| 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 | 64.6 | Low | 89.9 | Confident | 243 Ų | 243 | 118.5 Ų | 118.5 | 100% | 1.197 | 61% | 0.608 | S | S | * | * | 0 | 125.1 | 0 | -59.1 | -163.2 | -154.8 | 0 | 0 | 108.4 | |||||
| 2 | S | 82.8 | Confident | 90.5 | Very high | 116 Ų | 116 | 113.8 Ų | 113.8 | 81% | 0.811 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 136.5 | 171.3 | 43.1 | 0 | 0 | 0 | 0 | 109 | T4 | S2-T4 PolarHBondContact O-N 2.68Š|
| 3 | R | 82.5 | Confident | 91 | Very high | 155 Ų | 155 | 113.9 Ų | 113.9 | 59% | 0.585 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 137.9 | 173.7 | -67.7 | 178.6 | -176.1 | -173.8 | -8 | 109.7 | Q7 K8 D11 | R3-Q7 VanDerWaalsContact CA-OE1 3.27Å; R3-Q7 HydrophobicContact CB-CB 4.23Å; R3-K8 HydrophobicContact CB-CG 4.05Å; R3-D11 IonicContact CZ-OD2 3.39Å; R3-D11 IonicContact NH1-OD2 2.65Å; R3-D11 PolarHBondContact NH1-OD2 3.1Å |
| 4 | T | 93.4 | Very high | 91.5 | Very high | 66 Ų | 66 | 108.4 Ų | 108.4 | 41% | 0.405 | 58% | 0.575 | S | S | . | * | P | Polyproline II helix | trans | -64.5 | 157.9 | 172.1 | 70.3 | 0 | 0 | 0 | 0 | 109.8 | S2 E6 Q7 K8 | S2-T4 PolarHBondContact O-N 2.68Å; T4-E6 PolarHBondContact O-N 3.49Å; T4-Q7 VanDerWaalsContact N-OE1 3.09Å; T4-Q7 PolarHBondContact O-N 3.46Å; T4-Q7 WeakPolarHBondContact OG1-CG 3.41Å; T4-Q7 PolarHBondContact OG1-N 3.06Å; T4-Q7 VanDerWaalsContact OG1-N 3.1Å; T4-K8 WeakPolarHBondContact O-CG 3.46Å; T4-K8 PolarHBondContact O-N 2.91Å; T4-K8 VanDerWaalsContact O-N 3.08Å |
| 5 | L | 93.3 | Very high | 91.9 | Very high | 131 Ų | 131 | 111.2 Ų | 111.2 | 69% | 0.686 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -56.5 | -40.3 | 173.7 | -179.3 | 61.1 | 0 | 0 | 0 | 111 | Q7 K8 I9 | L5-Q7 PolarHBondContact O-N 3.33Å; L5-K8 WeakPolarHBondContact O-CB 3.29Å; L5-K8 PolarHBondContact O-N 3.33Å; L5-K8 VanDerWaalsContact O-N 3.17Å; L5-I9 HydrophobicContact CD1-CD1 4.44Å; L5-I9 HydrophobicContact CG-CD1 4.05Å; L5-I9 WeakPolarHBondContact O-CG1 3.37Å; L5-I9 PolarHBondContact O-N 2.95Å |
| 6 | E | 93.7 | Very high | 92.3 | Very high | 152 Ų | 152 | 109.9 Ų | 109.9 | 71% | 0.71 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -59.1 | -45.6 | 175.8 | -62.4 | 175.8 | 159.7 | 0 | 0 | 112.3 | T4 K8 I9 A10 | T4-E6 PolarHBondContact O-N 3.49Å; E6-K8 VanDerWaalsContact C-N 3.31Å; E6-K8 PolarHBondContact O-N 3.32Å; E6-I9 PolarHBondContact O-N 3.01Å; E6-A10 PolarHBondContact O-N 3.45Å |
| 7 | Q | 94.9 | Very high | 92.6 | Very high | 101 Ų | 101 | 111.5 Ų | 111.5 | 47% | 0.472 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -61.7 | -39.1 | 175.7 | -74.6 | 172 | -15.1 | 0 | 0 | 111.9 | R3 T4 L5 A10 D11 | R3-Q7 VanDerWaalsContact CA-OE1 3.27Å; R3-Q7 HydrophobicContact CB-CB 4.23Å; T4-Q7 VanDerWaalsContact N-OE1 3.09Å; T4-Q7 PolarHBondContact O-N 3.46Å; T4-Q7 WeakPolarHBondContact OG1-CG 3.41Å; T4-Q7 PolarHBondContact OG1-N 3.06Å; T4-Q7 VanDerWaalsContact OG1-N 3.1Å; L5-Q7 PolarHBondContact O-N 3.33Å; Q7-A10 PolarHBondContact O-N 3.49Å; Q7-D11 WeakPolarHBondContact O-CB 3.44Å; Q7-D11 PolarHBondContact O-N 3.36Å |
| 8 | K | 95.4 | Very high | 92.9 | Very high | 123 Ų | 123 | 115.1 Ų | 115.1 | 54% | 0.535 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -66.3 | -39 | 176.2 | -66.1 | -179.5 | -174 | -179.8 | 0 | 111.9 | R3 T4 L5 E6 A12 | R3-K8 HydrophobicContact CB-CG 4.05Å; T4-K8 WeakPolarHBondContact O-CG 3.46Å; T4-K8 PolarHBondContact O-N 2.91Å; T4-K8 VanDerWaalsContact O-N 3.08Å; L5-K8 WeakPolarHBondContact O-CB 3.29Å; L5-K8 PolarHBondContact O-N 3.33Å; L5-K8 VanDerWaalsContact O-N 3.17Å; E6-K8 VanDerWaalsContact C-N 3.31Å; E6-K8 PolarHBondContact O-N 3.32Å; K8-A12 WeakPolarHBondContact O-CB 3.04Å; K8-A12 PolarHBondContact O-N 2.92Å; K8-A12 VanDerWaalsContact O-N 3.07Å |
| 9 | I | 96.1 | Very high | 93.2 | Very high | 84 Ų | 84 | 113.4 Ų | 113.4 | 43% | 0.431 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64.2 | -49.4 | 175.2 | -68.7 | 167.2 | 0 | 0 | 0 | 109.9 | L5 E6 D11 A12 E13 | L5-I9 HydrophobicContact CD1-CD1 4.44Å; L5-I9 HydrophobicContact CG-CD1 4.05Å; L5-I9 WeakPolarHBondContact O-CG1 3.37Å; L5-I9 PolarHBondContact O-N 2.95Å; E6-I9 PolarHBondContact O-N 3.01Å; I9-D11 VanDerWaalsContact C-N 3.33Å; I9-D11 PolarHBondContact O-N 3.47Å; I9-A12 PolarHBondContact O-N 3.43Å; I9-A12 VanDerWaalsContact O-N 3.1Å; I9-E13 HydrophobicContact CG2-CG 4.32Å; I9-E13 WeakPolarHBondContact O-CG 3.29Å; I9-E13 PolarHBondContact O-N 3.28Å |
| 10 | A | 95.5 | Very high | 93.4 | Very high | 53 Ų | 53 | 113.5 Ų | 113.5 | 44% | 0.438 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -58.7 | -42.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E6 Q7 E13 A14 | E6-A10 PolarHBondContact O-N 3.45Å; Q7-A10 PolarHBondContact O-N 3.49Å; A10-E13 PolarHBondContact O-N 3.32Å; A10-A14 WeakPolarHBondContact O-CB 3.39Å; A10-A14 PolarHBondContact O-N 3.38Å |
| 11 | D | 96.3 | Very high | 93.6 | Very high | 79 Ų | 79 | 111 Ų | 111 | 42% | 0.422 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.5 | -42.4 | 175.5 | -81.8 | -14.3 | 0 | 0 | 0 | 112.1 | R3 Q7 I9 R15 | R3-D11 IonicContact CZ-OD2 3.39Å; R3-D11 IonicContact NH1-OD2 2.65Å; R3-D11 PolarHBondContact NH1-OD2 3.1Å; Q7-D11 WeakPolarHBondContact O-CB 3.44Å; Q7-D11 PolarHBondContact O-N 3.36Å; I9-D11 VanDerWaalsContact C-N 3.33Å; I9-D11 PolarHBondContact O-N 3.47Å; D11-R15 WeakPolarHBondContact O-CB 3.49Å; D11-R15 PolarHBondContact O-N 3.49Å |
| 12 | A | 97.2 | Very high | 95.2 | Very high | 63 Ų | 63 | 106 Ų | 106 | 52% | 0.521 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.6 | -42.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | K8 I9 R15 L16 | K8-A12 WeakPolarHBondContact O-CB 3.04Å; K8-A12 PolarHBondContact O-N 2.92Å; K8-A12 VanDerWaalsContact O-N 3.07Å; I9-A12 PolarHBondContact O-N 3.43Å; I9-A12 VanDerWaalsContact O-N 3.1Å; A12-R15 PolarHBondContact O-N 3.28Å; A12-L16 WeakPolarHBondContact O-CB 3.45Å; A12-L16 PolarHBondContact O-N 3.45Å |
| 13 | E | 97.8 | Very high | 95.9 | Very high | 115 Ų | 115 | 104.1 Ų | 104.1 | 54% | 0.537 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.2 | -45.8 | 175.3 | -72.3 | -179.1 | 167 | 0 | 0 | 111.6 | I9 A10 R15 L16 Q17 | I9-E13 HydrophobicContact CG2-CG 4.32Å; I9-E13 WeakPolarHBondContact O-CG 3.29Å; I9-E13 PolarHBondContact O-N 3.28Å; A10-E13 PolarHBondContact O-N 3.32Å; E13-R15 VanDerWaalsContact C-N 3.31Å; E13-R15 PolarHBondContact O-N 2.9Å; E13-L16 PolarHBondContact O-N 3.19Å; E13-Q17 WeakPolarHBondContact O-CG 3.27Å; E13-Q17 PolarHBondContact O-N 3.36Å |
