | 112.5 | S303 T304 L305 T310 S311 | S303-S307 PolarHBondContact O-N 2.83Å; S303-S307 VanDerWaalsContact O-N 3.1Å; T304-S307 WeakPolarHBondContact O-CB 3.47Å; T304-S307 PolarHBondContact O-N 3.35Å; T304-S307 VanDerWaalsContact O-N 3.12Å; T304-S307 PolarHBondContact O-OG 2.94Å; L305-S307 VanDerWaalsContact C-N 3.32Å; L305-S307 PolarHBondContact O-N 3.02Å; S307-T310 PolarHBondContact O-N 2.95Å; S307-S311 PolarHBondContact O-N 3.26Å |
| 308 | Q | 86.1 | Confident | 86.3 | Confident | 103 Ų | 103 | 91.9 Ų | 91.9 | 48% | 0.481 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.7 | -45.6 | 175.8 | -69.5 | 175.5 | -4.9 | 0 | 0 | 111.7 | T304 L305 T310 S311 L312 | T304-Q308 WeakPolarHBondContact O-CG 3.5Å; T304-Q308 PolarHBondContact O-N 3.3Å; L305-Q308 PolarHBondContact O-N 3.48Å; Q308-T310 VanDerWaalsContact C-N 3.31Å; Q308-T310 PolarHBondContact O-N 3.25Å; Q308-S311 WeakPolarHBondContact O-CB 3.34Å; Q308-S311 PolarHBondContact O-N 3.28Å; Q308-S311 VanDerWaalsContact O-N 3.08Å; Q308-L312 WeakPolarHBondContact O-CG 3.37Å; Q308-L312 PolarHBondContact O-N 3.02Å |
| 309 | S | 81.5 | Confident | 85.7 | Confident | 76 Ų | 76 | 92 Ų | 92 | 53% | 0.531 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -56.2 | -45.7 | 173.8 | -176.4 | 0 | 0 | 0 | 0 | 111.5 | L305 S311 L312 M313 | L305-S309 WeakPolarHBondContact O-CB 3.38Å; L305-S309 PolarHBondContact O-N 2.89Å; S309-S311 VanDerWaalsContact C-N 3.34Å; S309-S311 PolarHBondContact O-N 3.45Å; S309-L312 PolarHBondContact O-N 2.87Å; S309-M313 WeakPolarHBondContact O-CB 3.45Å; S309-M313 PolarHBondContact O-N 3.16Å |
| 310 | T | 86.9 | Confident | 85.2 | Confident | 68 Ų | 68 | 90.6 Ų | 90.6 | 42% | 0.417 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.6 | -40.8 | 174.7 | -56.5 | 0 | 0 | 0 | 0 | 111.7 | N306 S307 Q308 M313 N314 | N306-T310 WeakPolarHBondContact O-CB 3.36Å; N306-T310 PolarHBondContact O-N 2.98Å; N306-T310 PolarHBondContact O-OG1 2.92Å; S307-T310 PolarHBondContact O-N 2.95Å; Q308-T310 VanDerWaalsContact C-N 3.31Å; Q308-T310 PolarHBondContact O-N 3.25Å; T310-M313 PolarHBondContact O-N 3.46Å; T310-N314 PolarHBondContact O-N 2.95Å; T310-N314 VanDerWaalsContact O-N 3.11Å; T310-N314 PolarHBondContact O-ND2 3.29Å |
| 311 | S | 84.4 | Confident | 85 | Confident | 60 Ų | 60 | 91.1 Ų | 91.1 | 42% | 0.42 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.8 | -48.4 | 176.6 | -167.2 | 0 | 0 | 0 | 0 | 112.1 | S307 Q308 S309 M313 N314 Q315 | S307-S311 PolarHBondContact O-N 3.26Å; Q308-S311 WeakPolarHBondContact O-CB 3.34Å; Q308-S311 PolarHBondContact O-N 3.28Å; Q308-S311 VanDerWaalsContact O-N 3.08Å; S309-S311 VanDerWaalsContact C-N 3.34Å; S309-S311 PolarHBondContact O-N 3.45Å; S311-M313 VanDerWaalsContact C-N 3.34Å; S311-M313 PolarHBondContact O-N 3.24Å; S311-N314 PolarHBondContact O-N 3.39Å; S311-Q315 PolarHBondContact O-N 2.91Å |
| 312 | L | 80.5 | Confident | 84.6 | Confident | 100 Ų | 100 | 91.4 Ų | 91.4 | 52% | 0.524 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.1 | -38.6 | 177.7 | -69.8 | 169.2 | 0 | 0 | 0 | 112.1 | Q308 S309 N314 Q315 N316 | Q308-L312 WeakPolarHBondContact O-CG 3.37Å; Q308-L312 PolarHBondContact O-N 3.02Å; S309-L312 PolarHBondContact O-N 2.87Å; L312-N314 PolarHBondContact O-N 3.39Å; L312-Q315 PolarHBondContact O-N 3.42Å; L312-N316 PolarHBondContact O-N 3.39Å |
| 313 | M | 86.9 | Confident | 84.1 | Confident | 146 Ų | 146 | 90.9 Ų | 90.9 | 72% | 0.719 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.6 | -39.5 | 175.4 | -170.4 | 177.3 | -175.5 | 0 | 0 | 112.1 | S309 T310 S311 A317 | S309-M313 WeakPolarHBondContact O-CB 3.45Å; S309-M313 PolarHBondContact O-N 3.16Å; T310-M313 PolarHBondContact O-N 3.46Å; S311-M313 VanDerWaalsContact C-N 3.34Å; S311-M313 PolarHBondContact O-N 3.24Å; M313-A317 PolarHBondContact O-N 3.19Å |
| 314 | N | 82.4 | Confident | 84 | Confident | 88 Ų | 88 | 90 Ų | 90 | 47% | 0.471 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.2 | -41.2 | 174 | -76.5 | -70.5 | 0 | 0 | 0 | 112 | T310 S311 L312 A317 Q318 | T310-N314 PolarHBondContact O-N 2.95Å; T310-N314 VanDerWaalsContact O-N 3.11Å; T310-N314 PolarHBondContact O-ND2 3.29Å; S311-N314 PolarHBondContact O-N 3.39Å; L312-N314 PolarHBondContact O-N 3.39Å; N314-A317 PolarHBondContact O-N 3.28Å; N314-Q318 WeakPolarHBondContact O-CG 3.45Å; N314-Q318 PolarHBondContact O-N 3.29Å |
| 315 | Q | 84.3 | Confident | 84.1 | Confident | 94 Ų | 94 | 90.6 Ų | 90.6 | 44% | 0.439 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.2 | -44 | 176.3 | -73 | 177.3 | -24.7 | 0 | 0 | 112 | S311 L312 A317 Q318 L319 | S311-Q315 PolarHBondContact O-N 2.91Å; L312-Q315 PolarHBondContact O-N 3.42Å; Q315-A317 VanDerWaalsContact C-N 3.31Å; Q315-A317 PolarHBondContact O-N 3.45Å; Q315-Q318 PolarHBondContact O-N 2.98Å; Q315-L319 WeakPolarHBondContact O-CG 3.35Å; Q315-L319 PolarHBondContact O-N 3.02Å |
| 316 | N | 72.9 | Confident | 83.7 | Confident | 99 Ų | 99 | 90.6 Ų | 90.6 | 53% | 0.529 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.1 | -39.1 | 174.3 | -74.9 | -19.8 | 0 | 0 | 0 | 112 | L312 L319 L320 | L312-N316 PolarHBondContact O-N 3.39Å; N316-L319 PolarHBondContact O-N 3.49Å; N316-L320 WeakPolarHBondContact O-CG 3.44Å; N316-L320 PolarHBondContact O-N 3.25Å |
| 317 | A | 85.1 | Confident | 83.7 | Confident | 47 Ų | 47 | 90.7 Ų | 90.7 | 39% | 0.388 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.1 | -39.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | M313 N314 Q315 I321 | M313-A317 PolarHBondContact O-N 3.19Å; N314-A317 PolarHBondContact O-N 3.28Å; Q315-A317 VanDerWaalsContact C-N 3.31Å; Q315-A317 PolarHBondContact O-N 3.45Å; A317-I321 WeakPolarHBondContact O-CD1 3.21Å; A317-I321 VanDerWaalsContact O-CG1 3.31Å; A317-I321 WeakPolarHBondContact O-CG1 2.99Å; A317-I321 PolarHBondContact O-N 3.47Å |
| 318 | Q | 83.3 | Confident | 84 | Confident | 90 Ų | 90 | 92 Ų | 92 | 42% | 0.421 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.8 | -45.4 | 173 | -74.1 | 171.1 | -34 | 0 | 0 | 111.5 | E84 N314 Q315 I321 Q322 | E84-Q318 PolarHBondContact OE1-NE2 3.03Å; N314-Q318 WeakPolarHBondContact O-CG 3.45Å; N314-Q318 PolarHBondContact O-N 3.29Å; Q315-Q318 PolarHBondContact O-N 2.98Å; Q318-I321 PolarHBondContact O-N 2.86Å; Q318-Q322 PolarHBondContact O-N 3.18Å |
| 319 | L | 82.8 | Confident | 84.1 | Confident | 100 Ų | 100 | 92.3 Ų | 92.3 | 52% | 0.524 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63 | -41.5 | 178.6 | -72.4 | 170.6 | 0 | 0 | 0 | 112.6 | Q315 N316 I321 Q322 Q323 | Q315-L319 WeakPolarHBondContact O-CG 3.35Å; Q315-L319 PolarHBondContact O-N 3.02Å; N316-L319 PolarHBondContact O-N 3.49Å; L319-I321 VanDerWaalsContact C-N 3.33Å; L319-I321 PolarHBondContact O-N 2.96Å; L319-Q322 PolarHBondContact O-N 2.97Å; L319-Q323 WeakPolarHBondContact O-CB 3.49Å; L319-Q323 PolarHBondContact O-N 2.95Å |
| 320 | L | 85.3 | Confident | 84.2 | Confident | 112 Ų | 112 | 93.3 Ų | 93.3 | 59% | 0.586 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.8 | -38.4 | 175.3 | -73.8 | 168.1 | 0 | 0 | 0 | 112.4 | N316 S324 | N316-L320 WeakPolarHBondContact O-CG 3.44Å; N316-L320 PolarHBondContact O-N 3.25Å; L320-S324 WeakPolarHBondContact O-CB 3.36Å; L320-S324 PolarHBondContact O-N 3.36Å |
