| 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 | 46.8 | Very low | 51.8 | Low | 207 Ų | 207 | 79.3 Ų | 79.3 | 100% | 1.02 | 42% | 0.423 | S | S | * | . | 0 | 32.3 | 0 | -150.5 | 178 | 82.9 | 0 | 0 | 112.5 | |||||
| 2 | I | 41.1 | Very low | 52.2 | Low | 124 Ų | 124 | 74.8 Ų | 74.8 | 64% | 0.636 | 40% | 0.4 | S | S | * | . | trans | -107 | -38.3 | 179.9 | -68.2 | 168.9 | 0 | 0 | 0 | 110.3 | S4 C5 Q6 | I2-S4 PolarHBondContact O-N 3.49Å; I2-C5 PolarHBondContact O-N 3.49Å; I2-Q6 PolarHBondContact O-N 3.16Å; I2-Q6 VanDerWaalsContact O-N 3.15Å | ||
| 3 | I | 48.6 | Very low | 52.4 | Low | 117 Ų | 117 | 75 Ų | 75 | 60% | 0.6 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -58.4 | -46.7 | 178 | -61.7 | 175.6 | 0 | 0 | 0 | 110.3 | C5 Q6 F7 | I3-C5 VanDerWaalsContact C-N 3.3Å; I3-C5 PolarHBondContact O-N 3.36Å; I3-Q6 PolarHBondContact O-N 3.31Å; I3-F7 HydrophobicContact CG2-CD2 3.78Å; I3-F7 HydrophobicContact CG2-CE2 3.43Å; I3-F7 VanDerWaalsContact CG2-CE2 3.43Å; I3-F7 HydrophobicContact CG2-CZ 4.42Å; I3-F7 WeakPolarHBondContact O-CD2 3.23Å; I3-F7 PolarHBondContact O-N 3.15Å; I3-F7 VanDerWaalsContact O-N 3.15Å |
| 4 | S | 51.3 | Low | 52.6 | Low | 43 Ų | 43 | 73.7 Ų | 73.7 | 30% | 0.301 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -56.8 | -41.4 | 177.6 | -50.1 | 0 | 0 | 0 | 0 | 112.7 | I2 F7 I8 | I2-S4 PolarHBondContact O-N 3.49Å; S4-F7 PolarHBondContact O-N 3.37Å; S4-I8 WeakPolarHBondContact O-CB 3.47Å; S4-I8 WeakPolarHBondContact O-CD1 3.41Å; S4-I8 WeakPolarHBondContact O-CG1 3.35Å; S4-I8 PolarHBondContact O-N 3.46Å; S4-I8 VanDerWaalsContact O-N 3.09Å |
| 5 | C | 47.7 | Very low | 52.6 | Low | 56 Ų | 56 | 75.2 Ų | 75.2 | 38% | 0.378 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -68.4 | -42.7 | 179.8 | -62.7 | 0 | 0 | 0 | 0 | 112.7 | I2 I3 F7 I8 T9 | I2-C5 PolarHBondContact O-N 3.49Å; I3-C5 VanDerWaalsContact C-N 3.3Å; I3-C5 PolarHBondContact O-N 3.36Å; C5-F7 VanDerWaalsContact C-N 3.27Å; C5-F7 PolarHBondContact O-N 2.94Å; C5-I8 WeakPolarHBondContact O-CB 3.16Å; C5-I8 PolarHBondContact O-N 3.32Å; C5-T9 PolarHBondContact O-N 2.93Å; C5-T9 PolarHBondContact O-OG1 2.94Å |
| 6 | Q | 52.4 | Low | 52.4 | Low | 132 Ų | 132 | 75.3 Ų | 75.3 | 62% | 0.617 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -62.1 | -37.8 | 178.1 | -71.8 | -178.9 | -22.2 | 0 | 0 | 112 | I2 I3 G10 | I2-Q6 PolarHBondContact O-N 3.16Å; I2-Q6 VanDerWaalsContact O-N 3.15Å; I3-Q6 PolarHBondContact O-N 3.31Å; Q6-G10 PolarHBondContact O-N 3.33Å; Q6-G10 VanDerWaalsContact O-N 3.07Å |
| 7 | F | 53.9 | Low | 52.4 | Low | 26 Ų | 26 | 72.4 Ų | 72.4 | 11% | 0.114 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -69.9 | -39.4 | 177.1 | -82.6 | -111.3 | 0 | 0 | 0 | 112.9 | I3 S4 C5 G10 F11 L33 A37 F41 | I3-F7 HydrophobicContact CG2-CD2 3.78Å; I3-F7 HydrophobicContact CG2-CE2 3.43Å; I3-F7 VanDerWaalsContact CG2-CE2 3.43Å; I3-F7 HydrophobicContact CG2-CZ 4.42Å; I3-F7 WeakPolarHBondContact O-CD2 3.23Å; I3-F7 PolarHBondContact O-N 3.15Å; I3-F7 VanDerWaalsContact O-N 3.15Å; S4-F7 PolarHBondContact O-N 3.37Å; C5-F7 VanDerWaalsContact C-N 3.27Å; C5-F7 PolarHBondContact O-N 2.94Å; F7-G10 PolarHBondContact O-N 3.34Å; F7-F11 PolarHBondContact O-N 3.15Å; F7-F11 VanDerWaalsContact O-N 3.15Å; F7-L33 HydrophobicContact CB-CD2 4.46Å; F7-L33 HydrophobicContact CD1-CD1 3.54Å; F7-L33 HydrophobicContact CD1-CD2 3.75Å; F7-L33 HydrophobicContact CD1-CG 3.35Å; F7-L33 HydrophobicContact CD2-CD1 3.79Å; F7-L33 HydrophobicContact CD2-CG 4.44Å; F7-L33 HydrophobicContact CE1-CB 4.33Å; F7-L33 HydrophobicContact CE1-CD1 3.12Å; F7-L33 HydrophobicContact CE1-CD2 4.12Å; F7-L33 HydrophobicContact CE1-CG 3.2Å; F7-L33 WeakPolarHBondContact CE1-O 3.46Å; F7-L33 HydrophobicContact CE2-CD1 3.45Å; F7-L33 VanDerWaalsContact CE2-CD1 3.45Å; F7-L33 HydrophobicContact CE2-CG 4.38Å; F7-L33 HydrophobicContact CG-CD1 3.88Å; F7-L33 HydrophobicContact CG-CD2 4.07Å; F7-L33 HydrophobicContact CG-CG 4.02Å; F7-L33 HydrophobicContact CZ-CD1 3.12Å; F7-L33 HydrophobicContact CZ-CG 3.81Å; F7-A37 HydrophobicContact CD1-CB 4.03Å; F7-A37 HydrophobicContact CE1-CB 3.18Å; F7-A37 HydrophobicContact CZ-CB 3.76Å; F7-F41 HydrophobicContact CB-CE1 3.63Å; F7-F41 HydrophobicContact CB-CE2 3.76Å; F7-F41 HydrophobicContact CB-CZ 3.12Å; F7-F41 AromaticContact CD1-CD1 3.8Å; F7-F41 HydrophobicContact CD1-CD1 3.8Å; F7-F41 HydrophobicContact CD1-CD2 4.32Å; F7-F41 AromaticContact CD1-CE1 3.49Å; F7-F41 HydrophobicContact CD1-CE1 3.49Å; F7-F41 VanDerWaalsContact CD1-CE1 3.49Å; F7-F41 HydrophobicContact CD1-CE2 4.07Å; F7-F41 HydrophobicContact CD1-CG 4.23Å; F7-F41 AromaticContact CD1-CZ 3.69Å; F7-F41 HydrophobicContact CD1-CZ 3.69Å; F7-F41 HydrophobicContact CE1-CD1 4.46Å; F7-F41 HydrophobicContact CG-CE1 4.01Å; F7-F41 HydrophobicContact CG-CE2 4.09Å; F7-F41 AromaticContact CG-CZ 3.75Å; F7-F41 HydrophobicContact CG-CZ 3.75Å |
