| 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 | 66 | Low | 66.7 | Low | 229 Ų | 229 | 113.2 Ų | 113.2 | 100% | 1.128 | 55% | 0.55 | S | S | * | . | 0 | 57.7 | 0 | -63.3 | -172.2 | 172.6 | 0 | 0 | 110 | |||||
| 2 | Y | 67.6 | Low | 66.7 | Low | 169 Ų | 169 | 114.7 Ų | 114.7 | 66% | 0.663 | 56% | 0.561 | S | S | * | * | trans | -122.5 | 19.8 | -171.3 | -62.9 | -79.4 | 0 | 0 | 0 | 112.6 | L4 Q5 | Y2-L4 VanDerWaalsContact C-N 3.26Å; Y2-L4 PolarHBondContact O-N 2.88Å; Y2-Q5 WeakPolarHBondContact O-CB 3.44Å; Y2-Q5 PolarHBondContact O-N 3.29Å; Y2-Q5 VanDerWaalsContact O-N 3.07Å | ||
| 3 | C | 69 | Low | 66.5 | Low | 31 Ų | 31 | 113.4 Ų | 113.4 | 21% | 0.209 | 56% | 0.557 | C | S | . | * | H | α-helix | trans | -52.7 | -46.1 | -178.3 | -66.8 | 0 | 0 | 0 | 0 | 112.2 | Q5 W6 C43 C46 | C3-Q5 PolarHBondContact O-N 2.68Å; C3-W6 PolarHBondContact O-N 2.81Å; C3-C43 VanDerWaalsContact SG-CB 3.52Å; C3-C46 HydrophobicContact CB-CB 3.37Å; C3-C46 WeakPolarHBondContact CB-SG 3.3Å; C3-C46 WeakPolarHBondContact SG-CB 2.8Å; C3-C46 CovalentContact SG-SG 2.05Å; C3-C46 PolarHBondContact SG-SG 3.12Å |
| 4 | L | 63.3 | Low | 65.7 | Low | 136 Ų | 136 | 112.9 Ų | 112.9 | 71% | 0.712 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -62.8 | -28.3 | -177.2 | -86.5 | 164.1 | 0 | 0 | 0 | 112.5 | Y2 W6 L7 L8 | Y2-L4 VanDerWaalsContact C-N 3.26Å; Y2-L4 PolarHBondContact O-N 2.88Å; L4-W6 VanDerWaalsContact C-N 3.32Å; L4-W6 PolarHBondContact O-N 3.43Å; L4-L7 PolarHBondContact O-N 3.35Å; L4-L7 VanDerWaalsContact O-N 3.12Å; L4-L8 PolarHBondContact O-N 3.34Å |
| 5 | Q | 71 | Confident | 65 | Low | 131 Ų | 131 | 115.9 Ų | 115.9 | 61% | 0.612 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -68.4 | -31.3 | -178.1 | -168.3 | 170.7 | -18.8 | 0 | 0 | 112.5 | Y2 C3 L7 P9 | Y2-Q5 WeakPolarHBondContact O-CB 3.44Å; Y2-Q5 PolarHBondContact O-N 3.29Å; Y2-Q5 VanDerWaalsContact O-N 3.07Å; C3-Q5 PolarHBondContact O-N 2.68Å; Q5-L7 VanDerWaalsContact C-N 3.32Å; Q5-P9 VanDerWaalsContact O-CD 3.31Å; Q5-P9 WeakPolarHBondContact O-CD 3.42Å |
| 6 | W | 67.7 | Low | 64.3 | Low | 189 Ų | 189 | 110.1 Ų | 110.1 | 72% | 0.716 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -78.9 | -20.1 | 174 | -69.3 | 93 | 0 | 0 | 0 | 113.1 | C3 L4 P9 | C3-W6 PolarHBondContact O-N 2.81Å; L4-W6 VanDerWaalsContact C-N 3.32Å; L4-W6 PolarHBondContact O-N 3.43Å; W6-P9 WeakPolarHBondContact O-CD 3.41Å |
| 7 | L | 64.2 | Low | 64.2 | Low | 22 Ų | 22 | 113.6 Ų | 113.6 | 12% | 0.115 | 57% | 0.568 | C | S | . | * | H | α-helix | trans | -93.8 | -25.3 | -175.7 | -156.4 | 145.6 | 0 | 0 | 0 | 111.8 | L4 Q5 V10 L11 L37 F50 | L4-L7 PolarHBondContact O-N 3.35Å; L4-L7 VanDerWaalsContact O-N 3.12Å; Q5-L7 VanDerWaalsContact C-N 3.32Å; L7-V10 PolarHBondContact O-N 3.01Å; L7-L11 PolarHBondContact O-N 3.15Å; L7-L37 HydrophobicContact CD1-CD2 4.47Å; L7-F50 HydrophobicContact CD1-CB 3.82Å; L7-F50 HydrophobicContact CD1-CD1 4.09Å; L7-F50 HydrophobicContact CD1-CD2 3.83Å; L7-F50 HydrophobicContact CD1-CE2 4.43Å; L7-F50 HydrophobicContact CD1-CG 3.61Å; L7-F50 HydrophobicContact CD2-CD2 3.16Å; L7-F50 HydrophobicContact CD2-CE2 3.28Å; L7-F50 HydrophobicContact CD2-CG 3.89Å; L7-F50 HydrophobicContact CD2-CZ 4.07Å; L7-F50 HydrophobicContact CG-CD2 4.04Å; L7-F50 HydrophobicContact CG-CE2 4.26Å; L7-F50 HydrophobicContact CG-CG 4.3Å |
| 8 | L | 70.3 | Confident | 63.8 | Low | 115 Ų | 115 | 113.5 Ų | 113.5 | 60% | 0.602 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -53.5 | -45.3 | 175.3 | -166 | 73.2 | 0 | 0 | 0 | 113 | L4 V10 L11 L12 | L4-L8 PolarHBondContact O-N 3.34Å; L8-V10 VanDerWaalsContact C-N 3.27Å; L8-V10 PolarHBondContact O-N 3.25Å; L8-L11 PolarHBondContact O-N 2.99Å; L8-L12 WeakPolarHBondContact O-CB 3.25Å; L8-L12 PolarHBondContact O-N 2.05Å |
| 9 | P | 65.5 | Low | 63.6 | Low | 77 Ų | 77 | 113.3 Ų | 113.3 | 50% | 0.5 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -61 | -36.1 | 175.2 | -22.9 | 34.4 | 0 | 0 | 0 | 112.6 | Q5 W6 L12 I13 | Q5-P9 VanDerWaalsContact O-CD 3.31Å; Q5-P9 WeakPolarHBondContact O-CD 3.42Å; W6-P9 WeakPolarHBondContact O-CD 3.41Å; P9-L12 CarbonylContact O-C 3.6Å; P9-L12 PolarHBondContact O-N 3.44Å; P9-I13 WeakPolarHBondContact O-CG1 3.49Å; P9-I13 PolarHBondContact O-N 2.91Å |
| 10 | V | 67.6 | Low | 63.8 | Low | 32 Ų | 32 | 112.8 Ų | 112.8 | 19% | 0.194 | 59% | 0.591 | C | S | . | * | H | α-helix | trans | -75.6 | -36.7 | -177.6 | -164.2 | 0 | 0 | 0 | 0 | 111.6 | L7 L8 L12 I13 L33 | L7-V10 PolarHBondContact O-N 3.01Å; L8-V10 VanDerWaalsContact C-N 3.27Å; L8-V10 PolarHBondContact O-N 3.25Å; V10-L12 PolarHBondContact O-N 3.29Å; V10-I13 HydrophobicContact CG1-CD1 4.48Å; V10-I13 PolarHBondContact O-N 2.9Å; V10-L33 HydrophobicContact CB-CD2 3.82Å; V10-L33 HydrophobicContact CG1-CD1 3.88Å; V10-L33 HydrophobicContact CG1-CD2 3.27Å; V10-L33 HydrophobicContact CG1-CG 3.64Å; V10-L33 HydrophobicContact CG2-CD2 4.26Å |
| 11 | L | 62.2 | Low | 63.9 | Low | 114 Ų | 114 | 112.5 Ų | 112.5 | 60% | 0.597 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -66.5 | -28.8 | 170.6 | -168.9 | 65.7 | 0 | 0 | 0 | 111.7 | L7 L8 F50 | L7-L11 PolarHBondContact O-N 3.15Å; L8-L11 PolarHBondContact O-N 2.99Å; L11-F50 HydrophobicContact CD1-CE2 4.46Å |
