| 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 | A | 45 | Very low | 43.7 | Very low | 131 Ų | 131 | 65.8 Ų | 65.8 | 100% | 1.083 | 54% | 0.544 | S | S | * | . | 0 | -47.5 | 0 | 0 | 0 | 0 | 0 | 0 | 112.4 | A3 A4 A5 | A1-A3 PolarHBondContact O-N 2.93Å; A1-A4 PolarHBondContact O-N 3.06Å; A1-A5 PolarHBondContact O-N 3.4Å | |||
| 2 | A | 33 | Very low | 44.3 | Very low | 82 Ų | 82 | 72.2 Ų | 72.2 | 68% | 0.678 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -59 | -42.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | A4 A5 A6 | A2-A4 VanDerWaalsContact C-N 3.3Å; A2-A4 PolarHBondContact O-N 2.93Å; A2-A5 PolarHBondContact O-N 2.74Å; A2-A5 VanDerWaalsContact O-N 3.14Å; A2-A6 PolarHBondContact O-N 3Å |
| 3 | A | 34.4 | Very low | 45.5 | Very low | 75 Ų | 75 | 69.2 Ų | 69.2 | 62% | 0.62 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.4 | -34.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | A1 A7 | A1-A3 PolarHBondContact O-N 2.93Å; A3-A7 PolarHBondContact O-N 3.47Å |
| 4 | A | 39.3 | Very low | 46.1 | Very low | 72 Ų | 72 | 80.8 Ų | 80.8 | 60% | 0.595 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -72.9 | -33.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | A1 A2 A8 | A1-A4 PolarHBondContact O-N 3.06Å; A2-A4 VanDerWaalsContact C-N 3.3Å; A2-A4 PolarHBondContact O-N 2.93Å; A4-A8 PolarHBondContact O-N 3.09Å; A4-A8 VanDerWaalsContact O-N 3.16Å |
| 5 | A | 41.3 | Very low | 47.1 | Very low | 63 Ų | 63 | 79 Ų | 79 | 52% | 0.521 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -72.3 | -37.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1 A2 A8 A9 | A1-A5 PolarHBondContact O-N 3.4Å; A2-A5 PolarHBondContact O-N 2.74Å; A2-A5 VanDerWaalsContact O-N 3.14Å; A5-A8 PolarHBondContact O-N 3.05Å; A5-A9 WeakPolarHBondContact O-CB 3.45Å; A5-A9 PolarHBondContact O-N 3.35Å |
| 6 | A | 42.7 | Very low | 47.6 | Very low | 30 Ų | 30 | 80.6 Ų | 80.6 | 25% | 0.248 | 55% | 0.55 | C | S | . | . | H | α-helix | trans | -65.8 | -42.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | A2 A8 A9 A10 E54 | A2-A6 PolarHBondContact O-N 3Å; A6-A8 VanDerWaalsContact C-N 3.33Å; A6-A8 PolarHBondContact O-N 2.95Å; A6-A9 PolarHBondContact O-N 2.78Å; A6-A10 WeakPolarHBondContact O-CB 3.35Å; A6-A10 PolarHBondContact O-N 2.98Å; A6-E54 WeakPolarHBondContact CB-OE1 3.36Å |
| 7 | A | 45.7 | Very low | 48 | Very low | 59 Ų | 59 | 87.6 Ų | 87.6 | 49% | 0.488 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -61.9 | -39.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A3 A11 | A3-A7 PolarHBondContact O-N 3.47Å; A7-A11 PolarHBondContact O-N 3.14Å |
| 8 | A | 48.3 | Very low | 48.6 | Very low | 50 Ų | 50 | 83 Ų | 83 | 41% | 0.413 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.3 | -41.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A4 A5 A6 A11 Q12 | A4-A8 PolarHBondContact O-N 3.09Å; A4-A8 VanDerWaalsContact O-N 3.16Å; A5-A8 PolarHBondContact O-N 3.05Å; A6-A8 VanDerWaalsContact C-N 3.33Å; A6-A8 PolarHBondContact O-N 2.95Å; A8-A11 WeakPolarHBondContact O-CB 3.45Å; A8-A11 PolarHBondContact O-N 3.47Å; A8-Q12 PolarHBondContact O-N 3.1Å; A8-Q12 PolarHBondContact O-OE1 3.27Å |
| 9 | A | 49.9 | Very low | 49 | Very low | 52 Ų | 52 | 79.9 Ų | 79.9 | 43% | 0.43 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.8 | -38.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A5 A6 A11 Q12 | A5-A9 WeakPolarHBondContact O-CB 3.45Å; A5-A9 PolarHBondContact O-N 3.35Å; A6-A9 PolarHBondContact O-N 2.78Å; A9-A11 VanDerWaalsContact C-N 3.28Å; A9-A11 PolarHBondContact O-N 3.01Å; A9-Q12 WeakPolarHBondContact O-CB 3.42Å; A9-Q12 PolarHBondContact O-N 2.82Å; A9-Q12 VanDerWaalsContact O-N 3.11Å |
| 10 | A | 50 | Low | 49.4 | Very low | 33 Ų | 33 | 78.6 Ų | 78.6 | 27% | 0.273 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.2 | -28 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | A6 Q12 R22 M52 | A6-A10 WeakPolarHBondContact O-CB 3.35Å; A6-A10 PolarHBondContact O-N 2.98Å; A10-Q12 VanDerWaalsContact C-N 3.31Å; A10-R22 PolarHBondContact O-NH1 2.96Å; A10-M52 HydrophobicContact CB-SD 4.46Å |
| 11 | A | 51.2 | Low | 49.8 | Very low | 77 Ų | 77 | 79.6 Ų | 79.6 | 64% | 0.636 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -74.6 | -19 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A7 A8 A9 C13 | A7-A11 PolarHBondContact O-N 3.14Å; A8-A11 WeakPolarHBondContact O-CB 3.45Å; A8-A11 PolarHBondContact O-N 3.47Å; A9-A11 VanDerWaalsContact C-N 3.28Å; A9-A11 PolarHBondContact O-N 3.01Å; A11-C13 VanDerWaalsContact C-N 3.33Å |
| 12 | Q | 50.8 | Low | 50.4 | Low | 142 Ų | 142 | 77.5 Ų | 77.5 | 66% | 0.664 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -15.6 | 177.9 | -123.9 | 84.4 | 65.3 | 0 | 0 | 113.7 | A8 A9 A10 R14 | A8-Q12 PolarHBondContact O-N 3.1Å; A8-Q12 PolarHBondContact O-OE1 3.27Å; A9-Q12 WeakPolarHBondContact O-CB 3.42Å; A9-Q12 PolarHBondContact O-N 2.82Å; A9-Q12 VanDerWaalsContact O-N 3.11Å; A10-Q12 VanDerWaalsContact C-N 3.31Å; Q12-R14 PolarHBondContact O-N 3.41Å |
| 13 | C | 59.7 | Low | 51.6 | Low | 33 Ų | 33 | 80.3 Ų | 80.3 | 22% | 0.223 | 47% | 0.466 | C | S | . | . | trans | -72.7 | 93.3 | 175.3 | -178.6 | 0 | 0 | 0 | 0 | 110.5 | A11 S15 R22 | A11-C13 VanDerWaalsContact C-N 3.33Å; C13-S15 VanDerWaalsContact C-N 3.31Å; C13-S15 PolarHBondContact O-N 2.75Å; C13-R22 PolarHBondContact O-NH2 3.32Å | ||
| 14 | R | 54.2 | Low | 53.1 | Low | 232 Ų | 232 | 78.4 Ų | 78.4 | 88% | 0.875 | 46% | 0.455 | S | S | * | . | trans | -82.5 | 6.3 | -178.6 | -73.7 | -172.6 | 170.5 | -141.5 | -0.4 | 115 | Q12 P16 | Q12-R14 PolarHBondContact O-N 3.41Å; R14-P16 WeakPolarHBondContact O-CD 3.45Å | ||
| 15 | S | 60.9 | Low | 54.1 | Low | 54 Ų | 54 | 81.7 Ų | 81.7 | 38% | 0.378 | 46% | 0.456 | S | S | . | . | trans | -67.9 | 122.6 | 178.7 | 175.3 | 0 | 0 | 0 | 0 | 110.5 | C13 R17 C18 A19 | C13-S15 VanDerWaalsContact C-N 3.31Å; C13-S15 PolarHBondContact O-N 2.75Å; S15-R17 PolarHBondContact O-N 3.23Å; S15-C18 PolarHBondContact O-N 2.81Å; S15-A19 PolarHBondContact O-N 3.47Å | ||
| 16 | P | 54.7 | Low | 55.3 | Low | 104 Ų | 104 | 83.5 Ų | 83.5 | 68% | 0.675 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -63.7 | -28.7 | -179.2 | 24.7 | -33 | 0 | 0 | 0 | 112.1 | R14 A20 | R14-P16 WeakPolarHBondContact O-CD 3.45Å; P16-A20 WeakPolarHBondContact O-CB 3.46Å; P16-A20 PolarHBondContact O-N 3.36Å |