| 8 | I | 55.5 | Low | 52.5 | Low | 6 Ų | 6 | 72.8 Ų | 72.8 | 3% | 0.031 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -60.7 | -47.2 | 174.9 | -72.9 | 160.5 | 0 | 0 | 0 | 110.5 | S4 C5 G10 F11 V12 L45 F49 L55 L58 V59 | S4-I8 WeakPolarHBondContact O-CB 3.47Å; S4-I8 WeakPolarHBondContact O-CD1 3.41Å; S4-I8 WeakPolarHBondContact O-CG1 3.35Å; S4-I8 PolarHBondContact O-N 3.46Å; S4-I8 VanDerWaalsContact O-N 3.09Å; C5-I8 WeakPolarHBondContact O-CB 3.16Å; C5-I8 PolarHBondContact O-N 3.32Å; I8-G10 VanDerWaalsContact C-N 3.31Å; I8-G10 PolarHBondContact O-N 3.39Å; I8-F11 PolarHBondContact O-N 3.42Å; I8-V12 HydrophobicContact CG2-CG2 4.48Å; I8-V12 WeakPolarHBondContact O-CG2 3.26Å; I8-V12 PolarHBondContact O-N 3.22Å; I8-L45 HydrophobicContact CG1-CD2 4.08Å; I8-F49 HydrophobicContact CD1-CE1 4.37Å; I8-F49 HydrophobicContact CD1-CE2 3.85Å; I8-F49 HydrophobicContact CD1-CZ 3.33Å; I8-F49 HydrophobicContact CG1-CE2 3.7Å; I8-F49 HydrophobicContact CG1-CZ 3.63Å; I8-F49 HydrophobicContact CG2-CZ 4.46Å; I8-L55 HydrophobicContact CB-CD1 4.45Å; I8-L55 HydrophobicContact CG2-CD1 3.13Å; I8-L55 HydrophobicContact CG2-CG 4.42Å; I8-L58 HydrophobicContact CD1-CD2 4.3Å; I8-V59 HydrophobicContact CG2-CG2 3.53Å |
| 9 | T | 56.6 | Low | 52.6 | Low | 66 Ų | 66 | 78.2 Ų | 78.2 | 41% | 0.405 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.9 | -40.8 | 177.7 | -54.6 | 0 | 0 | 0 | 0 | 111.4 | C5 F11 V12 V13 | C5-T9 PolarHBondContact O-N 2.93Å; C5-T9 PolarHBondContact O-OG1 2.94Å; T9-F11 VanDerWaalsContact C-N 3.32Å; T9-F11 PolarHBondContact O-N 3.35Å; T9-V12 PolarHBondContact O-N 3.07Å; T9-V13 HydrophobicContact CG2-CG2 4.35Å; T9-V13 WeakPolarHBondContact O-CB 3.09Å; T9-V13 VanDerWaalsContact O-CG2 3.23Å; T9-V13 WeakPolarHBondContact O-CG2 3.2Å; T9-V13 PolarHBondContact O-N 3.44Å |
| 10 | G | 57.5 | Low | 52.6 | Low | 22 Ų | 22 | 77.7 Ų | 77.7 | 23% | 0.227 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -61.4 | -36.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q6 F7 I8 H14 | Q6-G10 PolarHBondContact O-N 3.33Å; Q6-G10 VanDerWaalsContact O-N 3.07Å; F7-G10 PolarHBondContact O-N 3.34Å; I8-G10 VanDerWaalsContact C-N 3.31Å; I8-G10 PolarHBondContact O-N 3.39Å; G10-H14 PolarHBondContact O-N 3.2Å |
| 11 | F | 57.9 | Low | 52.3 | Low | 73 Ų | 73 | 81.5 Ų | 81.5 | 32% | 0.32 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -72.6 | -44 | 176.6 | -170.1 | -91.5 | 0 | 0 | 0 | 112.4 | F7 I8 T9 V13 H14 E15 L45 | F7-F11 PolarHBondContact O-N 3.15Å; F7-F11 VanDerWaalsContact O-N 3.15Å; I8-F11 PolarHBondContact O-N 3.42Å; T9-F11 VanDerWaalsContact C-N 3.32Å; T9-F11 PolarHBondContact O-N 3.35Å; F11-V13 VanDerWaalsContact C-N 3.35Å; F11-V13 PolarHBondContact O-N 3.31Å; F11-H14 PolarHBondContact O-N 2.88Å; F11-E15 HydrophobicContact CD1-CG 4.47Å; F11-E15 HydrophobicContact CE1-CG 3.97Å; F11-E15 HydrophobicContact CZ-CG 4.35Å; F11-E15 PolarHBondContact O-N 3.07Å; F11-E15 VanDerWaalsContact O-N 3.07Å; F11-L45 HydrophobicContact CD2-CD1 4.32Å; F11-L45 HydrophobicContact CG-CD1 4.47Å |
| 12 | V | 56.5 | Low | 52.6 | Low | 25 Ų | 25 | 76.7 Ų | 76.7 | 15% | 0.152 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -63.8 | -40 | 178.6 | 172.8 | 0 | 0 | 0 | 0 | 111.6 | I8 T9 H14 S16 L55 | I8-V12 HydrophobicContact CG2-CG2 4.48Å; I8-V12 WeakPolarHBondContact O-CG2 3.26Å; I8-V12 PolarHBondContact O-N 3.22Å; T9-V12 PolarHBondContact O-N 3.07Å; V12-H14 VanDerWaalsContact C-N 3.34Å; V12-S16 WeakPolarHBondContact O-CB 3.45Å; V12-S16 PolarHBondContact O-N 3Å; V12-S16 VanDerWaalsContact O-N 3.07Å; V12-S16 PolarHBondContact O-OG 3.39Å; V12-L55 HydrophobicContact CG2-CD1 4.39Å; V12-L55 HydrophobicContact CG2-CD2 3.77Å; V12-L55 HydrophobicContact CG2-CG 4.15Å |
| 13 | V | 55.6 | Low | 53 | Low | 78 Ų | 78 | 76.3 Ų | 76.3 | 47% | 0.473 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.2 | -42 | 176 | 170.8 | 0 | 0 | 0 | 0 | 110.5 | T9 F11 S16 S17 | T9-V13 HydrophobicContact CG2-CG2 4.35Å; T9-V13 WeakPolarHBondContact O-CB 3.09Å; T9-V13 VanDerWaalsContact O-CG2 3.23Å; T9-V13 WeakPolarHBondContact O-CG2 3.2Å; T9-V13 PolarHBondContact O-N 3.44Å; F11-V13 VanDerWaalsContact C-N 3.35Å; F11-V13 PolarHBondContact O-N 3.31Å; V13-S16 PolarHBondContact O-N 3.21Å; V13-S17 PolarHBondContact O-N 3.4Å; V13-S17 PolarHBondContact O-OG 3.37Å |