| 14 | A | 97.5 | Very high | 96.6 | Very high | 36 Ų | 36 | 105.6 Ų | 105.6 | 30% | 0.298 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61 | -40.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A10 Q17 R18 | A10-A14 WeakPolarHBondContact O-CB 3.39Å; A10-A14 PolarHBondContact O-N 3.38Å; A14-Q17 PolarHBondContact O-N 3.15Å; A14-R18 WeakPolarHBondContact O-CG 3.5Å; A14-R18 PolarHBondContact O-N 3.44Å; A14-R18 VanDerWaalsContact O-N 3.1Å |
| 15 | R | 97.7 | Very high | 96.7 | Very high | 151 Ų | 151 | 106.2 Ų | 106.2 | 57% | 0.57 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.7 | -43.4 | 175.2 | -178.2 | 57.6 | 175.8 | 178.9 | -1.4 | 111.5 | D11 A12 E13 R18 L19 | D11-R15 WeakPolarHBondContact O-CB 3.49Å; D11-R15 PolarHBondContact O-N 3.49Å; A12-R15 PolarHBondContact O-N 3.28Å; E13-R15 VanDerWaalsContact C-N 3.31Å; E13-R15 PolarHBondContact O-N 2.9Å; R15-R18 PolarHBondContact O-N 3.16Å; R15-L19 HydrophobicContact CG-CD1 4.24Å; R15-L19 WeakPolarHBondContact O-CG 3.34Å; R15-L19 PolarHBondContact O-N 3.09Å |
| 16 | L | 98.1 | Very high | 96.9 | Very high | 90 Ų | 90 | 104.4 Ų | 104.4 | 47% | 0.471 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.6 | -43.9 | 177.5 | 179.4 | 60.5 | 0 | 0 | 0 | 111.4 | A12 E13 R18 L19 K20 | A12-L16 WeakPolarHBondContact O-CB 3.45Å; A12-L16 PolarHBondContact O-N 3.45Å; E13-L16 PolarHBondContact O-N 3.19Å; L16-R18 PolarHBondContact O-N 3.41Å; L16-L19 PolarHBondContact O-N 2.86Å; L16-K20 HydrophobicContact CD1-CD 4.48Å; L16-K20 HydrophobicContact CD1-CG 4.37Å; L16-K20 HydrophobicContact CG-CD 4.3Å; L16-K20 WeakPolarHBondContact O-CG 3.49Å; L16-K20 PolarHBondContact O-N 3.46Å |
| 17 | Q | 98 | Very high | 97.1 | Very high | 138 Ų | 138 | 100.3 Ų | 100.3 | 65% | 0.645 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.4 | -43.7 | 176.4 | -73.1 | 179.7 | -3.9 | 0 | 0 | 111.8 | E13 A14 L19 K20 A21 | E13-Q17 WeakPolarHBondContact O-CG 3.27Å; E13-Q17 PolarHBondContact O-N 3.36Å; A14-Q17 PolarHBondContact O-N 3.15Å; Q17-L19 PolarHBondContact O-N 3Å; Q17-K20 PolarHBondContact O-N 2.93Å; Q17-A21 WeakPolarHBondContact O-CB 3.48Å; Q17-A21 PolarHBondContact O-N 2.95Å |
| 18 | R | 97.8 | Very high | 97.3 | Very high | 175 Ų | 175 | 99.4 Ų | 99.4 | 66% | 0.66 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.9 | -42.3 | 175.5 | -70.3 | 174.4 | -171.5 | 176.8 | 5.2 | 112.4 | A14 R15 L16 A21 K22 | A14-R18 WeakPolarHBondContact O-CG 3.5Å; A14-R18 PolarHBondContact O-N 3.44Å; A14-R18 VanDerWaalsContact O-N 3.1Å; R15-R18 PolarHBondContact O-N 3.16Å; L16-R18 PolarHBondContact O-N 3.41Å; R18-A21 PolarHBondContact O-N 3.32Å; R18-K22 WeakPolarHBondContact O-CB 3.27Å; R18-K22 PolarHBondContact O-N 3.27Å |
| 19 | L | 98.3 | Very high | 97.4 | Very high | 84 Ų | 84 | 95.6 Ų | 95.6 | 44% | 0.44 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66 | -41.7 | 177.4 | -70.7 | 173.1 | 0 | 0 | 0 | 111.8 | R15 L16 Q17 K22 S23 | R15-L19 HydrophobicContact CG-CD1 4.24Å; R15-L19 WeakPolarHBondContact O-CG 3.34Å; R15-L19 PolarHBondContact O-N 3.09Å; L16-L19 PolarHBondContact O-N 2.86Å; Q17-L19 PolarHBondContact O-N 3Å; L19-K22 PolarHBondContact O-N 2.94Å; L19-S23 WeakPolarHBondContact O-CB 3.39Å; L19-S23 PolarHBondContact O-N 3.24Å |
| 20 | K | 97.9 | Very high | 97.5 | Very high | 115 Ų | 115 | 97.6 Ų | 97.6 | 50% | 0.5 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.2 | -44.3 | 173.9 | -74.5 | 179 | 177.1 | 179.2 | 0 | 111.7 | L16 Q17 S23 R24 | L16-K20 HydrophobicContact CD1-CD 4.48Å; L16-K20 HydrophobicContact CD1-CG 4.37Å; L16-K20 HydrophobicContact CG-CD 4.3Å; L16-K20 WeakPolarHBondContact O-CG 3.49Å; L16-K20 PolarHBondContact O-N 3.46Å; Q17-K20 PolarHBondContact O-N 2.93Å; K20-S23 PolarHBondContact O-N 3.23Å; K20-R24 WeakPolarHBondContact O-CG 3.28Å; K20-R24 PolarHBondContact O-N 3.29Å |
| 21 | A | 97.5 | Very high | 97.6 | Very high | 60 Ų | 60 | 101.2 Ų | 101.2 | 50% | 0.496 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q17 R18 R24 S25 | Q17-A21 WeakPolarHBondContact O-CB 3.48Å; Q17-A21 PolarHBondContact O-N 2.95Å; R18-A21 PolarHBondContact O-N 3.32Å; A21-R24 PolarHBondContact O-N 3.41Å; A21-S25 WeakPolarHBondContact O-CB 3.46Å; A21-S25 PolarHBondContact O-N 2.94Å |
| 22 | K | 97.1 | Very high | 97.7 | Very high | 139 Ų | 139 | 102 Ų | 102 | 60% | 0.604 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.8 | -43.7 | 175.2 | -174.2 | 174 | -178.8 | 178.4 | 0 | 111.9 | R18 L19 S25 L26 | R18-K22 WeakPolarHBondContact O-CB 3.27Å; R18-K22 PolarHBondContact O-N 3.27Å; L19-K22 PolarHBondContact O-N 2.94Å; K22-S25 PolarHBondContact O-N 2.95Å; K22-L26 HydrophobicContact CG-CD1 4.25Å; K22-L26 WeakPolarHBondContact O-CG 3.45Å; K22-L26 PolarHBondContact O-N 3.2Å |
| 23 | S | 97 | Very high | 97.8 | Very high | 77 Ų | 77 | 104.5 Ų | 104.5 | 54% | 0.538 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.8 | -45.7 | 177 | 171.7 | 0 | 0 | 0 | 0 | 111.9 | L19 K20 S25 L26 D27 | L19-S23 WeakPolarHBondContact O-CB 3.39Å; L19-S23 PolarHBondContact O-N 3.24Å; K20-S23 PolarHBondContact O-N 3.23Å; S23-S25 PolarHBondContact O-N 3.41Å; S23-L26 PolarHBondContact O-N 3Å; S23-D27 PolarHBondContact O-N 3.08Å |
| 24 | R | 97.2 | Very high | 97.8 | Very high | 185 Ų | 185 | 104 Ų | 104 | 70% | 0.698 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63 | -39.3 | 175.8 | -70.4 | 176.4 | -177.7 | -176.6 | -1.2 | 112.9 | K20 A21 T28 | K20-R24 WeakPolarHBondContact O-CG 3.28Å; K20-R24 PolarHBondContact O-N 3.29Å; A21-R24 PolarHBondContact O-N 3.41Å; R24-T28 WeakPolarHBondContact O-CB 3.45Å; R24-T28 PolarHBondContact O-N 3.04Å; R24-T28 PolarHBondContact O-OG1 2.87Å |
| 25 | S | 97.4 | Very high | 97.8 | Very high | 79 Ų | 79 | 103.8 Ų | 103.8 | 55% | 0.552 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.7 | -44 | 176.5 | 176.6 | 0 | 0 | 0 | 0 | 111.7 | A21 K22 S23 T28 A29 | A21-S25 WeakPolarHBondContact O-CB 3.46Å; A21-S25 PolarHBondContact O-N 2.94Å; K22-S25 PolarHBondContact O-N 2.95Å; S23-S25 PolarHBondContact O-N 3.41Å; S25-T28 PolarHBondContact O-N 3.41Å; S25-A29 WeakPolarHBondContact O-CB 3.43Å; S25-A29 PolarHBondContact O-N 3.45Å |