| 17 | R | 55.8 | Low | 56.4 | Low | 200 Ų | 200 | 90.7 Ų | 90.7 | 76% | 0.755 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -66.1 | -47.5 | 174 | -76.2 | -175.6 | 166 | 179.3 | -4.7 | 111.8 | S15 A19 A20 E21 | S15-R17 PolarHBondContact O-N 3.23Å; R17-A19 VanDerWaalsContact C-N 3.3Å; R17-A19 PolarHBondContact O-N 2.85Å; R17-A20 PolarHBondContact O-N 2.86Å; R17-E21 PolarHBondContact O-N 3.06Å |
| 18 | C | 58.2 | Low | 57.6 | Low | 5 Ų | 5 | 93.1 Ų | 93.1 | 3% | 0.034 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -63.6 | -37.2 | 177.5 | 180 | 0 | 0 | 0 | 0 | 112 | S15 R22 C56 C59 | S15-C18 PolarHBondContact O-N 2.81Å; C18-R22 VanDerWaalsContact O-CB 3.23Å; C18-R22 WeakPolarHBondContact O-CB 3.44Å; C18-R22 VanDerWaalsContact O-CG 3.29Å; C18-R22 WeakPolarHBondContact O-CG 3.21Å; C18-R22 PolarHBondContact O-N 3.14Å; C18-R22 PolarHBondContact O-NE 2.89Å; C18-R22 VanDerWaalsContact SG-CZ 3.57Å; C18-R22 PolarHBondContact SG-NE 2.95Å; C18-R22 PolarHBondContact SG-NH2 2.97Å; C18-C56 PolarHBondContact SG-SG 3.46Å; C18-C59 PolarHBondContact SG-SG 3.48Å |
| 19 | A | 56.8 | Low | 58.8 | Low | 25 Ų | 25 | 93.9 Ų | 93.9 | 21% | 0.207 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -69.9 | -37.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S15 R17 R23 | S15-A19 PolarHBondContact O-N 3.47Å; R17-A19 VanDerWaalsContact C-N 3.3Å; R17-A19 PolarHBondContact O-N 2.85Å; A19-R23 VanDerWaalsContact O-CG 3.29Å; A19-R23 WeakPolarHBondContact O-CG 3.05Å; A19-R23 PolarHBondContact O-N 3.09Å; A19-R23 PolarHBondContact O-NE 2.89Å; A19-R23 PolarHBondContact O-NH1 3.16Å |
| 20 | A | 57.1 | Low | 59.7 | Low | 53 Ų | 53 | 94.1 Ų | 94.1 | 44% | 0.438 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -68.2 | -45.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | P16 R17 R23 G24 | P16-A20 WeakPolarHBondContact O-CB 3.46Å; P16-A20 PolarHBondContact O-N 3.36Å; R17-A20 PolarHBondContact O-N 2.86Å; A20-R23 PolarHBondContact O-N 2.87Å; A20-G24 PolarHBondContact O-N 3.23Å |
| 21 | E | 57.2 | Low | 61 | Low | 99 Ų | 99 | 95 Ų | 95 | 46% | 0.463 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -71.5 | -38.8 | 178.7 | -71.3 | -158.7 | 136.8 | 0 | 0 | 112.9 | R17 R23 G24 F25 F58 | R17-E21 PolarHBondContact O-N 3.06Å; E21-R23 PolarHBondContact O-N 3.05Å; E21-G24 PolarHBondContact O-N 2.99Å; E21-F25 PolarHBondContact O-N 3.33Å; E21-F58 VanDerWaalsContact OE2-CD2 3.3Å; E21-F58 WeakPolarHBondContact OE2-CD2 2.84Å; E21-F58 WeakPolarHBondContact OE2-CE2 3.13Å |
| 22 | R | 56.6 | Low | 62.3 | Low | 87 Ų | 87 | 98.1 Ų | 98.1 | 33% | 0.328 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -58.4 | -35.1 | 171.5 | -82.3 | -171.9 | -81.8 | 173.7 | -6.1 | 112.3 | A10 C13 C18 R26 | A10-R22 PolarHBondContact O-NH1 2.96Å; C13-R22 PolarHBondContact O-NH2 3.32Å; C18-R22 VanDerWaalsContact O-CB 3.23Å; C18-R22 WeakPolarHBondContact O-CB 3.44Å; C18-R22 VanDerWaalsContact O-CG 3.29Å; C18-R22 WeakPolarHBondContact O-CG 3.21Å; C18-R22 PolarHBondContact O-N 3.14Å; C18-R22 PolarHBondContact O-NE 2.89Å; C18-R22 VanDerWaalsContact SG-CZ 3.57Å; C18-R22 PolarHBondContact SG-NE 2.95Å; C18-R22 PolarHBondContact SG-NH2 2.97Å; R22-R26 WeakPolarHBondContact O-CB 3.47Å; R22-R26 PolarHBondContact O-N 3.26Å |
| 23 | R | 58.9 | Low | 63.5 | Low | 141 Ų | 141 | 94.1 Ų | 94.1 | 53% | 0.532 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -74 | -38.1 | 173.4 | -73.5 | -175.9 | -66.2 | -99.6 | 1.8 | 112 | A19 A20 E21 R27 | A19-R23 VanDerWaalsContact O-CG 3.29Å; A19-R23 WeakPolarHBondContact O-CG 3.05Å; A19-R23 PolarHBondContact O-N 3.09Å; A19-R23 PolarHBondContact O-NE 2.89Å; A19-R23 PolarHBondContact O-NH1 3.16Å; A20-R23 PolarHBondContact O-N 2.87Å; E21-R23 PolarHBondContact O-N 3.05Å; R23-R27 WeakPolarHBondContact O-CB 3.42Å; R23-R27 WeakPolarHBondContact O-CD 3.26Å; R23-R27 WeakPolarHBondContact O-CG 3.49Å; R23-R27 PolarHBondContact O-N 3.09Å |
| 24 | G | 66.3 | Low | 64.2 | Low | 36 Ų | 36 | 99.3 Ų | 99.3 | 37% | 0.371 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.1 | -54.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A20 E21 R26 R27 E28 | A20-G24 PolarHBondContact O-N 3.23Å; E21-G24 PolarHBondContact O-N 2.99Å; G24-R26 VanDerWaalsContact C-N 3.33Å; G24-R26 PolarHBondContact O-N 3.43Å; G24-R27 WeakPolarHBondContact O-CB 3.26Å; G24-R27 PolarHBondContact O-N 2.87Å; G24-R27 VanDerWaalsContact O-N 3.17Å; G24-E28 PolarHBondContact O-N 3.11Å |
| 25 | F | 60.8 | Low | 65.3 | Low | 141 Ų | 141 | 93.9 Ų | 93.9 | 62% | 0.618 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -61.6 | -40.4 | 179.1 | -171.3 | -99.8 | 0 | 0 | 0 | 112 | E21 E28 L29 | E21-F25 PolarHBondContact O-N 3.33Å; F25-E28 PolarHBondContact O-N 3.24Å; F25-L29 HydrophobicContact CE1-CD1 4.32Å; F25-L29 HydrophobicContact CZ-CD1 4.42Å; F25-L29 WeakPolarHBondContact O-CB 3.42Å; F25-L29 PolarHBondContact O-N 3.42Å |
| 26 | R | 65.6 | Low | 65.8 | Low | 100 Ų | 100 | 96.5 Ų | 96.5 | 38% | 0.377 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.1 | -44.4 | 174.8 | -176.5 | 172 | -70.8 | -97.5 | 3 | 112.1 | R22 G24 E28 L29 D30 | R22-R26 WeakPolarHBondContact O-CB 3.47Å; R22-R26 PolarHBondContact O-N 3.26Å; G24-R26 VanDerWaalsContact C-N 3.33Å; G24-R26 PolarHBondContact O-N 3.43Å; R26-E28 VanDerWaalsContact C-N 3.32Å; R26-E28 PolarHBondContact O-N 3.03Å; R26-L29 PolarHBondContact O-N 2.9Å; R26-D30 WeakPolarHBondContact CG-OD2 3.13Å; R26-D30 WeakPolarHBondContact O-CB 3.46Å; R26-D30 PolarHBondContact O-N 3.47Å |
| 27 | R | 64.8 | Low | 66.4 | Low | 181 Ų | 181 | 94.3 Ų | 94.3 | 68% | 0.683 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -61.8 | -40.9 | 176.9 | -75.9 | 167.9 | -176.6 | -81.7 | -0.8 | 112.2 | R23 G24 S31 | R23-R27 WeakPolarHBondContact O-CB 3.42Å; R23-R27 WeakPolarHBondContact O-CD 3.26Å; R23-R27 WeakPolarHBondContact O-CG 3.49Å; R23-R27 PolarHBondContact O-N 3.09Å; G24-R27 WeakPolarHBondContact O-CB 3.26Å; G24-R27 PolarHBondContact O-N 2.87Å; G24-R27 VanDerWaalsContact O-N 3.17Å; R27-S31 WeakPolarHBondContact O-CB 3.38Å; R27-S31 PolarHBondContact O-N 3.29Å |
| 28 | E | 71 | Confident | 66.9 | Low | 110 Ų | 110 | 92.1 Ų | 92.1 | 51% | 0.514 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.6 | -49.3 | 177.3 | -172.3 | 163.4 | -161 | 0 | 0 | 110.2 | G24 F25 R26 D30 S31 W32 | G24-E28 PolarHBondContact O-N 3.11Å; F25-E28 PolarHBondContact O-N 3.24Å; R26-E28 VanDerWaalsContact C-N 3.32Å; R26-E28 PolarHBondContact O-N 3.03Å; E28-D30 VanDerWaalsContact C-N 3.32Å; E28-D30 PolarHBondContact O-N 2.8Å; E28-S31 WeakPolarHBondContact O-CA 3.45Å; E28-S31 VanDerWaalsContact O-CB 3.28Å; E28-S31 WeakPolarHBondContact O-CB 3.24Å; E28-S31 PolarHBondContact O-N 3.06Å; E28-W32 PolarHBondContact O-N 3.27Å |