| 12 | L | 66.2 | Low | 63.8 | Low | 131 Ų | 131 | 104.1 Ų | 104.1 | 69% | 0.686 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -9.7 | 176.8 | -150.4 | 77.9 | 0 | 0 | 0 | 113.6 | L8 P9 V10 P14 | L8-L12 WeakPolarHBondContact O-CB 3.25Å; L8-L12 PolarHBondContact O-N 2.05Å; P9-L12 CarbonylContact O-C 3.6Å; P9-L12 PolarHBondContact O-N 3.44Å; V10-L12 PolarHBondContact O-N 3.29Å; L12-P14 WeakPolarHBondContact O-CD 3.35Å; L12-P14 WeakPolarHBondContact O-CG 3.4Å |
| 13 | I | 64.5 | Low | 63.8 | Low | 98 Ų | 98 | 102 Ų | 102 | 50% | 0.503 | 54% | 0.539 | S | S | . | . | S | Bend | trans | -67.7 | 102.2 | 173.9 | -71.5 | 165.1 | 0 | 0 | 0 | 107.4 | P9 V10 M29 | P9-I13 WeakPolarHBondContact O-CG1 3.49Å; P9-I13 PolarHBondContact O-N 2.91Å; V10-I13 HydrophobicContact CG1-CD1 4.48Å; V10-I13 PolarHBondContact O-N 2.9Å; I13-M29 HydrophobicContact CG2-CE 4.08Å |
| 14 | P | 54.5 | Low | 63.8 | Low | 106 Ų | 106 | 103.4 Ų | 103.4 | 69% | 0.688 | 55% | 0.55 | S | S | * | . | trans | -104.5 | 150 | -158.1 | 31.4 | -15.9 | 0 | 0 | 0 | 111.7 | L12 | L12-P14 WeakPolarHBondContact O-CD 3.35Å; L12-P14 WeakPolarHBondContact O-CG 3.4Å | ||
| 15 | K | 55.6 | Low | 64.1 | Low | 158 Ų | 158 | 100.5 Ų | 100.5 | 69% | 0.687 | 53% | 0.533 | S | S | * | . | trans | 43.7 | 105.1 | 158.8 | -132.3 | 173.2 | -177.9 | 150.7 | 0 | 116 | L17 W22 | K15-L17 PolarHBondContact O-N 3.31Å; K15-L17 VanDerWaalsContact O-N 3.13Å; K15-W22 HydrophobicContact CG-CH2 4.26Å | ||
| 16 | P | 54.4 | Low | 64 | Low | 23 Ų | 23 | 94.5 Ų | 94.5 | 15% | 0.149 | 51% | 0.505 | C | S | . | . | trans | -59.5 | 124.8 | 176.7 | -6.3 | 17.7 | 0 | 0 | 0 | 109.6 | N18 W22 | P16-N18 PolarHBondContact O-N 3.46Å; P16-W22 HydrophobicContact CB-CD2 4.15Å; P16-W22 HydrophobicContact CB-CG 4.17Å; P16-W22 HydrophobicContact CB-CZ2 4.33Å; P16-W22 HydrophobicContact CG-CD2 3.55Å; P16-W22 HydrophobicContact CG-CE3 3.89Å; P16-W22 HydrophobicContact CG-CG 3.9Å; P16-W22 HydrophobicContact CG-CH2 4.26Å; P16-W22 HydrophobicContact CG-CZ2 3.94Å; P16-W22 HydrophobicContact CG-CZ3 4.19Å; P16-W22 WeakPolarHBondContact O-CZ2 3.25Å; P16-W22 PolarHBondContact O-NE1 3.49Å | ||
| 17 | L | 61.4 | Low | 64.2 | Low | 171 Ų | 171 | 88.5 Ų | 88.5 | 90% | 0.895 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -57.9 | -20.1 | -175.7 | -65.7 | 150.5 | 0 | 0 | 0 | 112.7 | K15 | K15-L17 PolarHBondContact O-N 3.31Å; K15-L17 VanDerWaalsContact O-N 3.13Å |
| 18 | N | 58.3 | Low | 64.8 | Low | 111 Ų | 111 | 94 Ų | 94 | 59% | 0.594 | 51% | 0.509 | S | S | * | . | trans | -137.6 | 114 | -173.5 | -70.5 | 75.5 | 0 | 0 | 0 | 112.4 | P16 A20 L21 W22 | P16-N18 PolarHBondContact O-N 3.46Å; N18-A20 PolarHBondContact O-N 2.78Å; N18-A20 VanDerWaalsContact O-N 3.12Å; N18-L21 PolarHBondContact O-N 3Å; N18-W22 VanDerWaalsContact C-NE1 3.29Å; N18-W22 PolarHBondContact O-NE1 2.87Å; N18-W22 VanDerWaalsContact O-NE1 3.15Å | ||
| 19 | P | 59.8 | Low | 65 | Low | 110 Ų | 110 | 91 Ų | 91 | 71% | 0.714 | 49% | 0.492 | S | S | * | . | G | 310 helix | trans | -49.4 | -34 | 178.5 | 16.1 | -29 | 0 | 0 | 0 | 115.4 | L21 W22 | P19-L21 PolarHBondContact O-N 2.9Å; P19-L21 VanDerWaalsContact O-N 3.16Å; P19-W22 VanDerWaalsContact C-CD1 3.41Å; P19-W22 VanDerWaalsContact O-CD1 3.23Å; P19-W22 PolarHBondContact O-N 3.43Å |
| 20 | A | 67.8 | Low | 65.3 | Low | 103 Ų | 103 | 88.7 Ų | 88.7 | 85% | 0.851 | 48% | 0.482 | S | S | * | . | G | 310 helix | trans | -65.1 | -22.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | N18 | N18-A20 PolarHBondContact O-N 2.78Å; N18-A20 VanDerWaalsContact O-N 3.12Å |
| 21 | L | 64.5 | Low | 65.8 | Low | 106 Ų | 106 | 93.1 Ų | 93.1 | 56% | 0.555 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -114.4 | 16.5 | -175.2 | -148.5 | 79.6 | 0 | 0 | 0 | 112.9 | N18 P19 F23 S24 H25 | N18-L21 PolarHBondContact O-N 3Å; P19-L21 PolarHBondContact O-N 2.9Å; P19-L21 VanDerWaalsContact O-N 3.16Å; L21-F23 PolarHBondContact O-N 2.97Å; L21-S24 WeakPolarHBondContact CG-OG 3.1Å; L21-S24 PolarHBondContact O-OG 3.43Å; L21-H25 WeakPolarHBondContact O-CB 3.44Å; L21-H25 PolarHBondContact O-N 3.39Å |
| 22 | W | 63.5 | Low | 66.4 | Low | 53 Ų | 53 | 94 Ų | 94 | 20% | 0.201 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -63.8 | -42.7 | -170.9 | -82.6 | 40.8 | 0 | 0 | 0 | 112.7 | K15 P16 N18 P19 S26 N64 | K15-W22 HydrophobicContact CG-CH2 4.26Å; P16-W22 HydrophobicContact CB-CD2 4.15Å; P16-W22 HydrophobicContact CB-CG 4.17Å; P16-W22 HydrophobicContact CB-CZ2 4.33Å; P16-W22 HydrophobicContact CG-CD2 3.55Å; P16-W22 HydrophobicContact CG-CE3 3.89Å; P16-W22 HydrophobicContact CG-CG 3.9Å; P16-W22 HydrophobicContact CG-CH2 4.26Å; P16-W22 HydrophobicContact CG-CZ2 3.94Å; P16-W22 HydrophobicContact CG-CZ3 4.19Å; P16-W22 WeakPolarHBondContact O-CZ2 3.25Å; P16-W22 PolarHBondContact O-NE1 3.49Å; N18-W22 VanDerWaalsContact C-NE1 3.29Å; N18-W22 PolarHBondContact O-NE1 2.87Å; N18-W22 VanDerWaalsContact O-NE1 3.15Å; P19-W22 VanDerWaalsContact C-CD1 3.41Å; P19-W22 VanDerWaalsContact O-CD1 3.23Å; P19-W22 PolarHBondContact O-N 3.43Å; W22-S26 WeakPolarHBondContact O-CB 2.85Å; W22-S26 PolarHBondContact O-N 3.12Å; W22-S26 PolarHBondContact O-OG 3.34Å; W22-N64 HydrophobicContact CE3-CB 4.37Å; W22-N64 WeakPolarHBondContact CH2-ND2 3.36Å; W22-N64 HydrophobicContact CZ3-CB 3.64Å; W22-N64 WeakPolarHBondContact CZ3-ND2 3.49Å |
