| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 43.6 | Very low | 79.6 | Confident | 241 Ų | 241 | 118.4 Ų | 118.4 | 100% | 1.187 | 65% | 0.648 | S | S | * | * | 0 | 110.2 | 0 | -68.3 | -179.6 | 177.8 | 0 | 0 | 106 | G3 | M1-G3 PolarHBondContact O-N 2.9Å; M1-G3 VanDerWaalsContact O-N 3.1Å | |||
| 2 | A | 61 | Low | 80.9 | Confident | 101 Ų | 101 | 116.2 Ų | 116.2 | 84% | 0.835 | 63% | 0.633 | S | S | * | * | trans | -55 | 119 | 177.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | Q4 | A2-Q4 PolarHBondContact O-N 3.1Š| ||
| 3 | G | 64.6 | Low | 82.1 | Confident | 70 Ų | 70 | 117.2 Ų | 117.2 | 72% | 0.722 | 63% | 0.631 | S | S | * | * | trans | -55.5 | 108.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | M1 E5 | M1-G3 PolarHBondContact O-N 2.9Å; M1-G3 VanDerWaalsContact O-N 3.1Å; G3-E5 VanDerWaalsContact C-N 3.29Å; G3-E5 PolarHBondContact O-N 2.92Å | ||
| 4 | Q | 68.9 | Low | 83.2 | Confident | 176 Ų | 176 | 116.4 Ų | 116.4 | 82% | 0.822 | 62% | 0.621 | S | S | * | * | trans | -60.9 | 106 | 162.7 | -76 | 178.1 | -32.5 | 0 | 0 | 104.3 | A2 D6 | A2-Q4 PolarHBondContact O-N 3.1Å; Q4-D6 PolarHBondContact O-N 3.28Å | ||
| 5 | E | 73.4 | Confident | 84.2 | Confident | 88 Ų | 88 | 113.1 Ų | 113.1 | 41% | 0.411 | 60% | 0.603 | S | S | . | * | trans | -49.7 | 133.7 | 172.5 | -65.9 | -176.7 | 137.4 | 0 | 0 | 108.4 | G3 R10 | G3-E5 VanDerWaalsContact C-N 3.29Å; G3-E5 PolarHBondContact O-N 2.92Å; E5-R10 HydrophobicContact CB-CG 3.75Å; E5-R10 PolarHBondContact O-NE 2.92Å; E5-R10 PolarHBondContact O-NH2 3Å | ||
| 6 | D | 90.4 | Very high | 85.1 | Confident | 88 Ų | 88 | 116.1 Ų | 116.1 | 47% | 0.471 | 60% | 0.604 | S | S | . | * | trans | -47.4 | 133.5 | 174.1 | -175.1 | -32.4 | 0 | 0 | 0 | 108.5 | Q4 V8 Q9 R10 | Q4-D6 PolarHBondContact O-N 3.28Å; D6-V8 PolarHBondContact O-N 3.25Å; D6-V8 WeakPolarHBondContact OD1-CB 3.38Å; D6-V8 PolarHBondContact OD1-N 3.49Å; D6-Q9 HydrophobicContact CB-CB 4.1Å; D6-Q9 WeakPolarHBondContact O-CA 3.42Å; D6-Q9 WeakPolarHBondContact O-CB 3.5Å; D6-Q9 PolarHBondContact O-N 3.34Å; D6-R10 PolarHBondContact O-N 3.03Å | ||
| 7 | P | 93.2 | Very high | 85.8 | Confident | 89 Ų | 89 | 111.7 Ų | 111.7 | 58% | 0.578 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -42.2 | -40.7 | 172.3 | -30.8 | 34.8 | 0 | 0 | 0 | 113.5 | R10 E11 | P7-R10 PolarHBondContact O-N 2.83Å; P7-E11 WeakPolarHBondContact O-CG 3.42Å; P7-E11 PolarHBondContact O-N 3.44Å |
| 8 | V | 94.4 | Very high | 86.5 | Confident | 82 Ų | 82 | 109.8 Ų | 109.8 | 50% | 0.497 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64.4 | -41.8 | 177.3 | -180 | 0 | 0 | 0 | 0 | 111.5 | D6 R10 E11 I12 | D6-V8 PolarHBondContact O-N 3.25Å; D6-V8 WeakPolarHBondContact OD1-CB 3.38Å; D6-V8 PolarHBondContact OD1-N 3.49Å; V8-R10 VanDerWaalsContact C-N 3.34Å; V8-R10 PolarHBondContact O-N 3.05Å; V8-E11 PolarHBondContact O-N 3.4Å; V8-I12 HydrophobicContact CG1-CD1 3.96Å; V8-I12 VanDerWaalsContact O-CG1 3.26Å; V8-I12 WeakPolarHBondContact O-CG1 3.43Å; V8-I12 PolarHBondContact O-N 2.91Å |
| 9 | Q | 95.1 | Very high | 87.2 | Confident | 104 Ų | 104 | 111.4 Ų | 111.4 | 49% | 0.486 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -65.7 | -38.2 | 178.4 | -174.7 | 174.8 | -26.6 | 0 | 0 | 111.7 | D6 I12 H13 | D6-Q9 HydrophobicContact CB-CB 4.1Å; D6-Q9 WeakPolarHBondContact O-CA 3.42Å; D6-Q9 WeakPolarHBondContact O-CB 3.5Å; D6-Q9 PolarHBondContact O-N 3.34Å; Q9-I12 PolarHBondContact O-N 3.05Å; Q9-H13 WeakPolarHBondContact O-CB 3.26Å; Q9-H13 PolarHBondContact O-N 3.28Å |
| 10 | R | 94.1 | Very high | 87.7 | Confident | 124 Ų | 124 | 112.5 Ų | 112.5 | 47% | 0.468 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65.1 | -44.1 | 174.4 | -66.1 | -176.9 | -174.3 | 164.2 | 8.8 | 112 | E5 D6 P7 V8 I12 H13 Q14 | E5-R10 HydrophobicContact CB-CG 3.75Å; E5-R10 PolarHBondContact O-NE 2.92Å; E5-R10 PolarHBondContact O-NH2 3Å; D6-R10 PolarHBondContact O-N 3.03Å; P7-R10 PolarHBondContact O-N 2.83Å; V8-R10 VanDerWaalsContact C-N 3.34Å; V8-R10 PolarHBondContact O-N 3.05Å; R10-I12 VanDerWaalsContact C-N 3.33Å; R10-I12 PolarHBondContact O-N 3.36Å; R10-H13 PolarHBondContact O-N 2.96Å; R10-Q14 WeakPolarHBondContact O-CB 3.5Å; R10-Q14 PolarHBondContact O-N 2.96Å |
| 11 | E | 96.6 | Very high | 88.3 | Confident | 139 Ų | 139 | 114.7 Ų | 114.7 | 65% | 0.65 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -60.1 | -44.1 | 176.1 | -76.2 | 179 | -177.3 | 0 | 0 | 111.4 | P7 V8 Q14 D15 | P7-E11 WeakPolarHBondContact O-CG 3.42Å; P7-E11 PolarHBondContact O-N 3.44Å; V8-E11 PolarHBondContact O-N 3.4Å; E11-Q14 PolarHBondContact O-N 2.92Å; E11-D15 PolarHBondContact O-N 3.35Å |
| 12 | I | 95.9 | Very high | 90.9 | Very high | 92 Ų | 92 | 108.2 Ų | 108.2 | 47% | 0.472 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -60.5 | -48.2 | 175.4 | -69.6 | 166.4 | 0 | 0 | 0 | 110.5 | V8 Q9 R10 Q14 D15 W16 | V8-I12 HydrophobicContact CG1-CD1 3.96Å; V8-I12 VanDerWaalsContact O-CG1 3.26Å; V8-I12 WeakPolarHBondContact O-CG1 3.43Å; V8-I12 PolarHBondContact O-N 2.91Å; Q9-I12 PolarHBondContact O-N 3.05Å; R10-I12 VanDerWaalsContact C-N 3.33Å; R10-I12 PolarHBondContact O-N 3.36Å; I12-Q14 VanDerWaalsContact C-N 3.3Å; I12-Q14 PolarHBondContact O-N 3.35Å; I12-D15 PolarHBondContact O-N 3.04Å; I12-W16 PolarHBondContact O-N 3.29Å |
