| 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 | 51.5 | Low | 66.4 | Low | 204 Ų | 204 | 102.7 Ų | 102.7 | 100% | 1.005 | 52% | 0.524 | S | S | * | . | 0 | -58.5 | 0 | -61.1 | -57.7 | -174.9 | 0 | 0 | 111.9 | L3 H4 F5 | M1-L3 PolarHBondContact O-N 3Å; M1-H4 PolarHBondContact O-N 3.46Å; M1-F5 PolarHBondContact O-N 2.97Å | |||
| 2 | L | 63.1 | Low | 66.9 | Low | 94 Ų | 94 | 105.4 Ų | 105.4 | 49% | 0.492 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -56.3 | -46.7 | -175.3 | -162 | 77.2 | 0 | 0 | 0 | 114.9 | H4 F5 L6 F37 L41 | L2-H4 VanDerWaalsContact C-N 3.34Å; L2-H4 PolarHBondContact O-N 2.95Å; L2-F5 PolarHBondContact O-N 2.95Å; L2-L6 PolarHBondContact O-N 2.89Å; L2-F37 HydrophobicContact CD1-CD2 4.35Å; L2-F37 HydrophobicContact CD1-CE2 3.43Å; L2-F37 VanDerWaalsContact CD1-CE2 3.43Å; L2-F37 HydrophobicContact CD1-CZ 4.03Å; L2-F37 HydrophobicContact CD2-CE2 3.89Å; L2-F37 HydrophobicContact CD2-CZ 3.55Å; L2-F37 HydrophobicContact CG-CE2 3.5Å; L2-F37 HydrophobicContact CG-CZ 3.63Å; L2-L41 HydrophobicContact CD2-CD1 3.8Å; L2-L41 HydrophobicContact CD2-CD2 4.08Å; L2-L41 HydrophobicContact CD2-CG 4.26Å |
| 3 | L | 64 | Low | 67 | Low | 129 Ų | 129 | 98.2 Ų | 98.2 | 68% | 0.675 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.6 | -38.6 | -179.5 | -166.6 | 74.4 | 0 | 0 | 0 | 112.6 | M1 L6 L7 | M1-L3 PolarHBondContact O-N 3Å; L3-L6 PolarHBondContact O-N 3.17Å; L3-L7 PolarHBondContact O-N 3.08Å |
| 4 | H | 59.9 | Low | 67.3 | Low | 137 Ų | 137 | 102.6 Ų | 102.6 | 63% | 0.634 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66 | -39.6 | 177.4 | -80.1 | 85.7 | 0 | 0 | 0 | 111.4 | M1 L2 L7 L8 | M1-H4 PolarHBondContact O-N 3.46Å; L2-H4 VanDerWaalsContact C-N 3.34Å; L2-H4 PolarHBondContact O-N 2.95Å; H4-L7 PolarHBondContact O-N 2.92Å; H4-L8 WeakPolarHBondContact O-CG 3.36Å; H4-L8 PolarHBondContact O-N 3.39Å |
| 5 | F | 69.7 | Low | 67.3 | Low | 127 Ų | 127 | 104.5 Ų | 104.5 | 56% | 0.557 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.4 | -41.8 | 175.3 | -170.3 | -98.4 | 0 | 0 | 0 | 111.6 | M1 L2 L7 L8 F9 F33 | M1-F5 PolarHBondContact O-N 2.97Å; L2-F5 PolarHBondContact O-N 2.95Å; F5-L7 VanDerWaalsContact C-N 3.32Å; F5-L7 PolarHBondContact O-N 3.37Å; F5-L8 PolarHBondContact O-N 3.48Å; F5-F9 VanDerWaalsContact O-CB 3.25Å; F5-F9 WeakPolarHBondContact O-CB 3.33Å; F5-F9 PolarHBondContact O-N 3.03Å; F5-F33 HydrophobicContact CE1-CE2 4.24Å |
| 6 | L | 68 | Low | 67.2 | Low | 45 Ų | 45 | 105.6 Ų | 105.6 | 24% | 0.236 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -61.7 | -40.7 | 177 | -147.3 | 108.3 | 0 | 0 | 0 | 112 | L2 L3 S10 F33 F37 | L2-L6 PolarHBondContact O-N 2.89Å; L3-L6 PolarHBondContact O-N 3.17Å; L6-S10 PolarHBondContact O-N 3.17Å; L6-F33 HydrophobicContact CD1-CE1 3.8Å; L6-F33 HydrophobicContact CD1-CZ 4.06Å; L6-F33 HydrophobicContact CG-CE1 4.15Å; L6-F33 HydrophobicContact CG-CZ 4.41Å; L6-F37 HydrophobicContact CD1-CD1 4.17Å; L6-F37 HydrophobicContact CD1-CD2 3.98Å; L6-F37 HydrophobicContact CD1-CE1 3.73Å; L6-F37 HydrophobicContact CD1-CE2 3.5Å; L6-F37 HydrophobicContact CD1-CG 4.27Å; L6-F37 HydrophobicContact CD1-CZ 3.36Å |
| 7 | L | 67.6 | Low | 66.9 | Low | 104 Ų | 104 | 100.8 Ų | 100.8 | 55% | 0.545 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64 | -52.1 | 175.5 | -106.9 | 157.8 | 0 | 0 | 0 | 111.9 | L3 H4 F5 F9 S10 V11 | L3-L7 PolarHBondContact O-N 3.08Å; H4-L7 PolarHBondContact O-N 2.92Å; F5-L7 VanDerWaalsContact C-N 3.32Å; F5-L7 PolarHBondContact O-N 3.37Å; L7-F9 PolarHBondContact O-N 2.96Å; L7-S10 PolarHBondContact O-N 2.77Å; L7-S10 VanDerWaalsContact O-N 3.16Å; L7-S10 PolarHBondContact O-OG 2.78Å; L7-V11 PolarHBondContact O-N 3.34Å; L7-V11 VanDerWaalsContact O-N 3.13Å |
| 8 | L | 72.1 | Confident | 66.8 | Low | 125 Ų | 125 | 103.2 Ų | 103.2 | 65% | 0.654 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59.5 | -39.3 | 177.6 | -71.8 | 173.9 | 0 | 0 | 0 | 111.7 | H4 F5 V11 F12 | H4-L8 WeakPolarHBondContact O-CG 3.36Å; H4-L8 PolarHBondContact O-N 3.39Å; F5-L8 PolarHBondContact O-N 3.48Å; L8-V11 PolarHBondContact O-N 3.32Å; L8-F12 PolarHBondContact O-N 2.65Å |