| 23 | F | 68.5 | Low | 66.7 | Low | 124 Ų | 124 | 88.8 Ų | 88.8 | 54% | 0.544 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -68.7 | -38.2 | -175.7 | -176.6 | -98.5 | 0 | 0 | 0 | 113.4 | L21 S26 M27 L67 | L21-F23 PolarHBondContact O-N 2.97Å; F23-S26 VanDerWaalsContact C-OG 3.23Å; F23-S26 VanDerWaalsContact CA-OG 3.3Å; F23-S26 WeakPolarHBondContact CA-OG 3.37Å; F23-S26 PolarHBondContact O-OG 3.45Å; F23-M27 HydrophobicContact CE1-CE 4.27Å; F23-M27 HydrophobicContact CE1-CG 4.3Å; F23-M27 HydrophobicContact CE2-CE 3.69Å; F23-M27 HydrophobicContact CZ-CE 3.46Å; F23-M27 VanDerWaalsContact CZ-CE 3.46Å; F23-M27 HydrophobicContact CZ-CG 4.32Å; F23-M27 WeakPolarHBondContact O-CB 3.44Å; F23-M27 VanDerWaalsContact O-CG 3.23Å; F23-M27 WeakPolarHBondContact O-CG 3.08Å; F23-M27 PolarHBondContact O-N 3.4Å; F23-L67 VanDerWaalsContact CE2-O 3.3Å; F23-L67 WeakPolarHBondContact CE2-O 3.22Å |
| 24 | S | 68.4 | Low | 67.1 | Low | 62 Ų | 62 | 87.4 Ų | 87.4 | 43% | 0.434 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -78.4 | -38.4 | 177.3 | 45 | 0 | 0 | 0 | 0 | 111.3 | L21 S26 F28 | L21-S24 WeakPolarHBondContact CG-OG 3.1Å; L21-S24 PolarHBondContact O-OG 3.43Å; S24-S26 VanDerWaalsContact C-N 3.32Å; S24-S26 PolarHBondContact O-N 2.84Å; S24-F28 VanDerWaalsContact O-CB 3.25Å; S24-F28 WeakPolarHBondContact O-CB 3.46Å; S24-F28 PolarHBondContact O-N 3.07Å |
| 25 | H | 69.9 | Low | 68 | Low | 75 Ų | 75 | 85.4 Ų | 85.4 | 35% | 0.347 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -66.1 | -35.2 | 175.8 | -164.4 | -82.5 | 0 | 0 | 0 | 111.9 | L21 M29 | L21-H25 WeakPolarHBondContact O-CB 3.44Å; L21-H25 PolarHBondContact O-N 3.39Å; H25-M29 WeakPolarHBondContact CE1-CE 3.23Å; H25-M29 WeakPolarHBondContact O-CB 3.21Å; H25-M29 VanDerWaalsContact O-CG 3.26Å; H25-M29 WeakPolarHBondContact O-CG 3.46Å; H25-M29 PolarHBondContact O-N 3.48Å |
| 26 | S | 68.9 | Low | 68.7 | Low | 4 Ų | 4 | 81.8 Ų | 81.8 | 3% | 0.028 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -67.7 | -48.9 | 174.9 | 53 | 0 | 0 | 0 | 0 | 113.3 | W22 F23 S24 F28 M29 G30 F66 | W22-S26 WeakPolarHBondContact O-CB 2.85Å; W22-S26 PolarHBondContact O-N 3.12Å; W22-S26 PolarHBondContact O-OG 3.34Å; F23-S26 VanDerWaalsContact C-OG 3.23Å; F23-S26 VanDerWaalsContact CA-OG 3.3Å; F23-S26 WeakPolarHBondContact CA-OG 3.37Å; F23-S26 PolarHBondContact O-OG 3.45Å; S24-S26 VanDerWaalsContact C-N 3.32Å; S24-S26 PolarHBondContact O-N 2.84Å; S26-F28 PolarHBondContact O-N 3.25Å; S26-M29 PolarHBondContact O-N 3.3Å; S26-G30 PolarHBondContact O-N 3.47Å; S26-F66 VanDerWaalsContact CB-C 3.5Å; S26-F66 VanDerWaalsContact CB-CB 3.46Å; S26-F66 WeakPolarHBondContact CB-O 3.47Å; S26-F66 PolarHBondContact OG-O 2.88Å |
| 27 | M | 71.6 | Confident | 69.3 | Low | 63 Ų | 63 | 82.2 Ų | 82.2 | 31% | 0.31 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -57.1 | -45.6 | 175.1 | -73.8 | -70.2 | -176.8 | 0 | 0 | 109.2 | F23 M29 G30 F31 L67 | F23-M27 HydrophobicContact CE1-CE 4.27Å; F23-M27 HydrophobicContact CE1-CG 4.3Å; F23-M27 HydrophobicContact CE2-CE 3.69Å; F23-M27 HydrophobicContact CZ-CE 3.46Å; F23-M27 VanDerWaalsContact CZ-CE 3.46Å; F23-M27 HydrophobicContact CZ-CG 4.32Å; F23-M27 WeakPolarHBondContact O-CB 3.44Å; F23-M27 VanDerWaalsContact O-CG 3.23Å; F23-M27 WeakPolarHBondContact O-CG 3.08Å; F23-M27 PolarHBondContact O-N 3.4Å; M27-M29 PolarHBondContact O-N 3.3Å; M27-G30 PolarHBondContact O-N 2.89Å; M27-F31 HydrophobicContact CB-CD2 4.39Å; M27-F31 HydrophobicContact CB-CE2 4.43Å; M27-F31 WeakPolarHBondContact O-CB 3.32Å; M27-F31 WeakPolarHBondContact O-CD2 3.46Å; M27-F31 PolarHBondContact O-N 3.26Å; M27-F31 HydrophobicContact SD-CE2 4.25Å; M27-L67 HydrophobicContact CE-CD2 3.76Å; M27-L67 HydrophobicContact CG-CD2 4.28Å; M27-L67 HydrophobicContact SD-CD2 3.66Å |
| 28 | F | 77.1 | Confident | 69.6 | Low | 139 Ų | 139 | 80.6 Ų | 80.6 | 61% | 0.61 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -60.3 | -46.4 | 176.8 | -170.4 | -99 | 0 | 0 | 0 | 112.6 | S24 S26 F31 Y32 | S24-F28 VanDerWaalsContact O-CB 3.25Å; S24-F28 WeakPolarHBondContact O-CB 3.46Å; S24-F28 PolarHBondContact O-N 3.07Å; S26-F28 PolarHBondContact O-N 3.25Å; F28-F31 PolarHBondContact O-N 2.92Å; F28-Y32 VanDerWaalsContact O-CB 3.22Å; F28-Y32 WeakPolarHBondContact O-CB 3.25Å; F28-Y32 PolarHBondContact O-N 3.43Å |
| 29 | M | 74.3 | Confident | 70.2 | Confident | 50 Ų | 50 | 83.6 Ų | 83.6 | 25% | 0.246 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -63.6 | -41.9 | 177.2 | -77.8 | -65.4 | 179.5 | 0 | 0 | 112.4 | I13 H25 S26 M27 Y32 L33 | I13-M29 HydrophobicContact CG2-CE 4.08Å; H25-M29 WeakPolarHBondContact CE1-CE 3.23Å; H25-M29 WeakPolarHBondContact O-CB 3.21Å; H25-M29 VanDerWaalsContact O-CG 3.26Å; H25-M29 WeakPolarHBondContact O-CG 3.46Å; H25-M29 PolarHBondContact O-N 3.48Å; S26-M29 PolarHBondContact O-N 3.3Å; M27-M29 PolarHBondContact O-N 3.3Å; M29-Y32 PolarHBondContact O-N 3.01Å; M29-L33 WeakPolarHBondContact O-CB 3.41Å; M29-L33 WeakPolarHBondContact O-CD1 3.48Å; M29-L33 WeakPolarHBondContact O-CG 3.35Å; M29-L33 PolarHBondContact O-N 3.23Å |
| 30 | G | 72.9 | Confident | 70.4 | Confident | 29 Ų | 29 | 85.8 Ų | 85.8 | 30% | 0.299 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.9 | -45.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S26 M27 L33 L34 | S26-G30 PolarHBondContact O-N 3.47Å; M27-G30 PolarHBondContact O-N 2.89Å; G30-L33 PolarHBondContact O-N 3.48Å; G30-L34 WeakPolarHBondContact O-CB 3.23Å; G30-L34 PolarHBondContact O-N 3.32Å |