| 13 | H | 96.2 | Very high | 92.7 | Very high | 130 Ų | 130 | 110 Ų | 110 | 60% | 0.602 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.6 | -40.1 | -179.8 | -164.5 | 77.5 | 0 | 0 | 0 | 112 | Q9 R10 W16 A17 | Q9-H13 WeakPolarHBondContact O-CB 3.26Å; Q9-H13 PolarHBondContact O-N 3.28Å; R10-H13 PolarHBondContact O-N 2.96Å; H13-W16 PolarHBondContact O-N 3.49Å; H13-A17 PolarHBondContact O-N 3.45Å |
| 14 | Q | 97.3 | Very high | 94.3 | Very high | 106 Ų | 106 | 110.7 Ų | 110.7 | 50% | 0.495 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.7 | -38.4 | 175.4 | -172 | 60.8 | 60.1 | 0 | 0 | 112.3 | R10 E11 I12 A17 N18 | R10-Q14 WeakPolarHBondContact O-CB 3.5Å; R10-Q14 PolarHBondContact O-N 2.96Å; E11-Q14 PolarHBondContact O-N 2.92Å; I12-Q14 VanDerWaalsContact C-N 3.3Å; I12-Q14 PolarHBondContact O-N 3.35Å; Q14-A17 PolarHBondContact O-N 3.22Å; Q14-N18 PolarHBondContact NE2-OD1 2.97Å; Q14-N18 WeakPolarHBondContact O-CB 3.44Å; Q14-N18 PolarHBondContact O-N 2.94Å; Q14-N18 PolarHBondContact O-ND2 2.74Å; Q14-N18 PolarHBondContact O-OD1 2.82Å |
| 15 | D | 98.1 | Very high | 95.7 | Very high | 66 Ų | 66 | 105.6 Ų | 105.6 | 35% | 0.353 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 174.9 | -172.5 | 57.5 | 0 | 0 | 0 | 111.4 | E11 I12 N18 R19 | E11-D15 PolarHBondContact O-N 3.35Å; I12-D15 PolarHBondContact O-N 3.04Å; D15-N18 PolarHBondContact O-N 3.05Å; D15-R19 VanDerWaalsContact O-CG 3.32Å; D15-R19 WeakPolarHBondContact O-CG 3.49Å; D15-R19 PolarHBondContact O-N 3.47Å; D15-R19 IonicContact OD1-NE 3.84Å; D15-R19 IonicContact OD2-CZ 3.09Å; D15-R19 IonicContact OD2-NE 2.82Å; D15-R19 PolarHBondContact OD2-NE 3.4Å; D15-R19 IonicContact OD2-NH2 2.74Å; D15-R19 PolarHBondContact OD2-NH2 3.41Å |
| 16 | W | 98.3 | Very high | 96.9 | Very high | 162 Ų | 162 | 105.4 Ų | 105.4 | 61% | 0.614 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.5 | -46.4 | 173.8 | -76.6 | 106.7 | 0 | 0 | 0 | 112.4 | I12 H13 N18 R19 E20 | I12-W16 PolarHBondContact O-N 3.29Å; H13-W16 PolarHBondContact O-N 3.49Å; W16-N18 VanDerWaalsContact C-N 3.31Å; W16-N18 PolarHBondContact O-N 2.89Å; W16-R19 PolarHBondContact O-N 2.92Å; W16-E20 PolarHBondContact O-N 3.34Å |
| 17 | A | 98.2 | Very high | 97.3 | Very high | 41 Ų | 41 | 103.7 Ų | 103.7 | 34% | 0.339 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.9 | -40.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | H13 Q14 Y21 | H13-A17 PolarHBondContact O-N 3.45Å; Q14-A17 PolarHBondContact O-N 3.22Å; A17-Y21 WeakPolarHBondContact O-CB 3.32Å; A17-Y21 PolarHBondContact O-N 3.34Å |
| 18 | N | 98.5 | Very high | 97.6 | Very high | 78 Ų | 78 | 101.9 Ų | 101.9 | 42% | 0.417 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.6 | -41.4 | 176 | -68.2 | -16.2 | 0 | 0 | 0 | 111.8 | Q14 D15 W16 Y21 I22 | Q14-N18 PolarHBondContact NE2-OD1 2.97Å; Q14-N18 WeakPolarHBondContact O-CB 3.44Å; Q14-N18 PolarHBondContact O-N 2.94Å; Q14-N18 PolarHBondContact O-ND2 2.74Å; Q14-N18 PolarHBondContact O-OD1 2.82Å; D15-N18 PolarHBondContact O-N 3.05Å; W16-N18 VanDerWaalsContact C-N 3.31Å; W16-N18 PolarHBondContact O-N 2.89Å; N18-Y21 PolarHBondContact O-N 3.34Å; N18-I22 VanDerWaalsContact O-CG1 3.31Å; N18-I22 WeakPolarHBondContact O-CG1 3.35Å; N18-I22 PolarHBondContact O-N 3.19Å |
| 19 | R | 98.6 | Very high | 97.8 | Very high | 140 Ų | 140 | 103 Ų | 103 | 53% | 0.528 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64 | -44.6 | 176.8 | -73.5 | 178.9 | -167.5 | -160.6 | 5.7 | 112 | D15 W16 Y21 I22 E23 | D15-R19 VanDerWaalsContact O-CG 3.32Å; D15-R19 WeakPolarHBondContact O-CG 3.49Å; D15-R19 PolarHBondContact O-N 3.47Å; D15-R19 IonicContact OD1-NE 3.84Å; D15-R19 IonicContact OD2-CZ 3.09Å; D15-R19 IonicContact OD2-NE 2.82Å; D15-R19 PolarHBondContact OD2-NE 3.4Å; D15-R19 IonicContact OD2-NH2 2.74Å; D15-R19 PolarHBondContact OD2-NH2 3.41Å; W16-R19 PolarHBondContact O-N 2.92Å; R19-Y21 VanDerWaalsContact C-N 3.33Å; R19-Y21 PolarHBondContact O-N 2.94Å; R19-I22 PolarHBondContact O-N 3.18Å; R19-E23 WeakPolarHBondContact O-CB 3.47Å; R19-E23 PolarHBondContact O-N 2.87Å |
| 20 | E | 98.5 | Very high | 98 | Very high | 133 Ų | 133 | 104.7 Ų | 104.7 | 62% | 0.621 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60 | -44.5 | 175.9 | -177.9 | 176.4 | -151.3 | 0 | 0 | 110.9 | W16 I22 E23 V24 | W16-E20 PolarHBondContact O-N 3.34Å; E20-I22 PolarHBondContact O-N 3.43Å; E20-E23 PolarHBondContact O-N 3.41Å; E20-V24 WeakPolarHBondContact O-CG2 3.31Å; E20-V24 PolarHBondContact O-N 3.05Å |
| 21 | Y | 98.5 | Very high | 98.2 | Very high | 159 Ų | 159 | 105.3 Ų | 105.3 | 62% | 0.624 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -58.6 | -47.3 | 175 | -178.7 | -99.6 | 0 | 0 | 0 | 112.1 | A17 N18 R19 E23 V24 I25 | A17-Y21 WeakPolarHBondContact O-CB 3.32Å; A17-Y21 PolarHBondContact O-N 3.34Å; N18-Y21 PolarHBondContact O-N 3.34Å; R19-Y21 VanDerWaalsContact C-N 3.33Å; R19-Y21 PolarHBondContact O-N 2.94Å; Y21-E23 VanDerWaalsContact C-N 3.3Å; Y21-E23 PolarHBondContact O-N 3.45Å; Y21-V24 PolarHBondContact O-N 2.99Å; Y21-I25 HydrophobicContact CD1-CG1 4.34Å; Y21-I25 HydrophobicContact CE1-CG1 3.97Å; Y21-I25 HydrophobicContact CE2-CD1 4.48Å; Y21-I25 HydrophobicContact CE2-CG1 4.4Å; Y21-I25 WeakPolarHBondContact O-CG1 3.36Å; Y21-I25 PolarHBondContact O-N 3.49Å |