| 26 | L | 97.5 | Very high | 97.8 | Very high | 94 Ų | 94 | 99.1 Ų | 99.1 | 49% | 0.492 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.9 | -45.1 | 176.2 | -71.6 | 171.7 | 0 | 0 | 0 | 112.3 | K22 S23 T28 A29 Q30 | K22-L26 HydrophobicContact CG-CD1 4.25Å; K22-L26 WeakPolarHBondContact O-CG 3.45Å; K22-L26 PolarHBondContact O-N 3.2Å; S23-L26 PolarHBondContact O-N 3Å; L26-T28 VanDerWaalsContact C-N 3.33Å; L26-T28 PolarHBondContact O-N 3.38Å; L26-A29 PolarHBondContact O-N 3.29Å; L26-Q30 VanDerWaalsContact O-CG 3.31Å; L26-Q30 WeakPolarHBondContact O-CG 3.3Å; L26-Q30 PolarHBondContact O-N 3.26Å |
| 27 | D | 97.9 | Very high | 97.9 | Very high | 65 Ų | 65 | 97.8 Ų | 97.8 | 35% | 0.348 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.6 | -43.4 | 175.6 | 171.2 | 74.4 | 0 | 0 | 0 | 111.7 | S23 Q30 K31 | S23-D27 PolarHBondContact O-N 3.08Å; D27-Q30 PolarHBondContact O-N 3Å; D27-K31 VanDerWaalsContact CG-NZ 3.29Å; D27-K31 WeakPolarHBondContact O-CG 3.42Å; D27-K31 PolarHBondContact O-N 3.32Å; D27-K31 VanDerWaalsContact O-N 3.1Å; D27-K31 WeakPolarHBondContact OD1-CE 3.48Å; D27-K31 IonicContact OD1-NZ 2.73Å; D27-K31 PolarHBondContact OD1-NZ 3Å; D27-K31 VanDerWaalsContact OD1-NZ 3.12Å; D27-K31 WeakPolarHBondContact OD2-CE 3.48Å; D27-K31 IonicContact OD2-NZ 3.91Å; D27-K31 PolarHBondContact OD2-NZ 3.42Å |
| 28 | T | 98.1 | Very high | 97.9 | Very high | 82 Ų | 82 | 94 Ų | 94 | 50% | 0.503 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.1 | -47.4 | 175.4 | -56.8 | 0 | 0 | 0 | 0 | 111.2 | R24 S25 L26 Q30 K31 V32 | R24-T28 WeakPolarHBondContact O-CB 3.45Å; R24-T28 PolarHBondContact O-N 3.04Å; R24-T28 PolarHBondContact O-OG1 2.87Å; S25-T28 PolarHBondContact O-N 3.41Å; L26-T28 VanDerWaalsContact C-N 3.33Å; L26-T28 PolarHBondContact O-N 3.38Å; T28-Q30 VanDerWaalsContact C-N 3.33Å; T28-Q30 PolarHBondContact O-N 2.92Å; T28-K31 PolarHBondContact O-N 2.92Å; T28-V32 HydrophobicContact CG2-CG2 4.43Å; T28-V32 WeakPolarHBondContact O-CG2 3.47Å; T28-V32 PolarHBondContact O-N 3.39Å |
| 29 | A | 97.8 | Very high | 97.9 | Very high | 44 Ų | 44 | 87.7 Ų | 87.7 | 36% | 0.364 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.5 | -42.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S25 L26 V32 I33 | S25-A29 WeakPolarHBondContact O-CB 3.43Å; S25-A29 PolarHBondContact O-N 3.45Å; L26-A29 PolarHBondContact O-N 3.29Å; A29-V32 PolarHBondContact O-N 2.98Å; A29-I33 VanDerWaalsContact O-CG1 3.25Å; A29-I33 WeakPolarHBondContact O-CG1 3.45Å; A29-I33 PolarHBondContact O-N 3.03Å |
| 30 | Q | 98.3 | Very high | 97.9 | Very high | 125 Ų | 125 | 86.4 Ų | 86.4 | 58% | 0.584 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60.3 | -46.7 | 176.5 | -74.7 | 173.9 | -11.4 | 0 | 0 | 111.8 | L26 D27 T28 V32 I33 V34 | L26-Q30 VanDerWaalsContact O-CG 3.31Å; L26-Q30 WeakPolarHBondContact O-CG 3.3Å; L26-Q30 PolarHBondContact O-N 3.26Å; D27-Q30 PolarHBondContact O-N 3Å; T28-Q30 VanDerWaalsContact C-N 3.33Å; T28-Q30 PolarHBondContact O-N 2.92Å; Q30-V32 VanDerWaalsContact C-N 3.35Å; Q30-V32 PolarHBondContact O-N 2.86Å; Q30-I33 PolarHBondContact O-N 3.04Å; Q30-V34 WeakPolarHBondContact O-CG2 3.38Å; Q30-V34 PolarHBondContact O-N 3.2Å; Q30-V34 VanDerWaalsContact O-N 3.08Å |
| 31 | K | 98.2 | Very high | 97.9 | Very high | 130 Ų | 130 | 84.9 Ų | 84.9 | 57% | 0.565 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.8 | -41.9 | 177.1 | -71.1 | 167.4 | -179.8 | 166.1 | 0 | 112.1 | D27 T28 V34 G35 | D27-K31 VanDerWaalsContact CG-NZ 3.29Å; D27-K31 WeakPolarHBondContact O-CG 3.42Å; D27-K31 PolarHBondContact O-N 3.32Å; D27-K31 VanDerWaalsContact O-N 3.1Å; D27-K31 WeakPolarHBondContact OD1-CE 3.48Å; D27-K31 IonicContact OD1-NZ 2.73Å; D27-K31 PolarHBondContact OD1-NZ 3Å; D27-K31 VanDerWaalsContact OD1-NZ 3.12Å; D27-K31 WeakPolarHBondContact OD2-CE 3.48Å; D27-K31 IonicContact OD2-NZ 3.91Å; D27-K31 PolarHBondContact OD2-NZ 3.42Å; T28-K31 PolarHBondContact O-N 2.92Å; K31-V34 PolarHBondContact O-N 3.2Å; K31-G35 PolarHBondContact O-N 3.02Å |
| 32 | V | 98.1 | Very high | 97.9 | Very high | 94 Ų | 94 | 82 Ų | 82 | 57% | 0.57 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -63.2 | -44.2 | 176.7 | 170.1 | 0 | 0 | 0 | 0 | 111.3 | T28 A29 Q30 G35 A36 | T28-V32 HydrophobicContact CG2-CG2 4.43Å; T28-V32 WeakPolarHBondContact O-CG2 3.47Å; T28-V32 PolarHBondContact O-N 3.39Å; A29-V32 PolarHBondContact O-N 2.98Å; Q30-V32 VanDerWaalsContact C-N 3.35Å; Q30-V32 PolarHBondContact O-N 2.86Å; V32-G35 PolarHBondContact O-N 3.07Å; V32-A36 VanDerWaalsContact O-CB 3.27Å; V32-A36 WeakPolarHBondContact O-CB 3.47Å; V32-A36 PolarHBondContact O-N 3.04Å |
| 33 | I | 98.4 | Very high | 97.9 | Very high | 117 Ų | 117 | 80 Ų | 80 | 60% | 0.6 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -60.9 | -47.6 | 178.8 | -70.3 | 164.4 | 0 | 0 | 0 | 110.8 | A29 Q30 A36 A37 | A29-I33 VanDerWaalsContact O-CG1 3.25Å; A29-I33 WeakPolarHBondContact O-CG1 3.45Å; A29-I33 PolarHBondContact O-N 3.03Å; Q30-I33 PolarHBondContact O-N 3.04Å; I33-A36 PolarHBondContact O-N 2.55Å; I33-A37 WeakPolarHBondContact O-CB 3.3Å; I33-A37 PolarHBondContact O-N 3.2Å |
| 34 | V | 98.5 | Very high | 97.9 | Very high | 104 Ų | 104 | 80.8 Ų | 80.8 | 63% | 0.63 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -63.3 | -45.7 | 179 | 174.9 | 0 | 0 | 0 | 0 | 110.9 | Q30 K31 A36 A37 L38 | Q30-V34 WeakPolarHBondContact O-CG2 3.38Å; Q30-V34 PolarHBondContact O-N 3.2Å; Q30-V34 VanDerWaalsContact O-N 3.08Å; K31-V34 PolarHBondContact O-N 3.2Å; V34-A36 PolarHBondContact O-N 3.19Å; V34-A37 PolarHBondContact O-N 3.42Å; V34-L38 PolarHBondContact O-N 3.12Å |
| 35 | G | 97.5 | Very high | 97.8 | Very high | 31 Ų | 31 | 74.4 Ų | 74.4 | 32% | 0.32 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.1 | -43.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | K31 V32 A37 L38 L39 | K31-G35 PolarHBondContact O-N 3.02Å; V32-G35 PolarHBondContact O-N 3.07Å; G35-A37 PolarHBondContact O-N 2.94Å; G35-L38 PolarHBondContact O-N 2.73Å; G35-L39 WeakPolarHBondContact O-CB 3.37Å; G35-L39 VanDerWaalsContact O-CG 3.31Å; G35-L39 WeakPolarHBondContact O-CG 3.22Å; G35-L39 PolarHBondContact O-N 2.69Å |