| 321 | I | 90.7 | Very high | 84.5 | Confident | 107 Ų | 107 | 96.7 Ų | 96.7 | 55% | 0.549 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.2 | -40.3 | 174.6 | -68 | 165.1 | 0 | 0 | 0 | 110.8 | A317 Q318 L319 S325 | A317-I321 WeakPolarHBondContact O-CD1 3.21Å; A317-I321 VanDerWaalsContact O-CG1 3.31Å; A317-I321 WeakPolarHBondContact O-CG1 2.99Å; A317-I321 PolarHBondContact O-N 3.47Å; Q318-I321 PolarHBondContact O-N 2.86Å; L319-I321 VanDerWaalsContact C-N 3.33Å; L319-I321 PolarHBondContact O-N 2.96Å; I321-S325 PolarHBondContact O-N 2.85Å |
| 322 | Q | 83.6 | Confident | 84.8 | Confident | 115 Ų | 115 | 96.7 Ų | 96.7 | 54% | 0.537 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.5 | -44 | 177.1 | -173 | 177.8 | 5.5 | 0 | 0 | 111.8 | Q318 L319 S325 L326 | Q318-Q322 PolarHBondContact O-N 3.18Å; L319-Q322 PolarHBondContact O-N 2.97Å; Q322-S325 WeakPolarHBondContact O-CB 3.35Å; Q322-S325 PolarHBondContact O-N 2.84Å; Q322-L326 HydrophobicContact CG-CD1 4.29Å; Q322-L326 WeakPolarHBondContact O-CG 3.44Å; Q322-L326 PolarHBondContact O-N 3.26Å |
| 323 | Q | 79.3 | Confident | 85.4 | Confident | 102 Ų | 102 | 96.4 Ų | 96.4 | 48% | 0.477 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -56.5 | -52.2 | 174.3 | 177.2 | -179.5 | -16.6 | 0 | 0 | 110.6 | L319 S325 L326 E327 | L319-Q323 WeakPolarHBondContact O-CB 3.49Å; L319-Q323 PolarHBondContact O-N 2.95Å; Q323-S325 VanDerWaalsContact C-N 3.26Å; Q323-S325 PolarHBondContact O-N 2.87Å; Q323-L326 PolarHBondContact O-N 3.27Å; Q323-L326 VanDerWaalsContact O-N 3.1Å; Q323-E327 HydrophobicContact CG-CG 4.36Å; Q323-E327 WeakPolarHBondContact CG-OE1 3.33Å; Q323-E327 PolarHBondContact NE2-OE1 3.37Å; Q323-E327 WeakPolarHBondContact O-CG 3.26Å; Q323-E327 PolarHBondContact O-N 2.84Å |
| 324 | S | 86.3 | Confident | 85.5 | Confident | 55 Ų | 55 | 93 Ų | 93 | 39% | 0.385 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.2 | -36.5 | 178.6 | -173.9 | 0 | 0 | 0 | 0 | 112.2 | L320 E327 N328 | L320-S324 WeakPolarHBondContact O-CB 3.36Å; L320-S324 PolarHBondContact O-N 3.36Å; S324-E327 PolarHBondContact O-N 3.04Å; S324-N328 PolarHBondContact O-N 3.15Å; S324-N328 PolarHBondContact O-ND2 3.35Å |
| 325 | S | 87.1 | Confident | 86.1 | Confident | 74 Ų | 74 | 95.1 Ų | 95.1 | 52% | 0.517 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.1 | -44.2 | 174.6 | -162.6 | 0 | 0 | 0 | 0 | 112.4 | I321 Q322 Q323 N328 E329 | I321-S325 PolarHBondContact O-N 2.85Å; Q322-S325 WeakPolarHBondContact O-CB 3.35Å; Q322-S325 PolarHBondContact O-N 2.84Å; Q323-S325 VanDerWaalsContact C-N 3.26Å; Q323-S325 PolarHBondContact O-N 2.87Å; S325-N328 PolarHBondContact O-N 2.78Å; S325-E329 PolarHBondContact O-N 2.97Å |
| 326 | L | 80.3 | Confident | 86.6 | Confident | 94 Ų | 94 | 96.6 Ų | 96.6 | 49% | 0.492 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -70.1 | -33.5 | 178.6 | -68.5 | 168.1 | 0 | 0 | 0 | 112.3 | Q322 Q323 E329 N330 | Q322-L326 HydrophobicContact CG-CD1 4.29Å; Q322-L326 WeakPolarHBondContact O-CG 3.44Å; Q322-L326 PolarHBondContact O-N 3.26Å; Q323-L326 PolarHBondContact O-N 3.27Å; Q323-L326 VanDerWaalsContact O-N 3.1Å; L326-E329 PolarHBondContact O-N 3.04Å; L326-N330 VanDerWaalsContact O-CB 3.25Å; L326-N330 WeakPolarHBondContact O-CB 3.35Å; L326-N330 PolarHBondContact O-N 2.92Å |
| 327 | E | 86.5 | Confident | 87.6 | Confident | 103 Ų | 103 | 97.9 Ų | 97.9 | 48% | 0.481 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.7 | -45.5 | 173.5 | -72.9 | 167.2 | 168.3 | 0 | 0 | 111.2 | Q323 S324 N330 E331 | Q323-E327 HydrophobicContact CG-CG 4.36Å; Q323-E327 WeakPolarHBondContact CG-OE1 3.33Å; Q323-E327 PolarHBondContact NE2-OE1 3.37Å; Q323-E327 WeakPolarHBondContact O-CG 3.26Å; Q323-E327 PolarHBondContact O-N 2.84Å; S324-E327 PolarHBondContact O-N 3.04Å; E327-N330 PolarHBondContact O-N 3.48Å; E327-E331 PolarHBondContact O-N 2.96Å |
| 328 | N | 87.6 | Confident | 88.1 | Confident | 98 Ų | 98 | 100.3 Ų | 100.3 | 52% | 0.524 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.6 | -40.8 | 174.8 | -76 | -77.8 | 0 | 0 | 0 | 112.5 | S324 S325 E331 S332 | S324-N328 PolarHBondContact O-N 3.15Å; S324-N328 PolarHBondContact O-ND2 3.35Å; S325-N328 PolarHBondContact O-N 2.78Å; N328-E331 PolarHBondContact O-N 3.17Å; N328-S332 PolarHBondContact O-N 2.99Å |
| 329 | E | 89.5 | Confident | 88.7 | Confident | 110 Ų | 110 | 100.1 Ų | 100.1 | 51% | 0.514 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.1 | -45.1 | 176.4 | -175.5 | 177.4 | -179 | 0 | 0 | 111.1 | S325 L326 E331 S332 I333 | S325-E329 PolarHBondContact O-N 2.97Å; L326-E329 PolarHBondContact O-N 3.04Å; E329-E331 PolarHBondContact O-N 2.92Å; E329-S332 WeakPolarHBondContact O-CB 3.35Å; E329-S332 PolarHBondContact O-N 3.33Å; E329-I333 HydrophobicContact CG-CD1 4.02Å; E329-I333 WeakPolarHBondContact O-CG1 3.28Å; E329-I333 PolarHBondContact O-N 3.18Å |
| 330 | N | 83.3 | Confident | 89.3 | Confident | 98 Ų | 98 | 101.1 Ų | 101.1 | 52% | 0.524 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.5 | -38.2 | 175.7 | -178.2 | 60.3 | 0 | 0 | 0 | 112.4 | L326 E327 I333 M334 | L326-N330 VanDerWaalsContact O-CB 3.25Å; L326-N330 WeakPolarHBondContact O-CB 3.35Å; L326-N330 PolarHBondContact O-N 2.92Å; E327-N330 PolarHBondContact O-N 3.48Å; N330-I333 PolarHBondContact O-N 3.12Å; N330-M334 VanDerWaalsContact O-CB 3.32Å; N330-M334 WeakPolarHBondContact O-CB 3.46Å; N330-M334 WeakPolarHBondContact O-CG 3.34Å; N330-M334 PolarHBondContact O-N 3.41Å |
| 331 | E | 91.7 | Very high | 89.9 | Confident | 138 Ų | 138 | 101.8 Ų | 101.8 | 65% | 0.645 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.5 | -40.3 | 172.8 | -171.2 | 175.5 | -173.2 | 0 | 0 | 111.9 | E327 N328 E329 M334 K335 | E327-E331 PolarHBondContact O-N 2.96Å; N328-E331 PolarHBondContact O-N 3.17Å; E329-E331 PolarHBondContact O-N 2.92Å; E331-M334 PolarHBondContact O-N 2.89Å; E331-K335 WeakPolarHBondContact O-CB 3.43Å; E331-K335 PolarHBondContact O-N 3.42Å |
| 332 | S | 92.2 | Very high | 90.3 | Very high | 61 Ų | 61 | 100.2 Ų | 100.2 | 43% | 0.427 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.5 | -46.8 | 174.4 | -161 | 0 | 0 | 0 | 0 | 111.9 | N328 E329 K335 E336 | N328-S332 PolarHBondContact O-N 2.99Å; E329-S332 WeakPolarHBondContact O-CB 3.35Å; E329-S332 PolarHBondContact O-N 3.33Å; S332-K335 PolarHBondContact O-N 2.97Å; S332-E336 WeakPolarHBondContact O-CG 3.45Å; S332-E336 PolarHBondContact O-N 2.9Å |
| 333 | I | 91.7 | Very high | 90.9 | Very high | 93 Ų | 93 | 100.5 Ų | 100.5 | 48% | 0.477 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.2 | -39.8 | 178.7 | -67.3 | 166.6 | 0 | 0 | 0 | 111.5 | E329 N330 K335 E336 R337 | E329-I333 HydrophobicContact CG-CD1 4.02Å; E329-I333 WeakPolarHBondContact O-CG1 3.28Å; E329-I333 PolarHBondContact O-N 3.18Å; N330-I333 PolarHBondContact O-N 3.12Å; I333-K335 VanDerWaalsContact C-N 3.31Å; I333-K335 PolarHBondContact O-N 3.37Å; I333-E336 PolarHBondContact O-N 3.36Å; I333-R337 WeakPolarHBondContact O-CB 3.4Å; I333-R337 PolarHBondContact O-N 2.99Å |