| 9 | F | 72.4 | Confident | 66.7 | Low | 47 Ų | 47 | 102.3 Ų | 102.3 | 21% | 0.206 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -64.8 | -42.6 | 177.1 | -167.6 | -101.5 | 0 | 0 | 0 | 111.7 | F5 L7 V11 F12 L13 F33 | F5-F9 VanDerWaalsContact O-CB 3.25Å; F5-F9 WeakPolarHBondContact O-CB 3.33Å; F5-F9 PolarHBondContact O-N 3.03Å; L7-F9 PolarHBondContact O-N 2.96Å; F9-V11 VanDerWaalsContact C-N 3.32Å; F9-V11 PolarHBondContact O-N 3.11Å; F9-F12 PolarHBondContact O-N 3.32Å; F9-L13 HydrophobicContact CD1-CD1 3.72Å; F9-L13 HydrophobicContact CD1-CG 3.9Å; F9-L13 HydrophobicContact CE1-CD1 3.49Å; F9-L13 VanDerWaalsContact CE1-CD1 3.49Å; F9-L13 HydrophobicContact CE1-CD2 3.79Å; F9-L13 HydrophobicContact CE1-CG 3.64Å; F9-L13 HydrophobicContact CZ-CD1 4.43Å; F9-L13 HydrophobicContact CZ-CD2 3.92Å; F9-L13 HydrophobicContact CZ-CG 4.17Å; F9-L13 WeakPolarHBondContact O-CG 2.94Å; F9-L13 PolarHBondContact O-N 2.62Å; F9-F33 HydrophobicContact CB-CE2 4.22Å; F9-F33 HydrophobicContact CB-CZ 4.13Å; F9-F33 HydrophobicContact CD1-CB 4.47Å; F9-F33 AromaticContact CD1-CD1 3.83Å; F9-F33 HydrophobicContact CD1-CD1 3.83Å; F9-F33 AromaticContact CD1-CD2 3.42Å; F9-F33 HydrophobicContact CD1-CD2 3.42Å; F9-F33 VanDerWaalsContact CD1-CD2 3.42Å; F9-F33 AromaticContact CD1-CE1 3.79Å; F9-F33 HydrophobicContact CD1-CE1 3.79Å; F9-F33 AromaticContact CD1-CE2 3.36Å; F9-F33 HydrophobicContact CD1-CE2 3.36Å; F9-F33 AromaticContact CD1-CG 3.63Å; F9-F33 HydrophobicContact CD1-CG 3.63Å; F9-F33 AromaticContact CD1-CZ 3.55Å; F9-F33 HydrophobicContact CD1-CZ 3.55Å; F9-F33 HydrophobicContact CD2-CD2 4.22Å; F9-F33 AromaticContact CD2-CE2 3.95Å; F9-F33 HydrophobicContact CD2-CE2 3.95Å; F9-F33 HydrophobicContact CE1-CB 3.59Å; F9-F33 AromaticContact CE1-CD1 3.8Å; F9-F33 HydrophobicContact CE1-CD1 3.8Å; F9-F33 AromaticContact CE1-CD2 3.07Å; F9-F33 HydrophobicContact CE1-CD2 3.07Å; F9-F33 HydrophobicContact CE1-CE1 4.23Å; F9-F33 AromaticContact CE1-CE2 3.57Å; F9-F33 HydrophobicContact CE1-CE2 3.57Å; F9-F33 AromaticContact CE1-CG 3.18Å; F9-F33 HydrophobicContact CE1-CG 3.18Å; F9-F33 HydrophobicContact CE1-CZ 4.12Å; F9-F33 AromaticContact CE2-CD2 3.96Å; F9-F33 HydrophobicContact CE2-CD2 3.96Å; F9-F33 HydrophobicContact CE2-CE2 4.14Å; F9-F33 AromaticContact CG-CD2 3.98Å; F9-F33 HydrophobicContact CG-CD2 3.98Å; F9-F33 AromaticContact CG-CE2 3.55Å; F9-F33 HydrophobicContact CG-CE2 3.55Å; F9-F33 AromaticContact CG-CZ 3.86Å; F9-F33 HydrophobicContact CG-CZ 3.86Å; F9-F33 HydrophobicContact CZ-CB 4.09Å; F9-F33 AromaticContact CZ-CD2 3.38Å; F9-F33 HydrophobicContact CZ-CD2 3.38Å; F9-F33 AromaticContact CZ-CE2 3.96Å; F9-F33 HydrophobicContact CZ-CE2 3.96Å; F9-F33 AromaticContact CZ-CG 3.87Å; F9-F33 HydrophobicContact CZ-CG 3.87Å |
| 10 | S | 72.4 | Confident | 66.6 | Low | 46 Ų | 46 | 100 Ų | 100 | 32% | 0.322 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.3 | -42.2 | 175.5 | 73.4 | 0 | 0 | 0 | 0 | 112.5 | L6 L7 L13 F14 | L6-S10 PolarHBondContact O-N 3.17Å; L7-S10 PolarHBondContact O-N 2.77Å; L7-S10 VanDerWaalsContact O-N 3.16Å; L7-S10 PolarHBondContact O-OG 2.78Å; S10-L13 WeakPolarHBondContact O-CB 3.39Å; S10-L13 PolarHBondContact O-N 2.89Å; S10-F14 WeakPolarHBondContact O-CD2 3.43Å; S10-F14 PolarHBondContact O-N 3.11Å |
| 11 | V | 69.5 | Low | 66.4 | Low | 72 Ų | 72 | 98.4 Ų | 98.4 | 44% | 0.436 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.7 | -44 | 176.4 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | L7 L8 F9 L13 F14 H15 | L7-V11 PolarHBondContact O-N 3.34Å; L7-V11 VanDerWaalsContact O-N 3.13Å; L8-V11 PolarHBondContact O-N 3.32Å; F9-V11 VanDerWaalsContact C-N 3.32Å; F9-V11 PolarHBondContact O-N 3.11Å; V11-L13 PolarHBondContact O-N 3.28Å; V11-F14 PolarHBondContact O-N 2.92Å; V11-H15 PolarHBondContact O-CD2 2.97Å; V11-H15 PolarHBondContact O-N 3.49Å |
| 12 | F | 72.8 | Confident | 66.7 | Low | 135 Ų | 135 | 94.8 Ų | 94.8 | 59% | 0.592 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.6 | -42.3 | 176.8 | -172.8 | -96.3 | 0 | 0 | 0 | 112.4 | L8 F9 H15 Y16 | L8-F12 PolarHBondContact O-N 2.65Å; F9-F12 PolarHBondContact O-N 3.32Å; F12-H15 PolarHBondContact O-N 3.37Å; F12-Y16 WeakPolarHBondContact O-CB 3.41Å; F12-Y16 PolarHBondContact O-N 3.46Å |
| 13 | L | 68.6 | Low | 66.4 | Low | 12 Ų | 12 | 95.2 Ų | 95.2 | 6% | 0.063 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -59.9 | -45.6 | 174.1 | -71.6 | -179.9 | 0 | 0 | 0 | 111.6 | F9 S10 V11 H15 Y16 V17 L26 L29 I30 | F9-L13 HydrophobicContact CD1-CD1 3.72Å; F9-L13 HydrophobicContact CD1-CG 3.9Å; F9-L13 HydrophobicContact CE1-CD1 3.49Å; F9-L13 VanDerWaalsContact CE1-CD1 3.49Å; F9-L13 HydrophobicContact CE1-CD2 3.79Å; F9-L13 HydrophobicContact CE1-CG 3.64Å; F9-L13 HydrophobicContact CZ-CD1 4.43Å; F9-L13 HydrophobicContact CZ-CD2 3.92Å; F9-L13 HydrophobicContact CZ-CG 4.17Å; F9-L13 WeakPolarHBondContact O-CG 2.94Å; F9-L13 PolarHBondContact O-N 2.62Å; S10-L13 WeakPolarHBondContact O-CB 3.39Å; S10-L13 PolarHBondContact O-N 2.89Å; V11-L13 PolarHBondContact O-N 3.28Å; L13-H15 PolarHBondContact O-N 2.79Å; L13-Y16 PolarHBondContact O-N 3.36Å; L13-V17 WeakPolarHBondContact O-CG2 3.39Å; L13-V17 PolarHBondContact O-N 2.71Å; L13-L26 HydrophobicContact CB-CD1 4.14Å; L13-L29 HydrophobicContact CD2-CB 4.48Å; L13-L29 HydrophobicContact CD2-CD2 3.16Å; L13-L29 HydrophobicContact CD2-CG 3.54Å; L13-I30 HydrophobicContact CD1-CG1 3.82Å |
