| 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 | 69.6 | Low | 92 | Very high | 240 Ų | 240 | 102.8 Ų | 102.8 | 100% | 1.182 | 53% | 0.527 | S | S | * | . | 0 | 126.2 | 0 | -171.8 | 167.8 | 170.6 | 0 | 0 | 107.6 | |||||
| 2 | F | 84.1 | Confident | 92.5 | Very high | 98 Ų | 98 | 98 Ų | 98 | 43% | 0.43 | 50% | 0.501 | S | S | . | . | trans | -75 | 131.7 | 180 | -55.8 | -74.9 | 0 | 0 | 0 | 109.6 | T4 F8 H11 | F2-T4 VanDerWaalsContact C-N 3.34Å; F2-F8 HydrophobicContact CB-CB 3.9Å; F2-F8 HydrophobicContact CD1-CB 4.3Å; F2-F8 HydrophobicContact CD1-CD2 4.4Å; F2-F8 HydrophobicContact CD2-CB 4.11Å; F2-F8 AromaticContact CD2-CD2 3.39Å; F2-F8 HydrophobicContact CD2-CD2 3.39Å; F2-F8 HydrophobicContact CD2-CE2 4.2Å; F2-F8 HydrophobicContact CD2-CG 4.13Å; F2-F8 HydrophobicContact CE1-CD2 4.4Å; F2-F8 AromaticContact CE2-CD2 3.4Å; F2-F8 HydrophobicContact CE2-CD2 3.4Å; F2-F8 AromaticContact CE2-CE2 3.88Å; F2-F8 HydrophobicContact CE2-CE2 3.88Å; F2-F8 HydrophobicContact CG-CB 3.83Å; F2-F8 AromaticContact CG-CD2 3.92Å; F2-F8 HydrophobicContact CG-CD2 3.92Å; F2-F8 HydrophobicContact CG-CG 4.35Å; F2-F8 AromaticContact CZ-CD2 3.93Å; F2-F8 HydrophobicContact CZ-CD2 3.93Å; F2-F8 HydrophobicContact CZ-CE2 4.47Å; F2-H11 HydrophobicContact CD1-CB 4.29Å; F2-H11 HydrophobicContact CE1-CB 3.47Å; F2-H11 VanDerWaalsContact CE1-CB 3.47Å; F2-H11 AromaticContact CE1-CD2 3.71Å; F2-H11 AromaticContact CE1-CG 3.48Å; F2-H11 VanDerWaalsContact CE1-CG 3.48Å; F2-H11 HydrophobicContact CZ-CB 4.06Å; F2-H11 AromaticContact CZ-CD2 3.41Å; F2-H11 VanDerWaalsContact CZ-CD2 3.41Å; F2-H11 WeakPolarHBondContact CZ-CD2 3.37Å; F2-H11 AromaticContact CZ-CG 3.72Å; F2-H11 AromaticContact CZ-NE2 3.98Å | ||
| 3 | S | 86.9 | Confident | 92.9 | Very high | 104 Ų | 104 | 92.4 Ų | 92.4 | 73% | 0.727 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -79.1 | -20.5 | -176.7 | 52.8 | 0 | 0 | 0 | 0 | 112.8 | T7 | S3-T7 PolarHBondContact N-OG1 2.94Š|
| 4 | T | 96.1 | Very high | 93.3 | Very high | 65 Ų | 65 | 93.6 Ų | 93.6 | 40% | 0.399 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -150.2 | 161.2 | -177.1 | 66.7 | 0 | 0 | 0 | 0 | 111.5 | F2 S6 T7 F8 | F2-T4 VanDerWaalsContact C-N 3.34Å; T4-S6 PolarHBondContact O-N 3.17Å; T4-S6 PolarHBondContact OG1-N 3.5Å; T4-S6 PolarHBondContact OG1-OG 2.96Å; T4-T7 PolarHBondContact N-OG1 2.84Å; T4-T7 PolarHBondContact O-N 3.33Å; T4-T7 PolarHBondContact O-OG1 2.92Å; T4-T7 WeakPolarHBondContact OG1-CG2 3.46Å; T4-T7 PolarHBondContact OG1-N 3.25Å; T4-T7 PolarHBondContact OG1-OG1 3.1Å; T4-F8 PolarHBondContact O-N 3.07Å |
| 5 | L | 94.7 | Very high | 93.6 | Very high | 109 Ų | 109 | 95.5 Ų | 95.5 | 57% | 0.571 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -61.2 | -29.8 | 171.1 | -179.9 | 60.8 | 0 | 0 | 0 | 112.5 | F8 R9 | L5-F8 HydrophobicContact CD1-CD1 4.43Å; L5-R9 HydrophobicContact CD1-CG 4.37Å; L5-R9 WeakPolarHBondContact O-CB 3.36Å; L5-R9 WeakPolarHBondContact O-CG 3.32Å; L5-R9 PolarHBondContact O-N 2.8Å; L5-R9 PolarHBondContact O-NE 3.42Å |
| 6 | S | 95.5 | Very high | 93.8 | Very high | 77 Ų | 77 | 94.8 Ų | 94.8 | 54% | 0.538 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -72.1 | -41.7 | 176.8 | 57.2 | 0 | 0 | 0 | 0 | 112.1 | T4 F8 R9 K10 | T4-S6 PolarHBondContact O-N 3.17Å; T4-S6 PolarHBondContact OG1-N 3.5Å; T4-S6 PolarHBondContact OG1-OG 2.96Å; S6-F8 VanDerWaalsContact C-N 3.34Å; S6-R9 PolarHBondContact O-N 2.95Å; S6-K10 VanDerWaalsContact O-CB 3.3Å; S6-K10 WeakPolarHBondContact O-CB 2.79Å; S6-K10 PolarHBondContact O-N 3.33Å |
| 7 | T | 97 | Very high | 94.1 | Very high | 54 Ų | 54 | 89.2 Ų | 89.2 | 33% | 0.331 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -66.6 | -38.2 | 176.7 | 50.4 | 0 | 0 | 0 | 0 | 111.4 | S3 T4 H11 | S3-T7 PolarHBondContact N-OG1 2.94Å; T4-T7 PolarHBondContact N-OG1 2.84Å; T4-T7 PolarHBondContact O-N 3.33Å; T4-T7 PolarHBondContact O-OG1 2.92Å; T4-T7 WeakPolarHBondContact OG1-CG2 3.46Å; T4-T7 PolarHBondContact OG1-N 3.25Å; T4-T7 PolarHBondContact OG1-OG1 3.1Å; T7-H11 PolarHBondContact O-N 2.97Å |
| 8 | F | 97 | Very high | 94.3 | Very high | 83 Ų | 83 | 89.6 Ų | 89.6 | 36% | 0.364 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.3 | -54.2 | 171.5 | 177.2 | -120 | 0 | 0 | 0 | 112.1 | F2 T4 L5 S6 K10 H11 E12 | F2-F8 HydrophobicContact CB-CB 3.9Å; F2-F8 HydrophobicContact CD1-CB 4.3Å; F2-F8 HydrophobicContact CD1-CD2 4.4Å; F2-F8 HydrophobicContact CD2-CB 4.11Å; F2-F8 AromaticContact CD2-CD2 3.39Å; F2-F8 HydrophobicContact CD2-CD2 3.39Å; F2-F8 HydrophobicContact CD2-CE2 4.2Å; F2-F8 HydrophobicContact CD2-CG 4.13Å; F2-F8 HydrophobicContact CE1-CD2 4.4Å; F2-F8 AromaticContact CE2-CD2 3.4Å; F2-F8 HydrophobicContact CE2-CD2 3.4Å; F2-F8 AromaticContact CE2-CE2 3.88Å; F2-F8 HydrophobicContact CE2-CE2 3.88Å; F2-F8 HydrophobicContact CG-CB 3.83Å; F2-F8 AromaticContact CG-CD2 3.92Å; F2-F8 HydrophobicContact CG-CD2 3.92Å; F2-F8 HydrophobicContact CG-CG 4.35Å; F2-F8 AromaticContact CZ-CD2 3.93Å; F2-F8 HydrophobicContact CZ-CD2 3.93Å; F2-F8 HydrophobicContact CZ-CE2 4.47Å; T4-F8 PolarHBondContact O-N 3.07Å; L5-F8 HydrophobicContact CD1-CD1 4.43Å; S6-F8 VanDerWaalsContact C-N 3.34Å; F8-K10 VanDerWaalsContact C-N 3.28Å; F8-K10 PolarHBondContact O-N 3.37Å; F8-H11 WeakPolarHBondContact O-CB 3.42Å; F8-H11 PolarHBondContact O-N 2.92Å; F8-H11 VanDerWaalsContact O-N 3.09Å; F8-E12 HydrophobicContact CD2-CG 4.06Å; F8-E12 HydrophobicContact CE1-CG 4.15Å; F8-E12 HydrophobicContact CE2-CG 3.59Å; F8-E12 WeakPolarHBondContact CE2-OE1 3.16Å; F8-E12 HydrophobicContact CZ-CG 3.64Å; F8-E12 WeakPolarHBondContact O-CG 3.26Å; F8-E12 PolarHBondContact O-N 2.88Å |