| 334 | M | 90 | Very high | 91.8 | Very high | 75 Ų | 75 | 102.6 Ų | 102.6 | 37% | 0.369 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -57.1 | -45.5 | 173.3 | -77.9 | -81.9 | -63.6 | 0 | 0 | 111.2 | N330 E331 R337 E338 | N330-M334 VanDerWaalsContact O-CB 3.32Å; N330-M334 WeakPolarHBondContact O-CB 3.46Å; N330-M334 WeakPolarHBondContact O-CG 3.34Å; N330-M334 PolarHBondContact O-N 3.41Å; E331-M334 PolarHBondContact O-N 2.89Å; M334-R337 VanDerWaalsContact CE-NH2 3.33Å; M334-R337 PolarHBondContact O-N 3.25Å; M334-R337 VanDerWaalsContact SD-CZ 3.59Å; M334-R337 PolarHBondContact SD-NH1 2.97Å; M334-R337 PolarHBondContact SD-NH2 3.49Å; M334-E338 PolarHBondContact O-N 3.28Å; M334-E338 VanDerWaalsContact O-N 3.17Å |
| 335 | K | 95.9 | Very high | 92.3 | Very high | 133 Ų | 133 | 102.8 Ų | 102.8 | 58% | 0.578 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.9 | -47 | 178.8 | -175.3 | 176.1 | 179 | 178.1 | 0 | 112.8 | E331 S332 I333 R337 E338 D339 | E331-K335 WeakPolarHBondContact O-CB 3.43Å; E331-K335 PolarHBondContact O-N 3.42Å; S332-K335 PolarHBondContact O-N 2.97Å; I333-K335 VanDerWaalsContact C-N 3.31Å; I333-K335 PolarHBondContact O-N 3.37Å; K335-R337 PolarHBondContact O-N 2.82Å; K335-E338 WeakPolarHBondContact O-CA 3.28Å; K335-E338 PolarHBondContact O-N 2.89Å; K335-D339 PolarHBondContact O-N 2.84Å |
| 336 | E | 92.9 | Very high | 92.8 | Very high | 124 Ų | 124 | 101.4 Ų | 101.4 | 58% | 0.579 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -57.9 | -37.1 | 176.7 | -75.4 | 177.6 | -160.6 | 0 | 0 | 111.9 | S332 I333 L340 | S332-E336 WeakPolarHBondContact O-CG 3.45Å; S332-E336 PolarHBondContact O-N 2.9Å; I333-E336 PolarHBondContact O-N 3.36Å; E336-L340 WeakPolarHBondContact O-CB 3.42Å; E336-L340 PolarHBondContact O-N 2.87Å |
| 337 | R | 93.8 | Very high | 93.7 | Very high | 126 Ų | 126 | 102.6 Ų | 102.6 | 48% | 0.475 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.8 | -34.8 | 173.6 | -174.3 | -158.3 | 64.1 | -141.6 | -10.6 | 112.6 | I333 M334 K335 K341 | I333-R337 WeakPolarHBondContact O-CB 3.4Å; I333-R337 PolarHBondContact O-N 2.99Å; M334-R337 VanDerWaalsContact CE-NH2 3.33Å; M334-R337 PolarHBondContact O-N 3.25Å; M334-R337 VanDerWaalsContact SD-CZ 3.59Å; M334-R337 PolarHBondContact SD-NH1 2.97Å; M334-R337 PolarHBondContact SD-NH2 3.49Å; K335-R337 PolarHBondContact O-N 2.82Å; R337-K341 WeakPolarHBondContact O-CB 3.37Å; R337-K341 PolarHBondContact O-N 3.08Å |
| 338 | E | 96.4 | Very high | 94.2 | Very high | 99 Ų | 99 | 100.7 Ų | 100.7 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -76 | -37.6 | 178.1 | -77.7 | 164.5 | -151.8 | 0 | 0 | 112.5 | M334 K335 K341 S342 | M334-E338 PolarHBondContact O-N 3.28Å; M334-E338 VanDerWaalsContact O-N 3.17Å; K335-E338 WeakPolarHBondContact O-CA 3.28Å; K335-E338 PolarHBondContact O-N 2.89Å; E338-K341 PolarHBondContact O-N 3.45Å; E338-S342 WeakPolarHBondContact O-CB 3.4Å; E338-S342 PolarHBondContact O-N 3.08Å; E338-S342 PolarHBondContact O-OG 3.42Å |
| 339 | D | 96.4 | Very high | 94.8 | Very high | 86 Ų | 86 | 101.3 Ų | 101.3 | 46% | 0.46 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.1 | -45.6 | 169.2 | -71.8 | -30.3 | 0 | 0 | 0 | 110.7 | K335 K341 S342 L343 | K335-D339 PolarHBondContact O-N 2.84Å; D339-K341 PolarHBondContact O-N 3.42Å; D339-S342 WeakPolarHBondContact O-CB 3.46Å; D339-S342 PolarHBondContact O-N 2.92Å; D339-L343 WeakPolarHBondContact O-CG 3.42Å; D339-L343 PolarHBondContact O-N 3.24Å |
| 340 | L | 95.9 | Very high | 95.2 | Very high | 120 Ų | 120 | 100.3 Ų | 100.3 | 63% | 0.628 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.2 | -39.4 | 176.8 | -176.2 | 63.9 | 0 | 0 | 0 | 112.6 | E336 L343 Y344 | E336-L340 WeakPolarHBondContact O-CB 3.42Å; E336-L340 PolarHBondContact O-N 2.87Å; L340-L343 PolarHBondContact O-N 3.13Å; L340-Y344 PolarHBondContact O-N 3.34Å |
| 341 | K | 97.8 | Very high | 95.9 | Very high | 127 Ų | 127 | 101.5 Ų | 101.5 | 55% | 0.552 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.2 | -43.4 | 172.5 | -176.7 | -177.8 | 174.3 | -173.3 | 0 | 111.1 | R337 E338 D339 L343 Y344 D345 | R337-K341 WeakPolarHBondContact O-CB 3.37Å; R337-K341 PolarHBondContact O-N 3.08Å; E338-K341 PolarHBondContact O-N 3.45Å; D339-K341 PolarHBondContact O-N 3.42Å; K341-L343 VanDerWaalsContact C-N 3.29Å; K341-L343 PolarHBondContact O-N 3.36Å; K341-Y344 WeakPolarHBondContact O-CB 3.42Å; K341-Y344 PolarHBondContact O-N 3.5Å; K341-Y344 VanDerWaalsContact O-N 3.12Å; K341-D345 WeakPolarHBondContact CE-OD2 3.28Å; K341-D345 WeakPolarHBondContact O-CB 3.32Å; K341-D345 PolarHBondContact O-N 3.43Å |
| 342 | S | 97.4 | Very high | 96.2 | Very high | 74 Ų | 74 | 99.8 Ų | 99.8 | 52% | 0.517 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.8 | -36.5 | 179 | -58.4 | 0 | 0 | 0 | 0 | 112.1 | E338 D339 A346 | E338-S342 WeakPolarHBondContact O-CB 3.4Å; E338-S342 PolarHBondContact O-N 3.08Å; E338-S342 PolarHBondContact O-OG 3.42Å; D339-S342 WeakPolarHBondContact O-CB 3.46Å; D339-S342 PolarHBondContact O-N 2.92Å; S342-A346 WeakPolarHBondContact O-CB 3.14Å; S342-A346 PolarHBondContact O-N 3.16Å; S342-A346 VanDerWaalsContact O-N 3.12Å |
| 343 | L | 98 | Very high | 96.5 | Very high | 120 Ų | 120 | 102.8 Ų | 102.8 | 63% | 0.628 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.4 | -41.6 | 171.4 | -75.5 | 163.9 | 0 | 0 | 0 | 112.4 | D339 L340 K341 A346 L347 | D339-L343 WeakPolarHBondContact O-CG 3.42Å; D339-L343 PolarHBondContact O-N 3.24Å; L340-L343 PolarHBondContact O-N 3.13Å; K341-L343 VanDerWaalsContact C-N 3.29Å; K341-L343 PolarHBondContact O-N 3.36Å; L343-A346 PolarHBondContact O-N 3.27Å; L343-L347 WeakPolarHBondContact O-CB 3.36Å; L343-L347 PolarHBondContact O-N 2.93Å |
| 344 | Y | 96.4 | Very high | 96.8 | Very high | 147 Ų | 147 | 102.4 Ų | 102.4 | 58% | 0.576 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.2 | -45.4 | 176.6 | -178.3 | -106.5 | 0 | 0 | 0 | 112.2 | L340 K341 A346 L347 I348 | L340-Y344 PolarHBondContact O-N 3.34Å; K341-Y344 WeakPolarHBondContact O-CB 3.42Å; K341-Y344 PolarHBondContact O-N 3.5Å; K341-Y344 VanDerWaalsContact O-N 3.12Å; Y344-A346 PolarHBondContact O-N 3.33Å; Y344-L347 PolarHBondContact O-N 3.49Å; Y344-L347 VanDerWaalsContact O-N 3.16Å; Y344-I348 HydrophobicContact CD1-CD1 3.88Å; Y344-I348 HydrophobicContact CE1-CD1 3.46Å; Y344-I348 VanDerWaalsContact CE1-CD1 3.46Å; Y344-I348 HydrophobicContact CE1-CG1 4.39Å; Y344-I348 PolarHBondContact O-N 2.9Å |
| 345 | D | 97.6 | Very high | 97.2 | Very high | 59 Ų | 59 | 104.9 Ų | 104.9 | 32% | 0.316 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.1 | -16.9 | 175.7 | -68.7 | -8.7 | 0 | 0 | 0 | 112.7 | K341 K349 | K341-D345 WeakPolarHBondContact CE-OD2 3.28Å; K341-D345 WeakPolarHBondContact O-CB 3.32Å; K341-D345 PolarHBondContact O-N 3.43Å; D345-K349 VanDerWaalsContact O-CD 3.29Å; D345-K349 WeakPolarHBondContact O-CD 3.37Å; D345-K349 VanDerWaalsContact O-CE 3.27Å; D345-K349 WeakPolarHBondContact O-CE 3.34Å; D345-K349 WeakPolarHBondContact O-CG 3.4Å; D345-K349 PolarHBondContact O-NZ 3.31Å |