| 14 | F | 70 | Confident | 65.9 | Low | 160 Ų | 160 | 98.2 Ų | 98.2 | 70% | 0.702 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.5 | -45 | 177.8 | -96.8 | -80.1 | 0 | 0 | 0 | 112 | S10 V11 V17 D18 | S10-F14 WeakPolarHBondContact O-CD2 3.43Å; S10-F14 PolarHBondContact O-N 3.11Å; V11-F14 PolarHBondContact O-N 2.92Å; F14-V17 PolarHBondContact O-N 3.26Å; F14-D18 WeakPolarHBondContact O-CB 3.18Å; F14-D18 PolarHBondContact O-N 2.83Å |
| 15 | H | 67.7 | Low | 65.9 | Low | 130 Ų | 130 | 95.7 Ų | 95.7 | 60% | 0.602 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.1 | -38.6 | 176.6 | -77.6 | -67.5 | 0 | 0 | 0 | 113.3 | V11 F12 L13 V17 A19 | V11-H15 PolarHBondContact O-CD2 2.97Å; V11-H15 PolarHBondContact O-N 3.49Å; F12-H15 PolarHBondContact O-N 3.37Å; L13-H15 PolarHBondContact O-N 2.79Å; H15-V17 VanDerWaalsContact C-N 3.35Å; H15-A19 WeakPolarHBondContact O-CB 3.47Å; H15-A19 PolarHBondContact O-N 3.04Å; H15-A19 VanDerWaalsContact O-N 3.11Å |
| 16 | Y | 66.7 | Low | 65.4 | Low | 123 Ų | 123 | 91.3 Ų | 91.3 | 48% | 0.482 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.1 | -39.4 | 178.3 | -171.6 | -97 | 0 | 0 | 0 | 111.9 | F12 L13 A19 T20 | F12-Y16 WeakPolarHBondContact O-CB 3.41Å; F12-Y16 PolarHBondContact O-N 3.46Å; L13-Y16 PolarHBondContact O-N 3.36Å; Y16-A19 PolarHBondContact O-N 3.42Å; Y16-T20 HydrophobicContact CD1-CG2 4.31Å; Y16-T20 HydrophobicContact CE1-CG2 3.92Å; Y16-T20 HydrophobicContact CE2-CG2 4.18Å; Y16-T20 WeakPolarHBondContact O-CB 3.14Å; Y16-T20 WeakPolarHBondContact O-CG2 3.43Å; Y16-T20 PolarHBondContact O-N 2.76Å; Y16-T20 PolarHBondContact O-OG1 3.25Å |
| 17 | V | 61.6 | Low | 65.1 | Low | 23 Ų | 23 | 93.8 Ų | 93.8 | 14% | 0.139 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -69.1 | -43.4 | 178.9 | 173.5 | 0 | 0 | 0 | 0 | 111.8 | L13 F14 H15 A19 T20 G21 L26 | L13-V17 WeakPolarHBondContact O-CG2 3.39Å; L13-V17 PolarHBondContact O-N 2.71Å; F14-V17 PolarHBondContact O-N 3.26Å; H15-V17 VanDerWaalsContact C-N 3.35Å; V17-A19 VanDerWaalsContact C-N 3.27Å; V17-A19 PolarHBondContact O-N 2.84Å; V17-T20 PolarHBondContact O-N 3.04Å; V17-G21 PolarHBondContact O-N 3.34Å; V17-L26 HydrophobicContact CG1-CD2 4.37Å; V17-L26 HydrophobicContact CG2-CB 3.74Å; V17-L26 HydrophobicContact CG2-CD1 3.41Å; V17-L26 VanDerWaalsContact CG2-CD1 3.41Å; V17-L26 HydrophobicContact CG2-CD2 3.9Å; V17-L26 HydrophobicContact CG2-CG 3.82Å |
| 18 | D | 65.6 | Low | 65.1 | Low | 145 Ų | 145 | 95.5 Ų | 95.5 | 78% | 0.775 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59.5 | -41.4 | 175.9 | -168.5 | 71.8 | 0 | 0 | 0 | 110.9 | F14 | F14-D18 WeakPolarHBondContact O-CB 3.18Å; F14-D18 PolarHBondContact O-N 2.83Å |
| 19 | A | 64.6 | Low | 64.8 | Low | 85 Ų | 85 | 92.6 Ų | 92.6 | 70% | 0.702 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -72.7 | -29.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | H15 Y16 V17 | H15-A19 WeakPolarHBondContact O-CB 3.47Å; H15-A19 PolarHBondContact O-N 3.04Å; H15-A19 VanDerWaalsContact O-N 3.11Å; Y16-A19 PolarHBondContact O-N 3.42Å; V17-A19 VanDerWaalsContact C-N 3.27Å; V17-A19 PolarHBondContact O-N 2.84Å |
| 20 | T | 63.7 | Low | 64.6 | Low | 56 Ų | 56 | 93.2 Ų | 93.2 | 34% | 0.344 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -101.4 | -14.5 | -172.1 | 53.4 | 0 | 0 | 0 | 0 | 114.6 | Y16 V17 K22 | Y16-T20 HydrophobicContact CD1-CG2 4.31Å; Y16-T20 HydrophobicContact CE1-CG2 3.92Å; Y16-T20 HydrophobicContact CE2-CG2 4.18Å; Y16-T20 WeakPolarHBondContact O-CB 3.14Å; Y16-T20 WeakPolarHBondContact O-CG2 3.43Å; Y16-T20 PolarHBondContact O-N 2.76Å; Y16-T20 PolarHBondContact O-OG1 3.25Å; V17-T20 PolarHBondContact O-N 3.04Å; T20-K22 PolarHBondContact O-N 3.38Å |
| 21 | G | 62.8 | Low | 64.3 | Low | 67 Ų | 67 | 94.2 Ų | 94.2 | 69% | 0.691 | 50% | 0.499 | S | S | * | . | trans | 64.4 | 8.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | V17 | V17-G21 PolarHBondContact O-N 3.34Š| ||
| 22 | K | 57.9 | Low | 64.2 | Low | 128 Ų | 128 | 96 Ų | 96 | 56% | 0.557 | 50% | 0.503 | S | S | * | . | trans | -107.2 | 79.4 | -178 | -66.8 | -175.6 | -173.9 | 177.2 | 0 | 110.1 | T20 F24 D25 | T20-K22 PolarHBondContact O-N 3.38Å; K22-F24 PolarHBondContact O-N 3.26Å; K22-F24 VanDerWaalsContact O-N 3.13Å; K22-D25 HydrophobicContact CB-CB 4.44Å; K22-D25 WeakPolarHBondContact CB-OD2 3.36Å; K22-D25 WeakPolarHBondContact CD-OD2 3.38Å; K22-D25 PolarHBondContact O-N 3.2Å | ||
| 23 | V | 57.3 | Low | 63.8 | Low | 104 Ų | 104 | 91.1 Ų | 91.1 | 63% | 0.63 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -57.6 | -25.9 | 174.9 | -177.2 | 0 | 0 | 0 | 0 | 111.8 | L26 | V23-L26 VanDerWaalsContact O-CB 3.29Å; V23-L26 WeakPolarHBondContact O-CB 3.47Å; V23-L26 PolarHBondContact O-N 2.92Å |