| 22 | I | 98.6 | Very high | 98.3 | Very high | 105 Ų | 105 | 103.5 Ų | 103.5 | 54% | 0.538 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.2 | -40 | 176.7 | -69 | 166 | 0 | 0 | 0 | 111 | N18 R19 E20 I25 T26 | N18-I22 VanDerWaalsContact O-CG1 3.31Å; N18-I22 WeakPolarHBondContact O-CG1 3.35Å; N18-I22 PolarHBondContact O-N 3.19Å; R19-I22 PolarHBondContact O-N 3.18Å; E20-I22 PolarHBondContact O-N 3.43Å; I22-I25 PolarHBondContact O-N 2.87Å; I22-T26 VanDerWaalsContact O-CB 3.29Å; I22-T26 WeakPolarHBondContact O-CB 3.44Å; I22-T26 PolarHBondContact O-N 3.4Å; I22-T26 PolarHBondContact O-OG1 3Å |
| 23 | E | 98.7 | Very high | 98.4 | Very high | 139 Ų | 139 | 101.1 Ų | 101.1 | 65% | 0.65 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.8 | -45.2 | 178.3 | -175.5 | 176.6 | -176.8 | 0 | 0 | 111.7 | R19 E20 Y21 I25 T26 S27 | R19-E23 WeakPolarHBondContact O-CB 3.47Å; R19-E23 PolarHBondContact O-N 2.87Å; E20-E23 PolarHBondContact O-N 3.41Å; Y21-E23 VanDerWaalsContact C-N 3.3Å; Y21-E23 PolarHBondContact O-N 3.45Å; E23-I25 VanDerWaalsContact C-N 3.35Å; E23-I25 PolarHBondContact O-N 3.25Å; E23-T26 PolarHBondContact O-N 3.4Å; E23-S27 WeakPolarHBondContact O-CB 3.35Å; E23-S27 PolarHBondContact O-N 3.29Å |
| 24 | V | 98.6 | Very high | 98.6 | Very high | 83 Ų | 83 | 99.1 Ų | 99.1 | 50% | 0.503 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.3 | -45.8 | 175.9 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | E20 Y21 S27 S28 | E20-V24 WeakPolarHBondContact O-CG2 3.31Å; E20-V24 PolarHBondContact O-N 3.05Å; Y21-V24 PolarHBondContact O-N 2.99Å; V24-S27 PolarHBondContact O-N 3.45Å; V24-S28 WeakPolarHBondContact O-CB 3.33Å; V24-S28 PolarHBondContact O-N 3.01Å; V24-S28 PolarHBondContact O-OG 3.36Å |
| 25 | I | 98.6 | Very high | 98.6 | Very high | 70 Ų | 70 | 99.8 Ų | 99.8 | 36% | 0.359 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.6 | -46 | 177.3 | -65.1 | -61.6 | 0 | 0 | 0 | 110.8 | Y21 I22 E23 S27 S28 I29 | Y21-I25 HydrophobicContact CD1-CG1 4.34Å; Y21-I25 HydrophobicContact CE1-CG1 3.97Å; Y21-I25 HydrophobicContact CE2-CD1 4.48Å; Y21-I25 HydrophobicContact CE2-CG1 4.4Å; Y21-I25 WeakPolarHBondContact O-CG1 3.36Å; Y21-I25 PolarHBondContact O-N 3.49Å; I22-I25 PolarHBondContact O-N 2.87Å; E23-I25 VanDerWaalsContact C-N 3.35Å; E23-I25 PolarHBondContact O-N 3.25Å; I25-S27 VanDerWaalsContact C-N 3.33Å; I25-S27 PolarHBondContact O-N 3.38Å; I25-S28 WeakPolarHBondContact O-CB 3.38Å; I25-S28 PolarHBondContact O-N 3.44Å; I25-S28 VanDerWaalsContact O-N 3.12Å; I25-I29 HydrophobicContact CG2-CD1 3.82Å; I25-I29 HydrophobicContact CG2-CG1 4.39Å; I25-I29 WeakPolarHBondContact O-CG1 3.37Å; I25-I29 PolarHBondContact O-N 2.83Å |
| 26 | T | 98.8 | Very high | 98.7 | Very high | 83 Ų | 83 | 101.2 Ų | 101.2 | 51% | 0.509 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.3 | -45.5 | 178.3 | -59.2 | 0 | 0 | 0 | 0 | 111.4 | I22 E23 S28 I29 K30 | I22-T26 VanDerWaalsContact O-CB 3.29Å; I22-T26 WeakPolarHBondContact O-CB 3.44Å; I22-T26 PolarHBondContact O-N 3.4Å; I22-T26 PolarHBondContact O-OG1 3Å; E23-T26 PolarHBondContact O-N 3.4Å; T26-S28 VanDerWaalsContact C-N 3.33Å; T26-S28 PolarHBondContact O-N 3.46Å; T26-I29 PolarHBondContact O-N 2.71Å; T26-K30 PolarHBondContact O-N 2.8Å |
| 27 | S | 98.8 | Very high | 98.7 | Very high | 52 Ų | 52 | 98.5 Ų | 98.5 | 36% | 0.364 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.9 | -40.5 | 175.9 | -176.1 | 0 | 0 | 0 | 0 | 112 | E23 V24 I25 K30 K31 | E23-S27 WeakPolarHBondContact O-CB 3.35Å; E23-S27 PolarHBondContact O-N 3.29Å; V24-S27 PolarHBondContact O-N 3.45Å; I25-S27 VanDerWaalsContact C-N 3.33Å; I25-S27 PolarHBondContact O-N 3.38Å; S27-K30 PolarHBondContact O-N 2.88Å; S27-K31 WeakPolarHBondContact O-CG 3.44Å; S27-K31 PolarHBondContact O-N 3.01Å |
| 28 | S | 98.7 | Very high | 98.7 | Very high | 51 Ų | 51 | 99.9 Ų | 99.9 | 36% | 0.357 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.9 | -43.9 | 177.6 | -58.7 | 0 | 0 | 0 | 0 | 112 | V24 I25 T26 K30 K31 I32 | V24-S28 WeakPolarHBondContact O-CB 3.33Å; V24-S28 PolarHBondContact O-N 3.01Å; V24-S28 PolarHBondContact O-OG 3.36Å; I25-S28 WeakPolarHBondContact O-CB 3.38Å; I25-S28 PolarHBondContact O-N 3.44Å; I25-S28 VanDerWaalsContact O-N 3.12Å; T26-S28 VanDerWaalsContact C-N 3.33Å; T26-S28 PolarHBondContact O-N 3.46Å; S28-K30 VanDerWaalsContact C-N 3.32Å; S28-K30 PolarHBondContact O-N 3.12Å; S28-K31 PolarHBondContact O-N 3.28Å; S28-I32 WeakPolarHBondContact O-CG1 3.42Å; S28-I32 PolarHBondContact O-N 3Å |
| 29 | I | 98.8 | Very high | 98.7 | Very high | 106 Ų | 106 | 101.3 Ų | 101.3 | 54% | 0.544 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60 | -43.8 | 174.8 | -68.7 | 168.1 | 0 | 0 | 0 | 110.4 | I25 T26 K31 I32 A33 | I25-I29 HydrophobicContact CG2-CD1 3.82Å; I25-I29 HydrophobicContact CG2-CG1 4.39Å; I25-I29 WeakPolarHBondContact O-CG1 3.37Å; I25-I29 PolarHBondContact O-N 2.83Å; T26-I29 PolarHBondContact O-N 2.71Å; I29-K31 PolarHBondContact O-N 2.87Å; I29-I32 PolarHBondContact O-N 2.96Å; I29-A33 PolarHBondContact O-N 3.24Å |