| 36 | A | 98.3 | Very high | 97.7 | Very high | 53 Ų | 53 | 75.8 Ų | 75.8 | 44% | 0.438 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.1 | -40.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V32 I33 V34 L39 A40 | V32-A36 VanDerWaalsContact O-CB 3.27Å; V32-A36 WeakPolarHBondContact O-CB 3.47Å; V32-A36 PolarHBondContact O-N 3.04Å; I33-A36 PolarHBondContact O-N 2.55Å; V34-A36 PolarHBondContact O-N 3.19Å; A36-L39 PolarHBondContact O-N 3.41Å; A36-A40 WeakPolarHBondContact O-CB 3.47Å; A36-A40 PolarHBondContact O-N 3.42Å |
| 37 | A | 98.5 | Very high | 97.7 | Very high | 62 Ų | 62 | 73.3 Ų | 73.3 | 51% | 0.512 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.8 | -43.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I33 V34 G35 A40 K41 | I33-A37 WeakPolarHBondContact O-CB 3.3Å; I33-A37 PolarHBondContact O-N 3.2Å; V34-A37 PolarHBondContact O-N 3.42Å; G35-A37 PolarHBondContact O-N 2.94Å; A37-A40 PolarHBondContact O-N 3.39Å; A37-K41 PolarHBondContact O-N 2.93Å |
| 38 | L | 98.2 | Very high | 97.6 | Very high | 59 Ų | 59 | 71.9 Ų | 71.9 | 31% | 0.309 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.7 | -46.7 | 175.2 | 179.6 | 60.3 | 0 | 0 | 0 | 111.3 | V34 G35 A40 K41 V42 L50 L54 | V34-L38 PolarHBondContact O-N 3.12Å; G35-L38 PolarHBondContact O-N 2.73Å; L38-A40 VanDerWaalsContact C-N 3.33Å; L38-A40 PolarHBondContact O-N 3.42Å; L38-K41 WeakPolarHBondContact O-CB 3.48Å; L38-K41 PolarHBondContact O-N 2.89Å; L38-K41 VanDerWaalsContact O-N 3.07Å; L38-V42 HydrophobicContact CD1-CG1 4.09Å; L38-V42 WeakPolarHBondContact O-CG2 3.43Å; L38-V42 PolarHBondContact O-N 2.93Å; L38-L50 HydrophobicContact CD1-CD2 4.15Å; L38-L54 HydrophobicContact CD2-CD1 4.03Å; L38-L54 HydrophobicContact CD2-CD2 4.4Å; L38-L54 HydrophobicContact CG-CD2 4.41Å |
| 39 | L | 98.1 | Very high | 97.5 | Very high | 43 Ų | 43 | 76.3 Ų | 76.3 | 23% | 0.225 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -59.1 | -43 | 177.1 | -73.5 | 173.9 | 0 | 0 | 0 | 111.9 | G35 A36 K41 V42 R43 L54 L78 | G35-L39 WeakPolarHBondContact O-CB 3.37Å; G35-L39 VanDerWaalsContact O-CG 3.31Å; G35-L39 WeakPolarHBondContact O-CG 3.22Å; G35-L39 PolarHBondContact O-N 2.69Å; A36-L39 PolarHBondContact O-N 3.41Å; L39-K41 VanDerWaalsContact C-N 3.27Å; L39-K41 PolarHBondContact O-N 2.91Å; L39-V42 WeakPolarHBondContact O-CG2 3.34Å; L39-R43 WeakPolarHBondContact O-CB 3.38Å; L39-R43 WeakPolarHBondContact O-CD 3.29Å; L39-R43 WeakPolarHBondContact O-CG 3.05Å; L39-R43 PolarHBondContact O-N 3.02Å; L39-L54 HydrophobicContact CD2-CD2 4.42Å; L39-L78 HydrophobicContact CD2-CD1 4.33Å |
| 40 | A | 98.1 | Very high | 97.5 | Very high | 57 Ų | 57 | 76.8 Ų | 76.8 | 47% | 0.471 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.4 | -34.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A36 A37 L38 | A36-A40 WeakPolarHBondContact O-CB 3.47Å; A36-A40 PolarHBondContact O-N 3.42Å; A37-A40 PolarHBondContact O-N 3.39Å; L38-A40 VanDerWaalsContact C-N 3.33Å; L38-A40 PolarHBondContact O-N 3.42Å |
| 41 | K | 97.7 | Very high | 97.5 | Very high | 82 Ų | 82 | 71.3 Ų | 71.3 | 36% | 0.357 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -71.1 | -52.5 | 177.2 | -176.8 | 61.4 | 171.4 | 162 | 0 | 111.6 | A37 L38 L39 R43 K44 E47 L50 | A37-K41 PolarHBondContact O-N 2.93Å; L38-K41 WeakPolarHBondContact O-CB 3.48Å; L38-K41 PolarHBondContact O-N 2.89Å; L38-K41 VanDerWaalsContact O-N 3.07Å; L39-K41 VanDerWaalsContact C-N 3.27Å; L39-K41 PolarHBondContact O-N 2.91Å; K41-R43 PolarHBondContact O-N 3.5Å; K41-K44 HydrophobicContact CD-CD 4.44Å; K41-K44 VanDerWaalsContact O-CB 3.31Å; K41-K44 WeakPolarHBondContact O-CB 3.45Å; K41-K44 WeakPolarHBondContact O-CG 3.31Å; K41-K44 PolarHBondContact O-N 3.48Å; K41-E47 HydrophobicContact CD-CG 3.96Å; K41-E47 WeakPolarHBondContact CE-OE1 3.47Å; K41-E47 WeakPolarHBondContact CE-OE2 3.31Å; K41-E47 HydrophobicContact CG-CG 4.23Å; K41-E47 VanDerWaalsContact NZ-CD 3.26Å; K41-E47 IonicContact NZ-OE1 2.93Å; K41-E47 PolarHBondContact NZ-OE1 2.93Å; K41-E47 IonicContact NZ-OE2 3.9Å; K41-E47 WeakPolarHBondContact O-CG 3.45Å; K41-L50 HydrophobicContact CG-CD2 3.77Å |
| 42 | V | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -66.2 | -20.7 | -176.7 | -62.3 | 0 | 0 | 0 | 0 | 114 | L38 L39 K44 L50 R51 L54 L78 | L38-V42 HydrophobicContact CD1-CG1 4.09Å; L38-V42 WeakPolarHBondContact O-CG2 3.43Å; L38-V42 PolarHBondContact O-N 2.93Å; L39-V42 WeakPolarHBondContact O-CG2 3.34Å; V42-K44 PolarHBondContact O-N 3.36Å; V42-L50 HydrophobicContact CG1-CB 4.34Å; V42-L50 HydrophobicContact CG1-CD2 3.83Å; V42-L50 HydrophobicContact CG1-CG 3.71Å; V42-R51 HydrophobicContact CB-CB 4.06Å; V42-R51 HydrophobicContact CB-CG 4.46Å; V42-R51 WeakPolarHBondContact O-CD 3.27Å; V42-R51 PolarHBondContact O-NH1 3.1Å; V42-L54 HydrophobicContact CB-CD2 4.45Å; V42-L54 HydrophobicContact CG1-CB 4.49Å; V42-L54 HydrophobicContact CG1-CD2 3.99Å; V42-L54 HydrophobicContact CG2-CD2 3.89Å; V42-L78 HydrophobicContact CG2-CD1 4.33Å; V42-L78 HydrophobicContact CG2-CD2 3.83Å |
| 43 | R | 97.4 | Very high | 97.5 | Very high | 96 Ų | 96 | 69.6 Ų | 69.6 | 36% | 0.362 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -16.1 | 173.6 | -78.4 | 172.6 | 172.2 | 138.8 | 0.1 | 113.7 | L39 K41 E77 L78 L81 | L39-R43 WeakPolarHBondContact O-CB 3.38Å; L39-R43 WeakPolarHBondContact O-CD 3.29Å; L39-R43 WeakPolarHBondContact O-CG 3.05Å; L39-R43 PolarHBondContact O-N 3.02Å; K41-R43 PolarHBondContact O-N 3.5Å; R43-E77 IonicContact CZ-OE1 2.69Å; R43-E77 IonicContact CZ-OE2 2.69Å; R43-E77 IonicContact NE-OE1 3.12Å; R43-E77 PolarHBondContact NE-OE1 3.07Å; R43-E77 VanDerWaalsContact NH2-CD 3.33Å; R43-E77 IonicContact NH2-OE1 2.55Å; R43-E77 PolarHBondContact NH2-OE1 3.31Å; R43-E77 IonicContact NH2-OE2 3.21Å; R43-E77 PolarHBondContact NH2-OE2 2.93Å; R43-L78 HydrophobicContact CG-CD2 4.02Å; R43-L81 HydrophobicContact CB-CD1 4.32Å; R43-L81 HydrophobicContact CG-CD1 4.16Å |
| 44 | K | 96.5 | Very high | 97.5 | Very high | 95 Ų | 95 | 64.5 Ų | 64.5 | 41% | 0.413 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -70.2 | 136.7 | 178.2 | -61.9 | -169.3 | 177.5 | -169.1 | 0 | 109.8 | K41 V42 E46 E47 R51 | K41-K44 HydrophobicContact CD-CD 4.44Å; K41-K44 VanDerWaalsContact O-CB 3.31Å; K41-K44 WeakPolarHBondContact O-CB 3.45Å; K41-K44 WeakPolarHBondContact O-CG 3.31Å; K41-K44 PolarHBondContact O-N 3.48Å; V42-K44 PolarHBondContact O-N 3.36Å; K44-E46 WeakPolarHBondContact CB-OE2 3.49Å; K44-E46 VanDerWaalsContact CD-OE1 3.29Å; K44-E46 WeakPolarHBondContact CD-OE1 3.33Å; K44-E46 PolarHBondContact O-N 2.95Å; K44-E47 HydrophobicContact CB-CB 4.45Å; K44-E47 HydrophobicContact CB-CG 3.98Å; K44-E47 PolarHBondContact O-N 3.06Å; K44-R51 PolarHBondContact O-NH1 2.99Å |
