| 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 | 40.2 | Very low | 47.3 | Very low | 244 Ų | 244 | 119.3 Ų | 119.3 | 100% | 1.202 | 64% | 0.64 | S | S | * | * | 0 | 95.5 | 0 | -77.1 | 170.1 | 147.2 | 0 | 0 | 105.3 | |||||
| 2 | S | 49.3 | Very low | 47.4 | Very low | 119 Ų | 119 | 114.2 Ų | 114.2 | 83% | 0.832 | 62% | 0.619 | S | S | * | * | trans | -139 | 135 | -178.4 | -59.5 | 0 | 0 | 0 | 0 | 107 | ||||
| 3 | D | 47.2 | Very low | 47.6 | Very low | 113 Ų | 113 | 116.4 Ų | 116.4 | 60% | 0.604 | 62% | 0.62 | S | S | * | * | trans | -37.7 | 124.1 | -167.6 | -70.4 | -70.4 | 0 | 0 | 0 | 117.6 | D6 | D3-D6 HydrophobicContact CB-CB 4.24Å; D3-D6 WeakPolarHBondContact CB-OD2 3.31Å; D3-D6 VanDerWaalsContact CG-OD2 3.31Å | ||
| 4 | S | 53.1 | Low | 47.8 | Very low | 112 Ų | 112 | 112.4 Ų | 112.4 | 78% | 0.783 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -94 | -3.4 | 157.9 | 60.4 | 0 | 0 | 0 | 0 | 112.7 | ||
| 5 | S | 51.3 | Low | 48.2 | Very low | 75 Ų | 75 | 112.8 Ų | 112.8 | 52% | 0.524 | 60% | 0.6 | S | S | . | * | S | Bend | trans | -79.1 | -48 | 178.9 | -177.1 | 0 | 0 | 0 | 0 | 111.6 | Y7 H8 | S5-Y7 PolarHBondContact O-N 3.38Å; S5-H8 PolarHBondContact O-N 3.34Å |
| 6 | D | 47.7 | Very low | 48.4 | Very low | 91 Ų | 91 | 110.8 Ų | 110.8 | 49% | 0.487 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -66.1 | -24.4 | -176.7 | -66 | -38.8 | 0 | 0 | 0 | 113.5 | D3 H8 C10 | D3-D6 HydrophobicContact CB-CB 4.24Å; D3-D6 WeakPolarHBondContact CB-OD2 3.31Å; D3-D6 VanDerWaalsContact CG-OD2 3.31Å; D6-H8 VanDerWaalsContact C-N 3.33Å; D6-C10 WeakPolarHBondContact O-CB 3.35Å; D6-C10 PolarHBondContact O-N 2.88Å; D6-C10 VanDerWaalsContact O-N 3.16Å; D6-C10 PolarHBondContact O-SG 3.44Å |
| 7 | Y | 46.2 | Very low | 48.8 | Very low | 153 Ų | 153 | 111.4 Ų | 111.4 | 60% | 0.6 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -73.3 | -27.5 | -179.1 | -155 | -97.9 | 0 | 0 | 0 | 112.5 | S5 R11 | S5-Y7 PolarHBondContact O-N 3.38Å; Y7-R11 PolarHBondContact O-N 3.44Å |
| 8 | H | 44.8 | Very low | 49.1 | Very low | 85 Ų | 85 | 116.5 Ų | 116.5 | 39% | 0.394 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -79.2 | -45.3 | 178.7 | -147.5 | -70.1 | 0 | 0 | 0 | 111 | S5 D6 C10 R11 C12 N69 | S5-H8 PolarHBondContact O-N 3.34Å; D6-H8 VanDerWaalsContact C-N 3.33Å; H8-C10 VanDerWaalsContact C-N 3.31Å; H8-C10 PolarHBondContact O-N 3.45Å; H8-R11 PolarHBondContact O-N 2.87Å; H8-R11 VanDerWaalsContact O-N 3.09Å; H8-C12 PolarHBondContact O-N 3.25Å; H8-N69 PolarHBondContact CE1-ND2 3.4Å; H8-N69 PolarHBondContact NE2-ND2 3.31Å; H8-N69 VanDerWaalsContact NE2-ND2 3.1Å; H8-N69 PolarHBondContact NE2-OD1 2.96Å |
| 9 | D | 47.2 | Very low | 49.3 | Very low | 107 Ų | 107 | 112.4 Ų | 112.4 | 57% | 0.572 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -60.2 | -40.1 | 175.9 | -79.9 | -19.8 | 0 | 0 | 0 | 112 | R11 C12 F13 | D9-R11 VanDerWaalsContact C-N 3.35Å; D9-R11 PolarHBondContact O-N 2.91Å; D9-C12 PolarHBondContact O-N 3.29Å; D9-F13 VanDerWaalsContact O-CB 3.32Å; D9-F13 WeakPolarHBondContact O-CB 3.21Å; D9-F13 PolarHBondContact O-N 3.07Å |