| 31 | F | 76.8 | Confident | 70.4 | Confident | 125 Ų | 125 | 91.1 Ų | 91.1 | 55% | 0.548 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -67 | -36.7 | 174.9 | -78 | -63.8 | 0 | 0 | 0 | 112.4 | M27 F28 L34 S35 | M27-F31 HydrophobicContact CB-CD2 4.39Å; M27-F31 HydrophobicContact CB-CE2 4.43Å; M27-F31 WeakPolarHBondContact O-CB 3.32Å; M27-F31 WeakPolarHBondContact O-CD2 3.46Å; M27-F31 PolarHBondContact O-N 3.26Å; M27-F31 HydrophobicContact SD-CE2 4.25Å; F28-F31 PolarHBondContact O-N 2.92Å; F31-L34 PolarHBondContact O-N 2.93Å; F31-S35 VanDerWaalsContact O-CB 3.25Å; F31-S35 WeakPolarHBondContact O-CB 3.47Å; F31-S35 PolarHBondContact O-N 3.09Å; F31-S35 PolarHBondContact O-OG 3.49Å |
| 32 | Y | 75 | Confident | 70 | Confident | 134 Ų | 134 | 88.9 Ų | 88.9 | 53% | 0.525 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.6 | -47.9 | 174.9 | 179 | -97 | 0 | 0 | 0 | 111.2 | F28 M29 S35 F36 | F28-Y32 VanDerWaalsContact O-CB 3.22Å; F28-Y32 WeakPolarHBondContact O-CB 3.25Å; F28-Y32 PolarHBondContact O-N 3.43Å; M29-Y32 PolarHBondContact O-N 3.01Å; Y32-S35 PolarHBondContact O-N 3.46Å; Y32-F36 WeakPolarHBondContact O-CB 3.48Å; Y32-F36 PolarHBondContact O-N 2.87Å |
| 33 | L | 72.5 | Confident | 70.4 | Confident | 20 Ų | 20 | 89.8 Ų | 89.8 | 11% | 0.105 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -58.4 | -49.4 | 173.8 | -86.6 | 161.5 | 0 | 0 | 0 | 111.9 | V10 M29 G30 S35 F36 L37 F50 | V10-L33 HydrophobicContact CB-CD2 3.82Å; V10-L33 HydrophobicContact CG1-CD1 3.88Å; V10-L33 HydrophobicContact CG1-CD2 3.27Å; V10-L33 HydrophobicContact CG1-CG 3.64Å; V10-L33 HydrophobicContact CG2-CD2 4.26Å; M29-L33 WeakPolarHBondContact O-CB 3.41Å; M29-L33 WeakPolarHBondContact O-CD1 3.48Å; M29-L33 WeakPolarHBondContact O-CG 3.35Å; M29-L33 PolarHBondContact O-N 3.23Å; G30-L33 PolarHBondContact O-N 3.48Å; L33-S35 VanDerWaalsContact C-N 3.33Å; L33-S35 PolarHBondContact O-N 2.95Å; L33-F36 PolarHBondContact O-N 2.92Å; L33-L37 WeakPolarHBondContact O-CG 3.26Å; L33-L37 PolarHBondContact O-N 3.4Å; L33-F50 HydrophobicContact CB-CE1 3.99Å; L33-F50 HydrophobicContact CD1-CE1 3.64Å; L33-F50 HydrophobicContact CD1-CZ 3.53Å; L33-F50 HydrophobicContact CD2-CE1 3.66Å; L33-F50 HydrophobicContact CD2-CZ 3.84Å; L33-F50 HydrophobicContact CG-CE1 3.97Å; L33-F50 HydrophobicContact CG-CZ 4.2Å |
| 34 | L | 73.2 | Confident | 70.5 | Confident | 69 Ų | 69 | 89.1 Ų | 89.1 | 36% | 0.361 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61 | -42 | 178.4 | -174.8 | 63.7 | 0 | 0 | 0 | 112 | G30 F31 L37 L38 L51 | G30-L34 WeakPolarHBondContact O-CB 3.23Å; G30-L34 PolarHBondContact O-N 3.32Å; F31-L34 PolarHBondContact O-N 2.93Å; L34-L37 WeakPolarHBondContact O-CB 3.35Å; L34-L37 PolarHBondContact O-N 3.2Å; L34-L38 HydrophobicContact CG-CD1 4.4Å; L34-L38 WeakPolarHBondContact O-CG 3.31Å; L34-L38 PolarHBondContact O-N 3.48Å; L34-L51 HydrophobicContact CD1-CD1 4.24Å |
| 35 | S | 73.4 | Confident | 71 | Confident | 64 Ų | 64 | 92 Ų | 92 | 45% | 0.448 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.7 | -43.4 | 177.7 | -57.2 | 0 | 0 | 0 | 0 | 111.1 | F31 Y32 L33 L37 L38 E39 | F31-S35 VanDerWaalsContact O-CB 3.25Å; F31-S35 WeakPolarHBondContact O-CB 3.47Å; F31-S35 PolarHBondContact O-N 3.09Å; F31-S35 PolarHBondContact O-OG 3.49Å; Y32-S35 PolarHBondContact O-N 3.46Å; L33-S35 VanDerWaalsContact C-N 3.33Å; L33-S35 PolarHBondContact O-N 2.95Å; S35-L37 VanDerWaalsContact C-N 3.26Å; S35-L37 PolarHBondContact O-N 2.86Å; S35-L38 PolarHBondContact O-N 3.48Å; S35-L38 VanDerWaalsContact O-N 3.15Å; S35-E39 VanDerWaalsContact O-CB 3.3Å; S35-E39 WeakPolarHBondContact O-CB 3.39Å; S35-E39 PolarHBondContact O-N 2.76Å |
| 36 | F | 71 | Confident | 71.3 | Confident | 82 Ų | 82 | 90.1 Ų | 90.1 | 36% | 0.36 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61 | -36.2 | 175.2 | -168.9 | -96.6 | 0 | 0 | 0 | 112.2 | Y32 L33 R40 | Y32-F36 WeakPolarHBondContact O-CB 3.48Å; Y32-F36 PolarHBondContact O-N 2.87Å; L33-F36 PolarHBondContact O-N 2.92Å; F36-R40 HydrophobicContact CE1-CG 4.34Å; F36-R40 HydrophobicContact CE2-CG 4.37Å; F36-R40 HydrophobicContact CZ-CG 4.17Å; F36-R40 WeakPolarHBondContact O-CB 3.26Å; F36-R40 PolarHBondContact O-N 2.83Å; F36-R40 VanDerWaalsContact O-N 3.12Å |
| 37 | L | 67.1 | Low | 71.5 | Confident | 33 Ų | 33 | 90.9 Ų | 90.9 | 17% | 0.173 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -73.5 | -27 | 176 | -66.8 | 170.6 | 0 | 0 | 0 | 113.9 | L7 L33 L34 S35 R40 A47 F50 | L7-L37 HydrophobicContact CD1-CD2 4.47Å; L33-L37 WeakPolarHBondContact O-CG 3.26Å; L33-L37 PolarHBondContact O-N 3.4Å; L34-L37 WeakPolarHBondContact O-CB 3.35Å; L34-L37 PolarHBondContact O-N 3.2Å; S35-L37 VanDerWaalsContact C-N 3.26Å; S35-L37 PolarHBondContact O-N 2.86Å; L37-R40 CarbonylContact C-O 3.59Å; L37-A47 HydrophobicContact CB-CB 4.12Å; L37-A47 HydrophobicContact CD1-CB 4.01Å; L37-A47 HydrophobicContact CD2-CB 3.93Å; L37-A47 HydrophobicContact CG-CB 4.24Å; L37-F50 HydrophobicContact CD1-CD1 4Å |
| 38 | L | 67.8 | Low | 71.8 | Confident | 137 Ų | 137 | 93.1 Ų | 93.1 | 72% | 0.717 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -81.6 | -38 | 174.5 | -73.2 | 171.6 | 0 | 0 | 0 | 112 | L34 S35 | L34-L38 HydrophobicContact CG-CD1 4.4Å; L34-L38 WeakPolarHBondContact O-CG 3.31Å; L34-L38 PolarHBondContact O-N 3.48Å; S35-L38 PolarHBondContact O-N 3.48Å; S35-L38 VanDerWaalsContact O-N 3.15Å |