| 9 | R | 97.1 | Very high | 94.5 | Very high | 117 Ų | 117 | 90.6 Ų | 90.6 | 44% | 0.442 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.4 | -38.2 | 179.8 | -77.9 | -172.7 | -85.3 | 177.6 | -8 | 112.6 | L5 S6 E12 F13 F33 | L5-R9 HydrophobicContact CD1-CG 4.37Å; L5-R9 WeakPolarHBondContact O-CB 3.36Å; L5-R9 WeakPolarHBondContact O-CG 3.32Å; L5-R9 PolarHBondContact O-N 2.8Å; L5-R9 PolarHBondContact O-NE 3.42Å; S6-R9 PolarHBondContact O-N 2.95Å; R9-E12 PolarHBondContact O-N 3.45Å; R9-F13 PolarHBondContact O-N 3.42Å; R9-F33 HydrophobicContact CB-CE1 4.14Å; R9-F33 HydrophobicContact CB-CE2 4.39Å; R9-F33 HydrophobicContact CB-CZ 3.72Å; R9-F33 HydrophobicContact CG-CE1 3.84Å; R9-F33 HydrophobicContact CG-CZ 3.95Å; R9-F33 WeakPolarHBondContact O-CZ 3.26Å |
| 10 | K | 96.9 | Very high | 94.6 | Very high | 121 Ų | 121 | 87.7 Ų | 87.7 | 53% | 0.526 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -59.1 | -49.4 | 174 | -177.3 | 179.3 | 176.2 | -178.5 | 0 | 110.9 | S6 F8 E12 F13 E14 | S6-K10 VanDerWaalsContact O-CB 3.3Å; S6-K10 WeakPolarHBondContact O-CB 2.79Å; S6-K10 PolarHBondContact O-N 3.33Å; F8-K10 VanDerWaalsContact C-N 3.28Å; F8-K10 PolarHBondContact O-N 3.37Å; K10-E12 PolarHBondContact O-N 2.66Å; K10-F13 PolarHBondContact O-N 2.89Å; K10-E14 WeakPolarHBondContact CE-OE1 3.31Å; K10-E14 VanDerWaalsContact CE-OE2 3.28Å; K10-E14 WeakPolarHBondContact CE-OE2 3.43Å; K10-E14 HydrophobicContact CG-CG 4.3Å; K10-E14 IonicContact NZ-OE1 3.52Å; K10-E14 WeakPolarHBondContact O-CB 3.45Å; K10-E14 WeakPolarHBondContact O-CG 3.15Å; K10-E14 PolarHBondContact O-N 2.92Å |
| 11 | H | 97.2 | Very high | 94.7 | Very high | 63 Ų | 63 | 85.7 Ų | 85.7 | 29% | 0.292 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -57.5 | -48.7 | 178 | 179.3 | 77.5 | 0 | 0 | 0 | 112.4 | F2 T7 F8 F13 E14 K15 | F2-H11 HydrophobicContact CD1-CB 4.29Å; F2-H11 HydrophobicContact CE1-CB 3.47Å; F2-H11 VanDerWaalsContact CE1-CB 3.47Å; F2-H11 AromaticContact CE1-CD2 3.71Å; F2-H11 AromaticContact CE1-CG 3.48Å; F2-H11 VanDerWaalsContact CE1-CG 3.48Å; F2-H11 HydrophobicContact CZ-CB 4.06Å; F2-H11 AromaticContact CZ-CD2 3.41Å; F2-H11 VanDerWaalsContact CZ-CD2 3.41Å; F2-H11 WeakPolarHBondContact CZ-CD2 3.37Å; F2-H11 AromaticContact CZ-CG 3.72Å; F2-H11 AromaticContact CZ-NE2 3.98Å; T7-H11 PolarHBondContact O-N 2.97Å; F8-H11 WeakPolarHBondContact O-CB 3.42Å; F8-H11 PolarHBondContact O-N 2.92Å; F8-H11 VanDerWaalsContact O-N 3.09Å; H11-F13 VanDerWaalsContact C-N 3.33Å; H11-F13 PolarHBondContact O-N 3.46Å; H11-E14 PolarHBondContact O-N 3.41Å; H11-K15 VanDerWaalsContact CE1-CD 3.49Å; H11-K15 WeakPolarHBondContact CE1-CD 3.45Å; H11-K15 WeakPolarHBondContact NE2-CD 3.27Å; H11-K15 WeakPolarHBondContact O-CB 3.28Å; H11-K15 PolarHBondContact O-N 3.46Å |
| 12 | E | 98 | Very high | 96 | Very high | 45 Ų | 45 | 82.9 Ų | 82.9 | 21% | 0.21 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -60.3 | -43.5 | -179.8 | -67.6 | -56.9 | 124 | 0 | 0 | 111.7 | F8 R9 K10 H16 G17 Y32 | F8-E12 HydrophobicContact CD2-CG 4.06Å; F8-E12 HydrophobicContact CE1-CG 4.15Å; F8-E12 HydrophobicContact CE2-CG 3.59Å; F8-E12 WeakPolarHBondContact CE2-OE1 3.16Å; F8-E12 HydrophobicContact CZ-CG 3.64Å; F8-E12 WeakPolarHBondContact O-CG 3.26Å; F8-E12 PolarHBondContact O-N 2.88Å; R9-E12 PolarHBondContact O-N 3.45Å; K10-E12 PolarHBondContact O-N 2.66Å; E12-H16 WeakPolarHBondContact O-CA 3.3Å; E12-H16 VanDerWaalsContact O-CB 3.31Å; E12-H16 WeakPolarHBondContact O-CB 3.35Å; E12-H16 PolarHBondContact O-N 2.95Å; E12-H16 IonicContact OE2-CD2 3.69Å; E12-G17 PolarHBondContact O-N 3.05Å; E12-Y32 HydrophobicContact CB-CE1 4.45Å |
| 13 | F | 98.2 | Very high | 96.6 | Very high | 25 Ų | 25 | 81.4 Ų | 81.4 | 11% | 0.11 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -69.2 | -47 | 179 | -173.7 | -107.7 | 0 | 0 | 0 | 112.4 | R9 K10 H11 K15 G17 L18 V21 Q29 Y32 F33 | R9-F13 PolarHBondContact O-N 3.42Å; K10-F13 PolarHBondContact O-N 2.89Å; H11-F13 VanDerWaalsContact C-N 3.33Å; H11-F13 PolarHBondContact O-N 3.46Å; F13-K15 VanDerWaalsContact C-N 3.35Å; F13-K15 PolarHBondContact O-N 3.32Å; F13-G17 CarbonylContact O-C 3.57Å; F13-G17 VanDerWaalsContact O-CA 3.27Å; F13-G17 WeakPolarHBondContact O-CA 3.38Å; F13-G17 PolarHBondContact O-N 3.09Å; F13-L18 HydrophobicContact CE1-CD2 3.71Å; F13-L18 HydrophobicContact CE1-CG 4.21Å; F13-L18 HydrophobicContact CZ-CD2 3.87Å; F13-L18 HydrophobicContact CZ-CG 4.48Å; F13-L18 PolarHBondContact O-N 3.04Å; F13-V21 HydrophobicContact CE2-CG1 4.49Å; F13-V21 HydrophobicContact CZ-CG1 4.33Å; F13-Q29 HydrophobicContact CB-CG 4.33Å; F13-Q29 HydrophobicContact CD1-CB 4.04Å; F13-Q29 HydrophobicContact CD1-CG 3.91Å; F13-Q29 HydrophobicContact CD2-CB 3.99Å; F13-Q29 HydrophobicContact CD2-CG 3.89Å; F13-Q29 HydrophobicContact CE1-CB 3.8Å; F13-Q29 HydrophobicContact CE1-CG 4.2Å; F13-Q29 HydrophobicContact CE2-CB 3.79Å; F13-Q29 HydrophobicContact CE2-CG 4.23Å; F13-Q29 HydrophobicContact CG-CB 4.13Å; F13-Q29 HydrophobicContact CG-CG 3.74Å; F13-Q29 HydrophobicContact CZ-CB 3.68Å; F13-Q29 HydrophobicContact CZ-CG 4.37Å; F13-Y32 AromaticContact CD2-CD1 3.93Å; F13-Y32 HydrophobicContact CD2-CD1 3.93Å; F13-Y32 AromaticContact CD2-CG 3.98Å; F13-Y32 HydrophobicContact CD2-CG 3.98Å; F13-Y32 HydrophobicContact CE2-CG 4.43Å; F13-F33 HydrophobicContact CB-CE2 4.16Å; F13-F33 HydrophobicContact CB-CZ 4.23Å |
