| 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 | 62.5 | Low | 66.9 | Low | 240 Ų | 240 | 121.1 Ų | 121.1 | 100% | 1.182 | 63% | 0.626 | S | S | * | * | 0 | 120.8 | 0 | -76.9 | 153.3 | 38.8 | 0 | 0 | 108.1 | |||||
| 2 | K | 67.1 | Low | 66.5 | Low | 173 Ų | 173 | 115.8 Ų | 115.8 | 75% | 0.752 | 61% | 0.607 | S | S | * | * | trans | -78.7 | 131.3 | 176.8 | -52.5 | -177.6 | -171.5 | 179.4 | 0 | 107.9 | E7 | K2-E7 HydrophobicContact CB-CG 4.47Å; K2-E7 WeakPolarHBondContact CD-OE1 3.23Å | ||
| 3 | N | 70.9 | Confident | 66.7 | Low | 88 Ų | 88 | 115.5 Ų | 115.5 | 47% | 0.471 | 60% | 0.6 | S | S | . | * | trans | -77 | 142.9 | -179.4 | 55.5 | -32.8 | 0 | 0 | 0 | 110 | L5 T6 E7 | N3-L5 PolarHBondContact O-N 3.38Å; N3-T6 PolarHBondContact O-N 2.99Å; N3-T6 PolarHBondContact O-OG1 3.39Å; N3-T6 WeakPolarHBondContact OD1-CB 3.47Å; N3-T6 WeakPolarHBondContact OD1-CG2 3.49Å; N3-T6 PolarHBondContact OD1-OG1 3.28Å; N3-E7 PolarHBondContact O-N 3.08Å | ||
| 4 | L | 73.4 | Confident | 66.8 | Low | 149 Ų | 149 | 112.6 Ų | 112.6 | 78% | 0.78 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -53.7 | -29 | -179.3 | -176.9 | 61.7 | 0 | 0 | 0 | 112.9 | K8 | L4-K8 WeakPolarHBondContact O-CB 3.4Å; L4-K8 PolarHBondContact O-N 2.89Å; L4-K8 VanDerWaalsContact O-N 3.13Å |
| 5 | L | 70.1 | Confident | 66.9 | Low | 128 Ų | 128 | 114.1 Ų | 114.1 | 67% | 0.67 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -65.8 | -41.5 | 176 | -64.1 | 172.5 | 0 | 0 | 0 | 112.7 | N3 K8 C9 | N3-L5 PolarHBondContact O-N 3.38Å; L5-K8 PolarHBondContact O-N 3.33Å; L5-C9 WeakPolarHBondContact O-CB 3Å; L5-C9 PolarHBondContact O-N 2.92Å; L5-C9 VanDerWaalsContact O-N 3.07Å; L5-C9 PolarHBondContact O-SG 3.4Å |
| 6 | T | 63.5 | Low | 67 | Low | 55 Ų | 55 | 114.1 Ų | 114.1 | 34% | 0.337 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -70.5 | -38.8 | 178.9 | 53.7 | 0 | 0 | 0 | 0 | 111.7 | N3 K8 C9 I10 | N3-T6 PolarHBondContact O-N 2.99Å; N3-T6 PolarHBondContact O-OG1 3.39Å; N3-T6 WeakPolarHBondContact OD1-CB 3.47Å; N3-T6 WeakPolarHBondContact OD1-CG2 3.49Å; N3-T6 PolarHBondContact OD1-OG1 3.28Å; T6-K8 VanDerWaalsContact C-N 3.33Å; T6-K8 PolarHBondContact O-N 3.03Å; T6-C9 PolarHBondContact O-N 2.86Å; T6-I10 WeakPolarHBondContact O-CB 3.47Å; T6-I10 WeakPolarHBondContact O-CD1 3.42Å; T6-I10 WeakPolarHBondContact O-CG1 3.4Å; T6-I10 PolarHBondContact O-N 3.45Å |
| 7 | E | 67.3 | Low | 67.4 | Low | 82 Ų | 82 | 113.9 Ų | 113.9 | 38% | 0.383 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62.3 | -41.9 | 176.9 | -66.6 | -63.5 | 137.7 | 0 | 0 | 111.3 | K2 N3 I10 S11 | K2-E7 HydrophobicContact CB-CG 4.47Å; K2-E7 WeakPolarHBondContact CD-OE1 3.23Å; N3-E7 PolarHBondContact O-N 3.08Å; E7-I10 PolarHBondContact O-N 3.31Å; E7-S11 WeakPolarHBondContact O-CB 3.48Å; E7-S11 PolarHBondContact O-N 3.4Å |
| 8 | K | 67.6 | Low | 68 | Low | 158 Ų | 158 | 115.5 Ų | 115.5 | 69% | 0.687 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65 | -41.4 | 176.3 | -167.8 | 175.7 | -178.7 | -178.6 | 0 | 112.2 | L4 L5 T6 S11 S12 | L4-K8 WeakPolarHBondContact O-CB 3.4Å; L4-K8 PolarHBondContact O-N 2.89Å; L4-K8 VanDerWaalsContact O-N 3.13Å; L5-K8 PolarHBondContact O-N 3.33Å; T6-K8 VanDerWaalsContact C-N 3.33Å; T6-K8 PolarHBondContact O-N 3.03Å; K8-S11 PolarHBondContact O-N 3.06Å; K8-S12 PolarHBondContact O-N 3.44Å; K8-S12 VanDerWaalsContact O-N 3.08Å; K8-S12 PolarHBondContact O-OG 3.01Å |