| 14 | H | 55.5 | Low | 52.9 | Low | 57 Ų | 57 | 78.8 Ų | 78.8 | 26% | 0.264 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -66 | -44.5 | 179 | -175 | 85.9 | 0 | 0 | 0 | 114.2 | G10 F11 V12 S16 S17 T18 S26 L30 | G10-H14 PolarHBondContact O-N 3.2Å; F11-H14 PolarHBondContact O-N 2.88Å; V12-H14 VanDerWaalsContact C-N 3.34Å; H14-S16 PolarHBondContact O-N 2.88Å; H14-S17 PolarHBondContact O-N 3.19Å; H14-S17 VanDerWaalsContact O-N 3.16Å; H14-T18 PolarHBondContact O-N 3.47Å; H14-T18 PolarHBondContact O-OG1 2.73Å; H14-S26 VanDerWaalsContact ND1-CB 3.35Å; H14-S26 WeakPolarHBondContact ND1-CB 3.38Å; H14-S26 PolarHBondContact ND1-O 3.09Å; H14-L30 HydrophobicContact CB-CD1 3.16Å; H14-L30 HydrophobicContact CB-CG 4.47Å; H14-L30 WeakPolarHBondContact ND1-CD1 3.36Å |
| 15 | E | 52.3 | Low | 52.6 | Low | 96 Ų | 96 | 82.9 Ų | 82.9 | 45% | 0.449 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65 | -30.5 | 175.5 | -84.4 | -118.6 | 118.5 | 0 | 0 | 112.3 | F11 T18 | F11-E15 HydrophobicContact CD1-CG 4.47Å; F11-E15 HydrophobicContact CE1-CG 3.97Å; F11-E15 HydrophobicContact CZ-CG 4.35Å; F11-E15 PolarHBondContact O-N 3.07Å; F11-E15 VanDerWaalsContact O-N 3.07Å; E15-T18 VanDerWaalsContact C-OG1 3.23Å; E15-T18 WeakPolarHBondContact CA-OG1 3.2Å; E15-T18 PolarHBondContact O-OG1 3.07Å |
| 16 | S | 49.9 | Very low | 52.3 | Low | 77 Ų | 77 | 80.9 Ų | 80.9 | 54% | 0.538 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -75.4 | -29.4 | 174.8 | -52.9 | 0 | 0 | 0 | 0 | 111.7 | V12 V13 H14 T18 | V12-S16 WeakPolarHBondContact O-CB 3.45Å; V12-S16 PolarHBondContact O-N 3Å; V12-S16 VanDerWaalsContact O-N 3.07Å; V12-S16 PolarHBondContact O-OG 3.39Å; V13-S16 PolarHBondContact O-N 3.21Å; H14-S16 PolarHBondContact O-N 2.88Å; S16-T18 VanDerWaalsContact C-N 3.33Å |
| 17 | S | 52.2 | Low | 51.8 | Low | 25 Ų | 25 | 80.4 Ų | 80.4 | 18% | 0.175 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -75.3 | -17.5 | 175.2 | -60.8 | 0 | 0 | 0 | 0 | 113.9 | V13 H14 E19 S26 | V13-S17 PolarHBondContact O-N 3.4Å; V13-S17 PolarHBondContact O-OG 3.37Å; H14-S17 PolarHBondContact O-N 3.19Å; H14-S17 VanDerWaalsContact O-N 3.16Å; S17-E19 PolarHBondContact O-N 3.24Å; S17-S26 WeakPolarHBondContact CB-OG 3.34Å; S17-S26 PolarHBondContact OG-OG 3.27Å |
| 18 | T | 53.3 | Low | 51.4 | Low | 80 Ų | 80 | 87.2 Ų | 87.2 | 49% | 0.491 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -13.5 | 173.6 | 21.6 | 0 | 0 | 0 | 0 | 113.7 | H14 E15 S16 G20 | H14-T18 PolarHBondContact O-N 3.47Å; H14-T18 PolarHBondContact O-OG1 2.73Å; E15-T18 VanDerWaalsContact C-OG1 3.23Å; E15-T18 WeakPolarHBondContact CA-OG1 3.2Å; E15-T18 PolarHBondContact O-OG1 3.07Å; S16-T18 VanDerWaalsContact C-N 3.33Å; T18-G20 VanDerWaalsContact C-N 3.27Å; T18-G20 PolarHBondContact O-N 2.65Å |
| 19 | E | 54.8 | Low | 51 | Low | 176 Ų | 176 | 94.6 Ų | 94.6 | 82% | 0.822 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | 62.3 | 165.1 | -70.1 | -170.6 | 131.2 | 0 | 0 | 111 | S17 Q21 | S17-E19 PolarHBondContact O-N 3.24Å; E19-Q21 PolarHBondContact O-N 2.91Å |
| 20 | G | 51.8 | Low | 50.7 | Low | 67 Ų | 67 | 93 Ų | 93 | 69% | 0.691 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.6 | 12.3 | 152.8 | 0 | 0 | 0 | 0 | 0 | 119.2 | T18 | T18-G20 VanDerWaalsContact C-N 3.27Å; T18-G20 PolarHBondContact O-N 2.65Å |
| 21 | Q | 47.1 | Very low | 50.2 | Low | 158 Ų | 158 | 95.1 Ų | 95.1 | 74% | 0.738 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -143.5 | 124.1 | 175.6 | -64.2 | -172.6 | -59.9 | 0 | 0 | 112.2 | E19 | E19-Q21 PolarHBondContact O-N 2.91Š|
| 22 | N | 53.7 | Low | 49.9 | Very low | 106 Ų | 106 | 95.5 Ų | 95.5 | 57% | 0.567 | 51% | 0.508 | S | S | * | . | trans | 60.3 | 73 | 169 | -64.2 | -4.8 | 0 | 0 | 0 | 118 | E24 E25 S26 | N22-E24 VanDerWaalsContact C-N 3.28Å; N22-E24 PolarHBondContact O-N 3.36Å; N22-E25 PolarHBondContact ND2-OE2 3.34Å; N22-E25 VanDerWaalsContact ND2-OE2 3.15Å; N22-S26 PolarHBondContact O-OG 3.15Å | ||
| 23 | H | 48 | Very low | 49.6 | Very low | 117 Ų | 117 | 96.3 Ų | 96.3 | 54% | 0.542 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.6 | -27.6 | 171.2 | -84.3 | -125.2 | 0 | 0 | 0 | 114.2 | Q27 | H23-Q27 WeakPolarHBondContact O-CG 3.45Å |