| 39 | E | 69.6 | Low | 71.9 | Confident | 174 Ų | 174 | 90.9 Ų | 90.9 | 81% | 0.813 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -78.9 | -45.1 | -173.7 | -173.8 | 161.8 | 112 | 0 | 0 | 112.5 | S35 | S35-E39 VanDerWaalsContact O-CB 3.3Å; S35-E39 WeakPolarHBondContact O-CB 3.39Å; S35-E39 PolarHBondContact O-N 2.76Å |
| 40 | R | 65.1 | Low | 71.9 | Confident | 155 Ų | 155 | 89.4 Ų | 89.4 | 59% | 0.585 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -77.1 | 137.5 | 165 | -64.8 | -78.9 | -160.2 | 170.7 | 2.3 | 105 | F36 L37 P42 | F36-R40 HydrophobicContact CE1-CG 4.34Å; F36-R40 HydrophobicContact CE2-CG 4.37Å; F36-R40 HydrophobicContact CZ-CG 4.17Å; F36-R40 WeakPolarHBondContact O-CB 3.26Å; F36-R40 PolarHBondContact O-N 2.83Å; F36-R40 VanDerWaalsContact O-N 3.12Å; L37-R40 CarbonylContact C-O 3.59Å; R40-P42 VanDerWaalsContact CB-CD 3.44Å; R40-P42 HydrophobicContact CB-CG 3.89Å; R40-P42 WeakPolarHBondContact O-CD 3.37Å |
| 41 | K | 66.9 | Low | 72 | Confident | 215 Ų | 215 | 92.2 Ų | 92.2 | 94% | 0.935 | 47% | 0.468 | S | S | * | . | trans | -87.7 | 31.8 | 171.8 | -127.8 | 159.3 | 178.4 | 172.6 | 0 | 114.1 | C43 | K41-C43 PolarHBondContact O-N 3.23Š| ||
| 42 | P | 57.3 | Low | 72.2 | Confident | 59 Ų | 59 | 88.4 Ų | 88.4 | 38% | 0.383 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -86.5 | 111 | -172.6 | 37.3 | -28 | 0 | 0 | 0 | 107 | R40 | R40-P42 VanDerWaalsContact CB-CD 3.44Å; R40-P42 HydrophobicContact CB-CG 3.89Å; R40-P42 WeakPolarHBondContact O-CD 3.37Å |
| 43 | C | 71.2 | Confident | 72.4 | Confident | 72 Ų | 72 | 84 Ų | 84 | 49% | 0.486 | 45% | 0.45 | S | S | . | . | trans | 45.3 | 89.9 | 162.3 | -59.8 | 0 | 0 | 0 | 0 | 114.4 | C3 K41 I45 C46 A47 | C3-C43 VanDerWaalsContact SG-CB 3.52Å; K41-C43 PolarHBondContact O-N 3.23Å; C43-I45 HydrophobicContact CB-CG2 4.02Å; C43-I45 PolarHBondContact O-N 3.3Å; C43-C46 HydrophobicContact CB-CB 4.17Å; C43-C46 WeakPolarHBondContact CB-SG 3.42Å; C43-C46 WeakPolarHBondContact O-CB 3.21Å; C43-C46 PolarHBondContact O-N 2.95Å; C43-A47 PolarHBondContact O-N 3.01Å | ||
| 44 | T | 71.6 | Confident | 72.4 | Confident | 110 Ų | 110 | 85.8 Ų | 85.8 | 68% | 0.675 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -43.4 | -34.1 | 171.8 | -49.8 | 0 | 0 | 0 | 0 | 113.2 | C46 A47 L48 | T44-C46 PolarHBondContact O-N 3.39Å; T44-A47 PolarHBondContact O-N 3.34Å; T44-L48 HydrophobicContact CG2-CD1 4.25Å; T44-L48 HydrophobicContact CG2-CG 4.38Å; T44-L48 WeakPolarHBondContact O-CB 3.33Å; T44-L48 WeakPolarHBondContact O-CG 3.41Å; T44-L48 PolarHBondContact O-N 3.01Å |
| 45 | I | 77.1 | Confident | 72.7 | Confident | 124 Ų | 124 | 89 Ų | 89 | 64% | 0.636 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -59.9 | -40 | 175.3 | -166.3 | 159.3 | 0 | 0 | 0 | 113.6 | C43 L48 V49 | C43-I45 HydrophobicContact CB-CG2 4.02Å; C43-I45 PolarHBondContact O-N 3.3Å; I45-L48 PolarHBondContact O-N 2.83Å; I45-V49 VanDerWaalsContact O-CG2 3.25Å; I45-V49 WeakPolarHBondContact O-CG2 3.19Å; I45-V49 PolarHBondContact O-N 3.44Å |
| 46 | C | 76.6 | Confident | 72.9 | Confident | 35 Ų | 35 | 91 Ų | 91 | 24% | 0.236 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -68 | -41.3 | 178.5 | -58.5 | 0 | 0 | 0 | 0 | 111 | C3 C43 T44 V49 F50 | C3-C46 HydrophobicContact CB-CB 3.37Å; C3-C46 WeakPolarHBondContact CB-SG 3.3Å; C3-C46 WeakPolarHBondContact SG-CB 2.8Å; C3-C46 CovalentContact SG-SG 2.05Å; C3-C46 PolarHBondContact SG-SG 3.12Å; C43-C46 HydrophobicContact CB-CB 4.17Å; C43-C46 WeakPolarHBondContact CB-SG 3.42Å; C43-C46 WeakPolarHBondContact O-CB 3.21Å; C43-C46 PolarHBondContact O-N 2.95Å; T44-C46 PolarHBondContact O-N 3.39Å; C46-V49 PolarHBondContact O-N 3.35Å; C46-F50 PolarHBondContact O-N 3.38Å; C46-F50 VanDerWaalsContact O-N 3.09Å |
| 47 | A | 73 | Confident | 73 | Confident | 19 Ų | 19 | 90.6 Ų | 90.6 | 16% | 0.157 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -63 | -45 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L37 C43 T44 F50 L51 | L37-A47 HydrophobicContact CB-CB 4.12Å; L37-A47 HydrophobicContact CD1-CB 4.01Å; L37-A47 HydrophobicContact CD2-CB 3.93Å; L37-A47 HydrophobicContact CG-CB 4.24Å; C43-A47 PolarHBondContact O-N 3.01Å; T44-A47 PolarHBondContact O-N 3.34Å; A47-F50 PolarHBondContact O-N 2.88Å; A47-L51 WeakPolarHBondContact O-CB 3.17Å; A47-L51 PolarHBondContact O-N 3.01Å |
| 48 | L | 77.7 | Confident | 73.3 | Confident | 110 Ų | 110 | 90.5 Ų | 90.5 | 58% | 0.576 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -61.9 | -44.3 | 177.5 | -76.2 | 176.5 | 0 | 0 | 0 | 112.1 | T44 I45 F50 L51 A52 | T44-L48 HydrophobicContact CG2-CD1 4.25Å; T44-L48 HydrophobicContact CG2-CG 4.38Å; T44-L48 WeakPolarHBondContact O-CB 3.33Å; T44-L48 WeakPolarHBondContact O-CG 3.41Å; T44-L48 PolarHBondContact O-N 3.01Å; I45-L48 PolarHBondContact O-N 2.83Å; L48-F50 VanDerWaalsContact C-N 3.33Å; L48-F50 PolarHBondContact O-N 2.85Å; L48-L51 PolarHBondContact O-N 3.42Å; L48-A52 VanDerWaalsContact O-CB 3.23Å; L48-A52 WeakPolarHBondContact O-CB 3.3Å; L48-A52 PolarHBondContact O-N 2.95Å |