| 29 | L | 75.2 | Confident | 67.2 | Low | 67 Ų | 67 | 96.9 Ų | 96.9 | 35% | 0.351 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -56.7 | -43.6 | 176.4 | -154.1 | 87.3 | 0 | 0 | 0 | 112.3 | F25 R26 S31 W32 R33 | F25-L29 HydrophobicContact CE1-CD1 4.32Å; F25-L29 HydrophobicContact CZ-CD1 4.42Å; F25-L29 WeakPolarHBondContact O-CB 3.42Å; F25-L29 PolarHBondContact O-N 3.42Å; R26-L29 PolarHBondContact O-N 2.9Å; L29-S31 VanDerWaalsContact C-N 3.31Å; L29-S31 PolarHBondContact O-N 2.84Å; L29-W32 PolarHBondContact O-N 3.02Å; L29-R33 VanDerWaalsContact O-CG 3.31Å; L29-R33 WeakPolarHBondContact O-CG 3.23Å; L29-R33 PolarHBondContact O-N 3.11Å |
| 30 | D | 66.9 | Low | 67.7 | Low | 57 Ų | 57 | 99.7 Ų | 99.7 | 31% | 0.305 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.8 | -31.1 | 176.3 | -72.3 | -36.8 | 0 | 0 | 0 | 112.5 | R26 E28 R33 H34 | R26-D30 WeakPolarHBondContact CG-OD2 3.13Å; R26-D30 WeakPolarHBondContact O-CB 3.46Å; R26-D30 PolarHBondContact O-N 3.47Å; E28-D30 VanDerWaalsContact C-N 3.32Å; E28-D30 PolarHBondContact O-N 2.8Å; D30-R33 IonicContact OD1-CZ 3.93Å; D30-R33 IonicContact OD1-NH1 2.88Å; D30-R33 PolarHBondContact OD1-NH1 2.85Å; D30-H34 PolarHBondContact O-N 2.98Å; D30-H34 PolarHBondContact O-ND1 3.18Å; D30-H34 VanDerWaalsContact O-ND1 3.13Å |
| 31 | S | 77.4 | Confident | 67.8 | Low | 50 Ų | 50 | 104.6 Ų | 104.6 | 35% | 0.35 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.5 | -41.7 | 172.6 | -164.2 | 0 | 0 | 0 | 0 | 111.6 | R27 E28 L29 R35 | R27-S31 WeakPolarHBondContact O-CB 3.38Å; R27-S31 PolarHBondContact O-N 3.29Å; E28-S31 WeakPolarHBondContact O-CA 3.45Å; E28-S31 VanDerWaalsContact O-CB 3.28Å; E28-S31 WeakPolarHBondContact O-CB 3.24Å; E28-S31 PolarHBondContact O-N 3.06Å; L29-S31 VanDerWaalsContact C-N 3.31Å; L29-S31 PolarHBondContact O-N 2.84Å; S31-R35 WeakPolarHBondContact O-CG 3.47Å; S31-R35 PolarHBondContact O-N 3.31Å; S31-R35 PolarHBondContact OG-NH1 3.45Å; S31-R35 PolarHBondContact OG-NH2 3.03Å |
| 32 | W | 79.3 | Confident | 67.4 | Low | 144 Ų | 144 | 103.7 Ų | 103.7 | 55% | 0.545 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.2 | -40.7 | 174 | -73.5 | 102.6 | 0 | 0 | 0 | 111.9 | E28 L29 R35 L36 | E28-W32 PolarHBondContact O-N 3.27Å; L29-W32 PolarHBondContact O-N 3.02Å; W32-R35 PolarHBondContact O-N 3.49Å; W32-L36 WeakPolarHBondContact O-CB 3.5Å; W32-L36 WeakPolarHBondContact O-CD1 3.44Å; W32-L36 PolarHBondContact O-N 3.22Å |
| 33 | R | 76.9 | Confident | 67.4 | Low | 58 Ų | 58 | 108.5 Ų | 108.5 | 22% | 0.219 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -56.9 | -53.4 | 173.1 | -77 | 171.9 | 175.7 | 155.8 | -5.4 | 111.5 | L29 D30 R35 L36 M37 W50 | L29-R33 VanDerWaalsContact O-CG 3.31Å; L29-R33 WeakPolarHBondContact O-CG 3.23Å; L29-R33 PolarHBondContact O-N 3.11Å; D30-R33 IonicContact OD1-CZ 3.93Å; D30-R33 IonicContact OD1-NH1 2.88Å; D30-R33 PolarHBondContact OD1-NH1 2.85Å; R33-R35 VanDerWaalsContact C-N 3.27Å; R33-R35 PolarHBondContact O-N 3.14Å; R33-L36 WeakPolarHBondContact O-CB 3.5Å; R33-L36 PolarHBondContact O-N 2.85Å; R33-L36 VanDerWaalsContact O-N 3.11Å; R33-M37 WeakPolarHBondContact O-CB 3.49Å; R33-M37 VanDerWaalsContact O-CG 3.23Å; R33-M37 WeakPolarHBondContact O-CG 3.44Å; R33-M37 PolarHBondContact O-N 3.01Å; R33-W50 VanDerWaalsContact NH2-CB 3.33Å |
| 34 | H | 72.9 | Confident | 67.2 | Low | 141 Ų | 141 | 105 Ų | 105 | 65% | 0.653 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.5 | -39 | 178.3 | -73.9 | 133.9 | 0 | 0 | 0 | 112.5 | D30 H38 | D30-H34 PolarHBondContact O-N 2.98Å; D30-H34 PolarHBondContact O-ND1 3.18Å; D30-H34 VanDerWaalsContact O-ND1 3.13Å; H34-H38 VanDerWaalsContact O-CB 3.26Å; H34-H38 WeakPolarHBondContact O-CB 3.47Å; H34-H38 PolarHBondContact O-N 2.94Å |
| 35 | R | 77.4 | Confident | 66.7 | Low | 119 Ų | 119 | 112.4 Ų | 112.4 | 45% | 0.449 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.8 | -43.3 | 174.1 | -78.7 | -171.5 | -74.1 | -87.7 | -1.3 | 112.5 | S31 W32 R33 C39 | S31-R35 WeakPolarHBondContact O-CG 3.47Å; S31-R35 PolarHBondContact O-N 3.31Å; S31-R35 PolarHBondContact OG-NH1 3.45Å; S31-R35 PolarHBondContact OG-NH2 3.03Å; W32-R35 PolarHBondContact O-N 3.49Å; R33-R35 VanDerWaalsContact C-N 3.27Å; R33-R35 PolarHBondContact O-N 3.14Å; R35-C39 VanDerWaalsContact O-CB 3.26Å; R35-C39 WeakPolarHBondContact O-CB 2.77Å; R35-C39 PolarHBondContact O-N 3.34Å |
| 36 | L | 72.3 | Confident | 66.4 | Low | 108 Ų | 108 | 114.6 Ų | 114.6 | 57% | 0.565 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.5 | -50.4 | 177 | -85 | 152.1 | 0 | 0 | 0 | 110.7 | W32 R33 H38 C39 V40 | W32-L36 WeakPolarHBondContact O-CB 3.5Å; W32-L36 WeakPolarHBondContact O-CD1 3.44Å; W32-L36 PolarHBondContact O-N 3.22Å; R33-L36 WeakPolarHBondContact O-CB 3.5Å; R33-L36 PolarHBondContact O-N 2.85Å; R33-L36 VanDerWaalsContact O-N 3.11Å; L36-H38 VanDerWaalsContact C-N 3.29Å; L36-H38 PolarHBondContact O-N 3.47Å; L36-C39 WeakPolarHBondContact O-CA 3.44Å; L36-C39 WeakPolarHBondContact O-CB 3.32Å; L36-C39 PolarHBondContact O-N 2.93Å; L36-V40 WeakPolarHBondContact O-CG2 3.49Å; L36-V40 PolarHBondContact O-N 3.13Å |
| 37 | M | 66.9 | Low | 65.7 | Low | 58 Ų | 58 | 114.8 Ų | 114.8 | 29% | 0.286 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -56.5 | -42.8 | 178 | -66.8 | -47.8 | -53.5 | 0 | 0 | 112.3 | R33 C39 D41 C42 P44 | R33-M37 WeakPolarHBondContact O-CB 3.49Å; R33-M37 VanDerWaalsContact O-CG 3.23Å; R33-M37 WeakPolarHBondContact O-CG 3.44Å; R33-M37 PolarHBondContact O-N 3.01Å; M37-C39 VanDerWaalsContact C-N 3.33Å; M37-D41 PolarHBondContact O-N 3.28Å; M37-C42 WeakPolarHBondContact CE-O 3.28Å; M37-P44 HydrophobicContact CE-CB 3.58Å; M37-P44 HydrophobicContact CE-CG 3.36Å; M37-P44 HydrophobicContact SD-CB 3.92Å; M37-P44 HydrophobicContact SD-CG 3.99Å |
| 38 | H | 67.2 | Low | 64.8 | Low | 155 Ų | 155 | 111.7 Ų | 111.7 | 72% | 0.718 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -70.2 | -27.2 | 175.4 | -175.3 | -66.2 | 0 | 0 | 0 | 112.9 | H34 L36 | H34-H38 VanDerWaalsContact O-CB 3.26Å; H34-H38 WeakPolarHBondContact O-CB 3.47Å; H34-H38 PolarHBondContact O-N 2.94Å; L36-H38 VanDerWaalsContact C-N 3.29Å; L36-H38 PolarHBondContact O-N 3.47Å |