| 24 | E | 47.3 | Very low | 49.4 | Very low | 168 Ų | 168 | 95 Ų | 95 | 79% | 0.785 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -77 | -40.2 | -171.1 | -65.2 | -173.9 | 100.3 | 0 | 0 | 113.2 | N22 S26 | N22-E24 VanDerWaalsContact C-N 3.28Å; N22-E24 PolarHBondContact O-N 3.36Å; E24-S26 VanDerWaalsContact C-N 3.33Å; E24-S26 PolarHBondContact O-N 2.83Å |
| 25 | E | 44.5 | Very low | 49.3 | Very low | 130 Ų | 130 | 96.3 Ų | 96.3 | 61% | 0.607 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -70.9 | -33.7 | -179.9 | -67.7 | -176.5 | 103.1 | 0 | 0 | 111.8 | N22 Q27 | N22-E25 PolarHBondContact ND2-OE2 3.34Å; N22-E25 VanDerWaalsContact ND2-OE2 3.15Å; E25-Q27 VanDerWaalsContact C-N 3.34Å; E25-Q27 PolarHBondContact O-N 3.39Å |
| 26 | S | 42.5 | Very low | 49.4 | Very low | 14 Ų | 14 | 95.8 Ų | 95.8 | 10% | 0.098 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -75.8 | -22.4 | -176.4 | -53.4 | 0 | 0 | 0 | 0 | 112.8 | H14 S17 N22 E24 | H14-S26 VanDerWaalsContact ND1-CB 3.35Å; H14-S26 WeakPolarHBondContact ND1-CB 3.38Å; H14-S26 PolarHBondContact ND1-O 3.09Å; S17-S26 WeakPolarHBondContact CB-OG 3.34Å; S17-S26 PolarHBondContact OG-OG 3.27Å; N22-S26 PolarHBondContact O-OG 3.15Å; E24-S26 VanDerWaalsContact C-N 3.33Å; E24-S26 PolarHBondContact O-N 2.83Å |
| 27 | Q | 42 | Very low | 49.6 | Very low | 121 Ų | 121 | 93.5 Ų | 93.5 | 57% | 0.565 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -81.7 | -31.3 | 176.2 | -74.9 | -175.5 | -8.3 | 0 | 0 | 112.9 | H23 E25 F29 L30 A31 | H23-Q27 WeakPolarHBondContact O-CG 3.45Å; E25-Q27 VanDerWaalsContact C-N 3.34Å; E25-Q27 PolarHBondContact O-N 3.39Å; Q27-F29 VanDerWaalsContact C-N 3.3Å; Q27-F29 PolarHBondContact O-N 3Å; Q27-L30 PolarHBondContact O-N 3.24Å; Q27-A31 PolarHBondContact O-N 2.94Å |
| 28 | F | 45.1 | Very low | 49.8 | Very low | 170 Ų | 170 | 94 Ų | 94 | 75% | 0.746 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -67.1 | -31.1 | -175.2 | -133.1 | -89 | 0 | 0 | 0 | 113.1 | P32 | F28-P32 VanDerWaalsContact O-CD 3.26Å; F28-P32 WeakPolarHBondContact O-CD 3.17Å; F28-P32 WeakPolarHBondContact O-CG 3.49Å |
| 29 | F | 47.5 | Very low | 49.9 | Very low | 160 Ų | 160 | 93.5 Ų | 93.5 | 70% | 0.702 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -88.2 | -27.7 | 179.6 | -79.6 | -86.7 | 0 | 0 | 0 | 113.7 | Q27 L33 | Q27-F29 VanDerWaalsContact C-N 3.3Å; Q27-F29 PolarHBondContact O-N 3Å; F29-L33 WeakPolarHBondContact O-CB 3.11Å |
| 30 | L | 48.8 | Very low | 50 | Low | 32 Ų | 32 | 92.3 Ų | 92.3 | 17% | 0.168 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -87.6 | -34 | -173.1 | -93.5 | 163 | 0 | 0 | 0 | 114.4 | H14 Q27 L33 A34 | H14-L30 HydrophobicContact CB-CD1 3.16Å; H14-L30 HydrophobicContact CB-CG 4.47Å; H14-L30 WeakPolarHBondContact ND1-CD1 3.36Å; Q27-L30 PolarHBondContact O-N 3.24Å; L30-L33 PolarHBondContact O-N 3.37Å; L30-A34 VanDerWaalsContact O-CB 3.26Å; L30-A34 WeakPolarHBondContact O-CB 3.09Å; L30-A34 PolarHBondContact O-N 3.48Å |
| 31 | A | 48.9 | Very low | 50.4 | Low | 68 Ų | 68 | 90.9 Ų | 90.9 | 56% | 0.562 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.1 | -47 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113 | Q27 L33 A35 | Q27-A31 PolarHBondContact O-N 2.94Å; A31-L33 VanDerWaalsContact C-N 3.26Å; A31-L33 PolarHBondContact O-N 3.26Å; A31-A35 WeakPolarHBondContact O-CB 3.47Å; A31-A35 PolarHBondContact O-N 3.44Å; A31-A35 VanDerWaalsContact O-N 3.09Å |
| 32 | P | 50.7 | Low | 50.7 | Low | 81 Ų | 81 | 88.1 Ų | 88.1 | 53% | 0.526 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.2 | -31 | 177.3 | -15.3 | 30.2 | 0 | 0 | 0 | 111.8 | F28 A36 | F28-P32 VanDerWaalsContact O-CD 3.26Å; F28-P32 WeakPolarHBondContact O-CD 3.17Å; F28-P32 WeakPolarHBondContact O-CG 3.49Å; P32-A36 WeakPolarHBondContact O-CB 3.09Å; P32-A36 PolarHBondContact O-N 3.15Å |
| 33 | L | 50.8 | Low | 50.8 | Low | 41 Ų | 41 | 89.4 Ų | 89.4 | 22% | 0.215 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -78.4 | -44.1 | -173.1 | -168.3 | 72.7 | 0 | 0 | 0 | 111.9 | F7 F29 L30 A31 A35 A36 A37 | F7-L33 HydrophobicContact CB-CD2 4.46Å; F7-L33 HydrophobicContact CD1-CD1 3.54Å; F7-L33 HydrophobicContact CD1-CD2 3.75Å; F7-L33 HydrophobicContact CD1-CG 3.35Å; F7-L33 HydrophobicContact CD2-CD1 3.79Å; F7-L33 HydrophobicContact CD2-CG 4.44Å; F7-L33 HydrophobicContact CE1-CB 4.33Å; F7-L33 HydrophobicContact CE1-CD1 3.12Å; F7-L33 HydrophobicContact CE1-CD2 4.12Å; F7-L33 HydrophobicContact CE1-CG 3.2Å; F7-L33 WeakPolarHBondContact CE1-O 3.46Å; F7-L33 HydrophobicContact CE2-CD1 3.45Å; F7-L33 VanDerWaalsContact CE2-CD1 3.45Å; F7-L33 HydrophobicContact CE2-CG 4.38Å; F7-L33 HydrophobicContact CG-CD1 3.88Å; F7-L33 HydrophobicContact CG-CD2 4.07Å; F7-L33 HydrophobicContact CG-CG 4.02Å; F7-L33 HydrophobicContact CZ-CD1 3.12Å; F7-L33 HydrophobicContact CZ-CG 3.81Å; F29-L33 WeakPolarHBondContact O-CB 3.11Å; L30-L33 PolarHBondContact O-N 3.37Å; A31-L33 VanDerWaalsContact C-N 3.26Å; A31-L33 PolarHBondContact O-N 3.26Å; L33-A35 VanDerWaalsContact C-N 3.34Å; L33-A36 PolarHBondContact O-N 3.18Å; L33-A37 WeakPolarHBondContact O-CB 3.14Å; L33-A37 PolarHBondContact O-N 3.09Å |