| 24 | F | 53.3 | Low | 63.6 | Low | 191 Ų | 191 | 96.4 Ų | 96.4 | 84% | 0.838 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -70.5 | -35.1 | -178.7 | -124.6 | -90.9 | 0 | 0 | 0 | 113.6 | K22 L26 | K22-F24 PolarHBondContact O-N 3.26Å; K22-F24 VanDerWaalsContact O-N 3.13Å; F24-L26 PolarHBondContact O-N 3.24Å |
| 25 | D | 60.4 | Low | 63.4 | Low | 85 Ų | 85 | 95 Ų | 95 | 46% | 0.455 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69.9 | -20.6 | 176.3 | -75.5 | -56.8 | 0 | 0 | 0 | 112 | K22 L29 | K22-D25 HydrophobicContact CB-CB 4.44Å; K22-D25 WeakPolarHBondContact CB-OD2 3.36Å; K22-D25 WeakPolarHBondContact CD-OD2 3.38Å; K22-D25 PolarHBondContact O-N 3.2Å; D25-L29 WeakPolarHBondContact O-CB 3.15Å; D25-L29 PolarHBondContact O-N 3.18Å |
| 26 | L | 58.9 | Low | 63.3 | Low | 34 Ų | 34 | 93 Ų | 93 | 18% | 0.178 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -64.4 | -42.9 | 179.8 | -177.9 | 57.4 | 0 | 0 | 0 | 112.3 | L13 V17 V23 F24 L29 I30 | L13-L26 HydrophobicContact CB-CD1 4.14Å; V17-L26 HydrophobicContact CG1-CD2 4.37Å; V17-L26 HydrophobicContact CG2-CB 3.74Å; V17-L26 HydrophobicContact CG2-CD1 3.41Å; V17-L26 VanDerWaalsContact CG2-CD1 3.41Å; V17-L26 HydrophobicContact CG2-CD2 3.9Å; V17-L26 HydrophobicContact CG2-CG 3.82Å; V23-L26 VanDerWaalsContact O-CB 3.29Å; V23-L26 WeakPolarHBondContact O-CB 3.47Å; V23-L26 PolarHBondContact O-N 2.92Å; F24-L26 PolarHBondContact O-N 3.24Å; L26-L29 PolarHBondContact O-N 2.9Å; L26-I30 HydrophobicContact CD1-CD1 3.72Å; L26-I30 HydrophobicContact CD1-CG1 3.96Å; L26-I30 HydrophobicContact CD2-CD1 4.26Å; L26-I30 HydrophobicContact CG-CD1 3.67Å; L26-I30 HydrophobicContact CG-CG1 4.3Å; L26-I30 WeakPolarHBondContact O-CB 3.03Å; L26-I30 WeakPolarHBondContact O-CG1 3.33Å; L26-I30 PolarHBondContact O-N 2.88Å |
| 27 | V | 60.6 | Low | 63.4 | Low | 98 Ų | 98 | 88.9 Ų | 88.9 | 59% | 0.594 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -65.9 | -44.6 | -178 | 179.1 | 0 | 0 | 0 | 0 | 109.9 | L29 I30 V31 | V27-L29 VanDerWaalsContact C-N 3.35Å; V27-L29 PolarHBondContact O-N 3.41Å; V27-I30 PolarHBondContact O-N 2.79Å; V27-V31 HydrophobicContact CG1-CG2 4.39Å; V27-V31 WeakPolarHBondContact O-CB 3.39Å; V27-V31 VanDerWaalsContact O-CG2 3.22Å; V27-V31 WeakPolarHBondContact O-CG2 3.34Å; V27-V31 PolarHBondContact O-N 3.4Å |
| 28 | E | 67.3 | Low | 63.3 | Low | 139 Ų | 139 | 91.3 Ų | 91.3 | 65% | 0.65 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.2 | -43.4 | 177 | -168.8 | 123.6 | -138.2 | 0 | 0 | 111.2 | V31 Q32 | E28-V31 PolarHBondContact O-N 3.13Å; E28-Q32 WeakPolarHBondContact O-CB 3.12Å; E28-Q32 PolarHBondContact O-N 3.16Å |
| 29 | L | 67 | Low | 63.1 | Low | 64 Ų | 64 | 91.6 Ų | 91.6 | 34% | 0.335 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.1 | -41.9 | 177.8 | -169.9 | 61.3 | 0 | 0 | 0 | 112.6 | L13 D25 L26 V27 Q32 F33 | L13-L29 HydrophobicContact CD2-CB 4.48Å; L13-L29 HydrophobicContact CD2-CD2 3.16Å; L13-L29 HydrophobicContact CD2-CG 3.54Å; D25-L29 WeakPolarHBondContact O-CB 3.15Å; D25-L29 PolarHBondContact O-N 3.18Å; L26-L29 PolarHBondContact O-N 2.9Å; V27-L29 VanDerWaalsContact C-N 3.35Å; V27-L29 PolarHBondContact O-N 3.41Å; L29-Q32 PolarHBondContact O-N 3.48Å; L29-F33 VanDerWaalsContact O-CB 3.3Å; L29-F33 WeakPolarHBondContact O-CB 3.21Å; L29-F33 PolarHBondContact O-N 3.43Å |
| 30 | I | 68.8 | Low | 63.1 | Low | 61 Ų | 61 | 89.5 Ų | 89.5 | 31% | 0.313 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.9 | -46.1 | 174.5 | -72.6 | 169.7 | 0 | 0 | 0 | 110.3 | L13 L26 V27 Q32 F33 W34 | L13-I30 HydrophobicContact CD1-CG1 3.82Å; L26-I30 HydrophobicContact CD1-CD1 3.72Å; L26-I30 HydrophobicContact CD1-CG1 3.96Å; L26-I30 HydrophobicContact CD2-CD1 4.26Å; L26-I30 HydrophobicContact CG-CD1 3.67Å; L26-I30 HydrophobicContact CG-CG1 4.3Å; L26-I30 WeakPolarHBondContact O-CB 3.03Å; L26-I30 WeakPolarHBondContact O-CG1 3.33Å; L26-I30 PolarHBondContact O-N 2.88Å; V27-I30 PolarHBondContact O-N 2.79Å; I30-Q32 VanDerWaalsContact C-N 3.34Å; I30-Q32 PolarHBondContact O-N 2.67Å; I30-F33 PolarHBondContact O-N 2.98Å; I30-W34 VanDerWaalsContact O-CD1 3.24Å; I30-W34 PolarHBondContact O-N 3.34Å |
| 31 | V | 66.1 | Low | 63.2 | Low | 66 Ų | 66 | 88.7 Ų | 88.7 | 40% | 0.4 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 179.3 | 168.7 | 0 | 0 | 0 | 0 | 110.9 | V27 E28 W34 K35 | V27-V31 HydrophobicContact CG1-CG2 4.39Å; V27-V31 WeakPolarHBondContact O-CB 3.39Å; V27-V31 VanDerWaalsContact O-CG2 3.22Å; V27-V31 WeakPolarHBondContact O-CG2 3.34Å; V27-V31 PolarHBondContact O-N 3.4Å; E28-V31 PolarHBondContact O-N 3.13Å; V31-W34 PolarHBondContact O-N 3.39Å; V31-K35 HydrophobicContact CG1-CD 4.31Å; V31-K35 WeakPolarHBondContact O-CB 3.41Å; V31-K35 WeakPolarHBondContact O-CG 3.43Å; V31-K35 PolarHBondContact O-N 2.98Å |