| 9 | C | 63.9 | Low | 68.2 | Low | 83 Ų | 83 | 112.8 Ų | 112.8 | 56% | 0.561 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -66.5 | -38.6 | 177.3 | -71.5 | 0 | 0 | 0 | 0 | 112.7 | L5 T6 S12 H13 | L5-C9 WeakPolarHBondContact O-CB 3Å; L5-C9 PolarHBondContact O-N 2.92Å; L5-C9 VanDerWaalsContact O-N 3.07Å; L5-C9 PolarHBondContact O-SG 3.4Å; T6-C9 PolarHBondContact O-N 2.86Å; C9-S12 PolarHBondContact O-OG 3.05Å; C9-S12 VanDerWaalsContact O-OG 3.1Å; C9-H13 VanDerWaalsContact O-CB 3.31Å; C9-H13 WeakPolarHBondContact O-CB 3.29Å; C9-H13 PolarHBondContact O-N 3.31Å; C9-H13 VanDerWaalsContact O-N 3.15Å |
| 10 | I | 65.6 | Low | 68.4 | Low | 92 Ų | 92 | 112.5 Ų | 112.5 | 47% | 0.472 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -70.1 | -40 | 177.4 | -66.5 | 162.7 | 0 | 0 | 0 | 110.4 | T6 E7 N14 | T6-I10 WeakPolarHBondContact O-CB 3.47Å; T6-I10 WeakPolarHBondContact O-CD1 3.42Å; T6-I10 WeakPolarHBondContact O-CG1 3.4Å; T6-I10 PolarHBondContact O-N 3.45Å; E7-I10 PolarHBondContact O-N 3.31Å; I10-N14 WeakPolarHBondContact CG2-ND2 3.4Å; I10-N14 WeakPolarHBondContact O-CB 3.27Å; I10-N14 PolarHBondContact O-N 3.19Å; I10-N14 VanDerWaalsContact O-N 3.15Å; I10-N14 PolarHBondContact O-ND2 3.02Å |
| 11 | S | 64.4 | Low | 68.9 | Low | 84 Ų | 84 | 113.5 Ų | 113.5 | 59% | 0.587 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -62.2 | -47.8 | 177.6 | 179.9 | 0 | 0 | 0 | 0 | 112.4 | E7 K8 N14 F15 | E7-S11 WeakPolarHBondContact O-CB 3.48Å; E7-S11 PolarHBondContact O-N 3.4Å; K8-S11 PolarHBondContact O-N 3.06Å; S11-N14 PolarHBondContact O-N 3.15Å; S11-F15 PolarHBondContact O-N 3.04Å |
| 12 | S | 61.8 | Low | 69.5 | Low | 58 Ų | 58 | 108.4 Ų | 108.4 | 41% | 0.406 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.4 | -40.5 | 179.7 | 62.4 | 0 | 0 | 0 | 0 | 112.4 | K8 C9 N14 F15 H16 | K8-S12 PolarHBondContact O-N 3.44Å; K8-S12 VanDerWaalsContact O-N 3.08Å; K8-S12 PolarHBondContact O-OG 3.01Å; C9-S12 PolarHBondContact O-OG 3.05Å; C9-S12 VanDerWaalsContact O-OG 3.1Å; S12-N14 VanDerWaalsContact C-N 3.35Å; S12-N14 PolarHBondContact O-N 3.29Å; S12-F15 PolarHBondContact O-N 2.97Å; S12-H16 PolarHBondContact O-CD2 3.23Å; S12-H16 PolarHBondContact O-N 3.11Å |
| 13 | H | 69.5 | Low | 69.7 | Low | 111 Ų | 111 | 108.4 Ų | 108.4 | 51% | 0.514 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.5 | -41.9 | 179.3 | -171.2 | 65.2 | 0 | 0 | 0 | 112.2 | C9 H16 Q17 | C9-H13 VanDerWaalsContact O-CB 3.31Å; C9-H13 WeakPolarHBondContact O-CB 3.29Å; C9-H13 PolarHBondContact O-N 3.31Å; C9-H13 VanDerWaalsContact O-N 3.15Å; H13-H16 PolarHBondContact O-N 2.95Å; H13-Q17 PolarHBondContact CD2-NE2 2.93Å; H13-Q17 PolarHBondContact NE2-NE2 3.26Å; H13-Q17 PolarHBondContact O-N 3.32Å |
| 14 | N | 67.1 | Low | 69.6 | Low | 76 Ų | 76 | 109.5 Ų | 109.5 | 41% | 0.406 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.4 | -34.6 | 178.5 | -79.7 | -57.8 | 0 | 0 | 0 | 113.3 | I10 S11 S12 K18 | I10-N14 WeakPolarHBondContact CG2-ND2 3.4Å; I10-N14 WeakPolarHBondContact O-CB 3.27Å; I10-N14 PolarHBondContact O-N 3.19Å; I10-N14 VanDerWaalsContact O-N 3.15Å; I10-N14 PolarHBondContact O-ND2 3.02Å; S11-N14 PolarHBondContact O-N 3.15Å; S12-N14 VanDerWaalsContact C-N 3.35Å; S12-N14 PolarHBondContact O-N 3.29Å; N14-K18 WeakPolarHBondContact O-CG 3.44Å; N14-K18 PolarHBondContact O-N 2.99Å; N14-K18 VanDerWaalsContact O-N 3.15Å |