| 34 | A | 51.4 | Low | 51.3 | Low | 52 Ų | 52 | 88.5 Ų | 88.5 | 43% | 0.43 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.7 | -36.7 | 171 | 0 | 0 | 0 | 0 | 0 | 111.6 | L30 G38 | L30-A34 VanDerWaalsContact O-CB 3.26Å; L30-A34 WeakPolarHBondContact O-CB 3.09Å; L30-A34 PolarHBondContact O-N 3.48Å; A34-G38 PolarHBondContact O-N 3.02Å |
| 35 | A | 53.5 | Low | 51.7 | Low | 84 Ų | 84 | 81.3 Ų | 81.3 | 69% | 0.694 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -66.5 | -39.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A31 L33 | A31-A35 WeakPolarHBondContact O-CB 3.47Å; A31-A35 PolarHBondContact O-N 3.44Å; A31-A35 VanDerWaalsContact O-N 3.09Å; L33-A35 VanDerWaalsContact C-N 3.34Å |
| 36 | A | 53.8 | Low | 52.2 | Low | 85 Ų | 85 | 80.7 Ų | 80.7 | 70% | 0.702 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -75.4 | -34.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | P32 L33 | P32-A36 WeakPolarHBondContact O-CB 3.09Å; P32-A36 PolarHBondContact O-N 3.15Å; L33-A36 PolarHBondContact O-N 3.18Å |
| 37 | A | 54.8 | Low | 52.9 | Low | 29 Ų | 29 | 82.6 Ų | 82.6 | 24% | 0.24 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -100.9 | -5.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | F7 L33 F41 | F7-A37 HydrophobicContact CD1-CB 4.03Å; F7-A37 HydrophobicContact CE1-CB 3.18Å; F7-A37 HydrophobicContact CZ-CB 3.76Å; L33-A37 WeakPolarHBondContact O-CB 3.14Å; L33-A37 PolarHBondContact O-N 3.09Å; A37-F41 HydrophobicContact CB-CB 3.58Å; A37-F41 HydrophobicContact CB-CD1 4.26Å; A37-F41 HydrophobicContact CB-CG 3.86Å; A37-F41 WeakPolarHBondContact O-CB 3.26Å; A37-F41 PolarHBondContact O-N 2.85Å |
| 38 | G | 55 | Low | 53.4 | Low | 34 Ų | 34 | 80 Ų | 80 | 35% | 0.351 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | 61.4 | 177.8 | 165.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | A34 H40 F41 | A34-G38 PolarHBondContact O-N 3.02Å; G38-H40 PolarHBondContact O-N 3.41Å; G38-F41 PolarHBondContact O-N 3.03Å |
| 39 | A | 55.8 | Low | 53.7 | Low | 70 Ų | 70 | 73.6 Ų | 73.6 | 58% | 0.579 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -57.6 | -25 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | F41 L42 Q43 | A39-F41 VanDerWaalsContact C-N 3.35Å; A39-L42 PolarHBondContact O-N 3.07Å; A39-Q43 PolarHBondContact O-N 3.37Å |
| 40 | H | 57 | Low | 53.9 | Low | 152 Ų | 152 | 72.9 Ų | 72.9 | 70% | 0.704 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -65.5 | -34.8 | 176.2 | -75.8 | -70.7 | 0 | 0 | 0 | 113.1 | G38 Q43 F44 | G38-H40 PolarHBondContact O-N 3.41Å; H40-Q43 PolarHBondContact O-N 3.13Å; H40-F44 VanDerWaalsContact O-CB 3.28Å; H40-F44 WeakPolarHBondContact O-CB 3.41Å; H40-F44 PolarHBondContact O-N 3.12Å |
| 41 | F | 60.5 | Low | 54.1 | Low | 36 Ų | 36 | 74.7 Ų | 74.7 | 16% | 0.158 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -71.2 | -39.8 | 177.1 | -175.2 | -106.5 | 0 | 0 | 0 | 111.4 | F7 A37 G38 A39 Q43 F44 L45 | F7-F41 HydrophobicContact CB-CE1 3.63Å; F7-F41 HydrophobicContact CB-CE2 3.76Å; F7-F41 HydrophobicContact CB-CZ 3.12Å; F7-F41 AromaticContact CD1-CD1 3.8Å; F7-F41 HydrophobicContact CD1-CD1 3.8Å; F7-F41 HydrophobicContact CD1-CD2 4.32Å; F7-F41 AromaticContact CD1-CE1 3.49Å; F7-F41 HydrophobicContact CD1-CE1 3.49Å; F7-F41 VanDerWaalsContact CD1-CE1 3.49Å; F7-F41 HydrophobicContact CD1-CE2 4.07Å; F7-F41 HydrophobicContact CD1-CG 4.23Å; F7-F41 AromaticContact CD1-CZ 3.69Å; F7-F41 HydrophobicContact CD1-CZ 3.69Å; F7-F41 HydrophobicContact CE1-CD1 4.46Å; F7-F41 HydrophobicContact CG-CE1 4.01Å; F7-F41 HydrophobicContact CG-CE2 4.09Å; F7-F41 AromaticContact CG-CZ 3.75Å; F7-F41 HydrophobicContact CG-CZ 3.75Å; A37-F41 HydrophobicContact CB-CB 3.58Å; A37-F41 HydrophobicContact CB-CD1 4.26Å; A37-F41 HydrophobicContact CB-CG 3.86Å; A37-F41 WeakPolarHBondContact O-CB 3.26Å; A37-F41 PolarHBondContact O-N 2.85Å; G38-F41 PolarHBondContact O-N 3.03Å; A39-F41 VanDerWaalsContact C-N 3.35Å; F41-Q43 PolarHBondContact O-N 3.41Å; F41-F44 HydrophobicContact