| 39 | C | 63.2 | Low | 63.8 | Low | 104 Ų | 104 | 112.1 Ų | 112.1 | 70% | 0.703 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -78.6 | -28.6 | 179.6 | -163.6 | 0 | 0 | 0 | 0 | 112.4 | R35 L36 M37 | R35-C39 VanDerWaalsContact O-CB 3.26Å; R35-C39 WeakPolarHBondContact O-CB 2.77Å; R35-C39 PolarHBondContact O-N 3.34Å; L36-C39 WeakPolarHBondContact O-CA 3.44Å; L36-C39 WeakPolarHBondContact O-CB 3.32Å; L36-C39 PolarHBondContact O-N 2.93Å; M37-C39 VanDerWaalsContact C-N 3.33Å |
| 40 | V | 67.9 | Low | 62.8 | Low | 85 Ų | 85 | 117.4 Ų | 117.4 | 52% | 0.515 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -100.9 | -3.1 | -177.2 | -73.7 | 0 | 0 | 0 | 0 | 115.2 | L36 C42 | L36-V40 WeakPolarHBondContact O-CG2 3.49Å; L36-V40 PolarHBondContact O-N 3.13Å; V40-C42 HydrophobicContact CB-CB 4.45Å; V40-C42 HydrophobicContact CG2-CB 4.17Å; V40-C42 PolarHBondContact O-N 3.33Å; V40-C42 PolarHBondContact O-SG 3.35Å |
| 41 | D | 58.5 | Low | 61.7 | Low | 155 Ų | 155 | 117.2 Ų | 117.2 | 83% | 0.829 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 46.4 | 19.5 | -176.3 | -77.7 | -51.5 | 0 | 0 | 0 | 114.2 | M37 | M37-D41 PolarHBondContact O-N 3.28Š|
| 42 | C | 49.7 | Very low | 60 | Low | 81 Ų | 81 | 119.6 Ų | 119.6 | 55% | 0.547 | 60% | 0.597 | S | S | . | * | trans | -97.6 | 127.7 | -179.8 | -80.4 | 0 | 0 | 0 | 0 | 107.9 | M37 V40 | M37-C42 WeakPolarHBondContact CE-O 3.28Å; V40-C42 HydrophobicContact CB-CB 4.45Å; V40-C42 HydrophobicContact CG2-CB 4.17Å; V40-C42 PolarHBondContact O-N 3.33Å; V40-C42 PolarHBondContact O-SG 3.35Å | ||
| 43 | E | 57.3 | Low | 58.3 | Low | 187 Ų | 187 | 119.2 Ų | 119.2 | 87% | 0.874 | 61% | 0.606 | S | S | * | * | trans | -66.5 | 135.5 | 160.7 | -89.9 | -132.7 | 106.3 | 0 | 0 | 109 | E45 | E43-E45 PolarHBondContact O-N 3.04Š| ||
| 44 | P | 53.9 | Low | 57.2 | Low | 67 Ų | 67 | 123.6 Ų | 123.6 | 44% | 0.435 | 63% | 0.629 | S | S | . | * | trans | -80.4 | 109.2 | -178.5 | 29.3 | -20.3 | 0 | 0 | 0 | 108 | M37 E46 L47 | M37-P44 HydrophobicContact CE-CB 3.58Å; M37-P44 HydrophobicContact CE-CG 3.36Å; M37-P44 HydrophobicContact SD-CB 3.92Å; M37-P44 HydrophobicContact SD-CG 3.99Å; P44-E46 PolarHBondContact O-N 3.15Å; P44-L47 HydrophobicContact CB-CB 4.41Å | ||
| 45 | E | 56.6 | Low | 56.3 | Low | 193 Ų | 193 | 125.1 Ų | 125.1 | 90% | 0.902 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -62.1 | 107.4 | 165.8 | -167.5 | 152.4 | 102.6 | 0 | 0 | 107.8 | E43 L47 | E43-E45 PolarHBondContact O-N 3.04Å; E45-L47 PolarHBondContact O-N 3Å |
| 46 | E | 53.4 | Low | 55.1 | Low | 186 Ų | 186 | 121.2 Ų | 121.2 | 87% | 0.869 | 62% | 0.624 | S | S | * | * | trans | 14.8 | 73.6 | -177.6 | -58.5 | -146.8 | 118.3 | 0 | 0 | 115.1 | P44 T48 | P44-E46 PolarHBondContact O-N 3.15Å; E46-T48 PolarHBondContact O-N 3.16Å | ||
| 47 | L | 50.8 | Low | 54.2 | Low | 104 Ų | 104 | 121.2 Ų | 121.2 | 55% | 0.545 | 63% | 0.633 | S | S | . | * | trans | -68.6 | 106 | 173.3 | -163.2 | 76.4 | 0 | 0 | 0 | 107.9 | P44 E45 D49 W50 | P44-L47 HydrophobicContact CB-CB 4.41Å; E45-L47 PolarHBondContact O-N 3Å; L47-D49 PolarHBondContact O-N 3Å; L47-D49 VanDerWaalsContact O-N 3.16Å; L47-W50 HydrophobicContact CD1-CZ2 4.43Å; L47-W50 VanDerWaalsContact CD2-NE1 3.3Å | ||
| 48 | T | 47.1 | Very low | 53.4 | Low | 117 Ų | 117 | 125.2 Ų | 125.2 | 72% | 0.718 | 65% | 0.649 | S | S | * | * | trans | -39.5 | 122.3 | 179.7 | -34.7 | 0 | 0 | 0 | 0 | 109.8 | E46 W50 | E46-T48 PolarHBondContact O-N 3.16Å; T48-W50 PolarHBondContact O-N 3.45Å | ||
| 49 | D | 49.3 | Very low | 52.7 | Low | 118 Ų | 118 | 119.5 Ų | 119.5 | 63% | 0.631 | 63% | 0.627 | S | S | * | * | trans | -48.2 | 106.2 | 177.8 | -165.6 | 10 | 0 | 0 | 0 | 107.4 | L47 S51 | L47-D49 PolarHBondContact O-N 3Å; L47-D49 VanDerWaalsContact O-N 3.16Å; D49-S51 PolarHBondContact O-N 2.97Å | ||
| 50 | W | 52.9 | Low | 52 | Low | 178 Ų | 178 | 121.5 Ų | 121.5 | 67% | 0.674 | 63% | 0.63 | S | S | * | * | trans | -73.2 | 44.7 | -178.1 | -55.8 | 78.2 | 0 | 0 | 0 | 110.2 | R33 L47 T48 M52 | R33-W50 VanDerWaalsContact NH2-CB 3.33Å; L47-W50 HydrophobicContact CD1-CZ2 4.43Å; L47-W50 VanDerWaalsContact CD2-NE1 3.3Å; T48-W50 PolarHBondContact O-N 3.45Å; W50-M52 PolarHBondContact O-N 3.35Å | ||
| 51 | S | 44.6 | Very low | 51 | Low | 54 Ų | 54 | 124.5 Ų | 124.5 | 38% | 0.378 | 64% | 0.643 | S | S | . | * | trans | -82 | 110.7 | -172.4 | -161 | 0 | 0 | 0 | 0 | 108.5 | D49 | D49-S51 PolarHBondContact O-N 2.97Š| ||
| 52 | M | 42.6 | Very low | 50.1 | Low | 100 Ų | 100 | 124.5 Ų | 124.5 | 49% | 0.493 | 64% | 0.638 | S | S | . | * | trans | 74.8 | 98.2 | 162.1 | -49.4 | -149.7 | 169.1 | 0 | 0 | 114.7 | A10 W50 E54 | A10-M52 HydrophobicContact CB-SD 4.46Å; W50-M52 PolarHBondContact O-N 3.35Å; M52-E54 PolarHBondContact O-N 3.17Å | ||
| 53 | D | 44 | Very low | 49.9 | Very low | 136 Ų | 136 | 131 Ų | 131 | 73% | 0.727 | 65% | 0.651 | S | S | * | * | trans | -59.5 | 121.5 | 136.5 | -162.3 | -79.5 | 0 | 0 | 0 | 106.9 | K55 | D53-K55 PolarHBondContact O-N 3.03Å; D53-K55 PolarHBondContact OD1-N 2.89Å | ||
| 54 | E | 52 | Low | 49.2 | Very low | 149 Ų | 149 | 131 Ų | 131 | 70% | 0.696 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -68.2 | -2.8 | -172.3 | -63 | -178.4 | 147.1 | 0 | 0 | 112.7 | A6 M52 | A6-E54 WeakPolarHBondContact CB-OE1 3.36Å; M52-E54 PolarHBondContact O-N 3.17Å |
| 55 | K | 55.2 | Low | 49 | Very low | 173 Ų | 173 | 131.8 Ų | 131.8 | 75% | 0.752 | 66% | 0.663 | S | S | * | * | trans | -109.5 | 98.8 | -179.6 | -65.2 | 157.7 | -174.2 | 172.8 | 0 | 110.1 | D53 S57 | D53-K55 PolarHBondContact O-N 3.03Å; D53-K55 PolarHBondContact OD1-N 2.89Å; K55-S57 PolarHBondContact O-N 3.39Å | ||
| 56 | C | 52.6 | Low | 48.4 | Very low | 37 Ų | 37 | 129 Ų | 129 | 25% | 0.25 | 66% | 0.659 | C | S | . | * | trans | -61.6 | 102.8 | 161.6 | 172.7 | 0 | 0 | 0 | 0 | 109.4 | C18 F58 C59 | C18-C56 PolarHBondContact SG-SG 3.46Å; C56-F58 PolarHBondContact O-N 3.29Å; C56-F58 VanDerWaalsContact O-N 3.07Å; C56-C59 HydrophobicContact CB-CB 4.2Å; C56-C59 WeakPolarHBondContact CB-SG 3.31Å; C56-C59 CarbonylContact O-C 3.25Å; C56-C59 VanDerWaalsContact O-C 3.25Å; C56-C59 PolarHBondContact O-N 2.84Å; C56-C59 VanDerWaalsContact O-O 3.09Å; C56-C59 WeakPolarHBondContact SG-CB 3.43Å; C56-C59 PolarHBondContact SG-N 3.36Å; C56-C59 CovalentContact SG-SG 2.05Å; C56-C59 PolarHBondContact SG-SG 2.83Å | ||