| 14 | E | 98 | Very high | 97 | Very high | 109 Ų | 109 | 82.1 Ų | 82.1 | 51% | 0.509 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.1 | -36.8 | -178.7 | -71.7 | 178.7 | 161.8 | 0 | 0 | 112.4 | K10 H11 | K10-E14 WeakPolarHBondContact CE-OE1 3.31Å; K10-E14 VanDerWaalsContact CE-OE2 3.28Å; K10-E14 WeakPolarHBondContact CE-OE2 3.43Å; K10-E14 HydrophobicContact CG-CG 4.3Å; K10-E14 IonicContact NZ-OE1 3.52Å; K10-E14 WeakPolarHBondContact O-CB 3.45Å; K10-E14 WeakPolarHBondContact O-CG 3.15Å; K10-E14 PolarHBondContact O-N 2.92Å; H11-E14 PolarHBondContact O-N 3.41Å |
| 15 | K | 97.5 | Very high | 97 | Very high | 122 Ų | 122 | 85 Ų | 85 | 53% | 0.53 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -85.7 | -34.7 | -177.4 | -172.2 | 174.6 | 174.4 | 175 | 0 | 113.5 | H11 F13 | H11-K15 VanDerWaalsContact CE1-CD 3.49Å; H11-K15 WeakPolarHBondContact CE1-CD 3.45Å; H11-K15 WeakPolarHBondContact NE2-CD 3.27Å; H11-K15 WeakPolarHBondContact O-CB 3.28Å; H11-K15 PolarHBondContact O-N 3.46Å; F13-K15 VanDerWaalsContact C-N 3.35Å; F13-K15 PolarHBondContact O-N 3.32Å |
| 16 | H | 97.6 | Very high | 97.1 | Very high | 84 Ų | 84 | 80.3 Ų | 80.3 | 39% | 0.389 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.8 | -43 | -170.6 | -58.2 | -58.1 | 0 | 0 | 0 | 112.7 | E12 L18 C19 | E12-H16 WeakPolarHBondContact O-CA 3.3Å; E12-H16 VanDerWaalsContact O-CB 3.31Å; E12-H16 WeakPolarHBondContact O-CB 3.35Å; E12-H16 PolarHBondContact O-N 2.95Å; E12-H16 IonicContact OE2-CD2 3.69Å; H16-L18 PolarHBondContact O-N 3.06Å; H16-C19 PolarHBondContact O-N 3.3Å |
| 17 | G | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 83.5 Ų | 83.5 | 0% | 0 | 42% | 0.416 | C | S | . | . | G | 310 helix | trans | -64.3 | -37.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | E12 F13 C19 A20 Y32 | E12-G17 PolarHBondContact O-N 3.05Å; F13-G17 CarbonylContact O-C 3.57Å; F13-G17 VanDerWaalsContact O-CA 3.27Å; F13-G17 WeakPolarHBondContact O-CA 3.38Å; F13-G17 PolarHBondContact O-N 3.09Å; G17-C19 PolarHBondContact O-N 2.88Å; G17-A20 PolarHBondContact O-N 3.26Å; G17-Y32 VanDerWaalsContact CA-CD2 3.49Å; G17-Y32 VanDerWaalsContact CA-CE2 3.45Å |
| 18 | L | 98 | Very high | 97.2 | Very high | 97 Ų | 97 | 84.2 Ų | 84.2 | 51% | 0.508 | 42% | 0.418 | S | S | . | . | G | 310 helix | trans | -60.5 | -29.6 | 178.2 | -72.8 | 177.5 | 0 | 0 | 0 | 113.3 | F13 H16 A20 V21 | F13-L18 HydrophobicContact CE1-CD2 3.71Å; F13-L18 HydrophobicContact CE1-CG 4.21Å; F13-L18 HydrophobicContact CZ-CD2 3.87Å; F13-L18 HydrophobicContact CZ-CG 4.48Å; F13-L18 PolarHBondContact O-N 3.04Å; H16-L18 PolarHBondContact O-N 3.06Å; L18-A20 PolarHBondContact O-N 3.41Å; L18-V21 WeakPolarHBondContact O-CG2 3.21Å |
| 19 | C | 97.6 | Very high | 97.2 | Very high | 108 Ų | 108 | 85 Ų | 85 | 73% | 0.73 | 42% | 0.423 | S | S | * | . | G | 310 helix | trans | -75 | -15.1 | 175.8 | -58.7 | 0 | 0 | 0 | 0 | 113.1 | H16 G17 | H16-C19 PolarHBondContact O-N 3.3Å; G17-C19 PolarHBondContact O-N 2.88Å |
| 20 | A | 96.7 | Very high | 97.3 | Very high | 32 Ų | 32 | 87.2 Ų | 87.2 | 26% | 0.264 | 43% | 0.432 | S | S | . | . | G | 310 helix | trans | -101.1 | -3.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | G17 L18 E22 D23 V26 | G17-A20 PolarHBondContact O-N 3.26Å; L18-A20 PolarHBondContact O-N 3.41Å; A20-E22 PolarHBondContact O-N 3.08Å; A20-E22 VanDerWaalsContact O-N 3.17Å; A20-D23 PolarHBondContact O-N 3.48Å; A20-V26 HydrophobicContact CB-CB 4.42Å; A20-V26 HydrophobicContact CB-CG1 3.99Å; A20-V26 HydrophobicContact CB-CG2 4.29Å; A20-V26 WeakPolarHBondContact O-CB 3.49Å |
| 21 | V | 96.5 | Very high | 97.3 | Very high | 46 Ų | 46 | 81.8 Ų | 81.8 | 28% | 0.279 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -13.8 | -174.5 | -58.2 | 0 | 0 | 0 | 0 | 114.1 | F13 L18 D23 F27 | F13-V21 HydrophobicContact CE2-CG1 4.49Å; F13-V21 HydrophobicContact CZ-CG1 4.33Å; L18-V21 WeakPolarHBondContact O-CG2 3.21Å; V21-D23 VanDerWaalsContact C-N 3.26Å; V21-D23 PolarHBondContact O-N 3.44Å; V21-F27 WeakPolarHBondContact O-CA 3.17Å |
| 22 | E | 96.8 | Very high | 97.4 | Very high | 181 Ų | 181 | 81.3 Ų | 81.3 | 85% | 0.846 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -22.7 | 172.5 | -63.2 | -178.4 | 179.6 | 0 | 0 | 112.3 | A20 P24 | A20-E22 PolarHBondContact O-N 3.08Å; A20-E22 VanDerWaalsContact O-N 3.17Å; E22-P24 WeakPolarHBondContact O-CD 3.27Å |