| 32 | Q | 65.6 | Low | 63.1 | Low | 111 Ų | 111 | 87.8 Ų | 87.8 | 52% | 0.519 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.9 | -43.4 | 178.2 | -168.1 | 171.2 | -37.5 | 0 | 0 | 111.3 | E28 L29 I30 W34 K35 D36 | E28-Q32 WeakPolarHBondContact O-CB 3.12Å; E28-Q32 PolarHBondContact O-N 3.16Å; L29-Q32 PolarHBondContact O-N 3.48Å; I30-Q32 VanDerWaalsContact C-N 3.34Å; I30-Q32 PolarHBondContact O-N 2.67Å; Q32-W34 PolarHBondContact O-N 3.43Å; Q32-K35 WeakPolarHBondContact O-CB 3.36Å; Q32-K35 PolarHBondContact O-N 2.88Å; Q32-D36 PolarHBondContact O-N 2.9Å |
| 33 | F | 66.5 | Low | 63.3 | Low | 31 Ų | 31 | 84.1 Ų | 84.1 | 14% | 0.136 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -59.1 | -47.4 | 173.7 | 175.5 | -100.7 | 0 | 0 | 0 | 112.2 | F5 L6 F9 L29 I30 K35 D36 F37 | F5-F33 HydrophobicContact CE1-CE2 4.24Å; L6-F33 HydrophobicContact CD1-CE1 3.8Å; L6-F33 HydrophobicContact CD1-CZ 4.06Å; L6-F33 HydrophobicContact CG-CE1 4.15Å; L6-F33 HydrophobicContact CG-CZ 4.41Å; F9-F33 HydrophobicContact CB-CE2 4.22Å; F9-F33 HydrophobicContact CB-CZ 4.13Å; F9-F33 HydrophobicContact CD1-CB 4.47Å; F9-F33 AromaticContact CD1-CD1 3.83Å; F9-F33 HydrophobicContact CD1-CD1 3.83Å; F9-F33 AromaticContact CD1-CD2 3.42Å; F9-F33 HydrophobicContact CD1-CD2 3.42Å; F9-F33 VanDerWaalsContact CD1-CD2 3.42Å; F9-F33 AromaticContact CD1-CE1 3.79Å; F9-F33 HydrophobicContact CD1-CE1 3.79Å; F9-F33 AromaticContact CD1-CE2 3.36Å; F9-F33 HydrophobicContact CD1-CE2 3.36Å; F9-F33 AromaticContact CD1-CG 3.63Å; F9-F33 HydrophobicContact CD1-CG 3.63Å; F9-F33 AromaticContact CD1-CZ 3.55Å; F9-F33 HydrophobicContact CD1-CZ 3.55Å; F9-F33 HydrophobicContact CD2-CD2 4.22Å; F9-F33 AromaticContact CD2-CE2 3.95Å; F9-F33 HydrophobicContact CD2-CE2 3.95Å; F9-F33 HydrophobicContact CE1-CB 3.59Å; F9-F33 AromaticContact CE1-CD1 3.8Å; F9-F33 HydrophobicContact CE1-CD1 3.8Å; F9-F33 AromaticContact CE1-CD2 3.07Å; F9-F33 HydrophobicContact CE1-CD2 3.07Å; F9-F33 HydrophobicContact CE1-CE1 4.23Å; F9-F33 AromaticContact CE1-CE2 3.57Å; F9-F33 HydrophobicContact CE1-CE2 3.57Å; F9-F33 AromaticContact CE1-CG 3.18Å; F9-F33 HydrophobicContact CE1-CG 3.18Å; F9-F33 HydrophobicContact CE1-CZ 4.12Å; F9-F33 AromaticContact CE2-CD2 3.96Å; F9-F33 HydrophobicContact CE2-CD2 3.96Å; F9-F33 HydrophobicContact CE2-CE2 4.14Å; F9-F33 AromaticContact CG-CD2 3.98Å; F9-F33 HydrophobicContact CG-CD2 3.98Å; F9-F33 AromaticContact CG-CE2 3.55Å; F9-F33 HydrophobicContact CG-CE2 3.55Å; F9-F33 AromaticContact CG-CZ 3.86Å; F9-F33 HydrophobicContact CG-CZ 3.86Å; F9-F33 HydrophobicContact CZ-CB 4.09Å; F9-F33 AromaticContact CZ-CD2 3.38Å; F9-F33 HydrophobicContact CZ-CD2 3.38Å; F9-F33 AromaticContact CZ-CE2 3.96Å; F9-F33 HydrophobicContact CZ-CE2 3.96Å; F9-F33 AromaticContact CZ-CG 3.87Å; F9-F33 HydrophobicContact CZ-CG 3.87Å; L29-F33 VanDerWaalsContact O-CB 3.3Å; L29-F33 WeakPolarHBondContact O-CB 3.21Å; L29-F33 PolarHBondContact O-N 3.43Å; I30-F33 PolarHBondContact O-N 2.98Å; F33-K35 VanDerWaalsContact C-N 3.3Å; F33-K35 PolarHBondContact O-N 3.34Å; F33-D36 PolarHBondContact O-N 3.37Å; F33-F37 WeakPolarHBondContact O-CB 3.5Å; F33-F37 PolarHBondContact O-N 3.48Å |
| 34 | W | 63.1 | Low | 63.5 | Low | 124 Ų | 124 | 82.8 Ų | 82.8 | 47% | 0.47 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63 | -36.2 | 176.2 | -85.8 | 106.1 | 0 | 0 | 0 | 112.2 | I30 V31 Q32 F37 C38 | I30-W34 VanDerWaalsContact O-CD1 3.24Å; I30-W34 PolarHBondContact O-N 3.34Å; V31-W34 PolarHBondContact O-N 3.39Å; Q32-W34 PolarHBondContact O-N 3.43Å; W34-F37 AromaticContact CE3-CD1 3.98Å; W34-F37 HydrophobicContact CE3-CD1 3.98Å; W34-F37 AromaticContact CZ3-CD1 3.91Å; W34-F37 HydrophobicContact CZ3-CD1 3.91Å; W34-F37 HydrophobicContact CZ3-CE1 4.04Å; W34-C38 WeakPolarHBondContact O-CB 3.26Å; W34-C38 PolarHBondContact O-N 2.91Å; W34-C38 PolarHBondContact O-SG 3.49Å |
| 35 | K | 65.4 | Low | 63.6 | Low | 129 Ų | 129 | 78.2 Ų | 78.2 | 56% | 0.561 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -62.5 | -46.2 | 173.4 | -78.9 | 175.2 | -178.2 | 173 | 0 | 111.5 | V31 Q32 F33 K39 | V31-K35 HydrophobicContact CG1-CD 4.31Å; V31-K35 WeakPolarHBondContact O-CB 3.41Å; V31-K35 WeakPolarHBondContact O-CG 3.43Å; V31-K35 PolarHBondContact O-N 2.98Å; Q32-K35 WeakPolarHBondContact O-CB 3.36Å; Q32-K35 PolarHBondContact O-N 2.88Å; F33-K35 VanDerWaalsContact C-N 3.3Å; F33-K35 PolarHBondContact O-N 3.34Å; K35-K39 WeakPolarHBondContact O-CB 3.32Å; K35-K39 VanDerWaalsContact O-CG 3.26Å; K35-K39 WeakPolarHBondContact O-CG 3.18Å; K35-K39 PolarHBondContact O-N 2.86Å |