| 57 | S | 52.8 | Low | 47.8 | Very low | 109 Ų | 109 | 124.7 Ų | 124.7 | 76% | 0.762 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | -20.4 | 177.2 | 47.4 | 0 | 0 | 0 | 0 | 113.7 | K55 | K55-S57 PolarHBondContact O-N 3.39Š|
| 58 | F | 49.9 | Very low | 47.3 | Very low | 141 Ų | 141 | 127.9 Ų | 127.9 | 62% | 0.618 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -21.9 | 176.7 | -120.3 | -85.4 | 0 | 0 | 0 | 114.5 | E21 C56 | E21-F58 VanDerWaalsContact OE2-CD2 3.3Å; E21-F58 WeakPolarHBondContact OE2-CD2 2.84Å; E21-F58 WeakPolarHBondContact OE2-CE2 3.13Å; C56-F58 PolarHBondContact O-N 3.29Å; C56-F58 VanDerWaalsContact O-N 3.07Å |
| 59 | C | 53.4 | Low | 46.9 | Very low | 36 Ų | 36 | 127.1 Ų | 127.1 | 24% | 0.243 | 67% | 0.665 | C | S | . | * | trans | -125.1 | 82.6 | -179.6 | 47.9 | 0 | 0 | 0 | 0 | 107.9 | C18 C56 L61 | C18-C59 PolarHBondContact SG-SG 3.48Å; C56-C59 HydrophobicContact CB-CB 4.2Å; C56-C59 WeakPolarHBondContact CB-SG 3.31Å; C56-C59 CarbonylContact O-C 3.25Å; C56-C59 VanDerWaalsContact O-C 3.25Å; C56-C59 PolarHBondContact O-N 2.84Å; C56-C59 VanDerWaalsContact O-O 3.09Å; C56-C59 WeakPolarHBondContact SG-CB 3.43Å; C56-C59 PolarHBondContact SG-N 3.36Å; C56-C59 CovalentContact SG-SG 2.05Å; C56-C59 PolarHBondContact SG-SG 2.83Å; C59-L61 PolarHBondContact O-N 2.88Å | ||
| 60 | N | 48 | Very low | 46.5 | Very low | 145 Ų | 145 | 128.9 Ų | 128.9 | 78% | 0.775 | 67% | 0.673 | S | S | * | * | trans | -60 | 61.9 | 165.5 | -75.5 | -44 | 0 | 0 | 0 | 110.4 | Q62 | N60-Q62 PolarHBondContact O-N 3.28Š| ||
| 61 | L | 46.1 | Very low | 45.8 | Very low | 148 Ų | 148 | 126.2 Ų | 126.2 | 78% | 0.775 | 68% | 0.678 | S | S | * | * | trans | -77.4 | 65.1 | 164.1 | -162.6 | 71.2 | 0 | 0 | 0 | 107.1 | C59 R63 | C59-L61 PolarHBondContact O-N 2.88Å; L61-R63 VanDerWaalsContact C-N 3.32Å; L61-R63 PolarHBondContact O-N 2.69Å | ||
| 62 | Q | 39.9 | Very low | 45.4 | Very low | 155 Ų | 155 | 127.8 Ų | 127.8 | 72% | 0.724 | 69% | 0.69 | S | S | * | * | trans | -67.3 | 97.9 | 168.6 | -168.1 | 174.2 | 23.8 | 0 | 0 | 105.5 | N60 E64 | N60-Q62 PolarHBondContact O-N 3.28Å; Q62-E64 VanDerWaalsContact C-N 3.26Å; Q62-E64 PolarHBondContact O-N 2.88Å | ||
| 63 | R | 45.6 | Very low | 45.4 | Very low | 219 Ų | 219 | 130.5 Ų | 130.5 | 83% | 0.826 | 71% | 0.705 | S | S | * | * | trans | 22.4 | 57.4 | 143.5 | -151.4 | -176.8 | 84.4 | -143.2 | 6.8 | 116.4 | L61 A65 | L61-R63 VanDerWaalsContact C-N 3.32Å; L61-R63 PolarHBondContact O-N 2.69Å; R63-A65 VanDerWaalsContact C-N 3.26Å; R63-A65 PolarHBondContact O-N 3.04Å | ||
| 64 | E | 43 | Very low | 44.6 | Very low | 186 Ų | 186 | 131 Ų | 131 | 87% | 0.869 | 71% | 0.708 | S | S | * | * | trans | -91.1 | 72.2 | 169.3 | -141.5 | 109.5 | 95.5 | 0 | 0 | 107.1 | Q62 | Q62-E64 VanDerWaalsContact C-N 3.26Å; Q62-E64 PolarHBondContact O-N 2.88Å | ||
| 65 | A | 49.9 | Very low | 44 | Very low | 83 Ų | 83 | 128.3 Ų | 128.3 | 69% | 0.686 | 71% | 0.705 | S | S | * | * | trans | -160.2 | 55.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | R63 | R63-A65 VanDerWaalsContact C-N 3.26Å; R63-A65 PolarHBondContact O-N 3.04Å | ||
| 66 | V | 44.3 | Very low | 43.2 | Very low | 135 Ų | 135 | 125 Ų | 125 | 82% | 0.818 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -151.5 | 99.1 | 148.7 | -175.7 | 0 | 0 | 0 | 0 | 108.3 | ||
| 67 | S | 39.3 | Very low | 42.7 | Very low | 96 Ų | 96 | 131.9 Ų | 131.9 | 67% | 0.671 | 73% | 0.733 | S | S | * | * | trans | 162.9 | 66.6 | 142.1 | 171.8 | 0 | 0 | 0 | 0 | 110.3 | C69 | S67-C69 PolarHBondContact O-N 2.93Å; S67-C69 VanDerWaalsContact O-N 3.14Å | ||
| 68 | D | 40.8 | Very low | 41.7 | Very low | 170 Ų | 170 | 132.1 Ų | 132.1 | 91% | 0.909 | 73% | 0.734 | S | S | * | * | trans | -76.1 | 85 | 150.3 | -82.4 | -62.8 | 0 | 0 | 0 | 107.3 | ||||
| 69 | C | 39.1 | Very low | 40.8 | Very low | 102 Ų | 102 | 131.8 Ų | 131.8 | 69% | 0.689 | 74% | 0.744 | S | S | * | * | trans | -124.2 | 100 | 161 | -67.1 | 0 | 0 | 0 | 0 | 107 | S67 P71 | S67-C69 PolarHBondContact O-N 2.93Å; S67-C69 VanDerWaalsContact O-N 3.14Å; C69-P71 WeakPolarHBondContact O-CD 3.39Å | ||
| 70 | I | 41.6 | Very low | 40.6 | Very low | 154 Ų | 154 | 135.4 Ų | 135.4 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | trans | -56.4 | 134.5 | 163.2 | -61.1 | -74.7 | 0 | 0 | 0 | 107.8 | ||||
| 71 | P | 37.2 | Very low | 39.7 | Very low | 122 Ų | 122 | 135.4 Ų | 135.4 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | -129 | 126.1 | 119.5 | 28.7 | -15.4 | 0 | 0 | 0 | 111.2 | C69 | C69-P71 WeakPolarHBondContact O-CD 3.39Š| |||
| 72 | S | 36.4 | Very low | 39.7 | Very low | 88 Ų | 88 | 136.5 Ų | 136.5 | 62% | 0.615 | 77% | 0.774 | S | S | * | * | trans | -64.5 | 138.9 | 160.9 | 178.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 73 | L | 41.8 | Very low | 39.6 | Very low | 156 Ų | 156 | 136.4 Ų | 136.4 | 82% | 0.817 | 77% | 0.773 | S | S | * | * | trans | 63.6 | 108.1 | 160.7 | -70.1 | 149 | 0 | 0 | 0 | 117.3 | ||||
| 74 | D | 28.6 | Very low | 39.3 | Very low | 146 Ų | 146 | 132 Ų | 132 | 78% | 0.781 | 77% | 0.765 | S | S | * | * | 179.2 | 129.7 | 92 | -159.1 | -111.4 | 0 | 0 | 0 | 111.5 | |||||
| 75 | S | 37.7 | Very low | 39.4 | Very low | 93 Ų | 93 | 129.3 Ų | 129.3 | 65% | 0.65 | 77% | 0.767 | S | S | * | * | trans | 44.4 | 135.7 | 139.5 | -140 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 76 | S | 39.8 | Very low | 39.3 | Very low | 103 Ų | 103 | 130 Ų | 130 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | trans | 95.2 | 102.1 | 139.8 | -62.2 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 77 | Q | 41.8 | Very low | 39.5 | Very low | 183 Ų | 183 | 131.8 Ų | 131.8 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | 55.3 | 118.7 | 127.6 | -160.7 | 173.7 | 22.7 | 0 | 0 | 120.2 | |||||
| 78 | S | 31.1 | Very low | 39.9 | Very low | 113 Ų | 113 | 130.2 Ų | 130.2 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | 168.9 | 127.5 | 114.9 | -69.2 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 79 | T | 32.4 | Very low | 40.2 | Very low | 135 Ų | 135 | 129.5 Ų | 129.5 | 83% | 0.828 | 76% | 0.756 | S | S | * | * | trans | -84.6 | -179.2 | 158.1 | 52.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 80 | P | 49.4 | Very low | 41.2 | Very low | 112 Ų | 112 | 128 Ų | 128 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | cis | -121.9 | 161.4 | -46.5 | 35.2 | -20.2 | 0 | 0 | 0 | 110.5 | ||||