| 23 | D | 97.4 | Very high | 97.4 | Very high | 68 Ų | 68 | 81.7 Ų | 81.7 | 36% | 0.364 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -76.7 | 124.1 | 174.4 | -169.8 | -46.7 | 0 | 0 | 0 | 109.9 | A20 V21 Q25 V26 F27 | A20-D23 PolarHBondContact O-N 3.48Å; V21-D23 VanDerWaalsContact C-N 3.26Å; V21-D23 PolarHBondContact O-N 3.44Å; D23-Q25 PolarHBondContact O-N 3.49Å; D23-Q25 VanDerWaalsContact O-N 3.1Å; D23-Q25 VanDerWaalsContact OD1-CB 3.26Å; D23-Q25 WeakPolarHBondContact OD1-CB 3.39Å; D23-Q25 PolarHBondContact OD1-N 2.9Å; D23-V26 HydrophobicContact CB-CB 4.45Å; D23-V26 CarbonylContact O-C 3.5Å; D23-V26 PolarHBondContact O-N 2.8Å; D23-F27 PolarHBondContact O-N 3.34Å |
| 24 | P | 96.2 | Very high | 97.4 | Very high | 118 Ų | 118 | 85.1 Ų | 85.1 | 77% | 0.766 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -24.6 | 178.6 | -25.6 | 34.7 | 0 | 0 | 0 | 114.9 | E22 V26 | E22-P24 WeakPolarHBondContact O-CD 3.27Å; P24-V26 VanDerWaalsContact C-N 3.29Å |
| 25 | Q | 94.9 | Very high | 97.4 | Very high | 127 Ų | 127 | 83.3 Ų | 83.3 | 59% | 0.593 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -23.6 | 176.2 | -63.5 | 175.2 | 89.7 | 0 | 0 | 112.4 | D23 F35 | D23-Q25 PolarHBondContact O-N 3.49Å; D23-Q25 VanDerWaalsContact O-N 3.1Å; D23-Q25 VanDerWaalsContact OD1-CB 3.26Å; D23-Q25 WeakPolarHBondContact OD1-CB 3.39Å; D23-Q25 PolarHBondContact OD1-N 2.9Å; Q25-F35 HydrophobicContact CB-CD2 3.99Å; Q25-F35 HydrophobicContact CB-CE2 4.29Å |
| 26 | V | 97.2 | Very high | 97.3 | Very high | 10 Ų | 10 | 79.2 Ų | 79.2 | 6% | 0.061 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -66.2 | 177.6 | 172.2 | 0 | 0 | 0 | 0 | 109.5 | A20 D23 P24 N28 G31 Y32 F35 | A20-V26 HydrophobicContact CB-CB 4.42Å; A20-V26 HydrophobicContact CB-CG1 3.99Å; A20-V26 HydrophobicContact CB-CG2 4.29Å; A20-V26 WeakPolarHBondContact O-CB 3.49Å; D23-V26 HydrophobicContact CB-CB 4.45Å; D23-V26 CarbonylContact O-C 3.5Å; D23-V26 PolarHBondContact O-N 2.8Å; P24-V26 VanDerWaalsContact C-N 3.29Å; V26-N28 PolarHBondContact O-N 2.98Å; V26-G31 CarbonylContact O-C 3.56Å; V26-G31 WeakPolarHBondContact O-CA 3.5Å; V26-Y32 HydrophobicContact CG1-CD2 4.23Å; V26-F35 HydrophobicContact CG2-CB 4.38Å; V26-F35 HydrophobicContact CG2-CG 4.42Å |
| 27 | F | 96.3 | Very high | 97.3 | Very high | 144 Ų | 144 | 79.4 Ų | 79.4 | 63% | 0.632 | 41% | 0.409 | S | S | * | . | S | Bend | trans | 53.3 | -33.9 | 178 | -173.1 | -111.5 | 0 | 0 | 0 | 118.3 | V21 D23 | V21-F27 WeakPolarHBondContact O-CA 3.17Å; D23-F27 PolarHBondContact O-N 3.34Å |
| 28 | N | 97.8 | Very high | 97.3 | Very high | 68 Ų | 68 | 84.2 Ų | 84.2 | 36% | 0.364 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -156.8 | -178.4 | -177.8 | 61.9 | 43 | 0 | 0 | 0 | 110.4 | V26 Y30 G31 Y32 | V26-N28 PolarHBondContact O-N 2.98Å; N28-Y30 VanDerWaalsContact C-N 3.33Å; N28-Y30 PolarHBondContact O-N 3.46Å; N28-Y30 WeakPolarHBondContact OD1-CA 3.41Å; N28-Y30 WeakPolarHBondContact OD1-CB 3.39Å; N28-Y30 PolarHBondContact OD1-N 2.95Å; N28-G31 PolarHBondContact O-N 3.43Å; N28-G31 PolarHBondContact OD1-N 3.41Å; N28-Y32 PolarHBondContact O-N 2.99Å |
| 29 | Q | 98 | Very high | 97.2 | Very high | 99 Ų | 99 | 83.3 Ų | 83.3 | 46% | 0.463 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -59.1 | -40.5 | 179.5 | -171.9 | 177.5 | 0.4 | 0 | 0 | 113.6 | F13 Y32 F33 | F13-Q29 HydrophobicContact CB-CG 4.33Å; F13-Q29 HydrophobicContact CD1-CB 4.04Å; F13-Q29 HydrophobicContact CD1-CG 3.91Å; F13-Q29 HydrophobicContact CD2-CB 3.99Å; F13-Q29 HydrophobicContact CD2-CG 3.89Å; F13-Q29 HydrophobicContact CE1-CB 3.8Å; F13-Q29 HydrophobicContact CE1-CG 4.2Å; F13-Q29 HydrophobicContact CE2-CB 3.79Å; F13-Q29 HydrophobicContact CE2-CG 4.23Å; F13-Q29 HydrophobicContact CG-CB 4.13Å; F13-Q29 HydrophobicContact CG-CG 3.74Å; F13-Q29 HydrophobicContact CZ-CB 3.68Å; F13-Q29 HydrophobicContact CZ-CG 4.37Å; Q29-Y32 PolarHBondContact O-N 3.05Å; Q29-F33 HydrophobicContact CG-CD2 3.99Å; Q29-F33 HydrophobicContact CG-CE2 3.75Å; Q29-F33 WeakPolarHBondContact O-CD2 3.48Å; Q29-F33 PolarHBondContact O-N 2.99Å |
| 30 | Y | 97.9 | Very high | 97.1 | Very high | 165 Ų | 165 | 84 Ų | 84 | 65% | 0.647 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -64.7 | -47.2 | 179.1 | 171.7 | -95.6 | 0 | 0 | 0 | 111.1 | N28 Y32 F33 K34 | N28-Y30 VanDerWaalsContact C-N 3.33Å; N28-Y30 PolarHBondContact O-N 3.46Å; N28-Y30 WeakPolarHBondContact OD1-CA 3.41Å; N28-Y30 WeakPolarHBondContact OD1-CB 3.39Å; N28-Y30 PolarHBondContact OD1-N 2.95Å; Y30-Y32 PolarHBondContact O-N 3.28Å; Y30-F33 PolarHBondContact O-N 3.44Å; Y30-K34 HydrophobicContact CE1-CB 4.43Å; Y30-K34 HydrophobicContact CE1-CD 3.76Å; Y30-K34 VanDerWaalsContact O-CB 3.27Å; Y30-K34 WeakPolarHBondContact O-CB 3.32Å; Y30-K34 PolarHBondContact O-N 2.85Å |
| 31 | G | 98.1 | Very high | 97 | Very high | 7 Ų | 7 | 88.7 Ų | 88.7 | 7% | 0.072 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -66.7 | -35.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V26 N28 F33 K34 F35 | V26-G31 CarbonylContact O-C 3.56Å; V26-G31 WeakPolarHBondContact O-CA 3.5Å; N28-G31 PolarHBondContact O-N 3.43Å; N28-G31 PolarHBondContact OD1-N 3.41Å; G31-F33 PolarHBondContact O-N 3.24Å; G31-K34 PolarHBondContact O-N 3.03Å; G31-F35 WeakPolarHBondContact O-CB 3.46Å; G31-F35 PolarHBondContact O-N 3.33Å |