| 15 | F | 68.4 | Low | 69.6 | Low | 134 Ų | 134 | 107.5 Ų | 107.5 | 59% | 0.588 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.5 | -46 | 176 | -178.5 | -101.4 | 0 | 0 | 0 | 111.5 | S11 S12 Q17 K18 V19 | S11-F15 PolarHBondContact O-N 3.04Å; S12-F15 PolarHBondContact O-N 2.97Å; F15-Q17 PolarHBondContact O-N 2.93Å; F15-K18 PolarHBondContact O-N 2.97Å; F15-V19 HydrophobicContact CD1-CG2 4.22Å; F15-V19 HydrophobicContact CE1-CG2 3.82Å; F15-V19 HydrophobicContact CE2-CG2 4.13Å; F15-V19 HydrophobicContact CZ-CG2 3.78Å; F15-V19 WeakPolarHBondContact O-CG2 3.43Å; F15-V19 PolarHBondContact O-N 3.47Å |
| 16 | H | 69.2 | Low | 69.4 | Low | 114 Ų | 114 | 109.6 Ų | 109.6 | 53% | 0.528 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.3 | -43.9 | 178.4 | -75.2 | -60.7 | 0 | 0 | 0 | 112.4 | S12 H13 K18 V19 I20 | S12-H16 PolarHBondContact O-CD2 3.23Å; S12-H16 PolarHBondContact O-N 3.11Å; H13-H16 PolarHBondContact O-N 2.95Å; H16-K18 PolarHBondContact O-N 2.96Å; H16-V19 PolarHBondContact O-N 2.9Å; H16-I20 WeakPolarHBondContact O-CB 3.49Å; H16-I20 WeakPolarHBondContact O-CD1 3.41Å; H16-I20 WeakPolarHBondContact O-CG1 3.46Å; H16-I20 PolarHBondContact O-N 3.4Å |
| 17 | Q | 73.9 | Confident | 69.3 | Low | 111 Ų | 111 | 112.2 Ų | 112.2 | 52% | 0.519 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.3 | -41.9 | 177.3 | -71.4 | -157.9 | 42.4 | 0 | 0 | 112.6 | H13 F15 I20 K21 | H13-Q17 PolarHBondContact CD2-NE2 2.93Å; H13-Q17 PolarHBondContact NE2-NE2 3.26Å; H13-Q17 PolarHBondContact O-N 3.32Å; F15-Q17 PolarHBondContact O-N 2.93Å; Q17-I20 PolarHBondContact O-N 2.98Å; Q17-K21 WeakPolarHBondContact O-CB 3.31Å; Q17-K21 PolarHBondContact O-N 3.46Å |
| 18 | K | 77.3 | Confident | 68.9 | Low | 143 Ų | 143 | 112.1 Ų | 112.1 | 62% | 0.622 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.6 | -43.8 | 177.3 | -75.6 | 179.3 | -179.9 | -177.5 | 0 | 112.4 | N14 F15 H16 K21 Q22 | N14-K18 WeakPolarHBondContact O-CG 3.44Å; N14-K18 PolarHBondContact O-N 2.99Å; N14-K18 VanDerWaalsContact O-N 3.15Å; F15-K18 PolarHBondContact O-N 2.97Å; H16-K18 PolarHBondContact O-N 2.96Å; K18-K21 PolarHBondContact O-N 3.35Å; K18-Q22 WeakPolarHBondContact O-CG 3.2Å; K18-Q22 PolarHBondContact O-N 3.45Å |
| 19 | V | 71.5 | Confident | 68.4 | Low | 65 Ų | 65 | 110.7 Ų | 110.7 | 39% | 0.394 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.9 | -41.2 | 178 | 172.3 | 0 | 0 | 0 | 0 | 111.1 | F15 H16 R23 | F15-V19 HydrophobicContact CD1-CG2 4.22Å; F15-V19 HydrophobicContact CE1-CG2 3.82Å; F15-V19 HydrophobicContact CE2-CG2 4.13Å; F15-V19 HydrophobicContact CZ-CG2 3.78Å; F15-V19 WeakPolarHBondContact O-CG2 3.43Å; F15-V19 PolarHBondContact O-N 3.47Å; H16-V19 PolarHBondContact O-N 2.9Å; V19-R23 VanDerWaalsContact O-CB 3.27Å; V19-R23 WeakPolarHBondContact O-CB 3.39Å; V19-R23 PolarHBondContact O-N 3.22Å |
| 20 | I | 73.9 | Confident | 68.1 | Low | 105 Ų | 105 | 110.9 Ų | 110.9 | 54% | 0.538 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.4 | -45.9 | 176.3 | -68.4 | 164.9 | 0 | 0 | 0 | 110.3 | H16 Q17 R23 M24 | H16-I20 WeakPolarHBondContact O-CB 3.49Å; H16-I20 WeakPolarHBondContact O-CD1 3.41Å; H16-I20 WeakPolarHBondContact O-CG1 3.46Å; H16-I20 PolarHBondContact O-N 3.4Å; Q17-I20 PolarHBondContact O-N 2.98Å; I20-R23 PolarHBondContact O-N 3.38Å; I20-M24 HydrophobicContact CG2-CG 4.41Å; I20-M24 VanDerWaalsContact O-CG 3.29Å; I20-M24 WeakPolarHBondContact O-CG 3.19Å; I20-M24 PolarHBondContact O-N 3.02Å |