| 30 | K | 98.8 | Very high | 98.7 | Very high | 139 Ų | 139 | 97.9 Ų | 97.9 | 60% | 0.604 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -59.7 | -46.6 | 176.8 | -173.3 | 175.7 | -179.2 | 177.9 | 0 | 111.9 | T26 S27 S28 I32 A33 D34 | T26-K30 PolarHBondContact O-N 2.8Å; S27-K30 PolarHBondContact O-N 2.88Å; S28-K30 VanDerWaalsContact C-N 3.32Å; S28-K30 PolarHBondContact O-N 3.12Å; K30-I32 VanDerWaalsContact C-N 3.31Å; K30-I32 PolarHBondContact O-N 3.5Å; K30-A33 PolarHBondContact O-N 2.9Å; K30-D34 VanDerWaalsContact O-CG 3.29Å; K30-D34 PolarHBondContact O-N 3.48Å |
| 31 | K | 98.8 | Very high | 98.7 | Very high | 138 Ų | 138 | 97.7 Ų | 97.7 | 60% | 0.6 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.9 | -40 | 176.4 | -71.3 | 171.5 | -175.6 | 175.3 | 0 | 112.4 | S27 S28 I29 D34 F35 | S27-K31 WeakPolarHBondContact O-CG 3.44Å; S27-K31 PolarHBondContact O-N 3.01Å; S28-K31 PolarHBondContact O-N 3.28Å; I29-K31 PolarHBondContact O-N 2.87Å; K31-D34 PolarHBondContact O-N 3.3Å; K31-F35 WeakPolarHBondContact O-CB 3.13Å; K31-F35 PolarHBondContact O-N 3.5Å |
| 32 | I | 98.9 | Very high | 98.7 | Very high | 101 Ų | 101 | 93 Ų | 93 | 52% | 0.518 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.5 | -45.1 | 176 | -67.9 | 165.2 | 0 | 0 | 0 | 110.2 | S28 I29 K30 D34 F35 L36 | S28-I32 WeakPolarHBondContact O-CG1 3.42Å; S28-I32 PolarHBondContact O-N 3Å; I29-I32 PolarHBondContact O-N 2.96Å; K30-I32 VanDerWaalsContact C-N 3.31Å; K30-I32 PolarHBondContact O-N 3.5Å; I32-D34 PolarHBondContact O-N 3.18Å; I32-F35 PolarHBondContact O-N 2.93Å; I32-L36 HydrophobicContact CG2-CD1 3.93Å; I32-L36 HydrophobicContact CG2-CG 4.3Å; I32-L36 VanDerWaalsContact O-CG 3.3Å; I32-L36 WeakPolarHBondContact O-CG 3.29Å; I32-L36 PolarHBondContact O-N 3.38Å |
| 33 | A | 98.9 | Very high | 98.8 | Very high | 41 Ų | 41 | 89.8 Ų | 89.8 | 34% | 0.339 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.7 | -44.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | I29 K30 F35 L36 N37 | I29-A33 PolarHBondContact O-N 3.24Å; K30-A33 PolarHBondContact O-N 2.9Å; A33-F35 VanDerWaalsContact C-N 3.33Å; A33-F35 PolarHBondContact O-N 2.94Å; A33-L36 PolarHBondContact O-N 3.38Å; A33-N37 WeakPolarHBondContact O-CB 3.3Å; A33-N37 VanDerWaalsContact O-CG 3.29Å; A33-N37 PolarHBondContact O-N 3.25Å; A33-N37 PolarHBondContact O-ND2 3.46Å; A33-N37 VanDerWaalsContact O-ND2 3.15Å |
| 34 | D | 98.8 | Very high | 98.8 | Very high | 88 Ų | 88 | 90.9 Ų | 90.9 | 47% | 0.471 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62 | -40.8 | 176.6 | -67.6 | -22 | 0 | 0 | 0 | 111.6 | K30 K31 I32 S38 | K30-D34 VanDerWaalsContact O-CG 3.29Å; K30-D34 PolarHBondContact O-N 3.48Å; K31-D34 PolarHBondContact O-N 3.3Å; I32-D34 PolarHBondContact O-N 3.18Å; D34-S38 PolarHBondContact O-N 2.79Å; D34-S38 PolarHBondContact O-OG 3.05Å |
| 35 | F | 98.8 | Very high | 98.8 | Very high | 120 Ų | 120 | 90.6 Ų | 90.6 | 53% | 0.526 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.3 | -48.6 | 172.8 | 171.4 | -99.8 | 0 | 0 | 0 | 111.8 | K31 I32 A33 N37 S38 F39 | K31-F35 WeakPolarHBondContact O-CB 3.13Å; K31-F35 PolarHBondContact O-N 3.5Å; I32-F35 PolarHBondContact O-N 2.93Å; A33-F35 VanDerWaalsContact C-N 3.33Å; A33-F35 PolarHBondContact O-N 2.94Å; F35-N37 VanDerWaalsContact C-N 3.31Å; F35-N37 PolarHBondContact O-N 3.31Å; F35-S38 PolarHBondContact O-N 2.97Å; F35-S38 PolarHBondContact O-OG 3.15Å; F35-F39 HydrophobicContact CE1-CB 4.36Å; F35-F39 HydrophobicContact CE1-CG 4.5Å; F35-F39 HydrophobicContact CZ-CB 4.29Å; F35-F39 HydrophobicContact CZ-CD2 4.04Å; F35-F39 HydrophobicContact CZ-CG 4.33Å; F35-F39 WeakPolarHBondContact O-CB 3.29Å; F35-F39 PolarHBondContact O-N 2.89Å |
| 36 | L | 98.9 | Very high | 98.8 | Very high | 96 Ų | 96 | 95.5 Ų | 95.5 | 50% | 0.503 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.4 | -39.1 | -179 | -70.7 | 173.9 | 0 | 0 | 0 | 112 | I32 A33 F39 D40 | I32-L36 HydrophobicContact CG2-CD1 3.93Å; I32-L36 HydrophobicContact CG2-CG 4.3Å; I32-L36 VanDerWaalsContact O-CG 3.3Å; I32-L36 WeakPolarHBondContact O-CG 3.29Å; I32-L36 PolarHBondContact O-N 3.38Å; A33-L36 PolarHBondContact O-N 3.38Å; L36-F39 PolarHBondContact O-N 3.02Å; L36-D40 WeakPolarHBondContact O-CB 3.48Å; L36-D40 PolarHBondContact O-N 2.95Å |
| 37 | N | 98.7 | Very high | 98.8 | Very high | 105 Ų | 105 | 97 Ų | 97 | 56% | 0.561 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.5 | -47 | 176.4 | -72.5 | -33.2 | 0 | 0 | 0 | 112 | A33 F35 F39 D40 M41 | A33-N37 WeakPolarHBondContact O-CB 3.3Å; A33-N37 VanDerWaalsContact O-CG 3.29Å; A33-N37 PolarHBondContact O-N 3.25Å; A33-N37 PolarHBondContact O-ND2 3.46Å; A33-N37 VanDerWaalsContact O-ND2 3.15Å; F35-N37 VanDerWaalsContact C-N 3.31Å; F35-N37 PolarHBondContact O-N 3.31Å; N37-F39 VanDerWaalsContact C-N 3.33Å; N37-D40 PolarHBondContact O-N 3.45Å; N37-M41 WeakPolarHBondContact O-CG 3.43Å; N37-M41 PolarHBondContact O-N 3.32Å; N37-M41 VanDerWaalsContact O-N 3.15Å |
| 38 | S | 98.8 | Very high | 98.8 | Very high | 70 Ų | 70 | 96.8 Ų | 96.8 | 49% | 0.49 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67 | -35.1 | 177 | 57.8 | 0 | 0 | 0 | 0 | 112.4 | D34 F35 S42 | D34-S38 PolarHBondContact O-N 2.79Å; D34-S38 PolarHBondContact O-OG 3.05Å; F35-S38 PolarHBondContact O-N 2.97Å; F35-S38 PolarHBondContact O-OG 3.15Å; S38-S42 WeakPolarHBondContact O-CB 3.45Å; S38-S42 PolarHBondContact O-N 3.48Å |