| 32 | Y | 98.5 | Very high | 96.9 | Very high | 52 Ų | 52 | 95 Ų | 95 | 20% | 0.204 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -54.4 | -53.3 | 172.9 | 178.7 | -104.3 | 0 | 0 | 0 | 112.1 | E12 F13 G17 V26 N28 Q29 Y30 G36 | E12-Y32 HydrophobicContact CB-CE1 4.45Å; F13-Y32 AromaticContact CD2-CD1 3.93Å; F13-Y32 HydrophobicContact CD2-CD1 3.93Å; F13-Y32 AromaticContact CD2-CG 3.98Å; F13-Y32 HydrophobicContact CD2-CG 3.98Å; F13-Y32 HydrophobicContact CE2-CG 4.43Å; G17-Y32 VanDerWaalsContact CA-CD2 3.49Å; G17-Y32 VanDerWaalsContact CA-CE2 3.45Å; V26-Y32 HydrophobicContact CG1-CD2 4.23Å; N28-Y32 PolarHBondContact O-N 2.99Å; Q29-Y32 PolarHBondContact O-N 3.05Å; Y30-Y32 PolarHBondContact O-N 3.28Å; Y32-G36 PolarHBondContact O-N 2.98Å; Y32-G36 VanDerWaalsContact O-N 3.08Å |
| 33 | F | 98.4 | Very high | 96.8 | Very high | 54 Ų | 54 | 90.8 Ų | 90.8 | 24% | 0.237 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -71.4 | -38 | 180 | -72.1 | -65 | 0 | 0 | 0 | 112.6 | R9 F13 Q29 Y30 G31 G36 I37 | R9-F33 HydrophobicContact CB-CE1 4.14Å; R9-F33 HydrophobicContact CB-CE2 4.39Å; R9-F33 HydrophobicContact CB-CZ 3.72Å; R9-F33 HydrophobicContact CG-CE1 3.84Å; R9-F33 HydrophobicContact CG-CZ 3.95Å; R9-F33 WeakPolarHBondContact O-CZ 3.26Å; F13-F33 HydrophobicContact CB-CE2 4.16Å; F13-F33 HydrophobicContact CB-CZ 4.23Å; Q29-F33 HydrophobicContact CG-CD2 3.99Å; Q29-F33 HydrophobicContact CG-CE2 3.75Å; Q29-F33 WeakPolarHBondContact O-CD2 3.48Å; Q29-F33 PolarHBondContact O-N 2.99Å; Y30-F33 PolarHBondContact O-N 3.44Å; G31-F33 PolarHBondContact O-N 3.24Å; F33-G36 PolarHBondContact O-N 2.92Å; F33-I37 WeakPolarHBondContact O-CB 3.37Å; F33-I37 WeakPolarHBondContact O-CD1 3.44Å; F33-I37 VanDerWaalsContact O-CG1 3.26Å; F33-I37 WeakPolarHBondContact O-CG1 3.41Å; F33-I37 PolarHBondContact O-N 3.39Å |
| 34 | K | 98.1 | Very high | 96.5 | Very high | 97 Ų | 97 | 91.3 Ų | 91.3 | 42% | 0.422 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -59.4 | -48.7 | 175.6 | 178.8 | -178.5 | 174.4 | -175.8 | 0 | 110.9 | Y30 G31 I37 Q38 | Y30-K34 HydrophobicContact CE1-CB 4.43Å; Y30-K34 HydrophobicContact CE1-CD 3.76Å; Y30-K34 VanDerWaalsContact O-CB 3.27Å; Y30-K34 WeakPolarHBondContact O-CB 3.32Å; Y30-K34 PolarHBondContact O-N 2.85Å; G31-K34 PolarHBondContact O-N 3.03Å; K34-I37 PolarHBondContact O-N 3.48Å; K34-Q38 HydrophobicContact CG-CG 4.5Å; K34-Q38 WeakPolarHBondContact O-CB 3.31Å; K34-Q38 VanDerWaalsContact O-CG 3.31Å; K34-Q38 WeakPolarHBondContact O-CG 3.48Å; K34-Q38 PolarHBondContact O-N 3.36Å |
| 35 | F | 97.4 | Very high | 96.2 | Very high | 70 Ų | 70 | 91 Ų | 91 | 31% | 0.307 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.7 | -47.8 | 179.2 | -178 | -95.6 | 0 | 0 | 0 | 111.2 | Q25 V26 G31 I37 Q38 L39 | Q25-F35 HydrophobicContact CB-CD2 3.99Å; Q25-F35 HydrophobicContact CB-CE2 4.29Å; V26-F35 HydrophobicContact CG2-CB 4.38Å; V26-F35 HydrophobicContact CG2-CG 4.42Å; G31-F35 WeakPolarHBondContact O-CB 3.46Å; G31-F35 PolarHBondContact O-N 3.33Å; F35-I37 VanDerWaalsContact C-N 3.35Å; F35-I37 PolarHBondContact O-N 2.89Å; F35-Q38 PolarHBondContact O-N 2.83Å; F35-L39 HydrophobicContact CE1-CD2 4.37Å; F35-L39 WeakPolarHBondContact O-CB 3.41Å; F35-L39 PolarHBondContact O-N 2.97Å |
| 36 | G | 96.6 | Very high | 96 | Very high | 37 Ų | 37 | 90.7 Ų | 90.7 | 38% | 0.381 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -58.4 | -43.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y32 F33 L39 M40 | Y32-G36 PolarHBondContact O-N 2.98Å; Y32-G36 VanDerWaalsContact O-N 3.08Å; F33-G36 PolarHBondContact O-N 2.92Å; G36-L39 PolarHBondContact O-N 3.43Å; G36-M40 WeakPolarHBondContact O-CB 3.33Å; G36-M40 PolarHBondContact O-N 2.86Å |
| 37 | I | 97.2 | Very high | 95.7 | Very high | 88 Ų | 88 | 97.2 Ų | 97.2 | 45% | 0.451 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.8 | -43.9 | 176.8 | -69.1 | 165.2 | 0 | 0 | 0 | 111.2 | F33 K34 F35 L39 M40 Q41 | F33-I37 WeakPolarHBondContact O-CB 3.37Å; F33-I37 WeakPolarHBondContact O-CD1 3.44Å; F33-I37 VanDerWaalsContact O-CG1 3.26Å; F33-I37 WeakPolarHBondContact O-CG1 3.41Å; F33-I37 PolarHBondContact O-N 3.39Å; K34-I37 PolarHBondContact O-N 3.48Å; F35-I37 VanDerWaalsContact C-N 3.35Å; F35-I37 PolarHBondContact O-N 2.89Å; I37-L39 VanDerWaalsContact C-N 3.33Å; I37-L39 PolarHBondContact O-N 3.28Å; I37-M40 HydrophobicContact CG2-CE 4.49Å; I37-M40 WeakPolarHBondContact O-CB 3.48Å; I37-M40 PolarHBondContact O-N 3.33Å; I37-Q41 WeakPolarHBondContact O-CG 3.48Å; I37-Q41 PolarHBondContact O-N 3.29Å |
| 38 | Q | 97.2 | Very high | 95.3 | Very high | 100 Ų | 100 | 97.9 Ų | 97.9 | 47% | 0.467 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.7 | -41 | 177.2 | -74 | 179.5 | -48 | 0 | 0 | 111.5 | K34 F35 Q41 K42 | K34-Q38 HydrophobicContact CG-CG 4.5Å; K34-Q38 WeakPolarHBondContact O-CB 3.31Å; K34-Q38 VanDerWaalsContact O-CG 3.31Å; K34-Q38 WeakPolarHBondContact O-CG 3.48Å; K34-Q38 PolarHBondContact O-N 3.36Å; F35-Q38 PolarHBondContact O-N 2.83Å; Q38-Q41 PolarHBondContact O-N 3.42Å; Q38-K42 WeakPolarHBondContact O-CB 3.35Å; Q38-K42 PolarHBondContact O-N 3.48Å |