| 45 | P | 95.1 | Very high | 97.4 | Very high | 50 Ų | 50 | 60.4 Ų | 60.4 | 33% | 0.325 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -34.7 | -174.5 | -23.6 | 33.2 | 0 | 0 | 0 | 113.5 | E47 V48 Q84 | P45-E47 PolarHBondContact O-N 3.39Å; P45-V48 VanDerWaalsContact O-CG2 3.29Å; P45-V48 WeakPolarHBondContact O-CG2 3.47Å; P45-Q84 HydrophobicContact CB-CB 4.21Å; P45-Q84 HydrophobicContact CB-CG 3.56Å |
| 46 | E | 95.7 | Very high | 97.4 | Very high | 108 Ų | 108 | 65.8 Ų | 65.8 | 51% | 0.505 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -14.8 | 178.5 | 69.6 | -84.5 | -165.7 | 0 | 0 | 114.3 | K44 V48 | K44-E46 WeakPolarHBondContact CB-OE2 3.49Å; K44-E46 VanDerWaalsContact CD-OE1 3.29Å; K44-E46 WeakPolarHBondContact CD-OE1 3.33Å; K44-E46 PolarHBondContact O-N 2.95Å; E46-V48 VanDerWaalsContact C-N 3.27Å; E46-V48 PolarHBondContact O-N 3.31Å |
| 47 | E | 96.8 | Very high | 97.4 | Very high | 42 Ų | 42 | 67.6 Ų | 67.6 | 20% | 0.196 | 34% | 0.343 | C | S | . | . | trans | -91.8 | 38.4 | -174.5 | -65.1 | -64.6 | 150.6 | 0 | 0 | 113.3 | K41 K44 P45 Q49 L50 R51 | K41-E47 HydrophobicContact CD-CG 3.96Å; K41-E47 WeakPolarHBondContact CE-OE1 3.47Å; K41-E47 WeakPolarHBondContact CE-OE2 3.31Å; K41-E47 HydrophobicContact CG-CG 4.23Å; K41-E47 VanDerWaalsContact NZ-CD 3.26Å; K41-E47 IonicContact NZ-OE1 2.93Å; K41-E47 PolarHBondContact NZ-OE1 2.93Å; K41-E47 IonicContact NZ-OE2 3.9Å; K41-E47 WeakPolarHBondContact O-CG 3.45Å; K44-E47 HydrophobicContact CB-CB 4.45Å; K44-E47 HydrophobicContact CB-CG 3.98Å; K44-E47 PolarHBondContact O-N 3.06Å; P45-E47 PolarHBondContact O-N 3.39Å; E47-Q49 PolarHBondContact O-N 3.46Å; E47-L50 PolarHBondContact O-N 2.96Å; E47-R51 VanDerWaalsContact O-CB 3.28Å; E47-R51 WeakPolarHBondContact O-CB 3.34Å; E47-R51 PolarHBondContact O-N 3.48Å | ||
| 48 | V | 96.7 | Very high | 97.4 | Very high | 35 Ų | 35 | 66.5 Ų | 66.5 | 21% | 0.212 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -57.5 | -48.2 | -176.9 | -175.3 | 0 | 0 | 0 | 0 | 111.8 | P45 E46 R51 A52 E83 | P45-V48 VanDerWaalsContact O-CG2 3.29Å; P45-V48 WeakPolarHBondContact O-CG2 3.47Å; E46-V48 VanDerWaalsContact C-N 3.27Å; E46-V48 PolarHBondContact O-N 3.31Å; V48-R51 PolarHBondContact O-N 2.85Å; V48-A52 WeakPolarHBondContact O-CB 3.39Å; V48-A52 PolarHBondContact O-N 3.32Å; V48-E83 HydrophobicContact CG1-CG 3.96Å; V48-E83 HydrophobicContact CG2-CB 4.18Å; V48-E83 HydrophobicContact CG2-CG 4.31Å |
| 49 | Q | 96.7 | Very high | 97.3 | Very high | 176 Ų | 176 | 69.7 Ų | 69.7 | 82% | 0.822 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -65.8 | -42.8 | -177.6 | -65.6 | -178.2 | 13.2 | 0 | 0 | 112.3 | E47 R51 A52 W53 | E47-Q49 PolarHBondContact O-N 3.46Å; Q49-R51 VanDerWaalsContact C-N 3.34Å; Q49-A52 PolarHBondContact O-N 3.4Å; Q49-W53 WeakPolarHBondContact O-CB 3.38Å; Q49-W53 PolarHBondContact O-N 3.12Å |
| 50 | L | 97.5 | Very high | 97.2 | Very high | 53 Ų | 53 | 70.5 Ų | 70.5 | 28% | 0.277 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -67 | -38.7 | 178.5 | -174.9 | 65.5 | 0 | 0 | 0 | 111.2 | L38 K41 V42 E47 W53 L54 | L38-L50 HydrophobicContact CD1-CD2 4.15Å; K41-L50 HydrophobicContact CG-CD2 3.77Å; V42-L50 HydrophobicContact CG1-CB 4.34Å; V42-L50 HydrophobicContact CG1-CD2 3.83Å; V42-L50 HydrophobicContact CG1-CG 3.71Å; E47-L50 PolarHBondContact O-N 2.96Å; L50-W53 HydrophobicContact CD1-CE3 4.04Å; L50-W53 PolarHBondContact O-N 2.84Å; L50-L54 WeakPolarHBondContact O-CB 3.46Å; L50-L54 PolarHBondContact O-N 2.97Å |
| 51 | R | 97.8 | Very high | 97.2 | Very high | 10 Ų | 10 | 73.9 Ų | 73.9 | 4% | 0.038 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.2 | -45.9 | 174.7 | -177.7 | 167.3 | 61.9 | -106.9 | 5.2 | 111.8 | V42 K44 E47 V48 Q49 L54 L55 L78 P82 | V42-R51 HydrophobicContact CB-CB 4.06Å; V42-R51 HydrophobicContact CB-CG 4.46Å; V42-R51 WeakPolarHBondContact O-CD 3.27Å; V42-R51 PolarHBondContact O-NH1 3.1Å; K44-R51 PolarHBondContact O-NH1 2.99Å; E47-R51 VanDerWaalsContact O-CB 3.28Å; E47-R51 WeakPolarHBondContact O-CB 3.34Å; E47-R51 PolarHBondContact O-N 3.48Å; V48-R51 PolarHBondContact O-N 2.85Å; Q49-R51 VanDerWaalsContact C-N 3.34Å; R51-L54 PolarHBondContact O-N 3.27Å; R51-L55 HydrophobicContact CG-CD1 4.27Å; R51-L55 WeakPolarHBondContact O-CG 3.43Å; R51-L55 PolarHBondContact O-N 3.27Å; R51-L78 WeakPolarHBondContact CD-O 3.46Å; R51-L78 HydrophobicContact CG-CB 4.32Å; R51-P82 PolarHBondContact NH2-O 3.47Å |
| 52 | A | 97.4 | Very high | 97.2 | Very high | 55 Ų | 55 | 71.7 Ų | 71.7 | 46% | 0.455 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.8 | -45.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V48 Q49 L54 L55 Q56 | V48-A52 WeakPolarHBondContact O-CB 3.39Å; V48-A52 PolarHBondContact O-N 3.32Å; Q49-A52 PolarHBondContact O-N 3.4Å; A52-L54 PolarHBondContact O-N 3.08Å; A52-L55 PolarHBondContact O-N 2.69Å; A52-Q56 PolarHBondContact O-N 3.37Å |
| 53 | W | 98.2 | Very high | 97.1 | Very high | 134 Ų | 134 | 77.2 Ų | 77.2 | 51% | 0.508 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -58.1 | -46.8 | 174.4 | 171.9 | 82.9 | 0 | 0 | 0 | 111.9 | Q49 L50 L55 Q56 F57 | Q49-W53 WeakPolarHBondContact O-CB 3.38Å; Q49-W53 PolarHBondContact O-N 3.12Å; L50-W53 HydrophobicContact CD1-CE3 4.04Å; L50-W53 PolarHBondContact O-N 2.84Å; W53-L55 PolarHBondContact O-N 3.42Å; W53-Q56 PolarHBondContact O-N 3.46Å; W53-F57 HydrophobicContact CZ2-CD2 4.32Å; W53-F57 HydrophobicContact CZ2-CG 4.44Å; W53-F57 VanDerWaalsContact O-CB 3.3Å; W53-F57 WeakPolarHBondContact O-CB 3.42Å; W53-F57 PolarHBondContact O-N 2.97Å |