| 49 | V | 79.2 | Confident | 73.7 | Confident | 92 Ų | 92 | 92.9 Ų | 92.9 | 56% | 0.558 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.1 | -42.1 | 177.6 | 171 | 0 | 0 | 0 | 0 | 111 | I45 C46 A52 A53 | I45-V49 VanDerWaalsContact O-CG2 3.25Å; I45-V49 WeakPolarHBondContact O-CG2 3.19Å; I45-V49 PolarHBondContact O-N 3.44Å; C46-V49 PolarHBondContact O-N 3.35Å; V49-A52 PolarHBondContact O-N 3.45Å; V49-A53 WeakPolarHBondContact O-CB 2.91Å; V49-A53 PolarHBondContact O-N 3.34Å |
| 50 | F | 74.5 | Confident | 73.8 | Confident | 19 Ų | 19 | 87.9 Ų | 87.9 | 8% | 0.083 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -67.3 | -44.4 | 178.5 | -178.8 | -110 | 0 | 0 | 0 | 112.9 | L7 L11 L33 L37 C46 A47 L48 A52 A53 L54 | L7-F50 HydrophobicContact CD1-CB 3.82Å; L7-F50 HydrophobicContact CD1-CD1 4.09Å; L7-F50 HydrophobicContact CD1-CD2 3.83Å; L7-F50 HydrophobicContact CD1-CE2 4.43Å; L7-F50 HydrophobicContact CD1-CG 3.61Å; L7-F50 HydrophobicContact CD2-CD2 3.16Å; L7-F50 HydrophobicContact CD2-CE2 3.28Å; L7-F50 HydrophobicContact CD2-CG 3.89Å; L7-F50 HydrophobicContact CD2-CZ 4.07Å; L7-F50 HydrophobicContact CG-CD2 4.04Å; L7-F50 HydrophobicContact CG-CE2 4.26Å; L7-F50 HydrophobicContact CG-CG 4.3Å; L11-F50 HydrophobicContact CD1-CE2 4.46Å; L33-F50 HydrophobicContact CB-CE1 3.99Å; L33-F50 HydrophobicContact CD1-CE1 3.64Å; L33-F50 HydrophobicContact CD1-CZ 3.53Å; L33-F50 HydrophobicContact CD2-CE1 3.66Å; L33-F50 HydrophobicContact CD2-CZ 3.84Å; L33-F50 HydrophobicContact CG-CE1 3.97Å; L33-F50 HydrophobicContact CG-CZ 4.2Å; L37-F50 HydrophobicContact CD1-CD1 4Å; C46-F50 PolarHBondContact O-N 3.38Å; C46-F50 VanDerWaalsContact O-N 3.09Å; A47-F50 PolarHBondContact O-N 2.88Å; L48-F50 VanDerWaalsContact C-N 3.33Å; L48-F50 PolarHBondContact O-N 2.85Å; F50-A52 VanDerWaalsContact C-N 3.33Å; F50-A52 PolarHBondContact O-N 2.89Å; F50-A53 PolarHBondContact O-N 3.36Å; F50-L54 HydrophobicContact CD1-CD1 4.08Å; F50-L54 HydrophobicContact CE1-CD1 3.49Å; F50-L54 VanDerWaalsContact CE1-CD1 3.49Å; F50-L54 HydrophobicContact CE1-CG 4.11Å; F50-L54 HydrophobicContact CE2-CD2 4.47Å; F50-L54 HydrophobicContact CE2-CG 4.35Å; F50-L54 HydrophobicContact CZ-CD1 3.79Å; F50-L54 HydrophobicContact CZ-CD2 4.16Å; F50-L54 HydrophobicContact CZ-CG 4.01Å; F50-L54 PolarHBondContact O-N 2.84Å |
| 51 | L | 75.4 | Confident | 73.9 | Confident | 88 Ų | 88 | 83 Ų | 83 | 46% | 0.461 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.8 | -41.8 | 176.4 | -161.9 | 160.7 | 0 | 0 | 0 | 110.8 | L34 A47 L48 A53 L54 F55 | L34-L51 HydrophobicContact CD1-CD1 4.24Å; A47-L51 WeakPolarHBondContact O-CB 3.17Å; A47-L51 PolarHBondContact O-N 3.01Å; L48-L51 PolarHBondContact O-N 3.42Å; L51-A53 VanDerWaalsContact C-N 3.35Å; L51-A53 PolarHBondContact O-N 2.9Å; L51-L54 PolarHBondContact O-N 3.07Å; L51-F55 WeakPolarHBondContact O-CB 3.33Å; L51-F55 PolarHBondContact O-N 3.27Å |
| 52 | A | 81.3 | Confident | 73.5 | Confident | 46 Ų | 46 | 82.8 Ų | 82.8 | 38% | 0.38 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.8 | -40.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L48 V49 F50 F55 L56 | L48-A52 VanDerWaalsContact O-CB 3.23Å; L48-A52 WeakPolarHBondContact O-CB 3.3Å; L48-A52 PolarHBondContact O-N 2.95Å; V49-A52 PolarHBondContact O-N 3.45Å; F50-A52 VanDerWaalsContact C-N 3.33Å; F50-A52 PolarHBondContact O-N 2.89Å; A52-F55 PolarHBondContact O-N 3.35Å; A52-L56 WeakPolarHBondContact O-CB 3.37Å; A52-L56 WeakPolarHBondContact O-CG 3.3Å; A52-L56 PolarHBondContact O-N 2.85Å |
| 53 | A | 78.3 | Confident | 73.6 | Confident | 40 Ų | 40 | 82.2 Ų | 82.2 | 33% | 0.331 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.1 | -44.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V49 F50 L51 F55 L56 I57 | V49-A53 WeakPolarHBondContact O-CB 2.91Å; V49-A53 PolarHBondContact O-N 3.34Å; F50-A53 PolarHBondContact O-N 3.36Å; L51-A53 VanDerWaalsContact C-N 3.35Å; L51-A53 PolarHBondContact O-N 2.9Å; A53-F55 VanDerWaalsContact C-N 3.32Å; A53-F55 PolarHBondContact O-N 3.04Å; A53-L56 PolarHBondContact O-N 3.28Å; A53-I57 WeakPolarHBondContact O-CB 3.37Å; A53-I57 WeakPolarHBondContact O-CD1 3.41Å; A53-I57 WeakPolarHBondContact O-CG1 3.18Å; A53-I57 PolarHBondContact O-N 2.62Å |
| 54 | L | 73.8 | Confident | 72.9 | Confident | 58 Ų | 58 | 84.1 Ų | 84.1 | 30% | 0.304 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.7 | -42 | 174.8 | -70.1 | 178.4 | 0 | 0 | 0 | 112.1 | F50 L51 C58 | F50-L54 HydrophobicContact CD1-CD1 4.08Å; F50-L54 HydrophobicContact CE1-CD1 3.49Å; F50-L54 VanDerWaalsContact CE1-CD1 3.49Å; F50-L54 HydrophobicContact CE1-CG 4.11Å; F50-L54 HydrophobicContact CE2-CD2 4.47Å; F50-L54 HydrophobicContact CE2-CG 4.35Å; F50-L54 HydrophobicContact CZ-CD1 3.79Å; F50-L54 HydrophobicContact CZ-CD2 4.16Å; F50-L54 HydrophobicContact CZ-CG 4.01Å; F50-L54 PolarHBondContact O-N 2.84Å; L51-L54 PolarHBondContact O-N 3.07Å; L54-C58 WeakPolarHBondContact O-CB 2.99Å; L54-C58 PolarHBondContact O-N 3.23Å |
| 55 | F | 78.1 | Confident | 72.4 | Confident | 138 Ų | 138 | 79.7 Ų | 79.7 | 61% | 0.605 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -65.6 | -44.5 | 178 | -168.3 | -96 | 0 | 0 | 0 | 111.8 | L51 A52 A53 C58 Y59 | L51-F55 WeakPolarHBondContact O-CB 3.33Å; L51-F55 PolarHBondContact O-N 3.27Å; A52-F55 PolarHBondContact O-N 3.35Å; A53-F55 VanDerWaalsContact C-N 3.32Å; A53-F55 PolarHBondContact O-N 3.04Å; F55-C58 PolarHBondContact O-N 2.03Å; F55-Y59 VanDerWaalsContact O-CB 3.26Å; F55-Y59 WeakPolarHBondContact O-CB 2.95Å; F55-Y59 PolarHBondContact O-N 2.96Å |