| 39 | L | 95.8 | Very high | 95 | Very high | 78 Ų | 78 | 98.3 Ų | 98.3 | 41% | 0.408 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.9 | -44.7 | 176.5 | -175.4 | 61 | 0 | 0 | 0 | 111.3 | F35 G36 I37 Q41 K42 L43 | F35-L39 HydrophobicContact CE1-CD2 4.37Å; F35-L39 WeakPolarHBondContact O-CB 3.41Å; F35-L39 PolarHBondContact O-N 2.97Å; G36-L39 PolarHBondContact O-N 3.43Å; I37-L39 VanDerWaalsContact C-N 3.33Å; I37-L39 PolarHBondContact O-N 3.28Å; L39-Q41 VanDerWaalsContact C-N 3.34Å; L39-Q41 PolarHBondContact O-N 3.43Å; L39-K42 PolarHBondContact O-N 2.98Å; L39-L43 HydrophobicContact CD1-CD1 3.97Å; L39-L43 HydrophobicContact CD1-CG 4.08Å; L39-L43 HydrophobicContact CG-CD1 3.95Å; L39-L43 HydrophobicContact CG-CG 4.43Å; L39-L43 WeakPolarHBondContact O-CB 3.48Å; L39-L43 WeakPolarHBondContact O-CG 3.34Å; L39-L43 PolarHBondContact O-N 3.06Å |
| 40 | M | 95.6 | Very high | 94.6 | Very high | 123 Ų | 123 | 97.5 Ų | 97.5 | 61% | 0.606 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -56.8 | -47.2 | 174.6 | 178.6 | -162 | 70.2 | 0 | 0 | 111.5 | G36 I37 N44 | G36-M40 WeakPolarHBondContact O-CB 3.33Å; G36-M40 PolarHBondContact O-N 2.86Å; I37-M40 HydrophobicContact CG2-CE 4.49Å; I37-M40 WeakPolarHBondContact O-CB 3.48Å; I37-M40 PolarHBondContact O-N 3.33Å; M40-N44 PolarHBondContact O-N 2.94Å |
| 41 | Q | 95 | Very high | 94.2 | Very high | 130 Ų | 130 | 95.1 Ų | 95.1 | 61% | 0.607 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -64.5 | -41.9 | 178.8 | -72.4 | 173 | -16.3 | 0 | 0 | 112.2 | I37 Q38 L39 | I37-Q41 WeakPolarHBondContact O-CG 3.48Å; I37-Q41 PolarHBondContact O-N 3.29Å; Q38-Q41 PolarHBondContact O-N 3.42Å; L39-Q41 VanDerWaalsContact C-N 3.34Å; L39-Q41 PolarHBondContact O-N 3.43Å |
| 42 | K | 95.1 | Very high | 93.8 | Very high | 178 Ų | 178 | 97.6 Ų | 97.6 | 77% | 0.774 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -64.8 | -44.1 | 179.5 | -177.4 | 179.4 | 178.8 | -178.5 | 0 | 112.1 | Q38 L39 | Q38-K42 WeakPolarHBondContact O-CB 3.35Å; Q38-K42 PolarHBondContact O-N 3.48Å; L39-K42 PolarHBondContact O-N 2.98Å |
| 43 | L | 94.3 | Very high | 93.5 | Very high | 94 Ų | 94 | 98.1 Ų | 98.1 | 49% | 0.492 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -73.5 | -34.4 | -178.1 | -68.3 | 175.4 | 0 | 0 | 0 | 112.2 | L39 L45 | L39-L43 HydrophobicContact CD1-CD1 3.97Å; L39-L43 HydrophobicContact CD1-CG 4.08Å; L39-L43 HydrophobicContact CG-CD1 3.95Å; L39-L43 HydrophobicContact CG-CG 4.43Å; L39-L43 WeakPolarHBondContact O-CB 3.48Å; L39-L43 WeakPolarHBondContact O-CG 3.34Å; L39-L43 PolarHBondContact O-N 3.06Å; L43-L45 HydrophobicContact CB-CD2 4Å; L43-L45 HydrophobicContact CB-CG 3.98Å; L43-L45 PolarHBondContact O-N 3.11Å; L43-L45 VanDerWaalsContact O-N 3.08Å |
| 44 | N | 90.7 | Very high | 93 | Very high | 79 Ų | 79 | 99.7 Ų | 99.7 | 42% | 0.422 | 50% | 0.496 | S | S | . | . | trans | 41.6 | 49.5 | 179.7 | -164.4 | -8 | 0 | 0 | 0 | 112.5 | M40 L46 K47 Y48 | M40-N44 PolarHBondContact O-N 2.94Å; N44-L46 PolarHBondContact O-N 3.08Å; N44-L46 VanDerWaalsContact O-N 3.11Å; N44-K47 WeakPolarHBondContact O-CB 3.41Å; N44-K47 PolarHBondContact O-N 3.43Å; N44-K47 WeakPolarHBondContact OD1-CB 3.45Å; N44-Y48 PolarHBondContact O-N 3Å | ||
| 45 | L | 90.9 | Very high | 92.3 | Very high | 112 Ų | 112 | 98.5 Ų | 98.5 | 59% | 0.586 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -56.4 | -34.8 | -170 | -65.4 | 176.8 | 0 | 0 | 0 | 112.1 | L43 K47 Y48 V49 | L43-L45 HydrophobicContact CB-CD2 4Å; L43-L45 HydrophobicContact CB-CG 3.98Å; L43-L45 PolarHBondContact O-N 3.11Å; L43-L45 VanDerWaalsContact O-N 3.08Å; L45-K47 VanDerWaalsContact C-N 3.34Å; L45-K47 PolarHBondContact O-N 2.85Å; L45-Y48 PolarHBondContact O-N 3.39Å; L45-Y48 VanDerWaalsContact O-N 3.16Å; L45-V49 WeakPolarHBondContact O-CG2 3.21Å; L45-V49 PolarHBondContact O-N 3.05Å |
| 46 | L | 89.2 | Confident | 91.8 | Very high | 120 Ų | 120 | 98.7 Ų | 98.7 | 63% | 0.628 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -58.9 | -44.4 | 178.1 | -177.3 | 61.6 | 0 | 0 | 0 | 111.9 | N44 Y48 V49 I50 | N44-L46 PolarHBondContact O-N 3.08Å; N44-L46 VanDerWaalsContact O-N 3.11Å; L46-Y48 VanDerWaalsContact C-N 3.29Å; L46-Y48 PolarHBondContact O-N 2.96Å; L46-V49 PolarHBondContact O-N 2.86Å; L46-I50 HydrophobicContact CD1-CD1 3.76Å; L46-I50 HydrophobicContact CD1-CG1 3.98Å; L46-I50 HydrophobicContact CD2-CD1 4.37Å; L46-I50 HydrophobicContact CG-CD1 3.7Å; L46-I50 HydrophobicContact CG-CG1 4.3Å; L46-I50 VanDerWaalsContact O-CB 3.31Å; L46-I50 WeakPolarHBondContact O-CB 3.33Å; L46-I50 VanDerWaalsContact O-CG1 3.23Å; L46-I50 WeakPolarHBondContact O-CG1 3.46Å; L46-I50 PolarHBondContact O-N 3.21Å |
| 47 | K | 91 | Very high | 91.1 | Very high | 147 Ų | 147 | 104.1 Ų | 104.1 | 64% | 0.639 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.7 | -41.9 | 177 | -178.5 | 179.9 | 177.9 | -178.3 | 0 | 111.2 | N44 L45 H51 | N44-K47 WeakPolarHBondContact O-CB 3.41Å; N44-K47 PolarHBondContact O-N 3.43Å; N44-K47 WeakPolarHBondContact OD1-CB 3.45Å; L45-K47 VanDerWaalsContact C-N 3.34Å; L45-K47 PolarHBondContact O-N 2.85Å; K47-H51 WeakPolarHBondContact O-CB 3.47Å; K47-H51 PolarHBondContact O-N 3.49Å |