| 346 | A | 97.9 | Very high | 97.3 | Very high | 44 Ų | 44 | 103.8 Ų | 103.8 | 36% | 0.364 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -85.8 | -44.4 | 170 | 0 | 0 | 0 | 0 | 0 | 111.7 | S342 L343 Y344 I348 K349 D350 | S342-A346 WeakPolarHBondContact O-CB 3.14Å; S342-A346 PolarHBondContact O-N 3.16Å; S342-A346 VanDerWaalsContact O-N 3.12Å; L343-A346 PolarHBondContact O-N 3.27Å; Y344-A346 PolarHBondContact O-N 3.33Å; A346-I348 VanDerWaalsContact C-N 3.3Å; A346-I348 PolarHBondContact O-N 3.37Å; A346-K349 PolarHBondContact O-N 2.89Å; A346-D350 PolarHBondContact O-N 2.87Å; A346-D350 VanDerWaalsContact O-N 3.08Å |
| 347 | L | 98.4 | Very high | 97.5 | Very high | 120 Ų | 120 | 102.1 Ų | 102.1 | 63% | 0.628 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.1 | -37.8 | 177.4 | -178.1 | 62.1 | 0 | 0 | 0 | 112.4 | L343 Y344 D350 H351 | L343-L347 WeakPolarHBondContact O-CB 3.36Å; L343-L347 PolarHBondContact O-N 2.93Å; Y344-L347 PolarHBondContact O-N 3.49Å; Y344-L347 VanDerWaalsContact O-N 3.16Å; L347-D350 PolarHBondContact O-N 3.19Å; L347-H351 PolarHBondContact O-N 3.45Å |
| 348 | I | 98.4 | Very high | 97.7 | Very high | 63 Ų | 63 | 100.8 Ų | 100.8 | 32% | 0.323 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -57.8 | -48.9 | 171.8 | -72 | 169.7 | 0 | 0 | 0 | 110.6 | Y344 A346 D350 H351 E352 | Y344-I348 HydrophobicContact CD1-CD1 3.88Å; Y344-I348 HydrophobicContact CE1-CD1 3.46Å; Y344-I348 VanDerWaalsContact CE1-CD1 3.46Å; Y344-I348 HydrophobicContact CE1-CG1 4.39Å; Y344-I348 PolarHBondContact O-N 2.9Å; A346-I348 VanDerWaalsContact C-N 3.3Å; A346-I348 PolarHBondContact O-N 3.37Å; I348-D350 VanDerWaalsContact C-N 3.26Å; I348-D350 PolarHBondContact O-N 2.77Å; I348-H351 WeakPolarHBondContact O-CA 3.46Å; I348-H351 WeakPolarHBondContact O-CB 3.44Å; I348-H351 PolarHBondContact O-N 2.99Å; I348-E352 HydrophobicContact CG2-CG 4.29Å; I348-E352 WeakPolarHBondContact O-CG 3.49Å; I348-E352 PolarHBondContact O-N 2.96Å |
| 349 | K | 98.3 | Very high | 97.8 | Very high | 111 Ų | 111 | 102.2 Ų | 102.2 | 48% | 0.483 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.2 | -28.9 | -178.7 | -67 | 167.1 | -170.6 | 129.6 | 0 | 113.1 | D345 A346 E352 K353 | D345-K349 VanDerWaalsContact O-CD 3.29Å; D345-K349 WeakPolarHBondContact O-CD 3.37Å; D345-K349 VanDerWaalsContact O-CE 3.27Å; D345-K349 WeakPolarHBondContact O-CE 3.34Å; D345-K349 WeakPolarHBondContact O-CG 3.4Å; D345-K349 PolarHBondContact O-NZ 3.31Å; A346-K349 PolarHBondContact O-N 2.89Å; K349-E352 WeakPolarHBondContact CA-OE2 3.47Å; K349-K353 WeakPolarHBondContact O-CD 3.49Å; K349-K353 VanDerWaalsContact O-CE 3.22Å; K349-K353 WeakPolarHBondContact O-CE 3.35Å; K349-K353 WeakPolarHBondContact O-CG 3.43Å; K349-K353 PolarHBondContact O-N 2.97Å |
| 350 | D | 97.9 | Very high | 97.9 | Very high | 88 Ų | 88 | 106 Ų | 106 | 47% | 0.471 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -78.5 | -29.7 | 173.7 | -71.6 | -20.9 | 0 | 0 | 0 | 112.1 | A346 L347 I348 K353 L354 | A346-D350 PolarHBondContact O-N 2.87Å; A346-D350 VanDerWaalsContact O-N 3.08Å; L347-D350 PolarHBondContact O-N 3.19Å; I348-D350 VanDerWaalsContact C-N 3.26Å; I348-D350 PolarHBondContact O-N 2.77Å; D350-K353 IonicContact OD1-NZ 2.61Å; D350-K353 PolarHBondContact OD1-NZ 2.75Å; D350-L354 WeakPolarHBondContact O-CB 3.39Å; D350-L354 PolarHBondContact O-N 2.89Å; D350-L354 VanDerWaalsContact O-N 3.13Å |
| 351 | H | 97.9 | Very high | 98 | Very high | 124 Ų | 124 | 104 Ų | 104 | 57% | 0.574 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67.4 | -46.3 | 169.3 | -170.1 | 57.5 | 0 | 0 | 0 | 112 | L347 I348 K353 L354 E355 | L347-H351 PolarHBondContact O-N 3.45Å; I348-H351 WeakPolarHBondContact O-CA 3.46Å; I348-H351 WeakPolarHBondContact O-CB 3.44Å; I348-H351 PolarHBondContact O-N 2.99Å; H351-K353 VanDerWaalsContact C-N 3.32Å; H351-K353 PolarHBondContact O-N 3.4Å; H351-L354 WeakPolarHBondContact O-CB 3.44Å; H351-L354 PolarHBondContact O-N 2.95Å; H351-E355 PolarHBondContact O-N 3.15Å |
| 352 | E | 98.2 | Very high | 98 | Very high | 102 Ų | 102 | 100.3 Ų | 100.3 | 48% | 0.477 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -55.4 | -44 | 174.4 | -70 | 168.6 | 168.3 | 0 | 0 | 111.8 | I348 K349 L354 E355 L356 | I348-E352 HydrophobicContact CG2-CG 4.29Å; I348-E352 WeakPolarHBondContact O-CG 3.49Å; I348-E352 PolarHBondContact O-N 2.96Å; K349-E352 WeakPolarHBondContact CA-OE2 3.47Å; E352-L354 VanDerWaalsContact C-N 3.34Å; E352-L354 PolarHBondContact O-N 3.35Å; E352-E355 PolarHBondContact O-N 2.88Å; E352-L356 WeakPolarHBondContact O-CG 3.39Å; E352-L356 PolarHBondContact O-N 3.32Å; E352-L356 VanDerWaalsContact O-N 3.1Å |
| 353 | K | 98.4 | Very high | 98 | Very high | 124 Ų | 124 | 100 Ų | 100 | 54% | 0.539 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.4 | -38.5 | 174.9 | -70.3 | 163.9 | -153.3 | 162.8 | 0 | 112.6 | K349 D350 H351 L357 | K349-K353 WeakPolarHBondContact O-CD 3.49Å; K349-K353 VanDerWaalsContact O-CE 3.22Å; K349-K353 WeakPolarHBondContact O-CE 3.35Å; K349-K353 WeakPolarHBondContact O-CG 3.43Å; K349-K353 PolarHBondContact O-N 2.97Å; D350-K353 IonicContact OD1-NZ 2.61Å; D350-K353 PolarHBondContact OD1-NZ 2.75Å; H351-K353 VanDerWaalsContact C-N 3.32Å; H351-K353 PolarHBondContact O-N 3.4Å; K353-L357 WeakPolarHBondContact O-CB 3.38Å; K353-L357 PolarHBondContact O-N 2.94Å |
| 354 | L | 98.5 | Very high | 98 | Very high | 84 Ų | 84 | 99.1 Ų | 99.1 | 44% | 0.44 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -70.6 | -38.7 | 179.8 | -177.7 | 61.7 | 0 | 0 | 0 | 111.4 | D350 H351 E352 L357 H358 | D350-L354 WeakPolarHBondContact O-CB 3.39Å; D350-L354 PolarHBondContact O-N 2.89Å; D350-L354 VanDerWaalsContact O-N 3.13Å; H351-L354 WeakPolarHBondContact O-CB 3.44Å; H351-L354 PolarHBondContact O-N 2.95Å; E352-L354 VanDerWaalsContact C-N 3.34Å; E352-L354 PolarHBondContact O-N 3.35Å; L354-L357 PolarHBondContact O-N 3.17Å; L354-H358 PolarHBondContact O-CD2 3.15Å; L354-H358 VanDerWaalsContact O-CD2 3.3Å; L354-H358 PolarHBondContact O-N 3.27Å |
| 355 | E | 98.3 | Very high | 98.1 | Very high | 128 Ų | 128 | 99.3 Ų | 99.3 | 60% | 0.598 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.3 | -49.3 | 174 | -172.9 | 169 | -150.3 | 0 | 0 | 111.3 | H351 E352 L357 H358 E359 | H351-E355 PolarHBondContact O-N 3.15Å; E352-E355 PolarHBondContact O-N 2.88Å; E355-L357 VanDerWaalsContact C-N 3.26Å; E355-L357 PolarHBondContact O-N 3.31Å; E355-H358 PolarHBondContact O-N 3.46Å; E355-H358 VanDerWaalsContact O-N 3.1Å; E355-E359 PolarHBondContact O-N 3.39Å |
| 356 | L | 98.3 | Very high | 98.2 | Very high | 109 Ų | 109 | 103.1 Ų | 103.1 | 57% | 0.571 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -59.1 | -34.4 | 173.8 | -70.7 | 169.2 | 0 | 0 | 0 | 113 | E352 R360 | E352-L356 WeakPolarHBondContact O-CG 3.39Å; E352-L356 PolarHBondContact O-N 3.32Å; E352-L356 VanDerWaalsContact O-N 3.1Å; L356-R360 WeakPolarHBondContact O-CB 3.2Å; L356-R360 PolarHBondContact O-N 2.88Å; L356-R360 VanDerWaalsContact O-N 3.08Å |