| 56 | L | 78.7 | Confident | 71.4 | Confident | 105 Ų | 105 | 78.4 Ų | 78.4 | 55% | 0.55 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63.4 | -47.1 | 176.2 | -80.8 | 168.1 | 0 | 0 | 0 | 112 | A52 A53 C58 Y59 S60 | A52-L56 WeakPolarHBondContact O-CB 3.37Å; A52-L56 WeakPolarHBondContact O-CG 3.3Å; A52-L56 PolarHBondContact O-N 2.85Å; A53-L56 PolarHBondContact O-N 3.28Å; L56-C58 PolarHBondContact O-N 3.34Å; L56-Y59 PolarHBondContact O-N 3.03Å; L56-S60 VanDerWaalsContact O-CB 3.27Å; L56-S60 WeakPolarHBondContact O-CB 3.28Å; L56-S60 PolarHBondContact O-N 3.13Å; L56-S60 PolarHBondContact O-OG 3.27Å |
| 57 | I | 73.4 | Confident | 70.4 | Confident | 73 Ų | 73 | 80.2 Ų | 80.2 | 37% | 0.374 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -59.1 | -41.2 | 177.5 | -69.2 | 162.4 | 0 | 0 | 0 | 110.2 | A53 C61 W62 | A53-I57 WeakPolarHBondContact O-CB 3.37Å; A53-I57 WeakPolarHBondContact O-CD1 3.41Å; A53-I57 WeakPolarHBondContact O-CG1 3.18Å; A53-I57 PolarHBondContact O-N 2.62Å; I57-C61 PolarHBondContact O-N 3.33Å; I57-W62 PolarHBondContact O-N 3.32Å |
| 58 | C | 73.6 | Confident | 69.3 | Low | 31 Ų | 31 | 88 Ų | 88 | 21% | 0.209 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -70.3 | -44.3 | 178.6 | -160 | 0 | 0 | 0 | 0 | 113.1 | L54 F55 L56 S60 C61 C65 | L54-C58 WeakPolarHBondContact O-CB 2.99Å; L54-C58 PolarHBondContact O-N 3.23Å; F55-C58 PolarHBondContact O-N 2.03Å; L56-C58 PolarHBondContact O-N 3.34Å; C58-S60 VanDerWaalsContact C-N 3.34Å; C58-C61 PolarHBondContact O-N 3.18Å; C58-C65 WeakPolarHBondContact CA-SG 3.48Å; C58-C65 HydrophobicContact CB-CB 4.05Å; C58-C65 WeakPolarHBondContact CB-SG 3.12Å; C58-C65 WeakPolarHBondContact SG-CB 3.27Å; C58-C65 CovalentContact SG-SG 2.03Å; C58-C65 PolarHBondContact SG-SG 3.15Å |
| 59 | Y | 74.4 | Confident | 68.2 | Low | 188 Ų | 188 | 90.4 Ų | 90.4 | 74% | 0.737 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -67.4 | -35.8 | -179.1 | -169.9 | -97.6 | 0 | 0 | 0 | 112.2 | F55 L56 C61 | F55-Y59 VanDerWaalsContact O-CB 3.26Å; F55-Y59 WeakPolarHBondContact O-CB 2.95Å; F55-Y59 PolarHBondContact O-N 2.96Å; L56-Y59 PolarHBondContact O-N 3.03Å; Y59-C61 VanDerWaalsContact C-N 3.28Å; Y59-C61 PolarHBondContact O-N 3.16Å |
| 60 | S | 72.4 | Confident | 67.2 | Low | 68 Ų | 68 | 89.9 Ų | 89.9 | 48% | 0.476 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -2.1 | 177.7 | -63.5 | 0 | 0 | 0 | 0 | 113.9 | L56 C58 W62 | L56-S60 VanDerWaalsContact O-CB 3.27Å; L56-S60 WeakPolarHBondContact O-CB 3.28Å; L56-S60 PolarHBondContact O-N 3.13Å; L56-S60 PolarHBondContact O-OG 3.27Å; C58-S60 VanDerWaalsContact C-N 3.34Å; S60-W62 PolarHBondContact O-N 3.34Å |
| 61 | C | 67.7 | Low | 66.3 | Low | 53 Ų | 53 | 93 Ų | 93 | 36% | 0.358 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.2 | 30.1 | -170.5 | -70 | 0 | 0 | 0 | 0 | 113.3 | I57 C58 Y59 G63 C70 | I57-C61 PolarHBondContact O-N 3.33Å; C58-C61 PolarHBondContact O-N 3.18Å; Y59-C61 VanDerWaalsContact C-N 3.28Å; Y59-C61 PolarHBondContact O-N 3.16Å; C61-G63 CarbonylContact C-O 3.54Å; C61-G63 PolarHBondContact O-N 3.12Å; C61-C70 HydrophobicContact CB-CB 3.78Å; C61-C70 WeakPolarHBondContact CB-SG 3.05Å; C61-C70 WeakPolarHBondContact SG-CB 3.06Å; C61-C70 CovalentContact SG-SG 2.05Å; C61-C70 PolarHBondContact SG-SG 3.45Å |
| 62 | W | 58.9 | Low | 65.1 | Low | 211 Ų | 211 | 95.6 Ų | 95.6 | 80% | 0.799 | 50% | 0.499 | S | S | * | . | trans | -84.8 | 53.8 | -169.3 | -167.1 | -13.6 | 0 | 0 | 0 | 111.7 | I57 S60 | I57-W62 PolarHBondContact O-N 3.32Å; S60-W62 PolarHBondContact O-N 3.34Å | ||
| 63 | G | 58.2 | Low | 63.2 | Low | 47 Ų | 47 | 98.9 Ų | 98.9 | 49% | 0.485 | 52% | 0.52 | S | S | . | . | S | Bend | trans | 136.2 | 169.1 | -169.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | C61 C65 | C61-G63 CarbonylContact C-O 3.54Å; C61-G63 PolarHBondContact O-N 3.12Å; G63-C65 VanDerWaalsContact C-N 3.27Å; G63-C65 PolarHBondContact O-N 3.37Å |
| 64 | N | 57.5 | Low | 61.9 | Low | 112 Ų | 112 | 103.2 Ų | 103.2 | 60% | 0.599 | 54% | 0.544 | S | S | * | . | trans | -57.9 | 97.4 | 170.9 | -74.4 | 38.4 | 0 | 0 | 0 | 107.5 | W22 F66 | W22-N64 HydrophobicContact CE3-CB 4.37Å; W22-N64 WeakPolarHBondContact CH2-ND2 3.36Å; W22-N64 HydrophobicContact CZ3-CB 3.64Å; W22-N64 WeakPolarHBondContact CZ3-ND2 3.49Å; N64-F66 PolarHBondContact O-N 3.3Å | ||
| 65 | C | 60.1 | Low | 60.3 | Low | 17 Ų | 17 | 108.3 Ų | 108.3 | 12% | 0.115 | 57% | 0.571 | C | S | . | * | trans | -60.2 | 118.1 | 171.3 | 178.5 | 0 | 0 | 0 | 0 | 105.8 | C58 G63 L67 Y68 | C58-C65 WeakPolarHBondContact CA-SG 3.48Å; C58-C65 HydrophobicContact CB-CB 4.05Å; C58-C65 WeakPolarHBondContact CB-SG 3.12Å; C58-C65 WeakPolarHBondContact SG-CB 3.27Å; C58-C65 CovalentContact SG-SG 2.03Å; C58-C65 PolarHBondContact SG-SG 3.15Å; G63-C65 VanDerWaalsContact C-N 3.27Å; G63-C65 PolarHBondContact O-N 3.37Å; C65-L67 PolarHBondContact O-N 3.23Å; C65-L67 PolarHBondContact SG-N 2.71Å; C65-Y68 PolarHBondContact O-N 2.87Å; C65-Y68 VanDerWaalsContact O-O 3.13Å | ||