| 21 | K | 77.8 | Confident | 67.7 | Low | 135 Ų | 135 | 115.9 Ų | 115.9 | 59% | 0.587 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -59.7 | -50.8 | 178.1 | -175.9 | 174.7 | 175.6 | 178.9 | 0 | 112.2 | Q17 K18 R23 M24 E25 | Q17-K21 WeakPolarHBondContact O-CB 3.31Å; Q17-K21 PolarHBondContact O-N 3.46Å; K18-K21 PolarHBondContact O-N 3.35Å; K21-R23 VanDerWaalsContact C-N 3.28Å; K21-R23 PolarHBondContact O-N 3.29Å; K21-M24 PolarHBondContact O-N 3.15Å; K21-M24 VanDerWaalsContact O-N 3.11Å; K21-E25 WeakPolarHBondContact CE-OE1 3.49Å; K21-E25 WeakPolarHBondContact CG-OE1 3.33Å; K21-E25 WeakPolarHBondContact O-CG 3.49Å; K21-E25 PolarHBondContact O-N 3.32Å |
| 22 | Q | 74.6 | Confident | 67.3 | Low | 133 Ų | 133 | 121 Ų | 121 | 62% | 0.621 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -59.4 | -39 | 176.6 | -73.3 | -177.6 | 4.6 | 0 | 0 | 112.3 | K18 M24 K26 | K18-Q22 WeakPolarHBondContact O-CG 3.2Å; K18-Q22 PolarHBondContact O-N 3.45Å; Q22-M24 VanDerWaalsContact C-N 3.34Å; Q22-K26 WeakPolarHBondContact O-CB 3.37Å; Q22-K26 PolarHBondContact O-N 3.46Å |
| 23 | R | 71.5 | Confident | 67 | Low | 172 Ų | 172 | 126.8 Ų | 126.8 | 65% | 0.649 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -67.6 | -35 | 177.7 | -169.6 | 177.9 | -174.3 | -175 | 1.7 | 112.2 | V19 I20 K21 K27 | V19-R23 VanDerWaalsContact O-CB 3.27Å; V19-R23 WeakPolarHBondContact O-CB 3.39Å; V19-R23 PolarHBondContact O-N 3.22Å; I20-R23 PolarHBondContact O-N 3.38Å; K21-R23 VanDerWaalsContact C-N 3.28Å; K21-R23 PolarHBondContact O-N 3.29Å; R23-K27 WeakPolarHBondContact O-CG 3.07Å; R23-K27 PolarHBondContact O-N 3.46Å |
| 24 | M | 70.2 | Confident | 66.5 | Low | 111 Ų | 111 | 130 Ų | 130 | 55% | 0.547 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -70.8 | -44.3 | 176.1 | -71.9 | -62.4 | -68.7 | 0 | 0 | 111.5 | I20 K21 Q22 K26 K27 V28 | I20-M24 HydrophobicContact CG2-CG 4.41Å; I20-M24 VanDerWaalsContact O-CG 3.29Å; I20-M24 WeakPolarHBondContact O-CG 3.19Å; I20-M24 PolarHBondContact O-N 3.02Å; K21-M24 PolarHBondContact O-N 3.15Å; K21-M24 VanDerWaalsContact O-N 3.11Å; Q22-M24 VanDerWaalsContact C-N 3.34Å; M24-K26 VanDerWaalsContact C-N 3.35Å; M24-K26 PolarHBondContact O-N 3.44Å; M24-K27 PolarHBondContact O-N 3.01Å; M24-K27 VanDerWaalsContact O-N 3.15Å; M24-V28 WeakPolarHBondContact O-CG2 2.95Å; M24-V28 PolarHBondContact O-N 3.15Å |
| 25 | E | 72 | Confident | 66.2 | Low | 108 Ų | 108 | 134.6 Ų | 134.6 | 51% | 0.505 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -59.1 | -44.9 | 176.3 | -71.3 | 168.8 | 177.7 | 0 | 0 | 111.3 | K21 K27 V28 | K21-E25 WeakPolarHBondContact CE-OE1 3.49Å; K21-E25 WeakPolarHBondContact CG-OE1 3.33Å; K21-E25 WeakPolarHBondContact O-CG 3.49Å; K21-E25 PolarHBondContact O-N 3.32Å; E25-K27 VanDerWaalsContact C-N 3.3Å; E25-K27 PolarHBondContact O-N 2.82Å; E25-V28 PolarHBondContact O-N 3.15Å |
| 26 | K | 66.3 | Low | 65.7 | Low | 171 Ų | 171 | 131.4 Ų | 131.4 | 74% | 0.743 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -65.3 | -28 | 176.9 | -170.5 | 173.1 | -179.4 | 175.7 | 0 | 114.1 | Q22 M24 | Q22-K26 WeakPolarHBondContact O-CB 3.37Å; Q22-K26 PolarHBondContact O-N 3.46Å; M24-K26 VanDerWaalsContact C-N 3.35Å; M24-K26 PolarHBondContact O-N 3.44Å |
| 27 | K | 62.2 | Low | 65.4 | Low | 111 Ų | 111 | 130.2 Ų | 130.2 | 48% | 0.483 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -79 | -23.9 | 177.3 | -81.7 | -177.3 | 175.4 | -172.3 | 0 | 113.2 | R23 M24 E25 D29 S30 | R23-K27 WeakPolarHBondContact O-CG 3.07Å; R23-K27 PolarHBondContact O-N 3.46Å; M24-K27 PolarHBondContact O-N 3.01Å; M24-K27 VanDerWaalsContact O-N 3.15Å; E25-K27 VanDerWaalsContact C-N 3.3Å; E25-K27 PolarHBondContact O-N 2.82Å; K27-D29 VanDerWaalsContact C-N 3.31Å; K27-S30 PolarHBondContact O-OG 3.32Å |