| 357 | L | 98.3 | Very high | 98.2 | Very high | 89 Ų | 89 | 103.4 Ų | 103.4 | 47% | 0.466 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -70.7 | -38.4 | 176.4 | -167.5 | 152.4 | 0 | 0 | 0 | 111.2 | K353 L354 E355 Q361 | K353-L357 WeakPolarHBondContact O-CB 3.38Å; K353-L357 PolarHBondContact O-N 2.94Å; L354-L357 PolarHBondContact O-N 3.17Å; E355-L357 VanDerWaalsContact C-N 3.26Å; E355-L357 PolarHBondContact O-N 3.31Å; L357-Q361 HydrophobicContact CD2-CG 4.2Å; L357-Q361 WeakPolarHBondContact O-CG 3.45Å; L357-Q361 PolarHBondContact O-N 3.32Å |
| 358 | H | 97.9 | Very high | 98.2 | Very high | 99 Ų | 99 | 102.8 Ų | 102.8 | 46% | 0.458 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -70.1 | -40.3 | 174 | -73 | -43.4 | 0 | 0 | 0 | 113.1 | L354 E355 R360 Q361 A362 | L354-H358 PolarHBondContact O-CD2 3.15Å; L354-H358 VanDerWaalsContact O-CD2 3.3Å; L354-H358 PolarHBondContact O-N 3.27Å; E355-H358 PolarHBondContact O-N 3.46Å; E355-H358 VanDerWaalsContact O-N 3.1Å; H358-R360 VanDerWaalsContact C-N 3.31Å; H358-R360 PolarHBondContact O-N 2.86Å; H358-Q361 PolarHBondContact ND1-OE1 2.89Å; H358-Q361 VanDerWaalsContact ND1-OE1 3.14Å; H358-Q361 PolarHBondContact O-N 3.23Å; H358-A362 WeakPolarHBondContact O-CB 3.49Å; H358-A362 PolarHBondContact O-N 3.1Å |
| 359 | E | 97.9 | Very high | 98.1 | Very high | 129 Ų | 129 | 105.6 Ų | 105.6 | 60% | 0.603 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.2 | -43.4 | 173.1 | -176.1 | -177.3 | -153.3 | 0 | 0 | 111.1 | E355 A362 S363 | E355-E359 PolarHBondContact O-N 3.39Å; E359-A362 PolarHBondContact O-N 2.7Å; E359-S363 PolarHBondContact O-N 2.86Å; E359-S363 PolarHBondContact O-OG 2.85Å |
| 360 | R | 98.4 | Very high | 98.1 | Very high | 164 Ų | 164 | 104 Ų | 104 | 62% | 0.619 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.1 | -45.6 | 172.7 | 178.9 | 178.9 | 168.8 | 162.9 | 1.3 | 112.2 | L356 H358 A362 S363 E364 | L356-R360 WeakPolarHBondContact O-CB 3.2Å; L356-R360 PolarHBondContact O-N 2.88Å; L356-R360 VanDerWaalsContact O-N 3.08Å; H358-R360 VanDerWaalsContact C-N 3.31Å; H358-R360 PolarHBondContact O-N 2.86Å; R360-A362 VanDerWaalsContact C-N 3.35Å; R360-A362 PolarHBondContact O-N 3Å; R360-S363 WeakPolarHBondContact O-CB 3.4Å; R360-S363 PolarHBondContact O-N 3.31Å; R360-E364 IonicContact CZ-OE1 2.64Å; R360-E364 IonicContact NE-OE1 3.08Å; R360-E364 PolarHBondContact NE-OE1 3.26Å; R360-E364 IonicContact NH2-OE1 3.84Å; R360-E364 PolarHBondContact NH2-OE1 2.79Å; R360-E364 WeakPolarHBondContact O-CG 3.26Å; R360-E364 PolarHBondContact O-N 3.44Å |
| 361 | Q | 97.8 | Very high | 98.1 | Very high | 79 Ų | 79 | 105.8 Ų | 105.8 | 37% | 0.369 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.9 | -43.3 | 177.4 | -78.9 | 175.7 | -20.7 | 0 | 0 | 111.7 | L357 H358 S363 E364 Y365 | L357-Q361 HydrophobicContact CD2-CG 4.2Å; L357-Q361 WeakPolarHBondContact O-CG 3.45Å; L357-Q361 PolarHBondContact O-N 3.32Å; H358-Q361 PolarHBondContact ND1-OE1 2.89Å; H358-Q361 VanDerWaalsContact ND1-OE1 3.14Å; H358-Q361 PolarHBondContact O-N 3.23Å; Q361-S363 VanDerWaalsContact C-N 3.34Å; Q361-S363 PolarHBondContact O-N 3.48Å; Q361-E364 PolarHBondContact O-N 2.98Å; Q361-Y365 HydrophobicContact CB-CE2 4.38Å; Q361-Y365 WeakPolarHBondContact O-CD2 3.5Å; Q361-Y365 PolarHBondContact O-N 2.92Å |
| 362 | A | 98.1 | Very high | 98.1 | Very high | 49 Ų | 49 | 105.5 Ų | 105.5 | 41% | 0.405 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58 | -47 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | H358 E359 R360 E364 Y365 E366 | H358-A362 WeakPolarHBondContact O-CB 3.49Å; H358-A362 PolarHBondContact O-N 3.1Å; E359-A362 PolarHBondContact O-N 2.7Å; R360-A362 VanDerWaalsContact C-N 3.35Å; R360-A362 PolarHBondContact O-N 3Å; A362-E364 VanDerWaalsContact C-N 3.34Å; A362-E364 PolarHBondContact O-N 2.83Å; A362-Y365 PolarHBondContact O-N 3.27Å; A362-E366 WeakPolarHBondContact O-CG 3.23Å; A362-E366 PolarHBondContact O-N 3.31Å |
| 363 | S | 97.9 | Very high | 98.1 | Very high | 68 Ų | 68 | 102.2 Ų | 102.2 | 48% | 0.476 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.9 | -39.9 | 176 | -57.3 | 0 | 0 | 0 | 0 | 113 | E359 R360 Q361 S367 | E359-S363 PolarHBondContact O-N 2.86Å; E359-S363 PolarHBondContact O-OG 2.85Å; R360-S363 WeakPolarHBondContact O-CB 3.4Å; R360-S363 PolarHBondContact O-N 3.31Å; Q361-S363 VanDerWaalsContact C-N 3.34Å; Q361-S363 PolarHBondContact O-N 3.48Å; S363-S367 WeakPolarHBondContact O-CB 3.49Å; S363-S367 PolarHBondContact O-N 3.39Å |
| 364 | E | 98 | Very high | 98.1 | Very high | 101 Ų | 101 | 100.6 Ų | 100.6 | 47% | 0.472 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.9 | -37.7 | 175.8 | -73.1 | -179.2 | -172.5 | 0 | 0 | 111.9 | R360 Q361 A362 S367 L368 | R360-E364 IonicContact CZ-OE1 2.64Å; R360-E364 IonicContact NE-OE1 3.08Å; R360-E364 PolarHBondContact NE-OE1 3.26Å; R360-E364 IonicContact NH2-OE1 3.84Å; R360-E364 PolarHBondContact NH2-OE1 2.79Å; R360-E364 WeakPolarHBondContact O-CG 3.26Å; R360-E364 PolarHBondContact O-N 3.44Å; Q361-E364 PolarHBondContact O-N 2.98Å; A362-E364 VanDerWaalsContact C-N 3.34Å; A362-E364 PolarHBondContact O-N 2.83Å; E364-S367 PolarHBondContact O-N 3.1Å; E364-L368 WeakPolarHBondContact O-CB 3.21Å; E364-L368 PolarHBondContact O-N 3.42Å |
| 365 | Y | 98.1 | Very high | 98 | Very high | 151 Ų | 151 | 102.2 Ų | 102.2 | 59% | 0.592 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.3 | -44.3 | 172.6 | -75.1 | -57.6 | 0 | 0 | 0 | 112.7 | Q361 A362 S367 L368 I369 | Q361-Y365 HydrophobicContact CB-CE2 4.38Å; Q361-Y365 WeakPolarHBondContact O-CD2 3.5Å; Q361-Y365 PolarHBondContact O-N 2.92Å; A362-Y365 PolarHBondContact O-N 3.27Å; Y365-S367 VanDerWaalsContact C-N 3.32Å; Y365-S367 PolarHBondContact O-N 2.93Å; Y365-L368 WeakPolarHBondContact O-CB 3.46Å; Y365-L368 PolarHBondContact O-N 3.1Å; Y365-L368 VanDerWaalsContact O-N 3.12Å; Y365-I369 VanDerWaalsContact O-CG1 3.3Å; Y365-I369 WeakPolarHBondContact O-CG1 3.42Å; Y365-I369 PolarHBondContact O-N 3.16Å |
| 366 | E | 98.3 | Very high | 98 | Very high | 139 Ų | 139 | 102.9 Ų | 102.9 | 65% | 0.65 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.8 | -42 | 174.9 | -73.2 | -173.6 | 175.5 | 0 | 0 | 111.6 | A362 L368 I369 S370 | A362-E366 WeakPolarHBondContact O-CG 3.23Å; A362-E366 PolarHBondContact O-N 3.31Å; E366-L368 VanDerWaalsContact C-N 3.3Å; E366-L368 PolarHBondContact O-N 2.98Å; E366-I369 PolarHBondContact O-N 2.91Å; E366-S370 WeakPolarHBondContact O-CB 3.5Å; E366-S370 PolarHBondContact O-N 3.35Å |
| 367 | S | 98.1 | Very high | 98 | Very high | 50 Ų | 50 | 101 Ų | 101 | 35% | 0.35 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59 | -41.1 | 172.9 | -167.9 | 0 | 0 | 0 | 0 | 112 | S363 E364 Y365 K371 | S363-S367 WeakPolarHBondContact O-CB 3.49Å; S363-S367 PolarHBondContact O-N 3.39Å; E364-S367 PolarHBondContact O-N 3.1Å; Y365-S367 VanDerWaalsContact C-N 3.32Å; Y365-S367 PolarHBondContact O-N 2.93Å; S367-K371 WeakPolarHBondContact O-CB 3.28Å; S367-K371 WeakPolarHBondContact O-CD 3.49Å; S367-K371 VanDerWaalsContact O-CG 3.24Å; S367-K371 WeakPolarHBondContact O-CG 3.22Å; S367-K371 PolarHBondContact O-N 3.43Å; S367-K371 WeakPolarHBondContact OG-CE 3.3Å; S367-K371 PolarHBondContact OG-NZ 2.85Å |