| 66 | F | 57.6 | Low | 58.6 | Low | 96 Ų | 96 | 106.5 Ų | 106.5 | 42% | 0.421 | 57% | 0.573 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -48.1 | -33.2 | 176.2 | -78.1 | -69 | 0 | 0 | 0 | 112.4 | S26 N64 | S26-F66 VanDerWaalsContact CB-C 3.5Å; S26-F66 VanDerWaalsContact CB-CB 3.46Å; S26-F66 WeakPolarHBondContact CB-O 3.47Å; S26-F66 PolarHBondContact OG-O 2.88Å; N64-F66 PolarHBondContact O-N 3.3Å |
| 67 | L | 54.2 | Low | 57 | Low | 73 Ų | 73 | 110.3 Ų | 110.3 | 38% | 0.382 | 59% | 0.588 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.8 | -22.1 | -174.5 | -55.7 | -177.6 | 0 | 0 | 0 | 114.9 | F23 M27 C65 | F23-L67 VanDerWaalsContact CE2-O 3.3Å; F23-L67 WeakPolarHBondContact CE2-O 3.22Å; M27-L67 HydrophobicContact CE-CD2 3.76Å; M27-L67 HydrophobicContact CG-CD2 4.28Å; M27-L67 HydrophobicContact SD-CD2 3.66Å; C65-L67 PolarHBondContact O-N 3.23Å; C65-L67 PolarHBondContact SG-N 2.71Å |
| 68 | Y | 49.5 | Very low | 55.6 | Low | 184 Ų | 184 | 112.7 Ų | 112.7 | 72% | 0.722 | 61% | 0.611 | S | S | * | * | trans | -147.4 | 131.4 | -175.3 | -126.3 | -96.9 | 0 | 0 | 0 | 111.8 | C65 C70 | C65-Y68 PolarHBondContact O-N 2.87Å; C65-Y68 VanDerWaalsContact O-O 3.13Å; Y68-C70 PolarHBondContact O-N 2.95Å | ||
| 69 | H | 55.3 | Low | 54 | Low | 159 Ų | 159 | 115.1 Ų | 115.1 | 74% | 0.736 | 63% | 0.633 | S | S | * | * | trans | -69.5 | 112.7 | 165.8 | -139 | -87.4 | 0 | 0 | 0 | 106.5 | S71 | H69-S71 PolarHBondContact O-N 2.05Š| ||
| 70 | C | 59.3 | Low | 52.6 | Low | 82 Ų | 82 | 114.1 Ų | 114.1 | 55% | 0.554 | 64% | 0.635 | S | S | * | * | trans | -72.4 | 87.8 | 174 | -150.8 | 0 | 0 | 0 | 0 | 107.1 | C61 Y68 | C61-C70 HydrophobicContact CB-CB 3.78Å; C61-C70 WeakPolarHBondContact CB-SG 3.05Å; C61-C70 WeakPolarHBondContact SG-CB 3.06Å; C61-C70 CovalentContact SG-SG 2.05Å; C61-C70 PolarHBondContact SG-SG 3.45Å; Y68-C70 PolarHBondContact O-N 2.95Å | ||
| 71 | S | 54.1 | Low | 51.3 | Low | 83 Ų | 83 | 117.2 Ų | 117.2 | 58% | 0.58 | 65% | 0.646 | S | S | * | * | trans | -90.6 | 117.8 | 170.4 | -73.1 | 0 | 0 | 0 | 0 | 107.9 | H69 | H69-S71 PolarHBondContact O-N 2.05Š| ||
| 72 | D | 51.1 | Low | 50.2 | Low | 144 Ų | 144 | 120.2 Ų | 120.2 | 77% | 0.77 | 67% | 0.665 | S | S | * | * | trans | 71 | 96.6 | 163 | -53.7 | -62.7 | 0 | 0 | 0 | 117.8 | ||||
| 73 | S | 41.5 | Very low | 49.1 | Very low | 115 Ų | 115 | 113.4 Ų | 113.4 | 80% | 0.804 | 66% | 0.661 | S | S | * | * | trans | -161.9 | 103 | 141.2 | -77.8 | 0 | 0 | 0 | 0 | 110.2 | L75 | S73-L75 PolarHBondContact O-N 3.18Š| ||
| 74 | P | 50.8 | Low | 48.2 | Very low | 130 Ų | 130 | 117.4 Ų | 117.4 | 84% | 0.844 | 68% | 0.675 | S | S | * | * | trans | -74.3 | 103 | 169.8 | 29.2 | -28.2 | 0 | 0 | 0 | 108.5 | ||||
| 75 | L | 40 | Very low | 47.1 | Very low | 166 Ų | 166 | 119 Ų | 119 | 87% | 0.869 | 69% | 0.688 | S | S | * | * | trans | -144.3 | 137.7 | 159.6 | -119.7 | 128.5 | 0 | 0 | 0 | 110.4 | S73 | S73-L75 PolarHBondContact O-N 3.18Š| ||
| 76 | P | 43.2 | Very low | 46 | Very low | 100 Ų | 100 | 120.8 Ų | 120.8 | 65% | 0.649 | 71% | 0.71 | S | S | * | * | trans | -100.3 | 158.7 | -141.6 | 36.1 | -27.2 | 0 | 0 | 0 | 112.9 | ||||
| 77 | E | 44.1 | Very low | 45 | Very low | 184 Ų | 184 | 126.2 Ų | 126.2 | 86% | 0.86 | 75% | 0.752 | S | S | * | * | trans | 53.9 | 84.8 | 149.6 | -70.6 | -173.7 | 81.1 | 0 | 0 | 118.4 | ||||
| 78 | S | 43.9 | Very low | 44.6 | Very low | 123 Ų | 123 | 128.9 Ų | 128.9 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | -149.4 | 71.3 | 127.7 | -170.9 | 0 | 0 | 0 | 0 | 107.1 | |||||
| 79 | A | 40.6 | Very low | 44.3 | Very low | 82 Ų | 82 | 126 Ų | 126 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | 61.6 | 76.8 | 90.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 80 | H | 45.7 | Very low | 43.7 | Very low | 167 Ų | 167 | 124.2 Ų | 124.2 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | 169.5 | 130.2 | 137.7 | -102.6 | -33.4 | 0 | 0 | 0 | 108 | ||||
| 81 | D | 44.3 | Very low | 42.8 | Very low | 133 Ų | 133 | 126.6 Ų | 126.6 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | cis | -169 | 153.4 | -0.4 | -156.7 | -111.8 | 0 | 0 | 0 | 104.2 | ||||
| 82 | P | 43.8 | Very low | 42.1 | Very low | 117 Ų | 117 | 129.4 Ų | 129.4 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | trans | -85.9 | 124.5 | -158.9 | 32.7 | -25.9 | 0 | 0 | 0 | 111.7 | ||||
| 83 | G | 37.3 | Very low | 41.5 | Very low | 68 Ų | 68 | 128.4 Ų | 128.4 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | trans | -138.2 | 111.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 84 | V | 38.4 | Very low | 41.5 | Very low | 131 Ų | 131 | 129.4 Ų | 129.4 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | trans | 90.1 | 68.8 | 171.5 | -165.9 | 0 | 0 | 0 | 0 | 114.8 | G86 | V84-G86 PolarHBondContact O-N 3.3Š| ||
| 85 | V | 35.2 | Very low | 40.8 | Very low | 144 Ų | 144 | 129.3 Ų | 129.3 | 87% | 0.873 | 80% | 0.8 | S | S | * | * | trans | -47.3 | 113.4 | 134.2 | 165.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 86 | G | 36.7 | Very low | 40.8 | Very low | 56 Ų | 56 | 126.3 Ų | 126.3 | 58% | 0.577 | 79% | 0.794 | S | S | * | * | trans | -124.3 | 103.3 | 163.1 | 0 | 0 | 0 | 0 | 0 | 107 | V84 | V84-G86 PolarHBondContact O-N 3.3Š| ||
| 87 | T | 37 | Very low | 40.6 | Very low | 210 Ų | 210 | 128.6 Ų | 128.6 | 100% | 1.288 | 81% | 0.807 | S | S | * | * | trans | 63.7 | 0 | 168.9 | 62.3 | 0 | 0 | 0 | 0 | 117.8 |
Retrieved 87 of 87 residues in 22.3 ms
(Link to these results)