| 10 | C | 46.8 | Very low | 49.2 | Very low | 79 Ų | 79 | 109.8 Ų | 109.8 | 53% | 0.534 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.9 | -38 | 175.5 | -74.4 | 0 | 0 | 0 | 0 | 113 | D6 H8 S14 | D6-C10 WeakPolarHBondContact O-CB 3.35Å; D6-C10 PolarHBondContact O-N 2.88Å; D6-C10 VanDerWaalsContact O-N 3.16Å; D6-C10 PolarHBondContact O-SG 3.44Å; H8-C10 VanDerWaalsContact C-N 3.31Å; H8-C10 PolarHBondContact O-N 3.45Å; C10-S14 WeakPolarHBondContact O-CB 3.38Å; C10-S14 PolarHBondContact O-N 3.47Å; C10-S14 PolarHBondContact O-OG 3.47Å |
| 11 | R | 46.4 | Very low | 49.2 | Very low | 134 Ų | 134 | 106.5 Ų | 106.5 | 51% | 0.506 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -72.5 | -41 | 179 | -75.8 | -164.9 | -175.9 | -151.8 | 1.7 | 111.8 | Y7 H8 D9 S14 F15 | Y7-R11 PolarHBondContact O-N 3.44Å; H8-R11 PolarHBondContact O-N 2.87Å; H8-R11 VanDerWaalsContact O-N 3.09Å; D9-R11 VanDerWaalsContact C-N 3.35Å; D9-R11 PolarHBondContact O-N 2.91Å; R11-S14 PolarHBondContact O-N 3.01Å; R11-F15 WeakPolarHBondContact O-CB 3.46Å; R11-F15 PolarHBondContact O-N 2.84Å |
| 12 | C | 49 | Very low | 49.7 | Very low | 58 Ų | 58 | 101.4 Ų | 101.4 | 39% | 0.392 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.5 | -44 | 173.8 | -73.2 | 0 | 0 | 0 | 0 | 111.5 | H8 D9 S14 F15 L16 | H8-C12 PolarHBondContact O-N 3.25Å; D9-C12 PolarHBondContact O-N 3.29Å; C12-S14 PolarHBondContact O-N 3.33Å; C12-F15 PolarHBondContact O-N 3.3Å; C12-L16 WeakPolarHBondContact O-CB 3.25Å; C12-L16 WeakPolarHBondContact O-CG 3.48Å; C12-L16 PolarHBondContact O-N 3.37Å |
| 13 | F | 50.1 | Low | 49.5 | Very low | 143 Ų | 143 | 98.7 Ų | 98.7 | 63% | 0.627 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.9 | -44.6 | 176.6 | -170.3 | -93.5 | 0 | 0 | 0 | 112 | D9 F15 L16 Q17 | D9-F13 VanDerWaalsContact O-CB 3.32Å; D9-F13 WeakPolarHBondContact O-CB 3.21Å; D9-F13 PolarHBondContact O-N 3.07Å; F13-F15 VanDerWaalsContact C-N 3.34Å; F13-F15 PolarHBondContact O-N 3.45Å; F13-L16 PolarHBondContact O-N 3.32Å; F13-Q17 WeakPolarHBondContact O-CB 2.89Å; F13-Q17 PolarHBondContact O-N 3.41Å |
| 14 | S | 49.3 | Very low | 49.4 | Very low | 60 Ų | 60 | 97.7 Ų | 97.7 | 42% | 0.42 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.8 | -39.4 | 177.3 | -55.8 | 0 | 0 | 0 | 0 | 112.5 | C10 R11 C12 R18 | C10-S14 WeakPolarHBondContact O-CB 3.38Å; C10-S14 PolarHBondContact O-N 3.47Å; C10-S14 PolarHBondContact O-OG 3.47Å; R11-S14 PolarHBondContact O-N 3.01Å; C12-S14 PolarHBondContact O-N 3.33Å; S14-R18 WeakPolarHBondContact O-CG 3.49Å; S14-R18 PolarHBondContact O-N 3.33Å |