| 368 | L | 98.3 | Very high | 97.9 | Very high | 107 Ų | 107 | 99 Ų | 99 | 56% | 0.56 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -69.7 | -40.8 | 177.8 | -175.3 | 62 | 0 | 0 | 0 | 112.4 | E364 Y365 E366 S370 K371 H372 | E364-L368 WeakPolarHBondContact O-CB 3.21Å; E364-L368 PolarHBondContact O-N 3.42Å; Y365-L368 WeakPolarHBondContact O-CB 3.46Å; Y365-L368 PolarHBondContact O-N 3.1Å; Y365-L368 VanDerWaalsContact O-N 3.12Å; E366-L368 VanDerWaalsContact C-N 3.3Å; E366-L368 PolarHBondContact O-N 2.98Å; L368-S370 VanDerWaalsContact C-N 3.35Å; L368-K371 PolarHBondContact O-N 3.47Å; L368-H372 WeakPolarHBondContact O-CB 3.38Å; L368-H372 PolarHBondContact O-N 3.28Å |
| 369 | I | 98 | Very high | 97.9 | Very high | 122 Ų | 122 | 99.6 Ų | 99.6 | 63% | 0.626 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.3 | -44.5 | 174.6 | -69.8 | 163.3 | 0 | 0 | 0 | 110.2 | Y365 E366 H372 G373 | Y365-I369 VanDerWaalsContact O-CG1 3.3Å; Y365-I369 WeakPolarHBondContact O-CG1 3.42Å; Y365-I369 PolarHBondContact O-N 3.16Å; E366-I369 PolarHBondContact O-N 2.91Å; I369-H372 PolarHBondContact O-N 3.33Å; I369-G373 PolarHBondContact O-N 2.8Å |
| 370 | S | 98 | Very high | 97.8 | Very high | 79 Ų | 79 | 100 Ų | 100 | 55% | 0.552 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61 | -46.9 | 175.7 | -176.3 | 0 | 0 | 0 | 0 | 112.1 | E366 L368 H372 G373 T374 | E366-S370 WeakPolarHBondContact O-CB 3.5Å; E366-S370 PolarHBondContact O-N 3.35Å; L368-S370 VanDerWaalsContact C-N 3.35Å; S370-H372 VanDerWaalsContact C-N 3.34Å; S370-H372 PolarHBondContact O-N 3.21Å; S370-G373 PolarHBondContact O-N 3.09Å; S370-G373 VanDerWaalsContact O-N 3.12Å; S370-T374 PolarHBondContact O-N 3.3Å; S370-T374 PolarHBondContact O-OG1 3.16Å |
| 371 | K | 97.7 | Very high | 97.8 | Very high | 124 Ų | 124 | 97.1 Ų | 97.1 | 54% | 0.539 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61 | -38.6 | 174.5 | -72.3 | 160.2 | -177.5 | 151.1 | 0 | 112.9 | S367 L368 T374 L375 | S367-K371 WeakPolarHBondContact O-CB 3.28Å; S367-K371 WeakPolarHBondContact O-CD 3.49Å; S367-K371 VanDerWaalsContact O-CG 3.24Å; S367-K371 WeakPolarHBondContact O-CG 3.22Å; S367-K371 PolarHBondContact O-N 3.43Å; S367-K371 WeakPolarHBondContact OG-CE 3.3Å; S367-K371 PolarHBondContact OG-NZ 2.85Å; L368-K371 PolarHBondContact O-N 3.47Å; K371-T374 PolarHBondContact O-OG1 2.98Å; K371-T374 VanDerWaalsContact O-OG1 3.05Å; K371-L375 VanDerWaalsContact O-CB 3.32Å; K371-L375 WeakPolarHBondContact O-CB 3.49Å; K371-L375 PolarHBondContact O-N 3.42Å |
| 372 | H | 97.8 | Very high | 97.7 | Very high | 118 Ų | 118 | 98.3 Ų | 98.3 | 55% | 0.546 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.6 | -39.3 | 173.8 | -179.3 | 78.1 | 0 | 0 | 0 | 111.4 | L368 I369 S370 L375 K376 | L368-H372 WeakPolarHBondContact O-CB 3.38Å; L368-H372 PolarHBondContact O-N 3.28Å; I369-H372 PolarHBondContact O-N 3.33Å; S370-H372 VanDerWaalsContact C-N 3.34Å; S370-H372 PolarHBondContact O-N 3.21Å; H372-L375 PolarHBondContact O-N 3.32Å; H372-K376 WeakPolarHBondContact O-CB 3.27Å; H372-K376 PolarHBondContact O-N 3.49Å |
| 373 | G | 97.8 | Very high | 97.6 | Very high | 33 Ų | 33 | 101.4 Ų | 101.4 | 34% | 0.34 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.1 | -42.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | I369 S370 S377 | I369-G373 PolarHBondContact O-N 2.8Å; S370-G373 PolarHBondContact O-N 3.09Å; S370-G373 VanDerWaalsContact O-N 3.12Å; G373-S377 PolarHBondContact O-N 3.3Å; G373-S377 VanDerWaalsContact O-N 3.09Å; G373-S377 PolarHBondContact O-OG 3Å |
| 374 | T | 97.7 | Very high | 97.6 | Very high | 91 Ų | 91 | 102 Ų | 102 | 56% | 0.558 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -69.3 | -43 | 175.7 | 56.7 | 0 | 0 | 0 | 0 | 111.7 | S370 K371 K376 S377 A378 | S370-T374 PolarHBondContact O-N 3.3Å; S370-T374 PolarHBondContact O-OG1 3.16Å; K371-T374 PolarHBondContact O-OG1 2.98Å; K371-T374 VanDerWaalsContact O-OG1 3.05Å; T374-K376 VanDerWaalsContact C-N 3.34Å; T374-K376 PolarHBondContact O-N 3.45Å; T374-S377 PolarHBondContact O-N 2.74Å; T374-A378 WeakPolarHBondContact O-CB 3.32Å; T374-A378 PolarHBondContact O-N 3.48Å |
| 375 | L | 97.8 | Very high | 97.5 | Very high | 118 Ų | 118 | 102.8 Ų | 102.8 | 62% | 0.618 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60.9 | -41.1 | 175 | -178.1 | 61.8 | 0 | 0 | 0 | 112.3 | K371 H372 S377 A378 H379 | K371-L375 VanDerWaalsContact O-CB 3.32Å; K371-L375 WeakPolarHBondContact O-CB 3.49Å; K371-L375 PolarHBondContact O-N 3.42Å; H372-L375 PolarHBondContact O-N 3.32Å; L375-S377 VanDerWaalsContact C-N 3.35Å; L375-S377 PolarHBondContact O-N 2.84Å; L375-A378 PolarHBondContact O-N 3.19Å; L375-H379 WeakPolarHBondContact O-CB 3.43Å; L375-H379 PolarHBondContact O-N 2.9Å |
| 376 | K | 98.2 | Very high | 97.3 | Very high | 141 Ų | 141 | 101.7 Ų | 101.7 | 61% | 0.613 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.1 | -38.4 | 176.2 | -177.4 | 171.5 | -178.2 | 174 | 0 | 112.3 | H372 T374 K380 | H372-K376 WeakPolarHBondContact O-CB 3.27Å; H372-K376 PolarHBondContact O-N 3.49Å; T374-K376 VanDerWaalsContact C-N 3.34Å; T374-K376 PolarHBondContact O-N 3.45Å; K376-K380 PolarHBondContact O-N 2.74Å; K376-K380 VanDerWaalsContact O-N 3.12Å |
| 377 | S | 97.4 | Very high | 97.2 | Very high | 71 Ų | 71 | 101.1 Ų | 101.1 | 50% | 0.497 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.9 | -43 | 173.8 | -56.7 | 0 | 0 | 0 | 0 | 111.8 | G373 T374 L375 K380 N381 | G373-S377 PolarHBondContact O-N 3.3Å; G373-S377 VanDerWaalsContact O-N 3.09Å; G373-S377 PolarHBondContact O-OG 3Å; T374-S377 PolarHBondContact O-N 2.74Å; L375-S377 VanDerWaalsContact C-N 3.35Å; L375-S377 PolarHBondContact O-N 2.84Å; S377-K380 PolarHBondContact O-N 3.4Å; S377-N381 PolarHBondContact O-N 2.95Å; S377-N381 PolarHBondContact O-OD1 2.8Å |
| 378 | A | 97.3 | Very high | 97.1 | Very high | 46 Ų | 46 | 102.4 Ų | 102.4 | 38% | 0.38 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.3 | -42.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | T374 L375 N381 L382 | T374-A378 WeakPolarHBondContact O-CB 3.32Å; T374-A378 PolarHBondContact O-N 3.48Å; L375-A378 PolarHBondContact O-N 3.19Å; A378-N381 PolarHBondContact O-N 3.27Å; A378-L382 WeakPolarHBondContact O-CG 3.46Å; A378-L382 PolarHBondContact O-N 3.07Å |
| 379 | H | 96.7 | Very high | 97 | Very high | 112 Ų | 112 | 102.8 Ų | 102.8 | 52% | 0.519 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.2 | -46.2 | 174.8 | -177.9 | 18.4 | 0 | 0 | 0 | 111.7 | L375 N381 L382 E383 | L375-H379 WeakPolarHBondContact O-CB 3.43Å; L375-H379 PolarHBondContact O-N 2.9Å; H379-N381 VanDerWaalsContact C-N 3.3Å; H379-N381 PolarHBondContact O-N 3.06Å; H379-L382 WeakPolarHBondContact O-CB 3.43Å; H379-L382 PolarHBondContact O-N 2.96Å; H379-L382 VanDerWaalsContact O-N 3.13Å; H379-E383 WeakPolarHBondContact O-CG 3.35Å; H379-E383 PolarHBondContact O-N 2.86Å |