CD2-CD1 4.49Å; F41-F44 HydrophobicContact CE2-CD1 4.34Å; F41-F44 PolarHBondContact O-N 3.11Å; F41-L45 HydrophobicContact CD1-CD1 3.89Å; F41-L45 HydrophobicContact CD1-CG 4.02Å; F41-L45 HydrophobicContact CE1-CD1 3.37Å; F41-L45 HydrophobicContact CE1-CD2 3.83Å; F41-L45 HydrophobicContact CE1-CG 3.56Å; F41-L45 HydrophobicContact CE2-CD2 4.13Å; F41-L45 HydrophobicContact CE2-CG 4.3Å; F41-L45 HydrophobicContact CZ-CD1 3.94Å; F41-L45 HydrophobicContact CZ-CD2 3.45Å; F41-L45 VanDerWaalsContact CZ-CD2 3.45Å; F41-L45 HydrophobicContact CZ-CG 3.67Å; F41-L45 WeakPolarHBondContact O-CB 3.3Å; F41-L45 VanDerWaalsContact O-CG 3.28Å; F41-L45 WeakPolarHBondContact O-CG 3.41Å; F41-L45 PolarHBondContact O-N 2.99Å |
| 42 | L | 53.4 | Low | 54.3 | Low | 100 Ų | 100 | 75.7 Ų | 75.7 | 52% | 0.524 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64.3 | -38.6 | 173.7 | -73.5 | 167.6 | 0 | 0 | 0 | 112.3 | A39 L45 N46 | A39-L42 PolarHBondContact O-N 3.07Å; L42-L45 HydrophobicContact CD2-CD1 4.48Å; L42-L45 PolarHBondContact O-N 3.45Å; L42-N46 VanDerWaalsContact O-CB 3.25Å; L42-N46 WeakPolarHBondContact O-CB 3.41Å; L42-N46 PolarHBondContact O-N 3.41Å |
| 43 | Q | 55.7 | Low | 54.6 | Low | 133 Ų | 133 | 76.4 Ų | 76.4 | 62% | 0.621 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -68.4 | -37.8 | 172.9 | -76.2 | -178.4 | -19.7 | 0 | 0 | 112.6 | A39 H40 F41 N46 G47 | A39-Q43 PolarHBondContact O-N 3.37Å; H40-Q43 PolarHBondContact O-N 3.13Å; F41-Q43 PolarHBondContact O-N 3.41Å; Q43-N46 PolarHBondContact O-N 3.01Å; Q43-G47 PolarHBondContact O-N 3.05Å |
| 44 | F | 58.4 | Low | 54.9 | Low | 98 Ų | 98 | 78.5 Ų | 78.5 | 43% | 0.43 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.6 | -43.2 | 173 | 176.9 | -96.6 | 0 | 0 | 0 | 111 | H40 F41 G47 C48 | H40-F44 VanDerWaalsContact O-CB 3.28Å; H40-F44 WeakPolarHBondContact O-CB 3.41Å; H40-F44 PolarHBondContact O-N 3.12Å; F41-F44 HydrophobicContact CD2-CD1 4.49Å; F41-F44 HydrophobicContact CE2-CD1 4.34Å; F41-F44 PolarHBondContact O-N 3.11Å; F44-G47 PolarHBondContact O-N 2.76Å; F44-C48 HydrophobicContact CE1-CB 4.46Å; F44-C48 WeakPolarHBondContact CE2-SG 3.44Å; F44-C48 HydrophobicContact CZ-CB 4.45Å; F44-C48 VanDerWaalsContact CZ-SG 3.55Å; F44-C48 WeakPolarHBondContact O-CB 3.25Å; F44-C48 PolarHBondContact O-N 3.49Å |
| 45 | L | 56.5 | Low | 55 | Low | 18 Ų | 18 | 76.5 Ų | 76.5 | 9% | 0.094 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -61.1 | -46.6 | 173.8 | -72.8 | -175.7 | 0 | 0 | 0 | 110.6 | I8 F11 F41 L42 G47 C48 F49 | I8-L45 HydrophobicContact CG1-CD2 4.08Å; F11-L45 HydrophobicContact CD2-CD1 4.32Å; F11-L45 HydrophobicContact CG-CD1 4.47Å; F41-L45 HydrophobicContact CD1-CD1 3.89Å; F41-L45 HydrophobicContact CD1-CG 4.02Å; F41-L45 HydrophobicContact CE1-CD1 3.37Å; F41-L45 HydrophobicContact CE1-CD2 3.83Å; F41-L45 HydrophobicContact CE1-CG 3.56Å; F41-L45 HydrophobicContact CE2-CD2 4.13Å; F41-L45 HydrophobicContact CE2-CG 4.3Å; F41-L45 HydrophobicContact CZ-CD1 3.94Å; F41-L45 HydrophobicContact CZ-CD2 3.45Å; F41-L45 VanDerWaalsContact CZ-CD2 3.45Å; F41-L45 HydrophobicContact CZ-CG 3.67Å; F41-L45 WeakPolarHBondContact O-CB 3.3Å; F41-L45 VanDerWaalsContact O-CG 3.28Å; F41-L45 WeakPolarHBondContact O-CG 3.41Å; F41-L45 PolarHBondContact O-N 2.99Å; L42-L45 HydrophobicContact CD2-CD1 4.48Å; L42-L45 PolarHBondContact O-N 3.45Å; L45-G47 VanDerWaalsContact C-N 3.33Å; L45-G47 PolarHBondContact O-N 3.26Å; L45-C48 PolarHBondContact O-N 3.45Å; L45-F49 HydrophobicContact CB-CD2 4.1Å; L45-F49 HydrophobicContact CD2-CD2 3.54Å; L45-F49 HydrophobicContact CD2-CE2 3.36Å; L45-F49 HydrophobicContact CG-CD2 4.43Å; L45-F49 WeakPolarHBondContact O-CA 3.28Å; L45-F49 WeakPolarHBondContact O-CB 3.42Å; L45-F49 VanDerWaalsContact O-CD2 3.25Å; L45-F49 WeakPolarHBondContact O-CD2 3.18Å; L45-F49 PolarHBondContact O-N 3.26Å |
| 46 | N | 54.5 | Low | 55 | Low | 116 Ų | 116 | 78.1 Ų | 78.1 | 62% | 0.62 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -66.2 | -36.5 | -180 | -155.2 | 4.5 | 0 | 0 | 0 | 111.7 | L42 Q43 L50 | L42-N46 VanDerWaalsContact O-CB 3.25Å; L42-N46 WeakPolarHBondContact O-CB 3.41Å; L42-N46 PolarHBondContact O-N 3.41Å; Q43-N46 PolarHBondContact O-N 3.01Å; N46-L50 VanDerWaalsContact O-CG 3.32Å; N46-L50 WeakPolarHBondContact O-CG 3.33Å |
| 47 | G | 57.1 | Low | 55.2 | Low | 55 Ų | 55 | 81.1 Ų | 81.1 | 57% | 0.567 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -75.9 | -36.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q43 F44 L45 | Q43-G47 PolarHBondContact O-N 3.05Å; F44-G47 PolarHBondContact O-N 2.76Å; L45-G47 VanDerWaalsContact C-N 3.33Å; L45-G47 PolarHBondContact O-N 3.26Å |