| 15 | F | 53.7 | Low | 49 | Very low | 119 Ų | 119 | 95.1 Ų | 95.1 | 52% | 0.522 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.3 | -46.3 | 178 | -178.2 | -106.6 | 0 | 0 | 0 | 111.5 | R11 C12 F13 Q17 R18 I19 | R11-F15 WeakPolarHBondContact O-CB 3.46Å; R11-F15 PolarHBondContact O-N 2.84Å; C12-F15 PolarHBondContact O-N 3.3Å; F13-F15 VanDerWaalsContact C-N 3.34Å; F13-F15 PolarHBondContact O-N 3.45Å; F15-Q17 VanDerWaalsContact C-N 3.3Å; F15-Q17 PolarHBondContact O-N 3.17Å; F15-R18 PolarHBondContact O-N 3.48Å; F15-I19 HydrophobicContact CD1-CD1 3.66Å; F15-I19 HydrophobicContact CD2-CD1 4.46Å; F15-I19 HydrophobicContact CE1-CD1 3.15Å; F15-I19 HydrophobicContact CE1-CG1 4.3Å; F15-I19 HydrophobicContact CE2-CD1 4.03Å; F15-I19 HydrophobicContact CG-CD1 4.31Å; F15-I19 HydrophobicContact CZ-CD1 3.38Å; F15-I19 HydrophobicContact CZ-CG1 4.32Å; F15-I19 WeakPolarHBondContact O-CG1 3.24Å; F15-I19 PolarHBondContact O-N 3Å |
| 16 | L | 51.4 | Low | 48.5 | Very low | 80 Ų | 80 | 93.9 Ų | 93.9 | 42% | 0.419 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.8 | -36.3 | 175.1 | -70.5 | 173.3 | 0 | 0 | 0 | 112 | C12 F13 I19 S20 | C12-L16 WeakPolarHBondContact O-CB 3.25Å; C12-L16 WeakPolarHBondContact O-CG 3.48Å; C12-L16 PolarHBondContact O-N 3.37Å; F13-L16 PolarHBondContact O-N 3.32Å; L16-I19 PolarHBondContact O-N 2.89Å; L16-S20 WeakPolarHBondContact O-CB 3.31Å; L16-S20 PolarHBondContact O-N 3.39Å; L16-S20 PolarHBondContact O-OG 2.82Å |
| 17 | Q | 55.9 | Low | 48.1 | Very low | 121 Ų | 121 | 94.4 Ų | 94.4 | 57% | 0.565 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -69.5 | -34.8 | 176.1 | -166.6 | 176.9 | 3.9 | 0 | 0 | 112.6 | F13 F15 S20 G21 | F13-Q17 WeakPolarHBondContact O-CB 2.89Å; F13-Q17 PolarHBondContact O-N 3.41Å; F15-Q17 VanDerWaalsContact C-N 3.3Å; F15-Q17 PolarHBondContact O-N 3.17Å; Q17-S20 WeakPolarHBondContact CA-OG 3.38Å; Q17-S20 PolarHBondContact O-OG 3.11Å; Q17-G21 PolarHBondContact O-N 3.2Å |
| 18 | R | 54.1 | Low | 47.7 | Very low | 204 Ų | 204 | 89.2 Ų | 89.2 | 77% | 0.77 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -71.3 | -40.2 | 172.6 | -78 | -177.3 | 179.3 | 178.1 | 0.2 | 112 | S14 F15 G21 F22 | S14-R18 WeakPolarHBondContact O-CG 3.49Å; S14-R18 PolarHBondContact O-N 3.33Å; F15-R18 PolarHBondContact O-N 3.48Å; R18-G21 PolarHBondContact O-N 3.5Å; R18-F22 WeakPolarHBondContact O-CB 3.08Å; R18-F22 PolarHBondContact O-N 2.88Å |
| 19 | I | 53.4 | Low | 47.6 | Very low | 39 Ų | 39 | 91.2 Ų | 91.2 | 20% | 0.2 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -66.9 | -42.9 | 175.4 | -71.4 | 178.3 | 0 | 0 | 0 | 110.5 | F15 L16 G21 F22 I23 I79 | F15-I19 HydrophobicContact CD1-CD1 3.66Å; F15-I19 HydrophobicContact CD2-CD1 4.46Å; F15-I19 HydrophobicContact CE1-CD1 3.15Å; F15-I19 HydrophobicContact CE1-CG1 4.3Å; F15-I19 HydrophobicContact CE2-CD1 4.03Å; F15-I19 HydrophobicContact CG-CD1 4.31Å; F15-I19 HydrophobicContact CZ-CD1 3.38Å; F15-I19 HydrophobicContact CZ-CG1 4.32Å; F15-I19 WeakPolarHBondContact O-CG1 3.24Å; F15-I19 