| 81 | T | 28.6 | Very low | 42.3 | Very low | 145 Ų | 145 | 126.6 Ų | 126.6 | 89% | 0.89 | 74% | 0.737 | S | S | * | * | trans | -148.4 | 126.2 | 162 | -56.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 82 | E | 46.2 | Very low | 44 | Very low | 171 Ų | 171 | 124.2 Ų | 124.2 | 80% | 0.799 | 72% | 0.72 | S | S | * | * | trans | -63.2 | 157.1 | 176.7 | -47.3 | -152.3 | 105.2 | 0 | 0 | 111.5 | ||||
| 83 | E | 38.1 | Very low | 45.9 | Very low | 152 Ų | 152 | 124 Ų | 124 | 71% | 0.71 | 71% | 0.712 | S | S | * | * | 157.5 | 120.6 | 128.6 | -84.5 | -83 | 76.4 | 0 | 0 | 112.2 | |||||
| 84 | L | 38.8 | Very low | 48 | Very low | 127 Ų | 127 | 123.6 Ų | 123.6 | 67% | 0.665 | 70% | 0.703 | S | S | * | * | trans | 75.7 | 86.3 | 141.3 | -54.7 | 170.9 | 0 | 0 | 0 | 119.4 | S86 | L84-S86 PolarHBondContact O-N 3.3Š| ||
| 85 | S | 44 | Very low | 50.6 | Low | 130 Ų | 130 | 121 Ų | 121 | 91% | 0.909 | 69% | 0.688 | S | S | * | * | trans | -82.8 | 88.1 | 150.4 | -173.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 86 | S | 48.4 | Very low | 52.8 | Low | 96 Ų | 96 | 121.6 Ų | 121.6 | 67% | 0.671 | 68% | 0.681 | S | S | * | * | trans | -141.8 | 32.3 | 171.6 | -55.4 | 0 | 0 | 0 | 0 | 112 | L84 | L84-S86 PolarHBondContact O-N 3.3Š| ||
| 87 | Q | 48.3 | Very low | 54.7 | Low | 174 Ų | 174 | 120.5 Ų | 120.5 | 81% | 0.813 | 67% | 0.672 | S | S | * | * | trans | -98.9 | 5 | -173.6 | -155.6 | 175.7 | -70.3 | 0 | 0 | 114.2 | ||||
| 88 | G | 47.2 | Very low | 56.9 | Low | 62 Ų | 62 | 118.6 Ų | 118.6 | 64% | 0.639 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -87.7 | -20.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 89 | Q | 48.8 | Very low | 59.6 | Low | 156 Ų | 156 | 115.5 Ų | 115.5 | 73% | 0.729 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -89 | -43.5 | -172.8 | -69.6 | 178.5 | -46.6 | 0 | 0 | 112.5 | H91 T92 D93 | Q89-H91 VanDerWaalsContact C-N 3.31Å; Q89-H91 PolarHBondContact O-N 3.26Å; Q89-H91 VanDerWaalsContact O-N 3.15Å; Q89-T92 PolarHBondContact O-N 3.07Å; Q89-D93 PolarHBondContact O-N 3.28Å |
| 90 | S | 59.1 | Low | 62.2 | Low | 69 Ų | 69 | 114.8 Ų | 114.8 | 48% | 0.483 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -70.3 | -16.8 | -168.4 | 65.6 | 0 | 0 | 0 | 0 | 116.5 | K94 | S90-K94 WeakPolarHBondContact O-CD 3.48Å; S90-K94 VanDerWaalsContact O-CG 3.31Å; S90-K94 WeakPolarHBondContact O-CG 3.4Å |
| 91 | H | 64.6 | Low | 63.9 | Low | 126 Ų | 126 | 113.4 Ų | 113.4 | 58% | 0.583 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -83.1 | -37.7 | 179.4 | -174.6 | -100.2 | 0 | 0 | 0 | 111.9 | Q89 K94 I95 | Q89-H91 VanDerWaalsContact C-N 3.31Å; Q89-H91 PolarHBondContact O-N 3.26Å; Q89-H91 VanDerWaalsContact O-N 3.15Å; H91-K94 PolarHBondContact O-N 3.24Å; H91-I95 WeakPolarHBondContact CE1-CD1 3.13Å; H91-I95 WeakPolarHBondContact O-CG1 3.31Å; H91-I95 PolarHBondContact O-N 2.99Å |
| 92 | T | 73.5 | Confident | 66.5 | Low | 71 Ų | 71 | 113.7 Ų | 113.7 | 44% | 0.436 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -69.4 | -46.7 | 179 | -50.3 | 0 | 0 | 0 | 0 | 110.5 | Q89 K94 I95 E96 | Q89-T92 PolarHBondContact O-N 3.07Å; T92-K94 PolarHBondContact O-N 3.48Å; T92-I95 PolarHBondContact O-N 3.03Å; T92-E96 WeakPolarHBondContact O-CG 3.4Å; T92-E96 PolarHBondContact O-N 3.23Å |
| 93 | D | 76.3 | Confident | 68.4 | Low | 85 Ų | 85 | 109.7 Ų | 109.7 | 46% | 0.455 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -57.7 | -35.6 | 177.9 | -57.1 | -38.1 | 0 | 0 | 0 | 111.9 | Q89 C97 | Q89-D93 PolarHBondContact O-N 3.28Å; D93-C97 WeakPolarHBondContact O-CB 3.38Å; D93-C97 PolarHBondContact O-N 3.06Å; D93-C97 PolarHBondContact O-SG 3.05Å |
| 94 | K | 84.5 | Confident | 70.5 | Confident | 147 Ų | 147 | 105.5 Ų | 105.5 | 64% | 0.639 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -67.6 | -40.8 | 176.9 | -84.7 | 178.1 | 171.6 | -177.9 | 0 | 112.7 | S90 H91 T92 Q98 | S90-K94 WeakPolarHBondContact O-CD 3.48Å; S90-K94 VanDerWaalsContact O-CG 3.31Å; S90-K94 WeakPolarHBondContact O-CG 3.4Å; H91-K94 PolarHBondContact O-N 3.24Å; T92-K94 PolarHBondContact O-N 3.48Å; K94-Q98 WeakPolarHBondContact O-CB 3.46Å; K94-Q98 PolarHBondContact O-N 3.39Å |
| 95 | I | 83.3 | Confident | 72.5 | Confident | 90 Ų | 90 | 103 Ų | 103 | 46% | 0.462 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -68.7 | -40.4 | 178.6 | -67.6 | 167.6 | 0 | 0 | 0 | 109.9 | H91 T92 Q98 A99 | H91-I95 WeakPolarHBondContact CE1-CD1 3.13Å; H91-I95 WeakPolarHBondContact O-CG1 3.31Å; H91-I95 PolarHBondContact O-N 2.99Å; T92-I95 PolarHBondContact O-N 3.03Å; I95-Q98 PolarHBondContact O-N 3.18Å; I95-A99 WeakPolarHBondContact O-CB 3.41Å; I95-A99 PolarHBondContact O-N 3.3Å |
| 96 | E | 83.8 | Confident | 73.8 | Confident | 107 Ų | 107 | 101.3 Ų | 101.3 | 50% | 0.5 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.6 | -50 | 176.1 | -70.1 | 177.9 | 171.3 | 0 | 0 | 111.1 | T92 Q98 A99 E100 | T92-E96 WeakPolarHBondContact O-CG 3.4Å; T92-E96 PolarHBondContact O-N 3.23Å; E96-Q98 PolarHBondContact O-N 2.96Å; E96-A99 PolarHBondContact O-N 3.21Å; E96-A99 VanDerWaalsContact O-N 3.16Å; E96-E100 WeakPolarHBondContact O-CG 3.49Å; E96-E100 PolarHBondContact O-N 3.23Å |
| 97 | C | 80.8 | Confident | 74.8 | Confident | 79 Ų | 79 | 102.7 Ų | 102.7 | 53% | 0.534 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -57.8 | -37.1 | 174.9 | -70 | 0 | 0 | 0 | 0 | 112.6 | D93 S101 | D93-C97 WeakPolarHBondContact O-CB 3.38Å; D93-C97 PolarHBondContact O-N 3.06Å; D93-C97 PolarHBondContact O-SG 3.05Å; C97-S101 WeakPolarHBondContact O-CB 3.47Å; C97-S101 PolarHBondContact O-N 3.39Å; C97-S101 VanDerWaalsContact O-N 3.09Å |
| 98 | Q | 87.7 | Confident | 75.3 | Confident | 143 Ų | 143 | 103.5 Ų | 103.5 | 67% | 0.668 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -70.8 | -41 | 179.1 | -172.5 | 173.2 | 8.8 | 0 | 0 | 111.8 | K94 I95 E96 S101 Y102 | K94-Q98 WeakPolarHBondContact O-CB 3.46Å; K94-Q98 PolarHBondContact O-N 3.39Å; I95-Q98 PolarHBondContact O-N 3.18Å; E96-Q98 PolarHBondContact O-N 2.96Å; Q98-S101 PolarHBondContact O-N 3.43Å; Q98-Y102 WeakPolarHBondContact O-CB 3.2Å; Q98-Y102 PolarHBondContact O-N 3.26Å; Q98-Y102 VanDerWaalsContact O-N 3.11Å |