| 36 | D | 67 | Low | 63.4 | Low | 88 Ų | 88 | 75.5 Ų | 75.5 | 47% | 0.471 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -70.3 | -39.1 | -179.4 | -69.8 | -24.2 | 0 | 0 | 0 | 111.6 | Q32 F33 K39 G40 | Q32-D36 PolarHBondContact O-N 2.9Å; F33-D36 PolarHBondContact O-N 3.37Å; D36-K39 PolarHBondContact O-N 3.47Å; D36-G40 PolarHBondContact O-N 2.88Å |
| 37 | F | 67.1 | Low | 63.1 | Low | 38 Ų | 38 | 76.3 Ų | 76.3 | 17% | 0.167 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -62.9 | -48.6 | 173 | -174.3 | -106.5 | 0 | 0 | 0 | 111.7 | L2 L6 F33 W34 K39 G40 L41 | L2-F37 HydrophobicContact CD1-CD2 4.35Å; L2-F37 HydrophobicContact CD1-CE2 3.43Å; L2-F37 VanDerWaalsContact CD1-CE2 3.43Å; L2-F37 HydrophobicContact CD1-CZ 4.03Å; L2-F37 HydrophobicContact CD2-CE2 3.89Å; L2-F37 HydrophobicContact CD2-CZ 3.55Å; L2-F37 HydrophobicContact CG-CE2 3.5Å; L2-F37 HydrophobicContact CG-CZ 3.63Å; L6-F37 HydrophobicContact CD1-CD1 4.17Å; L6-F37 HydrophobicContact CD1-CD2 3.98Å; L6-F37 HydrophobicContact CD1-CE1 3.73Å; L6-F37 HydrophobicContact CD1-CE2 3.5Å; L6-F37 HydrophobicContact CD1-CG 4.27Å; L6-F37 HydrophobicContact CD1-CZ 3.36Å; F33-F37 WeakPolarHBondContact O-CB 3.5Å; F33-F37 PolarHBondContact O-N 3.48Å; W34-F37 AromaticContact CE3-CD1 3.98Å; W34-F37 HydrophobicContact CE3-CD1 3.98Å; W34-F37 AromaticContact CZ3-CD1 3.91Å; W34-F37 HydrophobicContact CZ3-CD1 3.91Å; W34-F37 HydrophobicContact CZ3-CE1 4.04Å; F37-K39 VanDerWaalsContact C-N 3.33Å; F37-K39 PolarHBondContact O-N 3.35Å; F37-G40 PolarHBondContact O-N 3.4Å; F37-L41 HydrophobicContact CD1-CD1 3.39Å; F37-L41 HydrophobicContact CD2-CD1 3.94Å; F37-L41 HydrophobicContact CE1-CD1 3.01Å; F37-L41 HydrophobicContact CE2-CD1 3.62Å; F37-L41 HydrophobicContact CG-CD1 3.85Å; F37-L41 HydrophobicContact CZ-CD1 3.14Å; F37-L41 WeakPolarHBondContact O-CB 3.25Å; F37-L41 PolarHBondContact O-N 2.84Å |
| 38 | C | 60.3 | Low | 62.8 | Low | 74 Ų | 74 | 77.6 Ų | 77.6 | 50% | 0.5 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -67.8 | -29.7 | 176.5 | -75.1 | 0 | 0 | 0 | 0 | 112.6 | W34 G42 | W34-C38 WeakPolarHBondContact O-CB 3.26Å; W34-C38 PolarHBondContact O-N 2.91Å; W34-C38 PolarHBondContact O-SG 3.49Å; C38-G42 WeakPolarHBondContact O-CA 3.22Å; C38-G42 PolarHBondContact O-N 3.04Å |
| 39 | K | 61.2 | Low | 62.1 | Low | 151 Ų | 151 | 74.4 Ų | 74.4 | 66% | 0.657 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -68 | -46.3 | 170 | -81.5 | 175.7 | 178.9 | 177.4 | 0 | 111 | K35 D36 F37 G42 G43 | K35-K39 WeakPolarHBondContact O-CB 3.32Å; K35-K39 VanDerWaalsContact O-CG 3.26Å; K35-K39 WeakPolarHBondContact O-CG 3.18Å; K35-K39 PolarHBondContact O-N 2.86Å; D36-K39 PolarHBondContact O-N 3.47Å; F37-K39 VanDerWaalsContact C-N 3.33Å; F37-K39 PolarHBondContact O-N 3.35Å; K39-G42 PolarHBondContact O-N 3.25Å; K39-G43 PolarHBondContact O-N 3.17Å |
| 40 | G | 65.7 | Low | 61.4 | Low | 40 Ų | 40 | 73.3 Ų | 73.3 | 41% | 0.412 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -60.8 | -47.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | D36 F37 T44 | D36-G40 PolarHBondContact O-N 2.88Å; F37-G40 PolarHBondContact O-N 3.4Å; G40-T44 WeakPolarHBondContact O-CB 3.4Å; G40-T44 PolarHBondContact O-N 3.36Å; G40-T44 PolarHBondContact O-OG1 3.34Å |
| 41 | L | 64.8 | Low | 60.6 | Low | 40 Ų | 40 | 75.9 Ų | 75.9 | 21% | 0.209 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -69.6 | -36.4 | 174.4 | -93.5 | 132.8 | 0 | 0 | 0 | 113.3 | L2 F37 G43 T44 M45 | L2-L41 HydrophobicContact CD2-CD1 3.8Å; L2-L41 HydrophobicContact CD2-CD2 4.08Å; L2-L41 HydrophobicContact CD2-CG 4.26Å; F37-L41 HydrophobicContact CD1-CD1 3.39Å; F37-L41 HydrophobicContact CD2-CD1 3.94Å; F37-L41 HydrophobicContact CE1-CD1 3.01Å; F37-L41 HydrophobicContact CE2-CD1 3.62Å; F37-L41 HydrophobicContact CG-CD1 3.85Å; F37-L41 HydrophobicContact CZ-CD1 3.14Å; F37-L41 WeakPolarHBondContact O-CB 3.25Å; F37-L41 PolarHBondContact O-N 2.84Å; L41-G43 VanDerWaalsContact C-N 3.31Å; L41-G43 PolarHBondContact O-N 3.39Å; L41-T44 PolarHBondContact O-N 3.2Å; L41-M45 HydrophobicContact CD2-CE 3.81Å; L41-M45 HydrophobicContact CD2-CG 3.89Å; L41-M45 WeakPolarHBondContact O-CA 3.36Å; L41-M45 WeakPolarHBondContact O-CB 3.3Å; L41-M45 WeakPolarHBondContact O-CG 3.33Å; L41-M45 PolarHBondContact O-N 2.98Å |
| 42 | G | 61.9 | Low | 59.7 | Low | 48 Ų | 48 | 75.7 Ų | 75.7 | 50% | 0.495 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | C38 K39 G46 | C38-G42 WeakPolarHBondContact O-CA 3.22Å; C38-G42 PolarHBondContact O-N 3.04Å; K39-G42 PolarHBondContact O-N 3.25Å; G42-G46 PolarHBondContact O-N 3.49Å |
| 43 | G | 61.9 | Low | 59 | Low | 51 Ų | 51 | 74 Ų | 74 | 53% | 0.526 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.1 | -46.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | K39 L41 C47 | K39-G43 PolarHBondContact O-N 3.17Å; L41-G43 VanDerWaalsContact C-N 3.31Å; L41-G43 PolarHBondContact O-N 3.39Å; G43-C47 PolarHBondContact O-N 2.96Å; G43-C47 VanDerWaalsContact O-N 3.11Å |