| 380 | K | 97.5 | Very high | 96.9 | Very high | 138 Ų | 138 | 101.9 Ų | 101.9 | 60% | 0.6 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.3 | -36.2 | 176.6 | -173.6 | -177.8 | 176.4 | -172.8 | 0 | 112.8 | K376 S377 E383 V384 | K376-K380 PolarHBondContact O-N 2.74Å; K376-K380 VanDerWaalsContact O-N 3.12Å; S377-K380 PolarHBondContact O-N 3.4Å; K380-E383 PolarHBondContact O-N 2.87Å; K380-V384 WeakPolarHBondContact O-CG2 3.2Å; K380-V384 PolarHBondContact O-N 3.03Å |
| 381 | N | 96.8 | Very high | 96.7 | Very high | 102 Ų | 102 | 102.6 Ų | 102.6 | 55% | 0.545 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66 | -43.2 | 174.4 | -69 | -0.6 | 0 | 0 | 0 | 111 | S377 A378 H379 E383 V384 E385 | S377-N381 PolarHBondContact O-N 2.95Å; S377-N381 PolarHBondContact O-OD1 2.8Å; A378-N381 PolarHBondContact O-N 3.27Å; H379-N381 VanDerWaalsContact C-N 3.3Å; H379-N381 PolarHBondContact O-N 3.06Å; N381-E383 VanDerWaalsContact C-N 3.34Å; N381-E383 PolarHBondContact O-N 2.94Å; N381-V384 PolarHBondContact O-N 3.18Å; N381-V384 VanDerWaalsContact O-N 3.14Å; N381-E385 PolarHBondContact O-N 2.94Å |
| 382 | L | 96.4 | Very high | 96.6 | Very high | 105 Ų | 105 | 103.8 Ų | 103.8 | 55% | 0.55 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.6 | -33.7 | 175.9 | -69.8 | 168.2 | 0 | 0 | 0 | 113 | A378 H379 V384 E385 H386 | A378-L382 WeakPolarHBondContact O-CG 3.46Å; A378-L382 PolarHBondContact O-N 3.07Å; H379-L382 WeakPolarHBondContact O-CB 3.43Å; H379-L382 PolarHBondContact O-N 2.96Å; H379-L382 VanDerWaalsContact O-N 3.13Å; L382-V384 VanDerWaalsContact C-N 3.32Å; L382-E385 PolarHBondContact O-N 3.4Å; L382-H386 VanDerWaalsContact O-CB 3.26Å; L382-H386 WeakPolarHBondContact O-CB 3.41Å; L382-H386 PolarHBondContact O-N 2.77Å |
| 383 | E | 96.8 | Very high | 96.4 | Very high | 113 Ų | 113 | 105.2 Ų | 105.2 | 53% | 0.528 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.3 | -40.3 | 171.2 | -70.2 | 178.5 | 133.5 | 0 | 0 | 111.8 | H379 K380 N381 K387 | H379-E383 WeakPolarHBondContact O-CG 3.35Å; H379-E383 PolarHBondContact O-N 2.86Å; K380-E383 PolarHBondContact O-N 2.87Å; N381-E383 VanDerWaalsContact C-N 3.34Å; N381-E383 PolarHBondContact O-N 2.94Å; E383-K387 WeakPolarHBondContact O-CB 3.47Å; E383-K387 PolarHBondContact O-N 3Å; E383-K387 VanDerWaalsContact O-N 3.16Å |
| 384 | V | 96.8 | Very high | 96.2 | Very high | 81 Ų | 81 | 106.6 Ų | 106.6 | 49% | 0.491 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -70.5 | -46.7 | 176.5 | 174.6 | 0 | 0 | 0 | 0 | 111.1 | K380 N381 L382 H386 K387 D388 | K380-V384 WeakPolarHBondContact O-CG2 3.2Å; K380-V384 PolarHBondContact O-N 3.03Å; N381-V384 PolarHBondContact O-N 3.18Å; N381-V384 VanDerWaalsContact O-N 3.14Å; L382-V384 VanDerWaalsContact C-N 3.32Å; V384-H386 VanDerWaalsContact C-N 3.34Å; V384-H386 PolarHBondContact O-N 2.83Å; V384-K387 PolarHBondContact O-N 3.39Å; V384-D388 PolarHBondContact O-N 3.36Å |
| 385 | E | 95.4 | Very high | 95.9 | Very high | 117 Ų | 117 | 108 Ų | 108 | 55% | 0.547 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.8 | -39.2 | 177.6 | -72.3 | 179.9 | 177.6 | 0 | 0 | 112.5 | N381 L382 D388 L389 | N381-E385 PolarHBondContact O-N 2.94Å; L382-E385 PolarHBondContact O-N 3.4Å; E385-D388 PolarHBondContact O-N 3.46Å; E385-L389 PolarHBondContact O-N 2.92Å |
| 386 | H | 95.3 | Very high | 95.6 | Very high | 129 Ų | 129 | 107.5 Ų | 107.5 | 60% | 0.597 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.5 | -45.6 | 173.8 | -175.9 | -70.7 | 0 | 0 | 0 | 111.2 | L382 V384 L389 E390 | L382-H386 VanDerWaalsContact O-CB 3.26Å; L382-H386 WeakPolarHBondContact O-CB 3.41Å; L382-H386 PolarHBondContact O-N 2.77Å; V384-H386 VanDerWaalsContact C-N 3.34Å; V384-H386 PolarHBondContact O-N 2.83Å; H386-L389 WeakPolarHBondContact O-CB 3.3Å; H386-L389 PolarHBondContact O-N 3.32Å; H386-E390 IonicContact CE1-OE2 2.66Å; H386-E390 IonicContact ND1-OE2 2.88Å; H386-E390 WeakPolarHBondContact O-CB 3.45Å; H386-E390 PolarHBondContact O-N 3.39Å |
| 387 | K | 96.4 | Very high | 95.3 | Very high | 127 Ų | 127 | 105 Ų | 105 | 55% | 0.552 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.5 | -43.2 | 178.6 | -172.9 | 178.1 | 178.8 | -178.2 | 0 | 112.1 | E383 V384 L389 E390 D391 | E383-K387 WeakPolarHBondContact O-CB 3.47Å; E383-K387 PolarHBondContact O-N 3Å; E383-K387 VanDerWaalsContact O-N 3.16Å; V384-K387 PolarHBondContact O-N 3.39Å; K387-L389 VanDerWaalsContact C-N 3.27Å; K387-L389 PolarHBondContact O-N 3.48Å; K387-E390 PolarHBondContact O-N 2.9Å; K387-E390 VanDerWaalsContact O-N 3.16Å; K387-D391 PolarHBondContact O-N 3.23Å |
| 388 | D | 95.9 | Very high | 94.9 | Very high | 77 Ų | 77 | 108.7 Ų | 108.7 | 41% | 0.412 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.2 | -36.4 | 174 | -90.4 | 23.2 | 0 | 0 | 0 | 111.9 | V384 E385 R392 | V384-D388 PolarHBondContact O-N 3.36Å; E385-D388 PolarHBondContact O-N 3.46Å; D388-R392 WeakPolarHBondContact O-CB 3.25Å; D388-R392 WeakPolarHBondContact O-CD 3.5Å; D388-R392 WeakPolarHBondContact O-CG 3.3Å; D388-R392 PolarHBondContact O-N 3.14Å; D388-R392 IonicContact OD2-NH2 2.64Å |
| 389 | L | 95.3 | Very high | 94.5 | Very high | 115 Ų | 115 | 110.8 Ų | 110.8 | 60% | 0.602 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -68.9 | -41.9 | 172.9 | -109.1 | 73.2 | 0 | 0 | 0 | 112.3 | E385 H386 K387 R392 Y393 | E385-L389 PolarHBondContact O-N 2.92Å; H386-L389 WeakPolarHBondContact O-CB 3.3Å; H386-L389 PolarHBondContact O-N 3.32Å; K387-L389 VanDerWaalsContact C-N 3.27Å; K387-L389 PolarHBondContact O-N 3.48Å; L389-R392 PolarHBondContact O-N 2.97Å; L389-Y393 WeakPolarHBondContact O-CB 3.45Å; L389-Y393 PolarHBondContact O-N 3.25Å |
| 390 | E | 95.1 | Very high | 93.9 | Very high | 103 Ų | 103 | 110.6 Ų | 110.6 | 48% | 0.481 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.6 | -45.1 | 178.8 | -175.4 | 174.6 | -179.2 | 0 | 0 | 111.4 | H386 K387 R392 Y393 N394 | H386-E390 IonicContact CE1-OE2 2.66Å; H386-E390 IonicContact ND1-OE2 2.88Å; H386-E390 WeakPolarHBondContact O-CB 3.45Å; H386-E390 PolarHBondContact O-N 3.39Å; K387-E390 PolarHBondContact O-N 2.9Å; K387-E390 VanDerWaalsContact O-N 3.16Å; E390-R392 PolarHBondContact O-N 3.22Å; E390-Y393 PolarHBondContact O-N 3.11Å; E390-N394 WeakPolarHBondContact O-CB 3.36Å; E390-N394 PolarHBondContact O-N 2.86Å; E390-N394 PolarHBondContact O-ND2 2.89Å |
| 391 | D | 95.1 | Very high | 93.2 | Very high | 93 Ų | 93 | 105.5 Ų | 105.5 | 50% | 0.497 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.7 | -40.7 | 174.8 | -81.3 | -34.4 | 0 | 0 | 0 | 111.6 | K387 N394 Q395 | K387-D391 PolarHBondContact O-N 3.23Å; D391-N394 PolarHBondContact O-N 2.84Å; D391-Q395 WeakPolarHBondContact O-CB 3.23Å; D391-Q395 PolarHBondContact O-N 3.38Å |
| 392 | R | 94.8 | Very high | 92.4 | Very high | 150 Ų | 150 | 107.6 Ų | 107.6 | 57% | 0.566 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.2 | -42.4 | 173.2 | -72.3 | 170.6 | -159.3 | -164.5 | 9.3 | 112.7 | D388 L389 E390 Q395 L396 | D388-R392 WeakPolarHBondContact O-CB 3.25Å; D388-R392 WeakPolarHBondContact O-CD 3.5Å; D388-R392 WeakPolarHBondContact O-CG 3.3Å; D388-R392 PolarHBondContact O-N 3.14Å; D388-R392 IonicContact OD2-NH2 2.64Å; L389-R392 PolarHBondContact O-N 2.97Å; E390-R392 PolarHBondContact O-N 3.22Å; R392-Q395 PolarHBondContact O-N 3.38Å; R392-L396 WeakPolarHBondContact O-CG 3.3Å; R392-L396 PolarHBondContact O-N 2.68Å |