| 99 | A | 88.7 | Confident | 75.6 | Confident | 48 Ų | 48 | 109.9 Ų | 109.9 | 40% | 0.397 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64 | -44.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | I95 E96 S101 Y102 L103 | I95-A99 WeakPolarHBondContact O-CB 3.41Å; I95-A99 PolarHBondContact O-N 3.3Å; E96-A99 PolarHBondContact O-N 3.21Å; E96-A99 VanDerWaalsContact O-N 3.16Å; A99-S101 PolarHBondContact O-N 3.32Å; A99-Y102 PolarHBondContact O-N 3.17Å; A99-L103 WeakPolarHBondContact O-CB 3.19Å; A99-L103 VanDerWaalsContact O-CG 3.24Å; A99-L103 WeakPolarHBondContact O-CG 3.3Å; A99-L103 PolarHBondContact O-N 3.5Å |
| 100 | E | 85.9 | Confident | 75.7 | Confident | 121 Ų | 121 | 109.5 Ų | 109.5 | 57% | 0.565 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -60.8 | -42.1 | 177.1 | -74.6 | -178.8 | 165.1 | 0 | 0 | 112.6 | E96 N104 | E96-E100 WeakPolarHBondContact O-CG 3.49Å; E96-E100 PolarHBondContact O-N 3.23Å; E100-N104 WeakPolarHBondContact O-CB 3.23Å; E100-N104 PolarHBondContact O-N 3.02Å; E100-N104 PolarHBondContact O-ND2 2.94Å |
| 101 | S | 85.8 | Confident | 75.3 | Confident | 82 Ų | 82 | 113.5 Ų | 113.5 | 57% | 0.573 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64 | -43 | 177 | -177.8 | 0 | 0 | 0 | 0 | 111.8 | C97 Q98 A99 N104 A105 | C97-S101 WeakPolarHBondContact O-CB 3.47Å; C97-S101 PolarHBondContact O-N 3.39Å; C97-S101 VanDerWaalsContact O-N 3.09Å; Q98-S101 PolarHBondContact O-N 3.43Å; A99-S101 PolarHBondContact O-N 3.32Å; S101-N104 PolarHBondContact O-N 2.87Å; S101-A105 WeakPolarHBondContact O-CB 3.33Å; S101-A105 PolarHBondContact O-N 3.21Å |
| 102 | Y | 83.2 | Confident | 74.6 | Confident | 152 Ų | 152 | 112.3 Ų | 112.3 | 60% | 0.596 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64.3 | -48.6 | 177.4 | 178.4 | -101.9 | 0 | 0 | 0 | 112 | Q98 A99 N104 A105 L106 | Q98-Y102 WeakPolarHBondContact O-CB 3.2Å; Q98-Y102 PolarHBondContact O-N 3.26Å; Q98-Y102 VanDerWaalsContact O-N 3.11Å; A99-Y102 PolarHBondContact O-N 3.17Å; Y102-N104 PolarHBondContact O-N 2.7Å; Y102-A105 WeakPolarHBondContact O-CB 3.29Å; Y102-A105 PolarHBondContact O-N 3.17Å; Y102-A105 VanDerWaalsContact O-N 3.14Å; Y102-L106 HydrophobicContact CD1-CD1 3.88Å; Y102-L106 HydrophobicContact CE1-CD1 3.32Å; Y102-L106 HydrophobicContact CE1-CG 4.26Å; Y102-L106 HydrophobicContact CE2-CD1 4.39Å; Y102-L106 WeakPolarHBondContact O-CG 2.92Å; Y102-L106 PolarHBondContact O-N 3.42Å |
| 103 | L | 85.5 | Confident | 73.3 | Confident | 87 Ų | 87 | 113.9 Ų | 113.9 | 46% | 0.455 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.5 | -44.2 | 177.1 | -66.5 | 170.7 | 0 | 0 | 0 | 110.4 | A99 A105 L106 F107 | A99-L103 WeakPolarHBondContact O-CB 3.19Å; A99-L103 VanDerWaalsContact O-CG 3.24Å; A99-L103 WeakPolarHBondContact O-CG 3.3Å; A99-L103 PolarHBondContact O-N 3.5Å; L103-A105 VanDerWaalsContact C-N 3.32Å; L103-A105 PolarHBondContact O-N 2.05Å; L103-L106 PolarHBondContact O-N 3.11Å; L103-L106 VanDerWaalsContact O-N 3.09Å; L103-F107 HydrophobicContact CB-CD2 4.14Å; L103-F107 HydrophobicContact CB-CE2 4.4Å; L103-F107 HydrophobicContact CD2-CD2 4.42Å; L103-F107 HydrophobicContact CD2-CE2 3.84Å; L103-F107 WeakPolarHBondContact O-CB 3.24Å; L103-F107 WeakPolarHBondContact O-CD2 3.48Å; L103-F107 PolarHBondContact O-N 3.11Å |
| 104 | N | 81.7 | Confident | 72.4 | Confident | 63 Ų | 63 | 118.9 Ų | 118.9 | 34% | 0.337 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -57.1 | -45.7 | 172.9 | -85.4 | -61.6 | 0 | 0 | 0 | 111.1 | E100 S101 Y102 L106 F107 R108 | E100-N104 WeakPolarHBondContact O-CB 3.23Å; E100-N104 PolarHBondContact O-N 3.02Å; E100-N104 PolarHBondContact O-ND2 2.94Å; S101-N104 PolarHBondContact O-N 2.87Å; Y102-N104 PolarHBondContact O-N 2.7Å; N104-L106 PolarHBondContact O-N 3.44Å; N104-F107 PolarHBondContact O-N 3.24Å; N104-R108 HydrophobicContact CB-CG 3.98Å; N104-R108 WeakPolarHBondContact O-CA 3.45Å; N104-R108 WeakPolarHBondContact O-CB 3.45Å; N104-R108 WeakPolarHBondContact O-CG 3.29Å; N104-R108 PolarHBondContact O-N 3Å; N104-R108 PolarHBondContact OD1-NH2 3.16Å |
| 105 | A | 81.1 | Confident | 70.7 | Confident | 76 Ų | 76 | 118.9 Ų | 118.9 | 63% | 0.628 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -60.1 | -32.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | S101 Y102 L103 | S101-A105 WeakPolarHBondContact O-CB 3.33Å; S101-A105 PolarHBondContact O-N 3.21Å; Y102-A105 WeakPolarHBondContact O-CB 3.29Å; Y102-A105 PolarHBondContact O-N 3.17Å; Y102-A105 VanDerWaalsContact O-N 3.14Å; L103-A105 VanDerWaalsContact C-N 3.32Å; L103-A105 PolarHBondContact O-N 2.05Å |
| 106 | L | 72.6 | Confident | 69.1 | Low | 94 Ų | 94 | 117.6 Ų | 117.6 | 49% | 0.492 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -77.6 | -41.1 | 176 | -65.9 | 177.8 | 0 | 0 | 0 | 113.1 | Y102 L103 N104 | Y102-L106 HydrophobicContact CD1-CD1 3.88Å; Y102-L106 HydrophobicContact CE1-CD1 3.32Å; Y102-L106 HydrophobicContact CE1-CG 4.26Å; Y102-L106 HydrophobicContact CE2-CD1 4.39Å; Y102-L106 WeakPolarHBondContact O-CG 2.92Å; Y102-L106 PolarHBondContact O-N 3.42Å; L103-L106 PolarHBondContact O-N 3.11Å; L103-L106 VanDerWaalsContact O-N 3.09Å; N104-L106 PolarHBondContact O-N 3.44Å |
| 107 | F | 68.9 | Low | 67.7 | Low | 125 Ų | 125 | 116.6 Ų | 116.6 | 55% | 0.548 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -96.7 | -21.8 | -171.4 | -68.7 | -71.7 | 0 | 0 | 0 | 114.5 | L103 N104 K109 K110 | L103-F107 HydrophobicContact CB-CD2 4.14Å; L103-F107 HydrophobicContact CB-CE2 4.4Å; L103-F107 HydrophobicContact CD2-CD2 4.42Å; L103-F107 HydrophobicContact CD2-CE2 3.84Å; L103-F107 WeakPolarHBondContact O-CB 3.24Å; L103-F107 WeakPolarHBondContact O-CD2 3.48Å; L103-F107 PolarHBondContact O-N 3.11Å; N104-F107 PolarHBondContact O-N 3.24Å; F107-K109 PolarHBondContact O-N 2.7Å; F107-K110 PolarHBondContact O-N 2.86Å; F107-K110 VanDerWaalsContact O-N 3.1Å |
| 108 | R | 58.7 | Low | 66.7 | Low | 190 Ų | 190 | 118.9 Ų | 118.9 | 72% | 0.717 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | -17 | 178.3 | -72.7 | -113.9 | -164 | -114.3 | -5.3 | 113.5 | N104 | N104-R108 HydrophobicContact CB-CG 3.98Å; N104-R108 WeakPolarHBondContact O-CA 3.45Å; N104-R108 WeakPolarHBondContact O-CB 3.45Å; N104-R108 WeakPolarHBondContact O-CG 3.29Å; N104-R108 PolarHBondContact O-N 3Å; N104-R108 PolarHBondContact OD1-NH2 3.16Å |
| 109 | K | 53.8 | Low | 65.4 | Low | 196 Ų | 196 | 118.5 Ų | 118.5 | 85% | 0.852 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.9 | 9 | -177.9 | -126.9 | 176.8 | -179.4 | 175.5 | 0 | 113.8 | F107 | F107-K109 PolarHBondContact O-N 2.7Š|