| 44 | T | 60.2 | Low | 58.5 | Low | 75 Ų | 75 | 77.7 Ų | 77.7 | 46% | 0.46 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -71.8 | -39.8 | -177.5 | -44.6 | 0 | 0 | 0 | 0 | 112.3 | G40 L41 C47 F48 | G40-T44 WeakPolarHBondContact O-CB 3.4Å; G40-T44 PolarHBondContact O-N 3.36Å; G40-T44 PolarHBondContact O-OG1 3.34Å; L41-T44 PolarHBondContact O-N 3.2Å; T44-C47 CarbonylContact O-C 3.42Å; T44-C47 WeakPolarHBondContact O-CB 3.22Å; T44-C47 PolarHBondContact O-N 3Å; T44-F48 HydrophobicContact CG2-CD2 3.88Å; T44-F48 HydrophobicContact CG2-CE2 3.95Å; T44-F48 WeakPolarHBondContact O-CD2 3.35Å; T44-F48 PolarHBondContact O-N 3Å |
| 45 | M | 56.7 | Low | 58.1 | Low | 95 Ų | 95 | 80.7 Ų | 80.7 | 47% | 0.468 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -71.6 | -34.7 | 175.4 | -73.3 | -71 | -162.2 | 0 | 0 | 111.4 | L41 C47 F48 L49 | L41-M45 HydrophobicContact CD2-CE 3.81Å; L41-M45 HydrophobicContact CD2-CG 3.89Å; L41-M45 WeakPolarHBondContact O-CA 3.36Å; L41-M45 WeakPolarHBondContact O-CB 3.3Å; L41-M45 WeakPolarHBondContact O-CG 3.33Å; L41-M45 PolarHBondContact O-N 2.98Å; M45-C47 VanDerWaalsContact C-N 3.31Å; M45-F48 PolarHBondContact O-N 3.34Å; M45-L49 WeakPolarHBondContact O-CB 3.5Å; M45-L49 WeakPolarHBondContact O-CD1 3.29Å; M45-L49 WeakPolarHBondContact O-CG 3.34Å; M45-L49 PolarHBondContact O-N 3.45Å |
| 46 | G | 55.3 | Low | 57.6 | Low | 28 Ų | 28 | 80 Ų | 80 | 29% | 0.289 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -53.4 | -53.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110 | G42 F48 L49 D50 | G42-G46 PolarHBondContact O-N 3.49Å; G46-F48 PolarHBondContact O-N 3.38Å; G46-L49 PolarHBondContact O-N 3.05Å; G46-D50 WeakPolarHBondContact O-CB 3.21Å; G46-D50 PolarHBondContact O-N 2.97Å; G46-D50 VanDerWaalsContact O-OD2 3.05Å |
| 47 | C | 52.1 | Low | 56.7 | Low | 51 Ų | 51 | 78.4 Ų | 78.4 | 35% | 0.345 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 176.8 | -171.8 | 0 | 0 | 0 | 0 | 113.6 | G43 T44 M45 D50 V51 | G43-C47 PolarHBondContact O-N 2.96Å; G43-C47 VanDerWaalsContact O-N 3.11Å; T44-C47 CarbonylContact O-C 3.42Å; T44-C47 WeakPolarHBondContact O-CB 3.22Å; T44-C47 PolarHBondContact O-N 3Å; M45-C47 VanDerWaalsContact C-N 3.31Å; C47-D50 PolarHBondContact O-N 3.36Å; C47-V51 WeakPolarHBondContact O-CG2 3.48Å; C47-V51 PolarHBondContact O-N 3.27Å |
| 48 | F | 54 | Low | 55.9 | Low | 126 Ų | 126 | 77 Ų | 77 | 55% | 0.553 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -67.1 | -38.7 | 177.1 | -97.5 | -78.2 | 0 | 0 | 0 | 112.8 | T44 M45 G46 V51 M52 | T44-F48 HydrophobicContact CG2-CD2 3.88Å; T44-F48 HydrophobicContact CG2-CE2 3.95Å; T44-F48 WeakPolarHBondContact O-CD2 3.35Å; T44-F48 PolarHBondContact O-N 3Å; M45-F48 PolarHBondContact O-N 3.34Å; G46-F48 PolarHBondContact O-N 3.38Å; F48-V51 PolarHBondContact O-N 3.27Å; F48-M52 HydrophobicContact CB-CE 4.46Å; F48-M52 WeakPolarHBondContact O-CB 3.49Å; F48-M52 PolarHBondContact O-N 3.13Å |
| 49 | L | 52.9 | Low | 55.6 | Low | 71 Ų | 71 | 80.8 Ų | 80.8 | 37% | 0.372 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67.9 | -28.8 | 173.1 | -72.2 | 168.1 | 0 | 0 | 0 | 110.8 | M45 G46 M52 G58 K59 | M45-L49 WeakPolarHBondContact O-CB 3.5Å; M45-L49 WeakPolarHBondContact O-CD1 3.29Å; M45-L49 WeakPolarHBondContact O-CG 3.34Å; M45-L49 PolarHBondContact O-N 3.45Å; G46-L49 PolarHBondContact O-N 3.05Å; L49-M52 HydrophobicContact CD2-CE 3.89Å; L49-M52 HydrophobicContact CG-CE 4.45Å; L49-G58 CarbonylContact O-C 3.59Å; L49-G58 WeakPolarHBondContact O-CA 3.39Å; L49-K59 PolarHBondContact O-N 3.46Å |
| 50 | D | 52 | Low | 55.2 | Low | 41 Ų | 41 | 80.1 Ų | 80.1 | 22% | 0.219 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -77 | -27.6 | 175.5 | -65.7 | -33.8 | 0 | 0 | 0 | 113 | G46 C47 K59 K61 | G46-D50 WeakPolarHBondContact O-CB 3.21Å; G46-D50 PolarHBondContact O-N 2.97Å; G46-D50 VanDerWaalsContact O-OD2 3.05Å; C47-D50 PolarHBondContact O-N 3.36Å; D50-K59 WeakPolarHBondContact CA-O 3.43Å; D50-K59 WeakPolarHBondContact OD1-CB 3.41Å; D50-K61 WeakPolarHBondContact CB-O 3.2Å; D50-K61 VanDerWaalsContact OD2-O 3.13Å |
| 51 | V | 53.3 | Low | 54.4 | Low | 116 Ų | 116 | 86 Ų | 86 | 70% | 0.703 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -85 | -22.5 | 173.3 | 175.4 | 0 | 0 | 0 | 0 | 112.6 | C47 F48 | C47-V51 WeakPolarHBondContact O-CG2 3.48Å; C47-V51 PolarHBondContact O-N 3.27Å; F48-V51 PolarHBondContact O-N 3.27Å |