| 48 | C | 51.9 | Low | 55.1 | Low | 66 Ų | 66 | 85 Ų | 85 | 45% | 0.446 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -87.6 | -23.1 | 180 | -77.4 | 0 | 0 | 0 | 0 | 113.7 | F44 L45 | F44-C48 HydrophobicContact CE1-CB 4.46Å; F44-C48 WeakPolarHBondContact CE2-SG 3.44Å; F44-C48 HydrophobicContact CZ-CB 4.45Å; F44-C48 VanDerWaalsContact CZ-SG 3.55Å; F44-C48 WeakPolarHBondContact O-CB 3.25Å; F44-C48 PolarHBondContact O-N 3.49Å; L45-C48 PolarHBondContact O-N 3.45Å |
| 49 | F | 52.3 | Low | 54.9 | Low | 35 Ų | 35 | 85.1 Ų | 85.1 | 15% | 0.154 | 45% | 0.45 | C | S | . | . | trans | -119.6 | 27.3 | -173.4 | -55.5 | -63.4 | 0 | 0 | 0 | 114.6 | I8 L45 N51 L55 | I8-F49 HydrophobicContact CD1-CE1 4.37Å; I8-F49 HydrophobicContact CD1-CE2 3.85Å; I8-F49 HydrophobicContact CD1-CZ 3.33Å; I8-F49 HydrophobicContact CG1-CE2 3.7Å; I8-F49 HydrophobicContact CG1-CZ 3.63Å; I8-F49 HydrophobicContact CG2-CZ 4.46Å; L45-F49 HydrophobicContact CB-CD2 4.1Å; L45-F49 HydrophobicContact CD2-CD2 3.54Å; L45-F49 HydrophobicContact CD2-CE2 3.36Å; L45-F49 HydrophobicContact CG-CD2 4.43Å; L45-F49 WeakPolarHBondContact O-CA 3.28Å; L45-F49 WeakPolarHBondContact O-CB 3.42Å; L45-F49 VanDerWaalsContact O-CD2 3.25Å; L45-F49 WeakPolarHBondContact O-CD2 3.18Å; L45-F49 PolarHBondContact O-N 3.26Å; F49-N51 CarbonylContact O-C 3.57Å; F49-N51 PolarHBondContact O-N 3.37Å; F49-L55 HydrophobicContact CB-CD2 4.48Å; F49-L55 HydrophobicContact CD1-CB 3.43Å; F49-L55 VanDerWaalsContact CD1-CB 3.43Å; F49-L55 HydrophobicContact CD1-CD1 3.48Å; F49-L55 VanDerWaalsContact CD1-CD1 3.48Å; F49-L55 HydrophobicContact CD1-CD2 4.13Å; F49-L55 HydrophobicContact CD1-CG 3.82Å; F49-L55 HydrophobicContact CE1-CB 3.95Å; F49-L55 HydrophobicContact CE1-CD1 3.22Å; F49-L55 HydrophobicContact CE1-CG 4.07Å; F49-L55 HydrophobicContact CE2-CD1 4.41Å; F49-L55 HydrophobicContact CG-CB 4.21Å; F49-L55 HydrophobicContact CG-CD1 4.15Å; F49-L55 HydrophobicContact CG-CD2 4.2Å; F49-L55 HydrophobicContact CG-CG 4.39Å; F49-L55 HydrophobicContact CZ-CD1 3.77Å | ||
| 50 | L | 51.7 | Low | 54.8 | Low | 146 Ų | 146 | 88.4 Ų | 88.4 | 76% | 0.764 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -55.2 | -2.2 | 165.2 | -96.8 | 156.8 | 0 | 0 | 0 | 114.2 | N46 | N46-L50 VanDerWaalsContact O-CG 3.32Å; N46-L50 WeakPolarHBondContact O-CG 3.33Å |
| 51 | N | 52.6 | Low | 54.6 | Low | 69 Ų | 69 | 86.7 Ų | 86.7 | 37% | 0.369 | 45% | 0.454 | S | S | . | . | trans | -136.7 | 108.5 | 165.3 | -162.2 | -22 | 0 | 0 | 0 | 110.1 | F49 D53 N54 L55 | F49-N51 CarbonylContact O-C 3.57Å; F49-N51 PolarHBondContact O-N 3.37Å; N51-D53 PolarHBondContact O-N 2.94Å; N51-D53 VanDerWaalsContact O-N 3.1Å; N51-D53 VanDerWaalsContact OD1-CB 3.25Å; N51-D53 WeakPolarHBondContact OD1-CB 3.38Å; N51-D53 PolarHBondContact OD1-N 3.07Å; N51-D53 VanDerWaalsContact OD1-N 3.07Å; N51-D53 PolarHBondContact OD1-OD2 2.81Å; N51-D53 VanDerWaalsContact OD1-OD2 3.07Å; N51-N54 HydrophobicContact CB-CB 4.33Å; N51-N54 WeakPolarHBondContact O-CB 3.48Å; N51-N54 PolarHBondContact O-N 3.1Å; N51-L55 PolarHBondContact O-N 2.86Å | ||
| 52 | M | 52.7 | Low | 54 | Low | 89 Ų | 89 | 92 Ų | 92 | 44% | 0.438 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -54.9 | -25.6 | 174 | -78.9 | -150.1 | 86 | 0 | 0 | 112.4 | L55 K56 | M52-L55 WeakPolarHBondContact O-CB 3.25Å; M52-L55 PolarHBondContact O-N 3.49Å; M52-K56 WeakPolarHBondContact O-CG 3.44Å; M52-K56 PolarHBondContact O-N 3.46Å |
| 53 | D | 56.9 | Low | 54 | Low | 96 Ų | 96 | 91.6 Ų | 91.6 | 51% | 0.513 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.2 | -35.6 | 175 | -65 | -63 | 0 | 0 | 0 | 112.4 | N51 K57 | N51-D53 PolarHBondContact O-N 2.94Å; N51-D53 VanDerWaalsContact O-N 3.1Å; N51-D53 VanDerWaalsContact OD1-CB 3.25Å; N51-D53 WeakPolarHBondContact OD1-CB 3.38Å; N51-D53 PolarHBondContact OD1-N 3.07Å; N51-D53 VanDerWaalsContact OD1-N 3.07Å; N51-D53 PolarHBondContact OD1-OD2 2.81Å; N51-D53 VanDerWaalsContact OD1-OD2 3.07Å; D53-K57 VanDerWaalsContact O-CG 3.3Å; D53-K57 WeakPolarHBondContact O-CG 3.28Å; D53-K57 PolarHBondContact O-N 2.79Å; D53-K57 VanDerWaalsContact O-N 3.11Å |
| 54 | N | 57.1 | Low | 53.9 | Low | 86 Ų | 86 | 89.4 Ų | 89.4 | 46% | 0.46 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -73.1 | -34.4 | 176.2 | -71.3 | -21.8 | 0 | 0 | 0 | 111.3 | N51 K57 L58 | N51-N54 HydrophobicContact CB-CB 4.33Å; N51-N54 WeakPolarHBondContact O-CB 3.48Å; N51-N54 PolarHBondContact O-N 3.1Å; N54-K57 PolarHBondContact O-N 3.07Å; N54-L58 PolarHBondContact O-N 3.37Å; N54-L58 VanDerWaalsContact O-N 3.13Å |