| 54 | L | 98.1 | Very high | 97.2 | Very high | 9 Ų | 9 | 80.7 Ų | 80.7 | 5% | 0.047 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62.3 | -43.7 | 179.5 | 177.9 | 61.7 | 0 | 0 | 0 | 111.5 | L38 L39 V42 L50 R51 A52 Q56 F57 L58 L78 | L38-L54 HydrophobicContact CD2-CD1 4.03Å; L38-L54 HydrophobicContact CD2-CD2 4.4Å; L38-L54 HydrophobicContact CG-CD2 4.41Å; L39-L54 HydrophobicContact CD2-CD2 4.42Å; V42-L54 HydrophobicContact CB-CD2 4.45Å; V42-L54 HydrophobicContact CG1-CB 4.49Å; V42-L54 HydrophobicContact CG1-CD2 3.99Å; V42-L54 HydrophobicContact CG2-CD2 3.89Å; L50-L54 WeakPolarHBondContact O-CB 3.46Å; L50-L54 PolarHBondContact O-N 2.97Å; R51-L54 PolarHBondContact O-N 3.27Å; A52-L54 PolarHBondContact O-N 3.08Å; L54-Q56 PolarHBondContact O-N 3.42Å; L54-F57 HydrophobicContact CD1-CD1 4.5Å; L54-F57 PolarHBondContact O-N 2.9Å; L54-L58 HydrophobicContact CD1-CD1 4.08Å; L54-L58 HydrophobicContact CD1-CD2 4.46Å; L54-L58 HydrophobicContact CD1-CG 3.99Å; L54-L58 HydrophobicContact CG-CD1 3.98Å; L54-L58 HydrophobicContact CG-CG 4.31Å; L54-L58 WeakPolarHBondContact O-CB 3.42Å; L54-L58 VanDerWaalsContact O-CG 3.27Å; L54-L58 WeakPolarHBondContact O-CG 3.22Å; L54-L58 PolarHBondContact O-N 3.47Å; L54-L78 HydrophobicContact CD2-CD1 4.18Å |
| 55 | L | 97.8 | Very high | 97.2 | Very high | 19 Ų | 19 | 82.4 Ų | 82.4 | 10% | 0.099 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -61.1 | -44.5 | 177.8 | -75.3 | 170 | 0 | 0 | 0 | 111.7 | R51 A52 W53 K59 I75 L78 E79 | R51-L55 HydrophobicContact CG-CD1 4.27Å; R51-L55 WeakPolarHBondContact O-CG 3.43Å; R51-L55 PolarHBondContact O-N 3.27Å; A52-L55 PolarHBondContact O-N 2.69Å; W53-L55 PolarHBondContact O-N 3.42Å; L55-K59 VanDerWaalsContact O-CG 3.29Å; L55-K59 WeakPolarHBondContact O-CG 3.45Å; L55-K59 PolarHBondContact O-N 3.32Å; L55-K59 VanDerWaalsContact O-N 3.09Å; L55-I75 HydrophobicContact CD2-CB 4.42Å; L55-I75 HydrophobicContact CD2-CG1 4.47Å; L55-I75 HydrophobicContact CD2-CG2 4Å; L55-L78 HydrophobicContact CD1-CB 4.49Å; L55-L78 HydrophobicContact CD2-CB 4.06Å; L55-L78 HydrophobicContact CD2-CD1 4.43Å; L55-L78 HydrophobicContact CG-CB 4.47Å; L55-E79 HydrophobicContact CD1-CG 3.72Å; L55-E79 HydrophobicContact CD2-CG 4Å |
| 56 | Q | 98 | Very high | 97.3 | Very high | 143 Ų | 143 | 82.2 Ų | 82.2 | 67% | 0.668 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -63.8 | -44.6 | 176 | -175.4 | 179.7 | -1.5 | 0 | 0 | 111.5 | A52 W53 L54 K59 A60 | A52-Q56 PolarHBondContact O-N 3.37Å; W53-Q56 PolarHBondContact O-N 3.46Å; L54-Q56 PolarHBondContact O-N 3.42Å; Q56-K59 PolarHBondContact O-N 2.92Å; Q56-A60 PolarHBondContact O-N 2.99Å |
| 57 | F | 98.1 | Very high | 97.4 | Very high | 92 Ų | 92 | 79.5 Ų | 79.5 | 40% | 0.404 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -59 | -48.2 | 177.3 | 175.4 | -95.4 | 0 | 0 | 0 | 111.6 | W53 L54 K59 A60 E61 | W53-F57 HydrophobicContact CZ2-CD2 4.32Å; W53-F57 HydrophobicContact CZ2-CG 4.44Å; W53-F57 VanDerWaalsContact O-CB 3.3Å; W53-F57 WeakPolarHBondContact O-CB 3.42Å; W53-F57 PolarHBondContact O-N 2.97Å; L54-F57 HydrophobicContact CD1-CD1 4.5Å; L54-F57 PolarHBondContact O-N 2.9Å; F57-K59 VanDerWaalsContact C-N 3.33Å; F57-K59 PolarHBondContact O-N 3.38Å; F57-A60 PolarHBondContact O-N 2.97Å; F57-A60 VanDerWaalsContact O-N 3.16Å; F57-E61 HydrophobicContact CD2-CG 3.92Å; F57-E61 HydrophobicContact CE1-CB 4.5Å; F57-E61 HydrophobicContact CE1-CG 4.27Å; F57-E61 HydrophobicContact CE2-CG 3.56Å; F57-E61 HydrophobicContact CG-CG 4.42Å; F57-E61 HydrophobicContact CZ-CB 4.35Å; F57-E61 HydrophobicContact CZ-CG 3.75Å; F57-E61 WeakPolarHBondContact O-CB 3.45Å; F57-E61 WeakPolarHBondContact O-CG 3.25Å; F57-E61 PolarHBondContact O-N 2.99Å |
| 58 | L | 97.6 | Very high | 97.5 | Very high | 38 Ų | 38 | 79.7 Ų | 79.7 | 20% | 0.199 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -62.1 | -40.3 | 178.8 | -70.7 | 173.4 | 0 | 0 | 0 | 112 | L54 A60 V62 I71 | L54-L58 HydrophobicContact CD1-CD1 4.08Å; L54-L58 HydrophobicContact CD1-CD2 4.46Å; L54-L58 HydrophobicContact CD1-CG 3.99Å; L54-L58 HydrophobicContact CG-CD1 3.98Å; L54-L58 HydrophobicContact CG-CG 4.31Å; L54-L58 WeakPolarHBondContact O-CB 3.42Å; L54-L58 VanDerWaalsContact O-CG 3.27Å; L54-L58 WeakPolarHBondContact O-CG 3.22Å; L54-L58 PolarHBondContact O-N 3.47Å; L58-A60 VanDerWaalsContact C-N 3.29Å; L58-A60 PolarHBondContact O-N 3.33Å; L58-V62 HydrophobicContact CD2-CG2 4.1Å; L58-V62 VanDerWaalsContact O-CB 3.27Å; L58-V62 WeakPolarHBondContact O-CB 3.31Å; L58-V62 WeakPolarHBondContact O-CG2 3.38Å; L58-V62 PolarHBondContact O-N 3.35Å; L58-I71 HydrophobicContact CB-CD1 4.36Å; L58-I71 HydrophobicContact CD2-CD1 4.29Å |
| 59 | K | 95.7 | Very high | 97.6 | Very high | 126 Ų | 126 | 82 Ų | 82 | 55% | 0.548 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.2 | -31.7 | 176.6 | -73.5 | 171.8 | -177.8 | 176.9 | 0 | 112.8 | L55 Q56 F57 E79 | L55-K59 VanDerWaalsContact O-CG 3.29Å; L55-K59 WeakPolarHBondContact O-CG 3.45Å; L55-K59 PolarHBondContact O-N 3.32Å; L55-K59 VanDerWaalsContact O-N 3.09Å; Q56-K59 PolarHBondContact O-N 2.92Å; F57-K59 VanDerWaalsContact C-N 3.33Å; F57-K59 PolarHBondContact O-N 3.38Å; K59-E79 WeakPolarHBondContact CE-OE1 3.5Å; K59-E79 IonicContact NZ-OE1 2.89Å; K59-E79 PolarHBondContact NZ-OE1 3.21Å |
| 60 | A | 97.5 | Very high | 97.6 | Very high | 61 Ų | 61 | 81.7 Ų | 81.7 | 50% | 0.504 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -80.9 | -43.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q56 F57 L58 T63 | Q56-A60 PolarHBondContact O-N 2.99Å; F57-A60 PolarHBondContact O-N 2.97Å; F57-A60 VanDerWaalsContact O-N 3.16Å; L58-A60 VanDerWaalsContact C-N 3.29Å; L58-A60 PolarHBondContact O-N 3.33Å; A60-T63 WeakPolarHBondContact O-CG2 3.4Å |
| 61 | E | 97.6 | Very high | 97.6 | Very high | 127 Ų | 127 | 81 Ų | 81 | 59% | 0.593 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -93.1 | -30 | -169.6 | -63.6 | -59.9 | 140.4 | 0 | 0 | 113.6 | F57 T63 | F57-E61 HydrophobicContact CD2-CG 3.92Å; F57-E61 HydrophobicContact CE1-CB 4.5Å; F57-E61 HydrophobicContact CE1-CG 4.27Å; F57-E61 HydrophobicContact CE2-CG 3.56Å; F57-E61 HydrophobicContact CG-CG 4.42Å; F57-E61 HydrophobicContact CZ-CB 4.35Å; F57-E61 HydrophobicContact CZ-CG 3.75Å; F57-E61 WeakPolarHBondContact O-CB 3.45Å; F57-E61 WeakPolarHBondContact O-CG 3.25Å; F57-E61 PolarHBondContact O-N 2.99Å; E61-T63 PolarHBondContact O-N 2.87Å; E61-T63 VanDerWaalsContact O-N 3.15Å |
| 62 | V | 97.6 | Very high | 97.6 | Very high | 36 Ų | 36 | 84.2 Ų | 84.2 | 22% | 0.218 | 42% | 0.424 | C | S | . | . | trans | -89 | 84.5 | 179.5 | -172.2 | 0 | 0 | 0 | 0 | 109 | L58 D67 V68 I71 | L58-V62 HydrophobicContact CD2-CG2 4.1Å; L58-V62 VanDerWaalsContact O-CB 3.27Å; L58-V62 WeakPolarHBondContact O-CB 3.31Å; L58-V62 WeakPolarHBondContact O-CG2 3.38Å; L58-V62 PolarHBondContact O-N 3.35Å; V62-D67 HydrophobicContact CG1-CB 3.6Å; V62-V68 HydrophobicContact CG1-CG2 4.18Å; V62-V68 WeakPolarHBondContact O-CG2 3.41Å; V62-I71 HydrophobicContact CB-CD1 4Å; V62-I71 HydrophobicContact CG1-CD1 3.89Å; V62-I71 HydrophobicContact CG2-CD1 3.87Å | ||