| 39 | F | 98.8 | Very high | 98.8 | Very high | 109 Ų | 109 | 97.1 Ų | 97.1 | 48% | 0.478 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.1 | -45.3 | 175.4 | -177.8 | -97.8 | 0 | 0 | 0 | 112.1 | F35 L36 N37 M41 S42 C43 | F35-F39 HydrophobicContact CE1-CB 4.36Å; F35-F39 HydrophobicContact CE1-CG 4.5Å; F35-F39 HydrophobicContact CZ-CB 4.29Å; F35-F39 HydrophobicContact CZ-CD2 4.04Å; F35-F39 HydrophobicContact CZ-CG 4.33Å; F35-F39 WeakPolarHBondContact O-CB 3.29Å; F35-F39 PolarHBondContact O-N 2.89Å; L36-F39 PolarHBondContact O-N 3.02Å; N37-F39 VanDerWaalsContact C-N 3.33Å; F39-M41 PolarHBondContact O-N 3.5Å; F39-S42 PolarHBondContact O-N 3.35Å; F39-C43 VanDerWaalsContact CE1-SG 3.59Å; F39-C43 VanDerWaalsContact CZ-SG 3.56Å; F39-C43 WeakPolarHBondContact O-CB 3.49Å; F39-C43 PolarHBondContact O-N 2.8Å; F39-C43 PolarHBondContact O-SG 3.21Å; F39-C43 VanDerWaalsContact O-SG 3.35Å |
| 40 | D | 98.8 | Very high | 98.8 | Very high | 68 Ų | 68 | 97.3 Ų | 97.3 | 36% | 0.364 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -57.7 | -49.1 | 174.6 | 179.5 | 65.7 | 0 | 0 | 0 | 110.9 | L36 N37 S42 C43 R44 | L36-D40 WeakPolarHBondContact O-CB 3.48Å; L36-D40 PolarHBondContact O-N 2.95Å; N37-D40 PolarHBondContact O-N 3.45Å; D40-S42 VanDerWaalsContact C-N 3.35Å; D40-S42 PolarHBondContact O-N 3.23Å; D40-C43 PolarHBondContact O-N 3.45Å; D40-R44 WeakPolarHBondContact O-CB 3.49Å; D40-R44 WeakPolarHBondContact O-CG 3.38Å; D40-R44 PolarHBondContact O-N 3.44Å; D40-R44 IonicContact OD1-NE 3.45Å; D40-R44 PolarHBondContact OD1-NE 2.98Å; D40-R44 WeakPolarHBondContact OD2-CD 3.37Å; D40-R44 IonicContact OD2-CZ 3.69Å; D40-R44 IonicContact OD2-NE 2.8Å; D40-R44 PolarHBondContact OD2-NE 3.39Å; D40-R44 IonicContact OD2-NH2 3.75Å |
| 41 | M | 98.6 | Very high | 98.8 | Very high | 129 Ų | 129 | 95.4 Ų | 95.4 | 64% | 0.635 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.7 | -42.4 | 178.4 | -70.2 | -61.5 | -166.9 | 0 | 0 | 112.6 | N37 F39 R44 S45 | N37-M41 WeakPolarHBondContact O-CG 3.43Å; N37-M41 PolarHBondContact O-N 3.32Å; N37-M41 VanDerWaalsContact O-N 3.15Å; F39-M41 PolarHBondContact O-N 3.5Å; M41-R44 PolarHBondContact O-N 3.15Å; M41-S45 WeakPolarHBondContact O-CB 3.49Å; M41-S45 PolarHBondContact O-N 3.28Å |
| 42 | S | 98.7 | Very high | 98.8 | Very high | 60 Ų | 60 | 95.1 Ų | 95.1 | 42% | 0.42 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.5 | -45.4 | 175.9 | -175.9 | 0 | 0 | 0 | 0 | 111.9 | S38 F39 D40 S45 R46 | S38-S42 WeakPolarHBondContact O-CB 3.45Å; S38-S42 PolarHBondContact O-N 3.48Å; F39-S42 PolarHBondContact O-N 3.35Å; D40-S42 VanDerWaalsContact C-N 3.35Å; D40-S42 PolarHBondContact O-N 3.23Å; S42-S45 PolarHBondContact O-N 2.9Å; S42-R46 WeakPolarHBondContact O-CB 3.36Å; S42-R46 VanDerWaalsContact O-CG 3.29Å; S42-R46 WeakPolarHBondContact O-CG 3.4Å; S42-R46 PolarHBondContact O-N 2.85Å |
| 43 | C | 98.8 | Very high | 98.8 | Very high | 38 Ų | 38 | 96.5 Ų | 96.5 | 26% | 0.257 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.9 | -47.3 | 176 | -73.1 | 0 | 0 | 0 | 0 | 111.8 | F39 D40 S45 R46 L47 | F39-C43 VanDerWaalsContact CE1-SG 3.59Å; F39-C43 VanDerWaalsContact CZ-SG 3.56Å; F39-C43 WeakPolarHBondContact O-CB 3.49Å; F39-C43 PolarHBondContact O-N 2.8Å; F39-C43 PolarHBondContact O-SG 3.21Å; F39-C43 VanDerWaalsContact O-SG 3.35Å; D40-C43 PolarHBondContact O-N 3.45Å; C43-S45 PolarHBondContact O-N 3.28Å; C43-R46 PolarHBondContact O-N 2.99Å; C43-L47 WeakPolarHBondContact O-CB 3.36Å; C43-L47 VanDerWaalsContact O-CG 3.3Å; C43-L47 WeakPolarHBondContact O-CG 3.38Å; C43-L47 PolarHBondContact O-N 3.26Å |
| 44 | R | 98.8 | Very high | 98.8 | Very high | 162 Ų | 162 | 98.9 Ų | 98.9 | 61% | 0.611 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -56.8 | -47.2 | 176.7 | -75.1 | 178.6 | -177 | -103.3 | -2.2 | 112 | D40 M41 L47 A48 | D40-R44 WeakPolarHBondContact O-CB 3.49Å; D40-R44 WeakPolarHBondContact O-CG 3.38Å; D40-R44 PolarHBondContact O-N 3.44Å; D40-R44 IonicContact OD1-NE 3.45Å; D40-R44 PolarHBondContact OD1-NE 2.98Å; D40-R44 WeakPolarHBondContact OD2-CD 3.37Å; D40-R44 IonicContact OD2-CZ 3.69Å; D40-R44 IonicContact OD2-NE 2.8Å; D40-R44 PolarHBondContact OD2-NE 3.39Å; D40-R44 IonicContact OD2-NH2 3.75Å; M41-R44 PolarHBondContact O-N 3.15Å; R44-L47 PolarHBondContact O-N 2.97Å; R44-A48 WeakPolarHBondContact O-CB 3.48Å; R44-A48 PolarHBondContact O-N 2.86Å |
| 45 | S | 98.8 | Very high | 98.8 | Very high | 77 Ų | 77 | 96.6 Ų | 96.6 | 54% | 0.538 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.2 | -47 | 178.1 | 176.2 | 0 | 0 | 0 | 0 | 111.8 | M41 S42 C43 L47 A48 T49 | M41-S45 WeakPolarHBondContact O-CB 3.49Å; M41-S45 PolarHBondContact O-N 3.28Å; S42-S45 PolarHBondContact O-N 2.9Å; C43-S45 PolarHBondContact O-N 3.28Å; S45-L47 PolarHBondContact O-N 3.49Å; S45-A48 WeakPolarHBondContact O-CB 3.46Å; S45-A48 PolarHBondContact O-N 3.02Å; S45-T49 PolarHBondContact O-N 3.43Å; S45-T49 PolarHBondContact O-OG1 3.39Å |
| 46 | R | 98.8 | Very high | 98.8 | Very high | 173 Ų | 173 | 93.3 Ų | 93.3 | 65% | 0.653 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.7 | -41 | 179.1 | -70.2 | 172.7 | 66.4 | -178.6 | 1.2 | 112.5 | S42 C43 T49 L50 | S42-R46 WeakPolarHBondContact O-CB 3.36Å; S42-R46 VanDerWaalsContact O-CG 3.29Å; S42-R46 WeakPolarHBondContact O-CG 3.4Å; S42-R46 PolarHBondContact O-N 2.85Å; C43-R46 PolarHBondContact O-N 2.99Å; R46-T49 PolarHBondContact O-N 3.45Å; R46-L50 WeakPolarHBondContact O-CG 3.46Å; R46-L50 PolarHBondContact O-N 2.91Å |