| 55 | L | 54.4 | Low | 53.7 | Low | 9 Ų | 9 | 88.9 Ų | 88.9 | 5% | 0.047 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -61.3 | -49.2 | 173.1 | 178 | 50.7 | 0 | 0 | 0 | 111.2 | I8 V12 F49 N51 M52 K57 L58 V59 | I8-L55 HydrophobicContact CB-CD1 4.45Å; I8-L55 HydrophobicContact CG2-CD1 3.13Å; I8-L55 HydrophobicContact CG2-CG 4.42Å; V12-L55 HydrophobicContact CG2-CD1 4.39Å; V12-L55 HydrophobicContact CG2-CD2 3.77Å; V12-L55 HydrophobicContact CG2-CG 4.15Å; F49-L55 HydrophobicContact CB-CD2 4.48Å; F49-L55 HydrophobicContact CD1-CB 3.43Å; F49-L55 VanDerWaalsContact CD1-CB 3.43Å; F49-L55 HydrophobicContact CD1-CD1 3.48Å; F49-L55 VanDerWaalsContact CD1-CD1 3.48Å; F49-L55 HydrophobicContact CD1-CD2 4.13Å; F49-L55 HydrophobicContact CD1-CG 3.82Å; F49-L55 HydrophobicContact CE1-CB 3.95Å; F49-L55 HydrophobicContact CE1-CD1 3.22Å; F49-L55 HydrophobicContact CE1-CG 4.07Å; F49-L55 HydrophobicContact CE2-CD1 4.41Å; F49-L55 HydrophobicContact CG-CB 4.21Å; F49-L55 HydrophobicContact CG-CD1 4.15Å; F49-L55 HydrophobicContact CG-CD2 4.2Å; F49-L55 HydrophobicContact CG-CG 4.39Å; F49-L55 HydrophobicContact CZ-CD1 3.77Å; N51-L55 PolarHBondContact O-N 2.86Å; M52-L55 WeakPolarHBondContact O-CB 3.25Å; M52-L55 PolarHBondContact O-N 3.49Å; L55-K57 VanDerWaalsContact C-N 3.33Å; L55-K57 PolarHBondContact O-N 3.02Å; L55-L58 PolarHBondContact O-N 2.81Å; L55-L58 VanDerWaalsContact O-N 3.12Å; L55-V59 HydrophobicContact CD1-CG2 3.81Å; L55-V59 WeakPolarHBondContact O-CG2 3.21Å; L55-V59 PolarHBondContact O-N 3.4Å |
| 56 | K | 52.6 | Low | 53.5 | Low | 119 Ų | 119 | 93.1 Ų | 93.1 | 52% | 0.517 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -59.4 | -42.2 | 177.7 | -75.4 | 177.7 | 178.5 | 178.8 | 0 | 112 | M52 L58 V59 F60 | M52-K56 WeakPolarHBondContact O-CG 3.44Å; M52-K56 PolarHBondContact O-N 3.46Å; K56-L58 VanDerWaalsContact C-N 3.28Å; K56-L58 PolarHBondContact O-N 3.44Å; K56-V59 PolarHBondContact O-N 2.84Å; K56-F60 WeakPolarHBondContact O-CB 3.25Å; K56-F60 PolarHBondContact O-N 3.44Å |
| 57 | K | 58.8 | Low | 53.4 | Low | 147 Ų | 147 | 91.6 Ų | 91.6 | 64% | 0.639 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.9 | -31.2 | 175.7 | -73.7 | 172.3 | -176.2 | 175.6 | 0 | 113.8 | D53 N54 L55 | D53-K57 VanDerWaalsContact O-CG 3.3Å; D53-K57 WeakPolarHBondContact O-CG 3.28Å; D53-K57 PolarHBondContact O-N 2.79Å; D53-K57 VanDerWaalsContact O-N 3.11Å; N54-K57 PolarHBondContact O-N 3.07Å; L55-K57 VanDerWaalsContact C-N 3.33Å; L55-K57 PolarHBondContact O-N 3.02Å |
| 58 | L | 52.3 | Low | 53.2 | Low | 110 Ų | 110 | 94.1 Ų | 94.1 | 58% | 0.576 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -79.2 | -38.9 | 179.4 | -160.2 | 96.3 | 0 | 0 | 0 | 112 | I8 N54 L55 K56 | I8-L58 HydrophobicContact CD1-CD2 4.3Å; N54-L58 PolarHBondContact O-N 3.37Å; N54-L58 VanDerWaalsContact O-N 3.13Å; L55-L58 PolarHBondContact O-N 2.81Å; L55-L58 VanDerWaalsContact O-N 3.12Å; K56-L58 VanDerWaalsContact C-N 3.28Å; K56-L58 PolarHBondContact O-N 3.44Å |
| 59 | V | 49.7 | Very low | 53.3 | Low | 38 Ų | 38 | 96.1 Ų | 96.1 | 23% | 0.23 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -81.4 | -36.1 | -176.8 | 176.3 | 0 | 0 | 0 | 0 | 111.8 | I8 L55 K56 P61 | I8-V59 HydrophobicContact CG2-CG2 3.53Å; L55-V59 HydrophobicContact CD1-CG2 3.81Å; L55-V59 WeakPolarHBondContact O-CG2 3.21Å; L55-V59 PolarHBondContact O-N 3.4Å; K56-V59 PolarHBondContact O-N 2.84Å; V59-P61 VanDerWaalsContact C-CD 3.45Å; V59-P61 WeakPolarHBondContact O-CD 3.32Å |
| 60 | F | 55.2 | Low | 53.4 | Low | 139 Ų | 139 | 100.8 Ų | 100.8 | 61% | 0.61 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -114 | 82.7 | 178.1 | -56.2 | -78.7 | 0 | 0 | 0 | 109 | K56 G62 | K56-F60 WeakPolarHBondContact O-CB 3.25Å; K56-F60 PolarHBondContact O-N 3.44Å; F60-G62 PolarHBondContact O-N 2.8Å |
| 61 | P | 51.9 | Low | 53.5 | Low | 115 Ų | 115 | 97 Ų | 97 | 75% | 0.747 | 56% | 0.555 | S | S | * | * | trans | -69.1 | 90.3 | 167.9 | 29.3 | -31.7 | 0 | 0 | 0 | 107.8 | V59 | V59-P61 VanDerWaalsContact C-CD 3.45Å; V59-P61 WeakPolarHBondContact O-CD 3.32Å | ||
| 62 | G | 48 | Very low | 53.6 | Low | 147 Ų | 147 | 99.5 Ų | 99.5 | 100% | 1.515 | 57% | 0.572 | S | S | * | * | trans | -81.5 | 0 | 164.2 | 0 | 0 | 0 | 0 | 0 | 111 | F60 | F60-G62 PolarHBondContact O-N 2.8Š|
Retrieved 62 of 62 residues in 103.7 ms
(Link to these results)