| 63 | T | 96.1 | Very high | 97.6 | Very high | 117 Ų | 117 | 85.7 Ų | 85.7 | 72% | 0.718 | 43% | 0.429 | S | S | * | . | trans | -96.5 | -23.1 | -173.5 | 55.9 | 0 | 0 | 0 | 0 | 113.9 | A60 E61 Q65 | A60-T63 WeakPolarHBondContact O-CG2 3.4Å; E61-T63 PolarHBondContact O-N 2.87Å; E61-T63 VanDerWaalsContact O-N 3.15Å; T63-Q65 PolarHBondContact O-N 2.92Å | ||
| 64 | R | 98 | Very high | 97.6 | Very high | 169 Ų | 169 | 82.7 Ų | 82.7 | 64% | 0.638 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -71 | 122.8 | 179.3 | -173 | -177.4 | -176.5 | -169.3 | 2.1 | 109.8 | A66 D67 V68 | R64-A66 HydrophobicContact CG-CB 4.48Å; R64-A66 PolarHBondContact O-N 2.94Å; R64-A66 VanDerWaalsContact O-N 3.08Å; R64-D67 HydrophobicContact CB-CB 4.4Å; R64-D67 WeakPolarHBondContact CB-OD2 3.4Å; R64-D67 WeakPolarHBondContact CD-OD2 3.37Å; R64-D67 WeakPolarHBondContact O-CA 3.47Å; R64-D67 PolarHBondContact O-N 3.27Å; R64-V68 PolarHBondContact O-N 3Å |
| 65 | Q | 97.5 | Very high | 97.5 | Very high | 131 Ų | 131 | 83 Ų | 83 | 61% | 0.612 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -50.9 | -41 | -177.3 | -172.8 | 59.3 | 55.4 | 0 | 0 | 113.9 | T63 D67 V68 T69 | T63-Q65 PolarHBondContact O-N 2.92Å; Q65-D67 VanDerWaalsContact C-N 3.28Å; Q65-D67 PolarHBondContact O-N 3.41Å; Q65-V68 PolarHBondContact O-N 3.35Å; Q65-T69 PolarHBondContact NE2-OG1 3.33Å; Q65-T69 WeakPolarHBondContact O-CB 3.46Å; Q65-T69 PolarHBondContact O-N 3.48Å; Q65-T69 PolarHBondContact O-OG1 2.9Å |
| 66 | A | 97.9 | Very high | 97.6 | Very high | 46 Ų | 46 | 86 Ų | 86 | 38% | 0.38 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63 | -35.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | R64 R70 | R64-A66 HydrophobicContact CG-CB 4.48Å; R64-A66 PolarHBondContact O-N 2.94Å; R64-A66 VanDerWaalsContact O-N 3.08Å; A66-R70 WeakPolarHBondContact O-CB 3.39Å; A66-R70 PolarHBondContact O-N 2.9Å |
| 67 | D | 98 | Very high | 97.5 | Very high | 51 Ų | 51 | 82.8 Ų | 82.8 | 27% | 0.273 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -79.7 | -39.9 | 179.5 | -60.5 | -37 | 0 | 0 | 0 | 110.4 | V62 R64 Q65 T69 R70 I71 | V62-D67 HydrophobicContact CG1-CB 3.6Å; R64-D67 HydrophobicContact CB-CB 4.4Å; R64-D67 WeakPolarHBondContact CB-OD2 3.4Å; R64-D67 WeakPolarHBondContact CD-OD2 3.37Å; R64-D67 WeakPolarHBondContact O-CA 3.47Å; R64-D67 PolarHBondContact O-N 3.27Å; Q65-D67 VanDerWaalsContact C-N 3.28Å; Q65-D67 PolarHBondContact O-N 3.41Å; D67-T69 PolarHBondContact O-N 3.47Å; D67-R70 WeakPolarHBondContact O-CB 3.33Å; D67-R70 PolarHBondContact O-N 3.1Å; D67-R70 VanDerWaalsContact O-N 3.12Å; D67-R70 IonicContact OD1-CZ 2.68Å; D67-R70 IonicContact OD1-NH1 3.87Å; D67-R70 PolarHBondContact OD1-NH1 3.35Å; D67-I71 WeakPolarHBondContact O-CG1 3.43Å; D67-I71 PolarHBondContact O-N 2.88Å |
| 68 | V | 97.8 | Very high | 97.5 | Very high | 45 Ų | 45 | 78.5 Ų | 78.5 | 27% | 0.273 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -53 | -53.4 | 170.3 | 174.9 | 0 | 0 | 0 | 0 | 110.6 | V62 R64 Q65 R70 I71 L72 | V62-V68 HydrophobicContact CG1-CG2 4.18Å; V62-V68 WeakPolarHBondContact O-CG2 3.41Å; R64-V68 PolarHBondContact O-N 3Å; Q65-V68 PolarHBondContact O-N 3.35Å; V68-R70 VanDerWaalsContact C-N 3.25Å; V68-R70 PolarHBondContact O-N 3.46Å; V68-I71 PolarHBondContact O-N 3.31Å; V68-L72 PolarHBondContact O-N 3.1Å |
| 69 | T | 98.1 | Very high | 97.5 | Very high | 84 Ų | 84 | 81.2 Ų | 81.2 | 52% | 0.515 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -59.8 | -37.3 | 179.2 | -60.5 | 0 | 0 | 0 | 0 | 111.8 | Q65 D67 | Q65-T69 PolarHBondContact NE2-OG1 3.33Å; Q65-T69 WeakPolarHBondContact O-CB 3.46Å; Q65-T69 PolarHBondContact O-N 3.48Å; Q65-T69 PolarHBondContact O-OG1 2.9Å; D67-T69 PolarHBondContact O-N 3.47Å |
| 70 | R | 98 | Very high | 97.5 | Very high | 170 Ų | 170 | 79.2 Ų | 79.2 | 64% | 0.642 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -67.7 | -38.7 | -179.7 | -173.9 | 178 | -62.7 | 111.6 | 4.3 | 112.7 | A66 D67 V68 | A66-R70 WeakPolarHBondContact O-CB 3.39Å; A66-R70 PolarHBondContact O-N 2.9Å; D67-R70 WeakPolarHBondContact O-CB 3.33Å; D67-R70 PolarHBondContact O-N 3.1Å; D67-R70 VanDerWaalsContact O-N 3.12Å; D67-R70 IonicContact OD1-CZ 2.68Å; D67-R70 IonicContact OD1-NH1 3.87Å; D67-R70 PolarHBondContact OD1-NH1 3.35Å; V68-R70 VanDerWaalsContact C-N 3.25Å; V68-R70 PolarHBondContact O-N 3.46Å |
| 71 | I | 97.2 | Very high | 97.4 | Very high | 38 Ų | 38 | 78.5 Ų | 78.5 | 20% | 0.195 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -92.8 | -9.2 | -176.3 | 69.8 | 169.7 | 0 | 0 | 0 | 113.6 | L58 V62 D67 V68 P73 L74 I75 | L58-I71 HydrophobicContact CB-CD1 4.36Å; L58-I71 HydrophobicContact CD2-CD1 4.29Å; V62-I71 HydrophobicContact CB-CD1 4Å; V62-I71 HydrophobicContact CG1-CD1 3.89Å; V62-I71 HydrophobicContact CG2-CD1 3.87Å; D67-I71 WeakPolarHBondContact O-CG1 3.43Å; D67-I71 PolarHBondContact O-N 2.88Å; V68-I71 PolarHBondContact O-N 3.31Å; I71-P73 VanDerWaalsContact C-CD 3.42Å; I71-P73 VanDerWaalsContact C-N 3.32Å; I71-L74 WeakPolarHBondContact O-CA 3.35Å; I71-L74 WeakPolarHBondContact O-CB 3.39Å; I71-L74 PolarHBondContact O-N 3.2Å; I71-I75 HydrophobicContact CD1-CD1 3.86Å; I71-I75 HydrophobicContact CD1-CG1 4.43Å; I71-I75 HydrophobicContact CG1-CD1 3.89Å; I71-I75 HydrophobicContact CG1-CG1 4.41Å; I71-I75 PolarHBondContact O-N 3.44Å |
| 72 | L | 97.6 | Very high | 97.1 | Very high | 78 Ų | 78 | 76.7 Ų | 76.7 | 41% | 0.408 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -50.9 | -41.8 | -178.9 | -176.2 | 63.8 | 0 | 0 | 0 | 113.9 | V68 L74 I75 N76 | V68-L72 PolarHBondContact O-N 3.1Å; L72-L74 VanDerWaalsContact C-N 3.28Å; L72-L74 PolarHBondContact O-N 3.41Å; L72-I75 PolarHBondContact O-N 2.92Å; L72-N76 VanDerWaalsContact O-CG 3.23Å; L72-N76 PolarHBondContact O-N 3.32Å; L72-N76 PolarHBondContact O-OD1 2.89Å |
| 73 | P | 98.1 | Very high | 96.4 | Very high | 86 Ų | 86 | 82.3 Ų | 82.3 | 56% | 0.558 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -59.9 | -36.5 | 175.5 | -24.6 | 35.6 | 0 | 0 | 0 | 113.5 | I71 E77 | I71-P73 VanDerWaalsContact C-CD 3.42Å; I71-P73 VanDerWaalsContact C-N 3.32Å; P73-E77 WeakPolarHBondContact O-CB 3.42Å; P73-E77 PolarHBondContact O-N 3Å |