| 393 | Y | 93.6 | Very high | 91.5 | Very high | 147 Ų | 147 | 109.6 Ų | 109.6 | 58% | 0.576 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.2 | -45.9 | 176.4 | 174.7 | -96.9 | 0 | 0 | 0 | 110.8 | L389 E390 Q395 L396 L397 | L389-Y393 WeakPolarHBondContact O-CB 3.45Å; L389-Y393 PolarHBondContact O-N 3.25Å; E390-Y393 PolarHBondContact O-N 3.11Å; Y393-Q395 VanDerWaalsContact C-N 3.28Å; Y393-Q395 PolarHBondContact O-N 3.39Å; Y393-L396 PolarHBondContact O-N 3.33Å; Y393-L397 HydrophobicContact CE1-CD2 4.24Å; Y393-L397 WeakPolarHBondContact O-CB 3.35Å; Y393-L397 PolarHBondContact O-N 2.87Å |
| 394 | N | 93.6 | Very high | 90.3 | Very high | 62 Ų | 62 | 110.6 Ų | 110.6 | 33% | 0.332 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.1 | -33.4 | 175 | -76.4 | -47.1 | 0 | 0 | 0 | 112.6 | E390 D391 K398 | E390-N394 WeakPolarHBondContact O-CB 3.36Å; E390-N394 PolarHBondContact O-N 2.86Å; E390-N394 PolarHBondContact O-ND2 2.89Å; D391-N394 PolarHBondContact O-N 2.84Å; N394-K398 WeakPolarHBondContact O-CG 3.18Å; N394-K398 PolarHBondContact O-N 3.12Å |
| 395 | Q | 92.6 | Very high | 88.2 | Confident | 120 Ų | 120 | 116.6 Ų | 116.6 | 56% | 0.561 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -69.9 | -44.9 | 173.7 | -169.8 | 175.3 | 21.7 | 0 | 0 | 112.2 | D391 R392 Y393 L397 K398 Q399 | D391-Q395 WeakPolarHBondContact O-CB 3.23Å; D391-Q395 PolarHBondContact O-N 3.38Å; R392-Q395 PolarHBondContact O-N 3.38Å; Y393-Q395 VanDerWaalsContact C-N 3.28Å; Y393-Q395 PolarHBondContact O-N 3.39Å; Q395-L397 VanDerWaalsContact C-N 3.34Å; Q395-L397 PolarHBondContact O-N 3.48Å; Q395-K398 PolarHBondContact O-N 2.84Å; Q395-Q399 WeakPolarHBondContact O-CG 3.4Å; Q395-Q399 PolarHBondContact O-N 3.04Å |
| 396 | L | 91.5 | Very high | 87.8 | Confident | 109 Ų | 109 | 116.6 Ų | 116.6 | 57% | 0.571 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -63.7 | -37.8 | 175.1 | -72.8 | 168.4 | 0 | 0 | 0 | 112 | R392 Y393 Q399 K400 | R392-L396 WeakPolarHBondContact O-CG 3.3Å; R392-L396 PolarHBondContact O-N 2.68Å; Y393-L396 PolarHBondContact O-N 3.33Å; L396-Q399 PolarHBondContact O-N 3.37Å; L396-K400 WeakPolarHBondContact O-CB 3.46Å; L396-K400 PolarHBondContact O-N 3.13Å |
| 397 | L | 90.3 | Very high | 87.4 | Confident | 89 Ų | 89 | 115.9 Ų | 115.9 | 47% | 0.466 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.5 | -39.4 | 176.9 | -169.4 | 67.5 | 0 | 0 | 0 | 111.7 | Y393 Q395 K400 G401 | Y393-L397 HydrophobicContact CE1-CD2 4.24Å; Y393-L397 WeakPolarHBondContact O-CB 3.35Å; Y393-L397 PolarHBondContact O-N 2.87Å; Q395-L397 VanDerWaalsContact C-N 3.34Å; Q395-L397 PolarHBondContact O-N 3.48Å; L397-K400 PolarHBondContact O-N 2.93Å; L397-G401 PolarHBondContact O-N 3.45Å; L397-G401 VanDerWaalsContact O-N 3.12Å |
| 398 | K | 89.3 | Confident | 86.9 | Confident | 148 Ų | 148 | 115.3 Ų | 115.3 | 64% | 0.643 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.9 | -43.9 | 171.9 | -73.1 | 168.7 | -177 | 172.9 | 0 | 112.1 | N394 Q395 K400 G401 Q402 | N394-K398 WeakPolarHBondContact O-CG 3.18Å; N394-K398 PolarHBondContact O-N 3.12Å; Q395-K398 PolarHBondContact O-N 2.84Å; K398-K400 VanDerWaalsContact C-N 3.31Å; K398-K400 PolarHBondContact O-N 2.69Å; K398-G401 PolarHBondContact O-N 2.94Å; K398-Q402 WeakPolarHBondContact O-CG 3.29Å; K398-Q402 PolarHBondContact O-N 3.47Å; K398-Q402 VanDerWaalsContact O-N 3.08Å |
| 399 | Q | 88.9 | Confident | 86.4 | Confident | 90 Ų | 90 | 117.6 Ų | 117.6 | 42% | 0.421 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.1 | -36.8 | 175.8 | -73.9 | 177.2 | -14.4 | 0 | 0 | 112.2 | Q395 L396 Q402 L403 | Q395-Q399 WeakPolarHBondContact O-CG 3.4Å; Q395-Q399 PolarHBondContact O-N 3.04Å; L396-Q399 PolarHBondContact O-N 3.37Å; Q399-Q402 PolarHBondContact O-N 3.44Å; Q399-L403 WeakPolarHBondContact O-CG 3.33Å; Q399-L403 PolarHBondContact O-N 3.1Å |
| 400 | K | 85.3 | Confident | 85.9 | Confident | 108 Ų | 108 | 117.8 Ų | 117.8 | 47% | 0.47 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.8 | -47.2 | 174.7 | -175.2 | 178.7 | -179.9 | -75.5 | 0 | 111.5 | L396 L397 K398 Q402 L403 E404 | L396-K400 WeakPolarHBondContact O-CB 3.46Å; L396-K400 PolarHBondContact O-N 3.13Å; L397-K400 PolarHBondContact O-N 2.93Å; K398-K400 VanDerWaalsContact C-N 3.31Å; K398-K400 PolarHBondContact O-N 2.69Å; K400-Q402 VanDerWaalsContact C-N 3.31Å; K400-Q402 PolarHBondContact O-N 2.91Å; K400-L403 CarbonylContact O-C 3.54Å; K400-L403 PolarHBondContact O-N 3.34Å; K400-E404 WeakPolarHBondContact CE-OE1 3.31Å; K400-E404 IonicContact NZ-OE1 3.9Å; K400-E404 PolarHBondContact NZ-OE1 3.22Å; K400-E404 IonicContact NZ-OE2 2.64Å; K400-E404 PolarHBondContact NZ-OE2 2.65Å; K400-E404 PolarHBondContact O-N 3.23Å |
| 401 | G | 81.5 | Confident | 85.2 | Confident | 30 Ų | 30 | 118.7 Ų | 118.7 | 31% | 0.309 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -57.5 | -43.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L397 K398 L403 E404 D405 | L397-G401 PolarHBondContact O-N 3.45Å; L397-G401 VanDerWaalsContact O-N 3.12Å; K398-G401 PolarHBondContact O-N 2.94Å; G401-L403 PolarHBondContact O-N 3.24Å; G401-E404 PolarHBondContact O-N 3.27Å; G401-D405 PolarHBondContact O-N 2.82Å |
| 402 | Q | 81.6 | Confident | 84.5 | Confident | 147 Ų | 147 | 120.6 Ų | 120.6 | 69% | 0.687 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -0.8 | 175 | -69.5 | 175.7 | -22.3 | 0 | 0 | 115.3 | K398 Q399 K400 | K398-Q402 WeakPolarHBondContact O-CG 3.29Å; K398-Q402 PolarHBondContact O-N 3.47Å; K398-Q402 VanDerWaalsContact O-N 3.08Å; Q399-Q402 PolarHBondContact O-N 3.44Å; K400-Q402 VanDerWaalsContact C-N 3.31Å; K400-Q402 PolarHBondContact O-N 2.91Å |
| 403 | L | 76.7 | Confident | 83.7 | Confident | 147 Ų | 147 | 118.3 Ų | 118.3 | 77% | 0.77 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120 | 1.5 | 175.4 | -67.8 | 170.3 | 0 | 0 | 0 | 112.4 | Q399 K400 G401 | Q399-L403 WeakPolarHBondContact O-CG 3.33Å; Q399-L403 PolarHBondContact O-N 3.1Å; K400-L403 CarbonylContact O-C 3.54Å; K400-L403 PolarHBondContact O-N 3.34Å; G401-L403 PolarHBondContact O-N 3.24Å |
| 404 | E | 72.3 | Confident | 82.9 | Confident | 133 Ų | 133 | 115.9 Ų | 115.9 | 62% | 0.621 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.3 | -5.6 | 176.9 | -69.7 | -179.9 | 141.8 | 0 | 0 | 112.8 | K400 G401 | K400-E404 WeakPolarHBondContact CE-OE1 3.31Å; K400-E404 IonicContact NZ-OE1 3.9Å; K400-E404 PolarHBondContact NZ-OE1 3.22Å; K400-E404 IonicContact NZ-OE2 2.64Å; K400-E404 PolarHBondContact NZ-OE2 2.65Å; K400-E404 PolarHBondContact O-N 3.23Å; G401-E404 PolarHBondContact O-N 3.27Å |
| 405 | D | 51.8 | Low | 82 | Confident | 208 Ų | 208 | 120.8 Ų | 120.8 | 100% | 1.112 | 60% | 0.603 | S | S | * | * | trans | -95.6 | 0 | 164.3 | -73.1 | -36.8 | 0 | 0 | 0 | 111.5 | G401 | G401-D405 PolarHBondContact O-N 2.82Š|
Retrieved 405 of 405 residues in 138.9 ms
(Link to these results)