| 110 | K | 50.6 | Low | 64.2 | Low | 148 Ų | 148 | 119.6 Ų | 119.6 | 64% | 0.643 | 61% | 0.614 | S | S | * | * | trans | -106 | 74.3 | 170 | -154.6 | 94.8 | 168.5 | -169 | 0 | 107.1 | F107 L112 | F107-K110 PolarHBondContact O-N 2.86Å; F107-K110 VanDerWaalsContact O-N 3.1Å; K110-L112 VanDerWaalsContact C-N 3.32Å; K110-L112 PolarHBondContact O-N 3.44Å | ||
| 111 | D | 49.4 | Very low | 62.8 | Low | 154 Ų | 154 | 118.1 Ų | 118.1 | 82% | 0.824 | 62% | 0.616 | S | S | * | * | trans | -57.1 | 107.5 | 155 | -73.8 | -70.6 | 0 | 0 | 0 | 105.8 | ||||
| 112 | L | 50.6 | Low | 61.5 | Low | 100 Ų | 100 | 120.9 Ų | 120.9 | 52% | 0.524 | 62% | 0.623 | S | S | . | * | trans | -55.4 | 134.1 | 178.3 | -86.1 | 75.8 | 0 | 0 | 0 | 108 | K110 Q114 | K110-L112 VanDerWaalsContact C-N 3.32Å; K110-L112 PolarHBondContact O-N 3.44Å; L112-Q114 PolarHBondContact O-N 3.37Å | ||
| 113 | P | 47.2 | Very low | 60.2 | Low | 105 Ų | 105 | 119.1 Ų | 119.1 | 68% | 0.682 | 63% | 0.628 | S | S | * | * | trans | -58.3 | 118.6 | 164.5 | 23.8 | -28.8 | 0 | 0 | 0 | 107.5 | N115 | P113-N115 PolarHBondContact O-N 3.18Š| ||
| 114 | Q | 56.6 | Low | 58.9 | Low | 190 Ų | 190 | 116.9 Ų | 116.9 | 89% | 0.888 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -69.9 | 57.2 | 178.8 | -157.8 | 172.8 | 35.2 | 0 | 0 | 110.2 | L112 | L112-Q114 PolarHBondContact O-N 3.37Š|
| 115 | N | 49.3 | Very low | 57.8 | Low | 147 Ų | 147 | 117.4 Ų | 117.4 | 79% | 0.786 | 62% | 0.622 | S | S | * | * | trans | -158.2 | 78.6 | 176.8 | -116.9 | -90.5 | 0 | 0 | 0 | 107.7 | P113 D117 | P113-N115 PolarHBondContact O-N 3.18Å; N115-D117 PolarHBondContact O-N 2.98Å | ||
| 116 | C | 49.3 | Very low | 56.5 | Low | 62 Ų | 62 | 122 Ų | 122 | 42% | 0.419 | 63% | 0.63 | S | S | . | * | trans | -76.2 | 117.3 | 167.2 | -63.5 | 0 | 0 | 0 | 0 | 107.1 | Q125 | C116-Q125 VanDerWaalsContact CB-NE2 3.3Å; C116-Q125 PolarHBondContact SG-NE2 3.14Å | ||
| 117 | D | 53.7 | Low | 55.8 | Low | 87 Ų | 87 | 124.5 Ų | 124.5 | 47% | 0.465 | 64% | 0.644 | S | S | . | * | trans | -55.2 | 127 | 172.2 | -171.3 | -45.3 | 0 | 0 | 0 | 108.7 | N115 N119 I120 | N115-D117 PolarHBondContact O-N 2.98Å; D117-N119 PolarHBondContact O-N 3.31Å; D117-N119 WeakPolarHBondContact OD1-CB 3.43Å; D117-N119 PolarHBondContact OD1-N 2.97Å; D117-N119 PolarHBondContact OD1-ND2 3.29Å; D117-I120 HydrophobicContact CB-CD1 4.05Å; D117-I120 HydrophobicContact CB-CG1 4.2Å; D117-I120 PolarHBondContact O-N 3.14Å; D117-I120 VanDerWaalsContact O-N 3.09Å | ||
| 118 | P | 59.7 | Low | 54.8 | Low | 127 Ų | 127 | 125.5 Ų | 125.5 | 83% | 0.825 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | -4 | -175.7 | 25.2 | -34.1 | 0 | 0 | 0 | 114.2 | ||
| 119 | N | 61.9 | Low | 54.6 | Low | 135 Ų | 135 | 122.3 Ų | 122.3 | 72% | 0.722 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | -5 | 176.2 | -62.7 | -80.9 | 0 | 0 | 0 | 114.4 | D117 P121 | D117-N119 PolarHBondContact O-N 3.31Å; D117-N119 WeakPolarHBondContact OD1-CB 3.43Å; D117-N119 PolarHBondContact OD1-N 2.97Å; D117-N119 PolarHBondContact OD1-ND2 3.29Å; N119-P121 WeakPolarHBondContact O-CD 3.34Å |
| 120 | I | 62.4 | Low | 54.6 | Low | 70 Ų | 70 | 118.4 Ų | 118.4 | 36% | 0.359 | 64% | 0.638 | S | S | . | * | S | Bend | trans | -80.8 | 120.6 | 177.1 | -61 | 171.3 | 0 | 0 | 0 | 108.5 | D117 L122 A124 | D117-I120 HydrophobicContact CB-CD1 4.05Å; D117-I120 HydrophobicContact CB-CG1 4.2Å; D117-I120 PolarHBondContact O-N 3.14Å; D117-I120 VanDerWaalsContact O-N 3.09Å; I120-L122 PolarHBondContact O-N 3.27Å; I120-A124 HydrophobicContact CG2-CB 3.81Å |
| 121 | P | 57.3 | Low | 54.9 | Low | 91 Ų | 91 | 116.7 Ų | 116.7 | 59% | 0.591 | 64% | 0.637 | S | S | * | * | trans | -59.3 | 138.9 | 178.3 | -20.1 | 31 | 0 | 0 | 0 | 110.5 | N119 V123 A124 | N119-P121 WeakPolarHBondContact O-CD 3.34Å; P121-V123 PolarHBondContact O-N 2.99Å; P121-A124 WeakPolarHBondContact O-CB 3.48Å; P121-A124 PolarHBondContact O-N 3.44Å | ||
| 122 | L | 57.1 | Low | 55.2 | Low | 140 Ų | 140 | 114.5 Ų | 114.5 | 73% | 0.733 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -50.1 | -33.3 | -178.8 | -67.4 | 169.2 | 0 | 0 | 0 | 113.1 | I120 A124 Q125 | I120-L122 PolarHBondContact O-N 3.27Å; L122-A124 VanDerWaalsContact C-N 3.29Å; L122-A124 PolarHBondContact O-N 3.46Å; L122-Q125 WeakPolarHBondContact O-CB 3.37Å; L122-Q125 PolarHBondContact O-N 3.32Å; L122-Q125 VanDerWaalsContact O-N 3.14Å |
| 123 | V | 57.2 | Low | 55.5 | Low | 115 Ų | 115 | 115.4 Ų | 115.4 | 70% | 0.697 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -59.1 | -35 | 174.5 | 159.9 | 0 | 0 | 0 | 0 | 113.4 | P121 Q125 | P121-V123 PolarHBondContact O-N 2.99Å; V123-Q125 VanDerWaalsContact C-N 3.34Å |
| 124 | A | 58.8 | Low | 56 | Low | 39 Ų | 39 | 116.1 Ų | 116.1 | 32% | 0.322 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -82.8 | -15.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | I120 P121 L122 | I120-A124 HydrophobicContact CG2-CB 3.81Å; P121-A124 WeakPolarHBondContact O-CB 3.48Å; P121-A124 PolarHBondContact O-N 3.44Å; L122-A124 VanDerWaalsContact C-N 3.29Å; L122-A124 PolarHBondContact O-N 3.46Å |
| 125 | Q | 57 | Low | 56 | Low | 74 Ų | 74 | 110.9 Ų | 110.9 | 35% | 0.346 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -78.4 | -25.4 | 178.8 | -152.1 | 173.9 | 9.2 | 0 | 0 | 112 | C116 L122 V123 L127 | C116-Q125 VanDerWaalsContact CB-NE2 3.3Å; C116-Q125 PolarHBondContact SG-NE2 3.14Å; L122-Q125 WeakPolarHBondContact O-CB 3.37Å; L122-Q125 PolarHBondContact O-N 3.32Å; L122-Q125 VanDerWaalsContact O-N 3.14Å; V123-Q125 VanDerWaalsContact C-N 3.34Å; Q125-L127 VanDerWaalsContact C-N 3.26Å; Q125-L127 PolarHBondContact O-N 3.18Å |
| 126 | E | 54.7 | Low | 56.5 | Low | 172 Ų | 172 | 108.1 Ų | 108.1 | 80% | 0.804 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | -3.4 | 179.4 | -150.5 | 154.2 | -159.2 | 0 | 0 | 112.9 | ||
| 127 | L | 57.7 | Low | 57.1 | Low | 148 Ų | 148 | 111.9 Ų | 111.9 | 78% | 0.775 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.5 | -1.5 | -179.3 | -66.8 | 173.6 | 0 | 0 | 0 | 114.1 | Q125 | Q125-L127 VanDerWaalsContact C-N 3.26Å; Q125-L127 PolarHBondContact O-N 3.18Å |
| 128 | M | 47.8 | Very low | 57.4 | Low | 145 Ų | 145 | 114.2 Ų | 114.2 | 71% | 0.714 | 63% | 0.626 | S | S | * | * | trans | -110.4 | 0 | 179.8 | -72.2 | -166.9 | -67.7 | 0 | 0 | 112 |
Retrieved 128 of 128 residues in 58 ms
(Link to these results)