| 48 | Y | 89.3 | Confident | 90.4 | Very high | 158 Ų | 158 | 104.4 Ų | 104.4 | 62% | 0.62 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.4 | -48.4 | 178.8 | -174.9 | -96.9 | 0 | 0 | 0 | 111.8 | N44 L45 L46 I50 H51 V52 | N44-Y48 PolarHBondContact O-N 3Å; L45-Y48 PolarHBondContact O-N 3.39Å; L45-Y48 VanDerWaalsContact O-N 3.16Å; L46-Y48 VanDerWaalsContact C-N 3.29Å; L46-Y48 PolarHBondContact O-N 2.96Å; Y48-I50 PolarHBondContact O-N 3.16Å; Y48-H51 WeakPolarHBondContact O-CB 3.36Å; Y48-H51 PolarHBondContact O-N 3.41Å; Y48-V52 HydrophobicContact CD1-CG2 4.2Å; Y48-V52 HydrophobicContact CE1-CG2 3.77Å; Y48-V52 HydrophobicContact CE2-CG2 4.44Å; Y48-V52 WeakPolarHBondContact O-CG2 3.23Å; Y48-V52 PolarHBondContact O-N 3.4Å |
| 49 | V | 89.7 | Confident | 89.6 | Confident | 76 Ų | 76 | 105.6 Ų | 105.6 | 46% | 0.461 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.7 | -46.4 | 179.1 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | L45 L46 H51 V52 V53 | L45-V49 WeakPolarHBondContact O-CG2 3.21Å; L45-V49 PolarHBondContact O-N 3.05Å; L46-V49 PolarHBondContact O-N 2.86Å; V49-H51 VanDerWaalsContact C-N 3.3Å; V49-H51 PolarHBondContact O-N 2.82Å; V49-V52 PolarHBondContact O-N 3.38Å; V49-V53 HydrophobicContact CG1-CG2 3.93Å; V49-V53 VanDerWaalsContact O-CB 3.26Å; V49-V53 WeakPolarHBondContact O-CB 3.31Å; V49-V53 WeakPolarHBondContact O-CG2 3.25Å; V49-V53 PolarHBondContact O-N 3.02Å |
| 50 | I | 89.9 | Confident | 89 | Confident | 82 Ų | 82 | 107.9 Ų | 107.9 | 42% | 0.421 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -57.7 | -45.2 | 176.3 | -73.1 | 173.8 | 0 | 0 | 0 | 110.5 | L46 Y48 I54 | L46-I50 HydrophobicContact CD1-CD1 3.76Å; L46-I50 HydrophobicContact CD1-CG1 3.98Å; L46-I50 HydrophobicContact CD2-CD1 4.37Å; L46-I50 HydrophobicContact CG-CD1 3.7Å; L46-I50 HydrophobicContact CG-CG1 4.3Å; L46-I50 VanDerWaalsContact O-CB 3.31Å; L46-I50 WeakPolarHBondContact O-CB 3.33Å; L46-I50 VanDerWaalsContact O-CG1 3.23Å; L46-I50 WeakPolarHBondContact O-CG1 3.46Å; L46-I50 PolarHBondContact O-N 3.21Å; Y48-I50 PolarHBondContact O-N 3.16Å; I50-I54 HydrophobicContact CG2-CD1 3.46Å; I50-I54 VanDerWaalsContact CG2-CD1 3.46Å; I50-I54 HydrophobicContact CG2-CG1 4.15Å; I50-I54 VanDerWaalsContact O-CB 3.25Å; I50-I54 WeakPolarHBondContact O-CB 3.26Å; I50-I54 VanDerWaalsContact O-CG1 3.26Å; I50-I54 WeakPolarHBondContact O-CG1 3.22Å; I50-I54 PolarHBondContact O-N 3.14Å |
| 51 | H | 89.5 | Confident | 88 | Confident | 115 Ų | 115 | 109.1 Ų | 109.1 | 53% | 0.532 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.5 | -48.7 | 178.8 | -175.7 | 76.4 | 0 | 0 | 0 | 112 | K47 Y48 V49 N55 | K47-H51 WeakPolarHBondContact O-CB 3.47Å; K47-H51 PolarHBondContact O-N 3.49Å; Y48-H51 WeakPolarHBondContact O-CB 3.36Å; Y48-H51 PolarHBondContact O-N 3.41Å; V49-H51 VanDerWaalsContact C-N 3.3Å; V49-H51 PolarHBondContact O-N 2.82Å; H51-N55 PolarHBondContact CD2-ND2 3.1Å; H51-N55 PolarHBondContact CE1-ND2 3.48Å; H51-N55 PolarHBondContact NE2-ND2 3.02Å; H51-N55 VanDerWaalsContact O-CB 3.22Å; H51-N55 WeakPolarHBondContact O-CB 3.26Å; H51-N55 PolarHBondContact O-N 3.29Å; H51-N55 PolarHBondContact O-ND2 3.36Å; H51-N55 VanDerWaalsContact O-ND2 3.1Å |
| 52 | V | 90.7 | Very high | 87.1 | Confident | 60 Ų | 60 | 111.3 Ų | 111.3 | 36% | 0.364 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.2 | -51 | 178.7 | 172.8 | 0 | 0 | 0 | 0 | 110.7 | Y48 V49 N55 S56 | Y48-V52 HydrophobicContact CD1-CG2 4.2Å; Y48-V52 HydrophobicContact CE1-CG2 3.77Å; Y48-V52 HydrophobicContact CE2-CG2 4.44Å; Y48-V52 WeakPolarHBondContact O-CG2 3.23Å; Y48-V52 PolarHBondContact O-N 3.4Å; V49-V52 PolarHBondContact O-N 3.38Å; V52-N55 PolarHBondContact O-N 2.87Å; V52-S56 WeakPolarHBondContact O-CB 3.27Å; V52-S56 PolarHBondContact O-N 3.34Å; V52-S56 PolarHBondContact O-OG 2.96Å; V52-S56 VanDerWaalsContact O-OG 3.07Å |
| 53 | V | 90.8 | Very high | 86.3 | Confident | 63 Ų | 63 | 108.6 Ų | 108.6 | 38% | 0.382 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.2 | -54.9 | -177.3 | 171.1 | 0 | 0 | 0 | 0 | 109.8 | V49 N55 S56 W57 | V49-V53 HydrophobicContact CG1-CG2 3.93Å; V49-V53 VanDerWaalsContact O-CB 3.26Å; V49-V53 WeakPolarHBondContact O-CB 3.31Å; V49-V53 WeakPolarHBondContact O-CG2 3.25Å; V49-V53 PolarHBondContact O-N 3.02Å; V53-N55 VanDerWaalsContact C-N 3.32Å; V53-N55 PolarHBondContact O-N 3.07Å; V53-S56 PolarHBondContact O-N 2.87Å; V53-S56 VanDerWaalsContact O-N 3.14Å; V53-W57 VanDerWaalsContact CG1-NE1 3.31Å; V53-W57 PolarHBondContact O-N 2.89Å |
| 54 | I | 89.1 | Confident | 84.9 | Confident | 86 Ų | 86 | 112.4 Ų | 112.4 | 44% | 0.441 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -58.2 | -44.2 | 179.9 | -68.5 | 178.8 | 0 | 0 | 0 | 111.3 | I50 S56 W57 L58 | I50-I54 HydrophobicContact CG2-CD1 3.46Å; I50-I54 VanDerWaalsContact CG2-CD1 3.46Å; I50-I54 HydrophobicContact CG2-CG1 4.15Å; I50-I54 VanDerWaalsContact O-CB 3.25Å; I50-I54 WeakPolarHBondContact O-CB 3.26Å; I50-I54 VanDerWaalsContact O-CG1 3.26Å; I50-I54 WeakPolarHBondContact O-CG1 3.22Å; I50-I54 PolarHBondContact O-N 3.14Å; I54-S56 VanDerWaalsContact C-N 3.34Å; I54-S56 PolarHBondContact O-N 2.86Å; I54-W57 PolarHBondContact O-N 3.34Å; I54-L58 HydrophobicContact CG2-CD1 3.8Å; I54-L58 HydrophobicContact CG2-CG 4.17Å; I54-L58 WeakPolarHBondContact O-CB 3.41Å; I54-L58 VanDerWaalsContact O-CG 3.27Å; I54-L58 WeakPolarHBondContact O-CG 3.4Å; I54-L58 PolarHBondContact O-N 3.45Å |