| 47 | L | 98.9 | Very high | 98.8 | Very high | 115 Ų | 115 | 93.4 Ų | 93.4 | 60% | 0.602 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.8 | -40.4 | 175.7 | -73.4 | 173 | 0 | 0 | 0 | 111.4 | C43 R44 S45 L50 N51 | C43-L47 WeakPolarHBondContact O-CB 3.36Å; C43-L47 VanDerWaalsContact O-CG 3.3Å; C43-L47 WeakPolarHBondContact O-CG 3.38Å; C43-L47 PolarHBondContact O-N 3.26Å; R44-L47 PolarHBondContact O-N 2.97Å; S45-L47 PolarHBondContact O-N 3.49Å; L47-L50 PolarHBondContact O-N 3.43Å; L47-N51 WeakPolarHBondContact O-CB 3.3Å; L47-N51 PolarHBondContact O-N 3.41Å |
| 48 | A | 98.8 | Very high | 98.8 | Very high | 47 Ų | 47 | 92.7 Ų | 92.7 | 39% | 0.388 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60 | -46.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | R44 S45 L50 N51 E52 | R44-A48 WeakPolarHBondContact O-CB 3.48Å; R44-A48 PolarHBondContact O-N 2.86Å; S45-A48 WeakPolarHBondContact O-CB 3.46Å; S45-A48 PolarHBondContact O-N 3.02Å; A48-L50 VanDerWaalsContact C-N 3.34Å; A48-L50 PolarHBondContact O-N 2.86Å; A48-N51 WeakPolarHBondContact O-CB 3.39Å; A48-N51 PolarHBondContact O-N 3.24Å; A48-E52 WeakPolarHBondContact O-CG 3.36Å; A48-E52 PolarHBondContact O-N 3Å |
| 49 | T | 98.8 | Very high | 98.8 | Very high | 58 Ų | 58 | 97.4 Ų | 97.4 | 36% | 0.356 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.5 | -40.1 | 175.3 | -57.9 | 0 | 0 | 0 | 0 | 112.7 | S45 R46 K53 | S45-T49 PolarHBondContact O-N 3.43Å; S45-T49 PolarHBondContact O-OG1 3.39Å; R46-T49 PolarHBondContact O-N 3.45Å; T49-K53 HydrophobicContact CG2-CD 4.46Å; T49-K53 WeakPolarHBondContact O-CG 3.45Å; T49-K53 PolarHBondContact O-N 3.3Å; T49-K53 VanDerWaalsContact O-N 3.1Å |
| 50 | L | 98.9 | Very high | 98.7 | Very high | 109 Ų | 109 | 100.2 Ų | 100.2 | 57% | 0.571 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.3 | -41.3 | 175.8 | -74 | 173.7 | 0 | 0 | 0 | 111.4 | R46 L47 A48 K53 L54 | R46-L50 WeakPolarHBondContact O-CG 3.46Å; R46-L50 PolarHBondContact O-N 2.91Å; L47-L50 PolarHBondContact O-N 3.43Å; A48-L50 VanDerWaalsContact C-N 3.34Å; A48-L50 PolarHBondContact O-N 2.86Å; L50-K53 PolarHBondContact O-N 3.1Å; L50-L54 WeakPolarHBondContact O-CB 3.36Å; L50-L54 PolarHBondContact O-N 3.2Å |
| 51 | N | 98.8 | Very high | 98.7 | Very high | 100 Ų | 100 | 101.3 Ų | 101.3 | 54% | 0.535 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62 | -44.7 | 176.6 | -171.6 | 77.1 | 0 | 0 | 0 | 111.7 | L47 A48 K53 L54 T55 | L47-N51 WeakPolarHBondContact O-CB 3.3Å; L47-N51 PolarHBondContact O-N 3.41Å; A48-N51 WeakPolarHBondContact O-CB 3.39Å; A48-N51 PolarHBondContact O-N 3.24Å; N51-K53 VanDerWaalsContact C-N 3.34Å; N51-K53 PolarHBondContact O-N 2.92Å; N51-L54 PolarHBondContact O-N 3.24Å; N51-T55 PolarHBondContact O-N 2.9Å; N51-T55 PolarHBondContact O-OG1 3.38Å |
| 52 | E | 98.9 | Very high | 98.7 | Very high | 131 Ų | 131 | 100.9 Ų | 100.9 | 61% | 0.612 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59 | -43.9 | 174.9 | -73.2 | 170.2 | -175.1 | 0 | 0 | 112.3 | A48 T55 A56 | A48-E52 WeakPolarHBondContact O-CG 3.36Å; A48-E52 PolarHBondContact O-N 3Å; E52-T55 PolarHBondContact O-N 3.42Å; E52-A56 WeakPolarHBondContact O-CB 3.33Å; E52-A56 PolarHBondContact O-N 3.28Å |
| 53 | K | 98.8 | Very high | 98.6 | Very high | 131 Ų | 131 | 104.8 Ų | 104.8 | 57% | 0.57 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.2 | -41.6 | 176.5 | -73.5 | 176.3 | -179.7 | -179 | 0 | 111.9 | T49 L50 N51 A56 L57 | T49-K53 HydrophobicContact CG2-CD 4.46Å; T49-K53 WeakPolarHBondContact O-CG 3.45Å; T49-K53 PolarHBondContact O-N 3.3Å; T49-K53 VanDerWaalsContact O-N 3.1Å; L50-K53 PolarHBondContact O-N 3.1Å; N51-K53 VanDerWaalsContact C-N 3.34Å; N51-K53 PolarHBondContact O-N 2.92Å; K53-A56 PolarHBondContact O-N 3.15Å; K53-L57 WeakPolarHBondContact O-CG 3.4Å; K53-L57 PolarHBondContact O-N 2.91Å |
| 54 | L | 98.9 | Very high | 98.4 | Very high | 90 Ų | 90 | 107.4 Ų | 107.4 | 47% | 0.471 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.4 | -51.3 | 176.6 | -179.5 | 61.8 | 0 | 0 | 0 | 110.5 | L50 N51 A56 L57 E58 | L50-L54 WeakPolarHBondContact O-CB 3.36Å; L50-L54 PolarHBondContact O-N 3.2Å; N51-L54 PolarHBondContact O-N 3.24Å; L54-A56 VanDerWaalsContact C-N 3.28Å; L54-A56 PolarHBondContact O-N 3.48Å; L54-L57 WeakPolarHBondContact O-CA 3.4Å; L54-L57 WeakPolarHBondContact O-CB 3.48Å; L54-L57 PolarHBondContact O-N 3.1Å; L54-E58 HydrophobicContact CD1-CG 4.42Å; L54-E58 HydrophobicContact CG-CG 4.46Å; L54-E58 WeakPolarHBondContact O-CG 3.37Å; L54-E58 PolarHBondContact O-N 3.43Å |
| 55 | T | 98.7 | Very high | 98.3 | Very high | 40 Ų | 40 | 105.3 Ų | 105.3 | 25% | 0.245 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -59.2 | -37.5 | 176.8 | -59.5 | 0 | 0 | 0 | 0 | 112.7 | N51 E52 E58 R59 | N51-T55 PolarHBondContact O-N 2.9Å; N51-T55 PolarHBondContact O-OG1 3.38Å; E52-T55 PolarHBondContact O-N 3.42Å; T55-E58 WeakPolarHBondContact CA-OE2 3.38Å; T55-R59 WeakPolarHBondContact O-CG 3.46Å; T55-R59 PolarHBondContact O-N 2.94Å; T55-R59 VanDerWaalsContact O-N 3.13Å |
| 56 | A | 98.8 | Very high | 98.2 | Very high | 51 Ų | 51 | 103.8 Ų | 103.8 | 42% | 0.421 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66 | -38.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E52 K53 L54 R60 | E52-A56 WeakPolarHBondContact O-CB 3.33Å; E52-A56 PolarHBondContact O-N 3.28Å; K53-A56 PolarHBondContact O-N 3.15Å; L54-A56 VanDerWaalsContact C-N 3.28Å; L54-A56 PolarHBondContact O-N 3.48Å; A56-R60 WeakPolarHBondContact O-CG 3.36Å; A56-R60 PolarHBondContact O-N 2.94Å |