| 74 | L | 97.1 | Very high | 95.3 | Very high | 71 Ų | 71 | 86.3 Ų | 86.3 | 37% | 0.372 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -72.1 | -38.5 | 176.6 | -67.8 | 172.1 | 0 | 0 | 0 | 111.6 | I71 L72 E77 L78 | I71-L74 WeakPolarHBondContact O-CA 3.35Å; I71-L74 WeakPolarHBondContact O-CB 3.39Å; I71-L74 PolarHBondContact O-N 3.2Å; L72-L74 VanDerWaalsContact C-N 3.28Å; L72-L74 PolarHBondContact O-N 3.41Å; L74-E77 PolarHBondContact O-N 3.41Å; L74-L78 VanDerWaalsContact O-CG 3.3Å; L74-L78 WeakPolarHBondContact O-CG 3.36Å; L74-L78 PolarHBondContact O-N 3.17Å |
| 75 | I | 97.4 | Very high | 95.2 | Very high | 14 Ų | 14 | 82.2 Ų | 82.2 | 7% | 0.072 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -59.4 | -50.4 | 173.9 | -70.1 | 174.7 | 0 | 0 | 0 | 109.6 | L55 I71 L72 E77 L78 E79 | L55-I75 HydrophobicContact CD2-CB 4.42Å; L55-I75 HydrophobicContact CD2-CG1 4.47Å; L55-I75 HydrophobicContact CD2-CG2 4Å; I71-I75 HydrophobicContact CD1-CD1 3.86Å; I71-I75 HydrophobicContact CD1-CG1 4.43Å; I71-I75 HydrophobicContact CG1-CD1 3.89Å; I71-I75 HydrophobicContact CG1-CG1 4.41Å; I71-I75 PolarHBondContact O-N 3.44Å; L72-I75 PolarHBondContact O-N 2.92Å; I75-E77 VanDerWaalsContact C-N 3.33Å; I75-E77 PolarHBondContact O-N 3.22Å; I75-L78 PolarHBondContact O-N 2.86Å; I75-E79 HydrophobicContact CG2-CG 4.34Å; I75-E79 WeakPolarHBondContact O-CB 3.49Å; I75-E79 WeakPolarHBondContact O-CG 3.36Å; I75-E79 PolarHBondContact O-N 3.1Å |
| 76 | N | 98 | Very high | 95.1 | Very high | 83 Ų | 83 | 79.6 Ų | 79.6 | 44% | 0.444 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.2 | -41 | 179.8 | -66 | -11.4 | 0 | 0 | 0 | 112.1 | L72 E79 A80 | L72-N76 VanDerWaalsContact O-CG 3.23Å; L72-N76 PolarHBondContact O-N 3.32Å; L72-N76 PolarHBondContact O-OD1 2.89Å; N76-E79 PolarHBondContact O-N 2.92Å; N76-A80 WeakPolarHBondContact O-CB 3.35Å; N76-A80 PolarHBondContact O-N 3.48Å; N76-A80 VanDerWaalsContact O-N 3.1Å |
| 77 | E | 97.7 | Very high | 94.9 | Very high | 75 Ų | 75 | 81.4 Ų | 81.4 | 35% | 0.35 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -57.5 | -50.7 | 174.8 | -175.4 | -159.7 | 148.1 | 0 | 0 | 111 | R43 P73 L74 I75 A80 L81 | R43-E77 IonicContact CZ-OE1 2.69Å; R43-E77 IonicContact CZ-OE2 2.69Å; R43-E77 IonicContact NE-OE1 3.12Å; R43-E77 PolarHBondContact NE-OE1 3.07Å; R43-E77 VanDerWaalsContact NH2-CD 3.33Å; R43-E77 IonicContact NH2-OE1 2.55Å; R43-E77 PolarHBondContact NH2-OE1 3.31Å; R43-E77 IonicContact NH2-OE2 3.21Å; R43-E77 PolarHBondContact NH2-OE2 2.93Å; P73-E77 WeakPolarHBondContact O-CB 3.42Å; P73-E77 PolarHBondContact O-N 3Å; L74-E77 PolarHBondContact O-N 3.41Å; I75-E77 VanDerWaalsContact C-N 3.33Å; I75-E77 PolarHBondContact O-N 3.22Å; E77-A80 PolarHBondContact O-N 3.49Å; E77-L81 PolarHBondContact O-N 3.34Å |
| 78 | L | 97.4 | Very high | 94.8 | Very high | 3 Ų | 3 | 83.2 Ų | 83.2 | 2% | 0.016 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -67.7 | -37 | -177.8 | -68.1 | 178.4 | 0 | 0 | 0 | 112.4 | L39 V42 R43 R51 L54 L55 L74 I75 A80 L81 | L39-L78 HydrophobicContact CD2-CD1 4.33Å; V42-L78 HydrophobicContact CG2-CD1 4.33Å; V42-L78 HydrophobicContact CG2-CD2 3.83Å; R43-L78 HydrophobicContact CG-CD2 4.02Å; R51-L78 WeakPolarHBondContact CD-O 3.46Å; R51-L78 HydrophobicContact CG-CB 4.32Å; L54-L78 HydrophobicContact CD2-CD1 4.18Å; L55-L78 HydrophobicContact CD1-CB 4.49Å; L55-L78 HydrophobicContact CD2-CB 4.06Å; L55-L78 HydrophobicContact CD2-CD1 4.43Å; L55-L78 HydrophobicContact CG-CB 4.47Å; L74-L78 VanDerWaalsContact O-CG 3.3Å; L74-L78 WeakPolarHBondContact O-CG 3.36Å; L74-L78 PolarHBondContact O-N 3.17Å; I75-L78 PolarHBondContact O-N 2.86Å; L78-A80 VanDerWaalsContact C-N 3.27Å; L78-A80 PolarHBondContact O-N 2.65Å; L78-L81 HydrophobicContact CD2-CD1 3.91Å; L78-L81 PolarHBondContact O-N 3.08Å |
| 79 | E | 96.5 | Very high | 94.6 | Very high | 94 Ų | 94 | 85.6 Ų | 85.6 | 44% | 0.439 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -67.4 | -27 | 176 | -74.2 | 178.9 | 163 | 0 | 0 | 112.6 | L55 K59 I75 N76 | L55-E79 HydrophobicContact CD1-CG 3.72Å; L55-E79 HydrophobicContact CD2-CG 4Å; K59-E79 WeakPolarHBondContact CE-OE1 3.5Å; K59-E79 IonicContact NZ-OE1 2.89Å; K59-E79 PolarHBondContact NZ-OE1 3.21Å; I75-E79 HydrophobicContact CG2-CG 4.34Å; I75-E79 WeakPolarHBondContact O-CB 3.49Å; I75-E79 WeakPolarHBondContact O-CG 3.36Å; I75-E79 PolarHBondContact O-N 3.1Å; N76-E79 PolarHBondContact O-N 2.92Å |
| 80 | A | 96.9 | Very high | 94.3 | Very high | 85 Ų | 85 | 85.7 Ų | 85.7 | 70% | 0.702 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -5.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | N76 E77 L78 | N76-A80 WeakPolarHBondContact O-CB 3.35Å; N76-A80 PolarHBondContact O-N 3.48Å; N76-A80 VanDerWaalsContact O-N 3.1Å; E77-A80 PolarHBondContact O-N 3.49Å; L78-A80 VanDerWaalsContact C-N 3.27Å; L78-A80 PolarHBondContact O-N 2.65Å |
| 81 | L | 95.6 | Very high | 94.1 | Very high | 46 Ų | 46 | 79.7 Ų | 79.7 | 24% | 0.241 | 43% | 0.431 | C | S | . | . | S | Bend | trans | -71.4 | 137.1 | -179.5 | -70.8 | 175.5 | 0 | 0 | 0 | 111.3 | R43 E77 L78 | R43-L81 HydrophobicContact CB-CD1 4.32Å; R43-L81 HydrophobicContact CG-CD1 4.16Å; E77-L81 PolarHBondContact O-N 3.34Å; L78-L81 HydrophobicContact CD2-CD1 3.91Å; L78-L81 PolarHBondContact O-N 3.08Å |
| 82 | P | 90.2 | Very high | 93.8 | Very high | 89 Ų | 89 | 82.9 Ų | 82.9 | 58% | 0.578 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -65.5 | 147.3 | 178.9 | 28.4 | -34.6 | 0 | 0 | 0 | 111.5 | R51 | R51-P82 PolarHBondContact NH2-O 3.47Š|
| 83 | E | 83.5 | Confident | 93.5 | Very high | 153 Ų | 153 | 83.3 Ų | 83.3 | 72% | 0.715 | 45% | 0.452 | S | S | * | . | P | Polyproline II helix | trans | -86.2 | 134.4 | 165.9 | -57.3 | -175.1 | 155.8 | 0 | 0 | 108.2 | V48 | V48-E83 HydrophobicContact CG1-CG 3.96Å; V48-E83 HydrophobicContact CG2-CB 4.18Å; V48-E83 HydrophobicContact CG2-CG 4.31Å |
| 84 | Q | 73.9 | Confident | 93.1 | Very high | 201 Ų | 201 | 83.1 Ų | 83.1 | 94% | 0.939 | 44% | 0.443 | S | S | * | . | trans | -93.4 | 0 | 170.3 | -89.9 | -167.3 | -32.3 | 0 | 0 | 111.2 | P45 | P45-Q84 HydrophobicContact CB-CB 4.21Å; P45-Q84 HydrophobicContact CB-CG 3.56Å |
Retrieved 84 of 84 residues in 120.5 ms
(Link to these results)