| 28 | V | 58.6 | Low | 64.9 | Low | 79 Ų | 79 | 130.8 Ų | 130.8 | 48% | 0.479 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -71 | -33.9 | 177.3 | 171.4 | 0 | 0 | 0 | 0 | 110.2 | M24 E25 Y32 | M24-V28 WeakPolarHBondContact O-CG2 2.95Å; M24-V28 PolarHBondContact O-N 3.15Å; E25-V28 PolarHBondContact O-N 3.15Å; V28-Y32 WeakPolarHBondContact O-CD2 3.41Å |
| 29 | D | 56.8 | Low | 64.5 | Low | 128 Ų | 128 | 133.3 Ų | 133.3 | 68% | 0.684 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -76.1 | -24.4 | -177 | -136.2 | 5.9 | 0 | 0 | 0 | 113.9 | K27 R31 | K27-D29 VanDerWaalsContact C-N 3.31Å; D29-R31 VanDerWaalsContact C-N 3.33Å; D29-R31 PolarHBondContact O-N 3.21Å |
| 30 | S | 57.6 | Low | 64.3 | Low | 87 Ų | 87 | 138.9 Ų | 138.9 | 61% | 0.608 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -14.1 | -175.9 | 77.4 | 0 | 0 | 0 | 0 | 114.4 | K27 | K27-S30 PolarHBondContact O-OG 3.32Š|
| 31 | R | 57.8 | Low | 63.9 | Low | 198 Ų | 198 | 139.4 Ų | 139.4 | 75% | 0.747 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | -11.1 | 180 | -70.5 | -171.9 | -71.3 | -160 | 1.6 | 113.6 | D29 | D29-R31 VanDerWaalsContact C-N 3.33Å; D29-R31 PolarHBondContact O-N 3.21Å |
| 32 | Y | 54.9 | Low | 63 | Low | 191 Ų | 191 | 142.5 Ų | 142.5 | 75% | 0.749 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -90.1 | -5.4 | 179.5 | -85.8 | -79.2 | 0 | 0 | 0 | 114.4 | V28 | V28-Y32 WeakPolarHBondContact O-CD2 3.41Š|
| 33 | F | 57.1 | Low | 62.3 | Low | 179 Ų | 179 | 141.6 Ų | 141.6 | 79% | 0.785 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -107.6 | 46.5 | -176.7 | -147.6 | -93.8 | 0 | 0 | 0 | 113.7 | ||
| 34 | K | 58.4 | Low | 61.8 | Low | 179 Ų | 179 | 137.2 Ų | 137.2 | 78% | 0.778 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -139.7 | 9.9 | 169.3 | -69.2 | -60.9 | 163.5 | -166.1 | 0 | 116.5 | ||
| 35 | D | 59.6 | Low | 61.3 | Low | 173 Ų | 173 | 140.7 Ų | 140.7 | 93% | 0.925 | 72% | 0.719 | S | S | * | * | trans | -111.5 | 51.3 | 174.5 | -77.9 | -34.2 | 0 | 0 | 0 | 113.1 | ||||
| 36 | G | 58.1 | Low | 60.7 | Low | 67 Ų | 67 | 141.9 Ų | 141.9 | 69% | 0.691 | 73% | 0.733 | S | S | * | * | trans | -131 | 20.1 | 172 | 0 | 0 | 0 | 0 | 0 | 113.1 | V38 | G36-V38 PolarHBondContact O-N 3.21Š| ||
| 37 | A | 63.3 | Low | 60.6 | Low | 89 Ų | 89 | 140.5 Ų | 140.5 | 74% | 0.736 | 73% | 0.734 | S | S | * | * | trans | -82 | 66.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | K39 | A37-K39 VanDerWaalsContact C-N 3.32Å; A37-K39 PolarHBondContact O-N 2.89Å | ||
| 38 | V | 63.4 | Low | 60.3 | Low | 123 Ų | 123 | 140.1 Ų | 140.1 | 75% | 0.745 | 75% | 0.745 | S | S | * | * | trans | -64 | 100.4 | 163.6 | 174.9 | 0 | 0 | 0 | 0 | 106.3 | G36 K40 | G36-V38 PolarHBondContact O-N 3.21Å; V38-K40 PolarHBondContact O-N 3.13Å | ||
| 39 | K | 68.1 | Low | 60.7 | Low | 196 Ų | 196 | 142.2 Ų | 142.2 | 85% | 0.852 | 75% | 0.753 | S | S | * | * | trans | -63.6 | 106.5 | 169.6 | -68.9 | -148.6 | 178 | -174.3 | 0 | 107.4 | A37 | A37-K39 VanDerWaalsContact C-N 3.32Å; A37-K39 PolarHBondContact O-N 2.89Å | ||
| 40 | K | 67.9 | Low | 61 | Low | 181 Ų | 181 | 145 Ų | 145 | 79% | 0.787 | 76% | 0.759 | S | S | * | * | trans | -57.7 | 135.4 | 168.3 | -75.2 | -79.8 | -175.8 | 176.4 | 0 | 108.4 | V38 Y42 | V38-K40 PolarHBondContact O-N 3.13Å; K40-Y42 PolarHBondContact O-N 3.08Å | ||
| 41 | P | 65.8 | Low | 61.4 | Low | 117 Ų | 117 | 150.1 Ų | 150.1 | 76% | 0.76 | 77% | 0.771 | S | S | * | * | trans | -61 | 134.1 | 169.8 | 25.4 | -30.8 | 0 | 0 | 0 | 109 | ||||