| 57 | L | 98.8 | Very high | 98 | Very high | 98 Ų | 98 | 99.7 Ų | 99.7 | 51% | 0.513 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -69.2 | -44.1 | 175.9 | -72.9 | 171.3 | 0 | 0 | 0 | 111.8 | K53 L54 R59 R60 I61 | K53-L57 WeakPolarHBondContact O-CG 3.4Å; K53-L57 PolarHBondContact O-N 2.91Å; L54-L57 WeakPolarHBondContact O-CA 3.4Å; L54-L57 WeakPolarHBondContact O-CB 3.48Å; L54-L57 PolarHBondContact O-N 3.1Å; L57-R59 PolarHBondContact O-N 2.86Å; L57-R60 PolarHBondContact O-N 3.11Å; L57-R60 VanDerWaalsContact O-N 3.11Å; L57-I61 WeakPolarHBondContact O-CG1 3.25Å; L57-I61 PolarHBondContact O-N 3.05Å |
| 58 | E | 98.7 | Very high | 97.8 | Very high | 90 Ų | 90 | 98.1 Ų | 98.1 | 42% | 0.421 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -54.2 | -50.5 | 175.8 | -71.8 | 169.2 | 155.8 | 0 | 0 | 110.9 | L54 T55 R60 I61 E62 | L54-E58 HydrophobicContact CD1-CG 4.42Å; L54-E58 HydrophobicContact CG-CG 4.46Å; L54-E58 WeakPolarHBondContact O-CG 3.37Å; L54-E58 PolarHBondContact O-N 3.43Å; T55-E58 WeakPolarHBondContact CA-OE2 3.38Å; E58-R60 VanDerWaalsContact C-N 3.3Å; E58-R60 PolarHBondContact O-N 3.13Å; E58-I61 WeakPolarHBondContact O-CB 3.41Å; E58-I61 PolarHBondContact O-N 2.98Å; E58-I61 VanDerWaalsContact O-N 3.1Å; E58-E62 WeakPolarHBondContact O-CG 3.49Å; E58-E62 PolarHBondContact O-N 3.01Å |
| 59 | R | 98.5 | Very high | 97.6 | Very high | 169 Ų | 169 | 101.7 Ų | 101.7 | 64% | 0.638 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.6 | -36.3 | 177 | -70.9 | 176 | -175.8 | 170.1 | 3.3 | 113.6 | T55 L57 Y63 | T55-R59 WeakPolarHBondContact O-CG 3.46Å; T55-R59 PolarHBondContact O-N 2.94Å; T55-R59 VanDerWaalsContact O-N 3.13Å; L57-R59 PolarHBondContact O-N 2.86Å; R59-Y63 WeakPolarHBondContact O-CB 3.43Å; R59-Y63 PolarHBondContact O-N 3.23Å; R59-Y63 VanDerWaalsContact O-N 3.07Å |
| 60 | R | 98.2 | Very high | 97.3 | Very high | 169 Ų | 169 | 106 Ų | 106 | 64% | 0.638 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -69 | -38.2 | 176.9 | -74.6 | 178.3 | 72.1 | 177.3 | 3.1 | 111.2 | A56 L57 E58 I64 | A56-R60 WeakPolarHBondContact O-CG 3.36Å; A56-R60 PolarHBondContact O-N 2.94Å; L57-R60 PolarHBondContact O-N 3.11Å; L57-R60 VanDerWaalsContact O-N 3.11Å; E58-R60 VanDerWaalsContact C-N 3.3Å; E58-R60 PolarHBondContact O-N 3.13Å; R60-I64 WeakPolarHBondContact O-CD1 3.4Å; R60-I64 VanDerWaalsContact O-CG1 3.25Å; R60-I64 WeakPolarHBondContact O-CG1 3.32Å; R60-I64 PolarHBondContact O-N 3.16Å |
| 61 | I | 98 | Very high | 96.9 | Very high | 91 Ų | 91 | 103 Ų | 103 | 47% | 0.467 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.4 | -51.9 | 175 | -70 | 167.8 | 0 | 0 | 0 | 109.5 | L57 E58 Y63 I64 E65 | L57-I61 WeakPolarHBondContact O-CG1 3.25Å; L57-I61 PolarHBondContact O-N 3.05Å; E58-I61 WeakPolarHBondContact O-CB 3.41Å; E58-I61 PolarHBondContact O-N 2.98Å; E58-I61 VanDerWaalsContact O-N 3.1Å; I61-Y63 VanDerWaalsContact C-N 3.26Å; I61-Y63 PolarHBondContact O-N 3.29Å; I61-I64 PolarHBondContact O-N 3.39Å; I61-E65 HydrophobicContact CG2-CG 4.1Å; I61-E65 WeakPolarHBondContact O-CG 3.39Å; I61-E65 PolarHBondContact O-N 3.15Å |
| 62 | E | 98 | Very high | 96.3 | Very high | 120 Ų | 120 | 103 Ų | 103 | 56% | 0.561 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -53.2 | -44.2 | 177.5 | -71.2 | 170.6 | -175.1 | 0 | 0 | 112.1 | E58 E65 A66 | E58-E62 WeakPolarHBondContact O-CG 3.49Å; E58-E62 PolarHBondContact O-N 3.01Å; E62-E65 PolarHBondContact O-N 2.99Å; E62-A66 WeakPolarHBondContact O-CB 3.45Å; E62-A66 PolarHBondContact O-N 3.07Å |
| 63 | Y | 96.7 | Very high | 95.1 | Very high | 142 Ų | 142 | 99.4 Ų | 99.4 | 56% | 0.557 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.3 | -44 | 176.1 | 173.9 | -101.5 | 0 | 0 | 0 | 112.6 | R59 I61 A66 R67 | R59-Y63 WeakPolarHBondContact O-CB 3.43Å; R59-Y63 PolarHBondContact O-N 3.23Å; R59-Y63 VanDerWaalsContact O-N 3.07Å; I61-Y63 VanDerWaalsContact C-N 3.26Å; I61-Y63 PolarHBondContact O-N 3.29Å; Y63-A66 PolarHBondContact O-N 2.92Å; Y63-R67 VanDerWaalsContact CE1-CD 3.43Å; Y63-R67 HydrophobicContact CE1-CG 4.27Å; Y63-R67 HydrophobicContact CE2-CG 4.28Å; Y63-R67 WeakPolarHBondContact O-CG 3.32Å; Y63-R67 PolarHBondContact O-N 2.89Å; Y63-R67 WeakPolarHBondContact OH-CD 3.45Å |
| 64 | I | 95.8 | Very high | 93.7 | Very high | 93 Ų | 93 | 100.7 Ų | 100.7 | 48% | 0.477 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.7 | -45.8 | 178.3 | -69.9 | 166 | 0 | 0 | 0 | 110.2 | R60 I61 A66 R67 V68 | R60-I64 WeakPolarHBondContact O-CD1 3.4Å; R60-I64 VanDerWaalsContact O-CG1 3.25Å; R60-I64 WeakPolarHBondContact O-CG1 3.32Å; R60-I64 PolarHBondContact O-N 3.16Å; I61-I64 PolarHBondContact O-N 3.39Å; I64-A66 VanDerWaalsContact C-N 3.3Å; I64-A66 PolarHBondContact O-N 3.48Å; I64-R67 PolarHBondContact O-N 2.82Å; I64-R67 VanDerWaalsContact O-N 3.16Å; I64-V68 HydrophobicContact CG2-CG2 4.24Å; I64-V68 VanDerWaalsContact O-CG2 3.32Å; I64-V68 WeakPolarHBondContact O-CG2 3.35Å; I64-V68 PolarHBondContact O-N 2.94Å |