| 55 | N | 83.4 | Confident | 84.7 | Confident | 73 Ų | 73 | 114.1 Ų | 114.1 | 39% | 0.39 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.1 | -39.4 | 178.5 | -71.6 | -19.8 | 0 | 0 | 0 | 112.2 | H51 V52 V53 L58 H59 | H51-N55 PolarHBondContact CD2-ND2 3.1Å; H51-N55 PolarHBondContact CE1-ND2 3.48Å; H51-N55 PolarHBondContact NE2-ND2 3.02Å; H51-N55 VanDerWaalsContact O-CB 3.22Å; H51-N55 WeakPolarHBondContact O-CB 3.26Å; H51-N55 PolarHBondContact O-N 3.29Å; H51-N55 PolarHBondContact O-ND2 3.36Å; H51-N55 VanDerWaalsContact O-ND2 3.1Å; V52-N55 PolarHBondContact O-N 2.87Å; V53-N55 VanDerWaalsContact C-N 3.32Å; V53-N55 PolarHBondContact O-N 3.07Å; N55-L58 PolarHBondContact O-N 3.17Å; N55-H59 WeakPolarHBondContact O-CB 3.15Å; N55-H59 PolarHBondContact O-N 2.89Å |
| 56 | S | 86.8 | Confident | 84.3 | Confident | 73 Ų | 73 | 114.2 Ų | 114.2 | 51% | 0.51 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.6 | -44 | 175.1 | -66.1 | 0 | 0 | 0 | 0 | 111.9 | V52 V53 I54 H59 F60 | V52-S56 WeakPolarHBondContact O-CB 3.27Å; V52-S56 PolarHBondContact O-N 3.34Å; V52-S56 PolarHBondContact O-OG 2.96Å; V52-S56 VanDerWaalsContact O-OG 3.07Å; V53-S56 PolarHBondContact O-N 2.87Å; V53-S56 VanDerWaalsContact O-N 3.14Å; I54-S56 VanDerWaalsContact C-N 3.34Å; I54-S56 PolarHBondContact O-N 2.86Å; S56-H59 PolarHBondContact O-N 3.33Å; S56-F60 PolarHBondContact O-N 3.31Å |
| 57 | W | 82.6 | Confident | 84.1 | Confident | 152 Ų | 152 | 113.8 Ų | 113.8 | 58% | 0.576 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61.6 | -47.4 | 174.8 | -76 | 103.9 | 0 | 0 | 0 | 111.4 | V53 I54 H59 F60 Y61 | V53-W57 VanDerWaalsContact CG1-NE1 3.31Å; V53-W57 PolarHBondContact O-N 2.89Å; I54-W57 PolarHBondContact O-N 3.34Å; W57-H59 VanDerWaalsContact C-N 3.27Å; W57-H59 PolarHBondContact O-N 3.14Å; W57-F60 WeakPolarHBondContact O-CB 3.42Å; W57-F60 PolarHBondContact O-N 3.33Å; W57-F60 VanDerWaalsContact O-N 3.14Å; W57-Y61 HydrophobicContact CE3-CE2 4.12Å; W57-Y61 WeakPolarHBondContact O-CD2 3.41Å; W57-Y61 PolarHBondContact O-N 3.3Å |
| 58 | L | 81.8 | Confident | 83.7 | Confident | 94 Ų | 94 | 111.9 Ų | 111.9 | 49% | 0.492 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.1 | -35 | 177.1 | -72.1 | 175.5 | 0 | 0 | 0 | 112.4 | I54 N55 K62 | I54-L58 HydrophobicContact CG2-CD1 3.8Å; I54-L58 HydrophobicContact CG2-CG 4.17Å; I54-L58 WeakPolarHBondContact O-CB 3.41Å; I54-L58 VanDerWaalsContact O-CG 3.27Å; I54-L58 WeakPolarHBondContact O-CG 3.4Å; I54-L58 PolarHBondContact O-N 3.45Å; N55-L58 PolarHBondContact O-N 3.17Å; L58-K62 WeakPolarHBondContact O-CG 3.38Å; L58-K62 PolarHBondContact O-N 3.02Å |
| 59 | H | 80.5 | Confident | 83.3 | Confident | 125 Ų | 125 | 109 Ų | 109 | 58% | 0.579 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.9 | -47 | 173.2 | -172.4 | 66.2 | 0 | 0 | 0 | 110.6 | N55 S56 W57 Y61 K62 I63 | N55-H59 WeakPolarHBondContact O-CB 3.15Å; N55-H59 PolarHBondContact O-N 2.89Å; S56-H59 PolarHBondContact O-N 3.33Å; W57-H59 VanDerWaalsContact C-N 3.27Å; W57-H59 PolarHBondContact O-N 3.14Å; H59-Y61 VanDerWaalsContact C-N 3.34Å; H59-Y61 PolarHBondContact O-N 3.36Å; H59-K62 PolarHBondContact O-N 3.38Å; H59-K62 VanDerWaalsContact O-N 3.07Å; H59-I63 WeakPolarHBondContact O-CG1 3.1Å |
| 60 | F | 82.4 | Confident | 82.9 | Confident | 125 Ų | 125 | 111.2 Ų | 111.2 | 55% | 0.548 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -56.8 | -43.7 | 178 | -166.7 | -93.9 | 0 | 0 | 0 | 112.6 | S56 W57 K62 I63 L64 | S56-F60 PolarHBondContact O-N 3.31Å; W57-F60 WeakPolarHBondContact O-CB 3.42Å; W57-F60 PolarHBondContact O-N 3.33Å; W57-F60 VanDerWaalsContact O-N 3.14Å; F60-K62 VanDerWaalsContact C-N 3.28Å; F60-K62 PolarHBondContact O-N 3.07Å; F60-I63 PolarHBondContact O-N 3.37Å; F60-L64 HydrophobicContact CD1-CD1 4.09Å; F60-L64 HydrophobicContact CE1-CD1 3.85Å |
| 61 | Y | 74.5 | Confident | 82.4 | Confident | 150 Ų | 150 | 113.3 Ų | 113.3 | 59% | 0.588 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -68.9 | -18.7 | 177.5 | -77.3 | -70.1 | 0 | 0 | 0 | 114.7 | W57 H59 | W57-Y61 HydrophobicContact CE3-CE2 4.12Å; W57-Y61 WeakPolarHBondContact O-CD2 3.41Å; W57-Y61 PolarHBondContact O-N 3.3Å; H59-Y61 VanDerWaalsContact C-N 3.34Å; H59-Y61 PolarHBondContact O-N 3.36Å |
| 62 | K | 77.7 | Confident | 81.8 | Confident | 176 Ų | 176 | 113.2 Ų | 113.2 | 77% | 0.765 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -13.5 | 176.8 | -76 | 176.7 | 179.5 | -176.4 | 0 | 113.6 | L58 H59 F60 | L58-K62 WeakPolarHBondContact O-CG 3.38Å; L58-K62 PolarHBondContact O-N 3.02Å; H59-K62 PolarHBondContact O-N 3.38Å; H59-K62 VanDerWaalsContact O-N 3.07Å; F60-K62 VanDerWaalsContact C-N 3.28Å; F60-K62 PolarHBondContact O-N 3.07Å |
| 63 | I | 77.5 | Confident | 81.1 | Confident | 121 Ų | 121 | 117.6 Ų | 117.6 | 62% | 0.621 | 57% | 0.567 | S | S | * | * | trans | -100.7 | -3.6 | -178.6 | -17.7 | 177.1 | 0 | 0 | 0 | 111.9 | H59 F60 | H59-I63 WeakPolarHBondContact O-CG1 3.1Å; F60-I63 PolarHBondContact O-N 3.37Å | ||
| 64 | L | 66 | Low | 80.2 | Confident | 173 Ų | 173 | 122.5 Ų | 122.5 | 91% | 0.906 | 58% | 0.583 | S | S | * | * | trans | -97.9 | 0 | 171.4 | -64.3 | 175.2 | 0 | 0 | 0 | 109.6 | F60 | F60-L64 HydrophobicContact CD1-CD1 4.09Å; F60-L64 HydrophobicContact CE1-CD1 3.85Å |
Retrieved 64 of 64 residues in 119 ms
(Link to these results)