| 42 | Y | 58.9 | Low | 61.7 | Low | 200 Ų | 200 | 146.3 Ų | 146.3 | 78% | 0.784 | 77% | 0.774 | S | S | * | * | trans | -41.6 | 130.3 | -174.4 | -162.5 | -99.9 | 0 | 0 | 0 | 113.6 | K40 | K40-Y42 PolarHBondContact O-N 3.08Š| ||
| 43 | S | 60 | Low | 62.2 | Low | 114 Ų | 114 | 142.5 Ų | 142.5 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | trans | -146.4 | 121.7 | 166.2 | -168.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 44 | A | 61.4 | Low | 62.5 | Low | 79 Ų | 79 | 137.6 Ų | 137.6 | 65% | 0.653 | 77% | 0.768 | S | S | * | * | trans | 43.7 | 111 | 165.8 | 0 | 0 | 0 | 0 | 0 | 120.6 | T46 | A44-T46 PolarHBondContact O-N 3.47Š| ||
| 45 | K | 60.1 | Low | 62.7 | Low | 185 Ų | 185 | 134.3 Ų | 134.3 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | -45 | 119.6 | 162.2 | -63.3 | 170.1 | 179.3 | 176.5 | 0 | 111.2 | ||||
| 46 | T | 59.2 | Low | 62.6 | Low | 132 Ų | 132 | 134.9 Ų | 134.9 | 81% | 0.81 | 76% | 0.762 | S | S | * | * | trans | -119.4 | 106.9 | 151.8 | -38.9 | 0 | 0 | 0 | 0 | 106.4 | A44 S48 | A44-T46 PolarHBondContact O-N 3.47Å; T46-S48 VanDerWaalsContact C-N 3.29Å; T46-S48 PolarHBondContact O-N 2.93Å | ||
| 47 | L | 63.3 | Low | 62.9 | Low | 143 Ų | 143 | 134.8 Ų | 134.8 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | trans | -64.8 | 89.9 | 176.9 | -168.7 | 98.6 | 0 | 0 | 0 | 107.8 | N49 | L47-N49 VanDerWaalsContact C-N 3.33Å; L47-N49 HydrophobicContact CD2-CB 4.49Å; L47-N49 VanDerWaalsContact CD2-OD1 3.23Å; L47-N49 WeakPolarHBondContact CD2-OD1 3.48Å; L47-N49 PolarHBondContact O-N 2.97Å; L47-N49 PolarHBondContact O-OD1 3.43Å; L47-N49 VanDerWaalsContact O-OD1 3.08Å | ||
| 48 | S | 56.3 | Low | 63.1 | Low | 102 Ų | 102 | 136.3 Ų | 136.3 | 71% | 0.713 | 76% | 0.756 | S | S | * | * | trans | -94.2 | 74.8 | 167.5 | -171.6 | 0 | 0 | 0 | 0 | 108.1 | T46 K50 | T46-S48 VanDerWaalsContact C-N 3.29Å; T46-S48 PolarHBondContact O-N 2.93Å; S48-K50 PolarHBondContact O-N 3.1Å | ||
| 49 | N | 65.8 | Low | 63.1 | Low | 124 Ų | 124 | 141.7 Ų | 141.7 | 66% | 0.663 | 76% | 0.763 | S | S | * | * | trans | -71.4 | 61.6 | 164.7 | 40.5 | -26.6 | 0 | 0 | 0 | 109.5 | L47 K51 | L47-N49 VanDerWaalsContact C-N 3.33Å; L47-N49 HydrophobicContact CD2-CB 4.49Å; L47-N49 VanDerWaalsContact CD2-OD1 3.23Å; L47-N49 WeakPolarHBondContact CD2-OD1 3.48Å; L47-N49 PolarHBondContact O-N 2.97Å; L47-N49 PolarHBondContact O-OD1 3.43Å; L47-N49 VanDerWaalsContact O-OD1 3.08Å; N49-K51 PolarHBondContact O-N 3.28Å | ||
| 50 | K | 64.3 | Low | 62.8 | Low | 185 Ų | 185 | 143.1 Ų | 143.1 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | -87 | 92.6 | 163.5 | -157.9 | 169.8 | -175.6 | 177.9 | 0 | 107.2 | S48 S52 | S48-K50 PolarHBondContact O-N 3.1Å; K50-S52 PolarHBondContact O-N 3.23Å | ||
| 51 | K | 66.6 | Low | 62.8 | Low | 196 Ų | 196 | 142.6 Ų | 142.6 | 85% | 0.852 | 76% | 0.763 | S | S | * | * | trans | -51.1 | 110.9 | 170.3 | -74.4 | 172.4 | 174.9 | 175 | 0 | 108.2 | N49 S53 | N49-K51 PolarHBondContact O-N 3.28Å; K51-S53 VanDerWaalsContact C-N 3.3Å; K51-S53 PolarHBondContact O-N 3.09Å | ||
| 52 | S | 62.8 | Low | 62.9 | Low | 118 Ų | 118 | 144.2 Ų | 144.2 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | trans | -77.4 | 84.7 | 168.9 | 59.6 | 0 | 0 | 0 | 0 | 108.4 | K50 A54 | K50-S52 PolarHBondContact O-N 3.23Å; S52-A54 VanDerWaalsContact C-N 3.33Å; S52-A54 PolarHBondContact O-N 3.1Å | ||
| 53 | S | 65.6 | Low | 63.2 | Low | 111 Ų | 111 | 140.3 Ų | 140.3 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | trans | -88.3 | 76.5 | 165.3 | 61.1 | 0 | 0 | 0 | 0 | 109 | K51 S55 | K51-S53 VanDerWaalsContact C-N 3.3Å; K51-S53 PolarHBondContact O-N 3.09Å; S53-S55 PolarHBondContact O-N 2.95Å | ||