| 65 | E | 96 | Very high | 91.9 | Very high | 117 Ų | 117 | 106.2 Ų | 106.2 | 55% | 0.547 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -57.8 | -43.5 | 176.8 | -71.5 | 177.9 | 152.7 | 0 | 0 | 111.4 | I61 E62 V68 T69 | I61-E65 HydrophobicContact CG2-CG 4.1Å; I61-E65 WeakPolarHBondContact O-CG 3.39Å; I61-E65 PolarHBondContact O-N 3.15Å; E62-E65 PolarHBondContact O-N 2.99Å; E65-V68 PolarHBondContact O-N 3.46Å; E65-T69 WeakPolarHBondContact O-CB 3.35Å; E65-T69 PolarHBondContact O-N 3.4Å; E65-T69 PolarHBondContact O-OG1 3.05Å |
| 66 | A | 95.7 | Very high | 91.6 | Very high | 46 Ų | 46 | 109.6 Ų | 109.6 | 38% | 0.38 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.3 | -43.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | E62 Y63 I64 T69 K70 | E62-A66 WeakPolarHBondContact O-CB 3.45Å; E62-A66 PolarHBondContact O-N 3.07Å; Y63-A66 PolarHBondContact O-N 2.92Å; I64-A66 VanDerWaalsContact C-N 3.3Å; I64-A66 PolarHBondContact O-N 3.48Å; A66-T69 PolarHBondContact O-N 3Å; A66-K70 VanDerWaalsContact O-CG 3.32Å; A66-K70 WeakPolarHBondContact O-CG 3.43Å; A66-K70 PolarHBondContact O-N 3Å |
| 67 | R | 94.8 | Very high | 91.2 | Very high | 87 Ų | 87 | 112.6 Ų | 112.6 | 33% | 0.328 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66.5 | -41.9 | 177.7 | -75.4 | -169 | 60.6 | -161.4 | -5 | 112.9 | Y63 I64 T69 K70 G71 E72 T73 | Y63-R67 VanDerWaalsContact CE1-CD 3.43Å; Y63-R67 HydrophobicContact CE1-CG 4.27Å; Y63-R67 HydrophobicContact CE2-CG 4.28Å; Y63-R67 WeakPolarHBondContact O-CG 3.32Å; Y63-R67 PolarHBondContact O-N 2.89Å; Y63-R67 WeakPolarHBondContact OH-CD 3.45Å; I64-R67 PolarHBondContact O-N 2.82Å; I64-R67 VanDerWaalsContact O-N 3.16Å; R67-T69 VanDerWaalsContact C-N 3.35Å; R67-K70 PolarHBondContact O-N 3.2Å; R67-G71 PolarHBondContact O-N 3.33Å; R67-E72 HydrophobicContact CB-CB 4.47Å; R67-E72 PolarHBondContact NH2-O 3.44Å; R67-E72 PolarHBondContact O-N 3.45Å; R67-T73 HydrophobicContact CB-CG2 3.8Å |
| 68 | V | 95.4 | Very high | 90.8 | Very high | 81 Ų | 81 | 113.4 Ų | 113.4 | 49% | 0.491 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63 | -44.5 | 176.1 | 171.8 | 0 | 0 | 0 | 0 | 110 | I64 E65 K70 G71 T73 | I64-V68 HydrophobicContact CG2-CG2 4.24Å; I64-V68 VanDerWaalsContact O-CG2 3.32Å; I64-V68 WeakPolarHBondContact O-CG2 3.35Å; I64-V68 PolarHBondContact O-N 2.94Å; E65-V68 PolarHBondContact O-N 3.46Å; V68-K70 VanDerWaalsContact C-N 3.27Å; V68-K70 PolarHBondContact O-N 3.49Å; V68-G71 PolarHBondContact O-N 3.31Å; V68-T73 HydrophobicContact CG2-CG2 3.98Å |
| 69 | T | 94.4 | Very high | 90.3 | Very high | 123 Ų | 123 | 114.8 Ų | 114.8 | 76% | 0.755 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -61.3 | -35 | 177.3 | -57.1 | 0 | 0 | 0 | 0 | 112.4 | E65 A66 R67 G71 | E65-T69 WeakPolarHBondContact O-CB 3.35Å; E65-T69 PolarHBondContact O-N 3.4Å; E65-T69 PolarHBondContact O-OG1 3.05Å; A66-T69 PolarHBondContact O-N 3Å; R67-T69 VanDerWaalsContact C-N 3.35Å; T69-G71 VanDerWaalsContact C-N 3.29Å; T69-G71 PolarHBondContact O-N 3.06Å |
| 70 | K | 93.2 | Very high | 89.8 | Confident | 148 Ų | 148 | 111.4 Ų | 111.4 | 64% | 0.643 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -6 | 175.3 | -69.3 | 177.7 | -177.4 | -178.7 | 0 | 114.3 | A66 R67 V68 E72 | A66-K70 VanDerWaalsContact O-CG 3.32Å; A66-K70 WeakPolarHBondContact O-CG 3.43Å; A66-K70 PolarHBondContact O-N 3Å; R67-K70 PolarHBondContact O-N 3.2Å; V68-K70 VanDerWaalsContact C-N 3.27Å; V68-K70 PolarHBondContact O-N 3.49Å; K70-E72 HydrophobicContact CB-CG 3.77Å; K70-E72 VanDerWaalsContact CD-OE1 3.32Å; K70-E72 WeakPolarHBondContact CD-OE1 3.32Å; K70-E72 PolarHBondContact O-N 2.91Å |
| 71 | G | 89 | Confident | 89.2 | Confident | 45 Ų | 45 | 107.6 Ų | 107.6 | 46% | 0.464 | 57% | 0.572 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 72.6 | 11.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | R67 V68 T69 T73 | R67-G71 PolarHBondContact O-N 3.33Å; V68-G71 PolarHBondContact O-N 3.31Å; T69-G71 VanDerWaalsContact C-N 3.29Å; T69-G71 PolarHBondContact O-N 3.06Å; G71-T73 PolarHBondContact O-N 2.75Å; G71-T73 VanDerWaalsContact O-N 3.15Å |
| 72 | E | 86.8 | Confident | 88.6 | Confident | 100 Ų | 100 | 108.8 Ų | 108.8 | 47% | 0.467 | 58% | 0.579 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.3 | 6.3 | -176.3 | -64.6 | 171.8 | 169.6 | 0 | 0 | 113.6 | R67 K70 | R67-E72 HydrophobicContact CB-CB 4.47Å; R67-E72 PolarHBondContact NH2-O 3.44Å; R67-E72 PolarHBondContact O-N 3.45Å; K70-E72 HydrophobicContact CB-CG 3.77Å; K70-E72 VanDerWaalsContact CD-OE1 3.32Å; K70-E72 WeakPolarHBondContact CD-OE1 3.32Å; K70-E72 PolarHBondContact O-N 2.91Å |
| 73 | T | 74.9 | Confident | 87.9 | Confident | 57 Ų | 57 | 107.9 Ų | 107.9 | 35% | 0.35 | 58% | 0.581 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -113.8 | -10 | -177 | 57 | 0 | 0 | 0 | 0 | 114.1 | R67 V68 G71 | R67-T73 HydrophobicContact CB-CG2 3.8Å; V68-T73 HydrophobicContact CG2-CG2 3.98Å; G71-T73 PolarHBondContact O-N 2.75Å; G71-T73 VanDerWaalsContact O-N 3.15Å |
| 74 | L | 69 | Low | 87.2 | Confident | 157 Ų | 157 | 105.1 Ų | 105.1 | 82% | 0.822 | 58% | 0.583 | S | S | * | * | trans | -105.7 | 78.2 | 178.7 | -65.6 | 171 | 0 | 0 | 0 | 109.5 | ||||
| 75 | T | 61.1 | Low | 86.4 | Confident | 207 Ų | 207 | 106.2 Ų | 106.2 | 100% | 1.27 | 59% | 0.592 | S | S | * | * | trans | -109.3 | 0 | 158.5 | 55 | 0 | 0 | 0 | 0 | 108.9 |
Retrieved 75 of 75 residues in 624.7 ms
(Link to these results)