| 52 | M | 47.3 | Very low | 53.7 | Low | 62 Ų | 62 | 89.8 Ų | 89.8 | 31% | 0.305 | 52% | 0.516 | S | S | . | . | S | Bend | trans | -68.5 | 139.4 | 179.1 | -99.7 | -172.7 | -95 | 0 | 0 | 111.8 | F48 L49 I54 I56 | F48-M52 HydrophobicContact CB-CE 4.46Å; F48-M52 WeakPolarHBondContact O-CB 3.49Å; F48-M52 PolarHBondContact O-N 3.13Å; L49-M52 HydrophobicContact CD2-CE 3.89Å; L49-M52 HydrophobicContact CG-CE 4.45Å; M52-I54 PolarHBondContact O-N 3.41Å; M52-I56 HydrophobicContact CB-CD1 4.25Å; M52-I56 HydrophobicContact CB-CG1 4.24Å; M52-I56 HydrophobicContact CG-CD1 3.68Å; M52-I56 HydrophobicContact CG-CG1 4.19Å; M52-I56 HydrophobicContact SD-CD1 3.33Å; M52-I56 WeakPolarHBondContact SD-CD1 3.47Å; M52-I56 HydrophobicContact SD-CG1 3.85Å |
| 53 | P | 49.9 | Very low | 53.1 | Low | 75 Ų | 75 | 91.6 Ų | 91.6 | 49% | 0.487 | 52% | 0.52 | S | S | . | . | trans | -59.4 | 140.7 | 174.4 | 24.5 | -31.5 | 0 | 0 | 0 | 110.2 | E55 I56 | P53-E55 PolarHBondContact O-N 3.31Å; P53-I56 HydrophobicContact CG-CD1 4.31Å; P53-I56 HydrophobicContact CG-CG1 4.23Å; P53-I56 WeakPolarHBondContact O-CG1 3.2Å; P53-I56 PolarHBondContact O-N 2.7Å; P53-I56 VanDerWaalsContact O-N 3.08Å | ||
| 54 | I | 57.3 | Low | 52 | Low | 108 Ų | 108 | 100.2 Ų | 100.2 | 55% | 0.554 | 55% | 0.553 | S | S | * | * | G | 310 helix | trans | -54.3 | -24.8 | -177.3 | -62 | 171.4 | 0 | 0 | 0 | 111.9 | M52 I56 G57 | M52-I54 PolarHBondContact O-N 3.41Å; I54-I56 PolarHBondContact O-N 3.05Å; I54-G57 PolarHBondContact O-N 3.41Å |
| 55 | E | 53.3 | Low | 51.6 | Low | 187 Ų | 187 | 101.5 Ų | 101.5 | 87% | 0.874 | 56% | 0.558 | S | S | * | * | G | 310 helix | trans | -56.5 | -28.5 | 177.8 | -59.8 | -176.6 | 162.6 | 0 | 0 | 114.3 | P53 | P53-E55 PolarHBondContact O-N 3.31Š|
| 56 | I | 54.6 | Low | 51.3 | Low | 115 Ų | 115 | 101.8 Ų | 101.8 | 59% | 0.59 | 56% | 0.562 | S | S | * | * | G | 310 helix | trans | -109.2 | 17 | 176.8 | 58.1 | 178 | 0 | 0 | 0 | 113.2 | M52 P53 I54 | M52-I56 HydrophobicContact CB-CD1 4.25Å; M52-I56 HydrophobicContact CB-CG1 4.24Å; M52-I56 HydrophobicContact CG-CD1 3.68Å; M52-I56 HydrophobicContact CG-CG1 4.19Å; M52-I56 HydrophobicContact SD-CD1 3.33Å; M52-I56 WeakPolarHBondContact SD-CD1 3.47Å; M52-I56 HydrophobicContact SD-CG1 3.85Å; P53-I56 HydrophobicContact CG-CD1 4.31Å; P53-I56 HydrophobicContact CG-CG1 4.23Å; P53-I56 WeakPolarHBondContact O-CG1 3.2Å; P53-I56 PolarHBondContact O-N 2.7Å; P53-I56 VanDerWaalsContact O-N 3.08Å; I54-I56 PolarHBondContact O-N 3.05Å |
| 57 | G | 48.9 | Very low | 51.1 | Low | 54 Ų | 54 | 105.9 Ų | 105.9 | 56% | 0.557 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 93.5 | 21.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | I54 | I54-G57 PolarHBondContact O-N 3.41Š|
| 58 | G | 51.2 | Low | 51 | Low | 10 Ų | 10 | 109.2 Ų | 109.2 | 10% | 0.103 | 59% | 0.591 | C | S | . | * | trans | -68.1 | 156.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114 | L49 | L49-G58 CarbonylContact O-C 3.59Å; L49-G58 WeakPolarHBondContact O-CA 3.39Å | ||
| 59 | K | 53.3 | Low | 50.8 | Low | 152 Ų | 152 | 108.1 Ų | 108.1 | 66% | 0.661 | 59% | 0.594 | S | S | * | * | trans | -112.2 | 129.5 | 179.6 | -77.8 | -178 | 172.7 | 177.2 | 0 | 110.4 | L49 D50 K61 | L49-K59 PolarHBondContact O-N 3.46Å; D50-K59 WeakPolarHBondContact CA-O 3.43Å; D50-K59 WeakPolarHBondContact OD1-CB 3.41Å; K59-K61 VanDerWaalsContact C-N 3.3Å; K59-K61 PolarHBondContact O-N 3.11Å | ||
| 60 | N | 53.3 | Low | 50.7 | Low | 137 Ų | 137 | 110.6 Ų | 110.6 | 73% | 0.733 | 61% | 0.609 | S | S | * | * | trans | -79.7 | 72.7 | 174.2 | -93 | -4.9 | 0 | 0 | 0 | 111.1 | ||||
| 61 | K | 48.4 | Very low | 50.6 | Low | 165 Ų | 165 | 115.6 Ų | 115.6 | 72% | 0.717 | 64% | 0.636 | S | S | * | * | trans | -122.3 | 113.9 | 162 | -70.9 | -158.6 | 175.4 | -168 | 0 | 109.8 | D50 K59 C63 | D50-K61 WeakPolarHBondContact CB-O 3.2Å; D50-K61 VanDerWaalsContact OD2-O 3.13Å; K59-K61 VanDerWaalsContact C-N 3.3Å; K59-K61 PolarHBondContact O-N 3.11Å; K61-C63 PolarHBondContact O-N 3.04Å; K61-C63 VanDerWaalsContact O-N 3.11Å | ||
| 62 | S | 49.4 | Very low | 50.4 | Low | 119 Ų | 119 | 115.5 Ų | 115.5 | 83% | 0.832 | 63% | 0.631 | S | S | * | * | trans | -55 | 113.9 | 176.7 | -66.3 | 0 | 0 | 0 | 0 | 110.8 | L64 | S62-L64 VanDerWaalsContact C-N 3.3Å; S62-L64 PolarHBondContact O-N 3.05Å | ||
| 63 | C | 49.4 | Very low | 50.7 | Low | 85 Ų | 85 | 120 Ų | 120 | 57% | 0.574 | 66% | 0.658 | S | S | * | * | trans | -68.2 | 94.4 | 156.7 | -71.3 | 0 | 0 | 0 | 0 | 107.9 | K61 | K61-C63 PolarHBondContact O-N 3.04Å; K61-C63 VanDerWaalsContact O-N 3.11Å | ||
| 64 | L | 38.9 | Very low | 50.7 | Low | 233 Ų | 233 | 124.1 Ų | 124.1 | 100% | 1.22 | 67% | 0.674 | S | S | * | * | trans | -96.6 | 0 | 160.9 | -135.3 | 162.4 | 0 | 0 | 0 | 107.7 | S62 | S62-L64 VanDerWaalsContact C-N 3.3Å; S62-L64 PolarHBondContact O-N 3.05Å |
Retrieved 64 of 64 residues in 26.2 ms
(Link to these results)