| 54 | A | 63 | Low | 63.4 | Low | 75 Ų | 75 | 139.6 Ų | 139.6 | 62% | 0.62 | 76% | 0.759 | S | S | * | * | trans | -90.7 | 84.5 | 161.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | S52 F56 | S52-A54 VanDerWaalsContact C-N 3.33Å; S52-A54 PolarHBondContact O-N 3.1Å; A54-F56 VanDerWaalsContact C-N 3.35Å; A54-F56 HydrophobicContact CB-CD2 4.5Å; A54-F56 HydrophobicContact CB-CE2 4.32Å; A54-F56 PolarHBondContact O-N 2.84Å | ||
| 55 | S | 63.3 | Low | 63.4 | Low | 111 Ų | 111 | 142 Ų | 142 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | trans | -63.7 | 97.2 | 164.1 | 165.4 | 0 | 0 | 0 | 0 | 107.7 | S53 G57 | S53-S55 PolarHBondContact O-N 2.95Å; S55-G57 PolarHBondContact O-N 3.39Å | ||
| 56 | F | 57.7 | Low | 63.7 | Low | 184 Ų | 184 | 138 Ų | 138 | 81% | 0.807 | 76% | 0.76 | S | S | * | * | trans | -78.6 | 79 | 159.8 | -80 | -75.6 | 0 | 0 | 0 | 107.5 | A54 I58 | A54-F56 VanDerWaalsContact C-N 3.35Å; A54-F56 HydrophobicContact CB-CD2 4.5Å; A54-F56 HydrophobicContact CB-CE2 4.32Å; A54-F56 PolarHBondContact O-N 2.84Å; F56-I58 VanDerWaalsContact C-N 3.35Å; F56-I58 PolarHBondContact O-N 2.84Å | ||
| 57 | G | 65 | Low | 64 | Low | 65 Ų | 65 | 139.4 Ų | 139.4 | 67% | 0.67 | 76% | 0.758 | S | S | * | * | trans | -63.3 | 96.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | S55 | S55-G57 PolarHBondContact O-N 3.39Š| ||
| 58 | I | 66 | Low | 64.2 | Low | 122 Ų | 122 | 139.3 Ų | 139.3 | 63% | 0.626 | 76% | 0.757 | S | S | * | * | trans | -121.6 | 84 | 161.1 | -51.5 | 178 | 0 | 0 | 0 | 105.9 | F56 R60 | F56-I58 VanDerWaalsContact C-N 3.35Å; F56-I58 PolarHBondContact O-N 2.84Å; I58-R60 VanDerWaalsContact C-N 3.26Å; I58-R60 HydrophobicContact CG2-CG 3.85Å; I58-R60 PolarHBondContact O-N 3.29Å | ||
| 59 | R | 64.3 | Low | 64.2 | Low | 235 Ų | 235 | 140.6 Ų | 140.6 | 89% | 0.887 | 76% | 0.761 | S | S | * | * | trans | -61.5 | 98.8 | 155.5 | -107.8 | -176.6 | 179.2 | -104.5 | 0.5 | 105.3 | E61 | R59-E61 PolarHBondContact O-N 3.46Š| ||
| 60 | R | 62.9 | Low | 64.2 | Low | 226 Ų | 226 | 141.8 Ų | 141.8 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | trans | -73.6 | 89 | 159.7 | -69.1 | -172.2 | 175.7 | 178.3 | -1.7 | 105.6 | I58 L62 | I58-R60 VanDerWaalsContact C-N 3.26Å; I58-R60 HydrophobicContact CG2-CG 3.85Å; I58-R60 PolarHBondContact O-N 3.29Å; R60-L62 PolarHBondContact O-N 2.94Å | ||
| 61 | E | 66.4 | Low | 64 | Low | 170 Ų | 170 | 143.5 Ų | 143.5 | 79% | 0.794 | 77% | 0.765 | S | S | * | * | trans | -62.6 | 121.9 | 163.9 | -165.5 | 166.8 | -176.3 | 0 | 0 | 107 | R59 | R59-E61 PolarHBondContact O-N 3.46Š| ||
| 62 | L | 67.9 | Low | 63.7 | Low | 152 Ų | 152 | 144 Ų | 144 | 80% | 0.796 | 76% | 0.761 | S | S | * | * | trans | -61 | 132.1 | 177.2 | -75.3 | 143.4 | 0 | 0 | 0 | 108.5 | R60 S64 | R60-L62 PolarHBondContact O-N 2.94Å; L62-S64 VanDerWaalsContact C-N 3.26Å; L62-S64 PolarHBondContact O-N 3.13Å | ||
| 63 | P | 65.2 | Low | 63.5 | Low | 118 Ų | 118 | 140.9 Ų | 140.9 | 77% | 0.766 | 75% | 0.748 | S | S | * | * | trans | -67.3 | 97.2 | 156.5 | 27.1 | -28.4 | 0 | 0 | 0 | 107.1 | T65 | P63-T65 VanDerWaalsContact C-N 3.26Å; P63-T65 PolarHBondContact O-N 3.49Å | ||
| 64 | S | 64.3 | Low | 63.2 | Low | 98 Ų | 98 | 140 Ų | 140 | 69% | 0.685 | 74% | 0.738 | S | S | * | * | trans | -66.5 | 86.9 | 166 | 173.2 | 0 | 0 | 0 | 0 | 108.2 | L62 S66 | L62-S64 VanDerWaalsContact C-N 3.26Å; L62-S64 PolarHBondContact O-N 3.13Å; S64-S66 PolarHBondContact O-N 3Å; S64-S66 VanDerWaalsContact O-N 3.09Å | ||
| 65 | T | 62.8 | Low | 63.2 | Low | 130 Ų | 130 | 144.6 Ų | 144.6 | 80% | 0.798 | 75% | 0.747 | S | S | * | * | trans | -83.6 | 77.6 | 164.5 | -57.1 | 0 | 0 | 0 | 0 | 108.3 | P63 H67 | P63-T65 VanDerWaalsContact C-N 3.26Å; P63-T65 PolarHBondContact O-N 3.49Å; T65-H67 PolarHBondContact O-N 3.07Å; T65-H67 VanDerWaalsContact O-N 3.1Å | ||
| 66 | S | 65.8 | Low | 62.5 | Low | 100 Ų | 100 | 145.5 Ų | 145.5 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | trans | -68.4 | 91.3 | 161.4 | 39.4 | 0 | 0 | 0 | 0 | 109.1 | S64 | S64-S66 PolarHBondContact O-N 3Å; S64-S66 VanDerWaalsContact O-N 3.09Å | ||
| 67 | H | 65.6 | Low | 62.2 | Low | 163 Ų | 163 | 142.4 Ų | 142.4 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | trans | -156.8 | 111.5 | 139.5 | -140.5 | -57.7 | 0 | 0 | 0 | 111.4 | T65 | T65-H67 PolarHBondContact O-N 3.07Å; T65-H67 VanDerWaalsContact O-N 3.1Å | ||
| 68 | L | 66.9 | Low | 61.7 | Low | 141 Ų | 141 | 146.1 Ų | 146.1 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | trans | -68.9 | 130.6 | 162.4 | -72.7 | 154.4 | 0 | 0 | 0 | 108.4 | ||||
| 69 | V | 56.7 | Low | 60.9 | Low | 129 Ų | 129 | 155 Ų | 155 | 78% | 0.782 | 78% | 0.783 | S | S | * | * | trans | -135.3 | 100.6 | 143.9 | 176.4 | 0 | 0 | 0 | 0 | 106.8 | Y71 | V69-Y71 PolarHBondContact O-N 3.22Š| ||
| 70 | Q | 65.9 | Low | 60.7 | Low | 148 Ų | 148 | 151.1 Ų | 151.1 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | trans | -65.6 | 110.4 | 168.5 | -60.7 | 175.2 | 15.3 | 0 | 0 | 107.1 | R72 | Q70-R72 PolarHBondContact O-N 2.91Š| ||
| 71 | Y | 59.9 | Low | 60.6 | Low | 221 Ų | 221 | 147.1 Ų | 147.1 | 87% | 0.867 | 77% | 0.774 | S | S | * | * | trans | -74.2 | 85.6 | 166.3 | -172 | -99.7 | 0 | 0 | 0 | 107.9 | V69 | V69-Y71 PolarHBondContact O-N 3.22Š| ||
| 72 | R | 59 | Low | 60.3 | Low | 206 Ų | 206 | 145.8 Ų | 145.8 | 78% | 0.777 | 77% | 0.773 | S | S | * | * | trans | -115.9 | 98.3 | 167.8 | -157.1 | -178.6 | -166.4 | -101.5 | 2.2 | 108 | Q70 | Q70-R72 PolarHBondContact O-N 2.91Š| ||
| 73 | G | 59.4 | Low | 59.8 | Low | 53 Ų | 53 | 145.5 Ų | 145.5 | 55% | 0.546 | 77% | 0.772 | S | S | . | * | trans | -137.3 | 73.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 74 | T | 60.4 | Low | 59.5 | Low | 93 Ų | 93 | 147.2 Ų | 147.2 | 57% | 0.571 | 77% | 0.772 | S | S | * | * | trans | -81.1 | 102.4 | 166.3 | 42.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 75 | H | 63.1 | Low | 59.2 | Low | 172 Ų | 172 | 150.5 Ų | 150.5 | 80% | 0.796 | 78% | 0.778 | S | S | * | * | trans | -146.4 | 103.3 | 159.4 | -72.9 | -65.4 | 0 | 0 | 0 | 112.3 | ||||
| 76 | T | 47.8 | Very low | 58.9 | Low | 130 Ų | 130 | 151.9 Ų | 151.9 | 80% | 0.798 | 78% | 0.776 | S | S | * | * | trans | 48.3 | 112.1 | 133.8 | 53.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 77 | C | 50.7 | Low | 58.4 | Low | 118 Ų | 118 | 155.9 Ų | 155.9 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | trans | -16.3 | 134.3 | 144.7 | 178.6 | 0 | 0 | 0 | 0 | 117 | ||||
| 78 | T | 55 | Low | 57.8 | Low | 144 Ų | 144 | 155.3 Ų | 155.3 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | trans | -134 | 141.2 | 138.9 | 39 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 79 | R | 49.2 | Very low | 57 | Low | 309 Ų | 309 | 156.6 Ų | 156.6 | 100% | 1.166 | 79% | 0.789 | S | S | * | * | trans | -67.7 | 0 | -169.1 | 168.3 | -178.8 | 142.5 | -157.5 | -4.4 | 114.6 |
Retrieved 79 of 79 residues in 46.8 ms
(Link to these results)