PolarHBondContact O-N 3Å; L16-I19 PolarHBondContact O-N 2.89Å; I19-G21 VanDerWaalsContact C-N 3.33Å; I19-G21 PolarHBondContact O-N 3.01Å; I19-F22 CarbonylContact O-C 3.56Å; I19-F22 WeakPolarHBondContact O-CA 3.4Å; I19-F22 WeakPolarHBondContact O-CB 3.42Å; I19-F22 PolarHBondContact O-N 2.87Å; I19-F22 VanDerWaalsContact O-N 3.09Å; I19-I23 HydrophobicContact CG2-CD1 3.54Å; I19-I23 HydrophobicContact CG2-CG1 4.04Å; I19-I23 WeakPolarHBondContact O-CB 3.44Å; I19-I23 VanDerWaalsContact O-CG1 3.28Å; I19-I23 WeakPolarHBondContact O-CG1 3.34Å; I19-I23 PolarHBondContact O-N 3.11Å; I19-I79 HydrophobicContact CD1-CD1 4.27Å |
| 20 | S | 47.5 | Very low | 47.2 | Very low | 59 Ų | 59 | 90.6 Ų | 90.6 | 41% | 0.413 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.8 | -40.9 | 176.3 | 68.9 | 0 | 0 | 0 | 0 | 111 | L16 Q17 F22 I23 V24 | L16-S20 WeakPolarHBondContact O-CB 3.31Å; L16-S20 PolarHBondContact O-N 3.39Å; L16-S20 PolarHBondContact O-OG 2.82Å; Q17-S20 WeakPolarHBondContact CA-OG 3.38Å; Q17-S20 PolarHBondContact O-OG 3.11Å; S20-F22 VanDerWaalsContact C-N 3.29Å; S20-F22 PolarHBondContact O-N 2.8Å; S20-I23 PolarHBondContact O-N 3.11Å; S20-V24 VanDerWaalsContact O-CB 3.28Å; S20-V24 WeakPolarHBondContact O-CB 3.32Å; S20-V24 WeakPolarHBondContact O-CG2 3.32Å; S20-V24 PolarHBondContact O-N 3.07Å |
| 21 | G | 48.7 | Very low | 46.7 | Very low | 42 Ų | 42 | 91.6 Ų | 91.6 | 43% | 0.433 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.3 | -35.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q17 R18 I19 S25 | Q17-G21 PolarHBondContact O-N 3.2Å; R18-G21 PolarHBondContact O-N 3.5Å; I19-G21 VanDerWaalsContact C-N 3.33Å; I19-G21 PolarHBondContact O-N 3.01Å; G21-S25 WeakPolarHBondContact O-CB 3.42Å; G21-S25 PolarHBondContact O-N 2.98Å |
| 22 | F | 50.1 | Low | 46.7 | Very low | 136 Ų | 136 | 92.9 Ų | 92.9 | 60% | 0.596 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -72.4 | -45.5 | 176.2 | -171.6 | -93.7 | 0 | 0 | 0 | 112.3 | R18 I19 S20 S25 S26 | R18-F22 WeakPolarHBondContact O-CB 3.08Å; R18-F22 PolarHBondContact O-N 2.88Å; I19-F22 CarbonylContact O-C 3.56Å; I19-F22 WeakPolarHBondContact O-CA 3.4Å; I19-F22 WeakPolarHBondContact O-CB 3.42Å; I19-F22 PolarHBondContact O-N 2.87Å; I19-F22 VanDerWaalsContact O-N 3.09Å; S20-F22 VanDerWaalsContact C-N 3.29Å; S20-F22 PolarHBondContact O-N 2.8Å; F22-S25 CarbonylContact O-C 3.55Å; F22-S25 PolarHBondContact O-N 2.77Å; F22-S26 VanDerWaalsContact O-CB 3.24Å; F22-S26 WeakPolarHBondContact O-CB 3.43Å; F22-S26 PolarHBondContact O-N 2.74Å |
| 23 | I | 46.7 | Very low | 46.4 | Very low | 62 Ų | 62 | 97.5 Ų | 97.5 | 32% | 0.318 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62 | -49.1 | 177.1 | -67.1 | 169.6 | 0 | 0 | 0 | 109.2 | I19 S20 S25 S26 E27 | I19-I23 HydrophobicContact CG2-CD1 3.54Å; I19-I23 HydrophobicContact CG2-CG1 4.04Å; I19-I23 WeakPolarHBondContact O-CB 3.44Å; I19-I23 VanDerWaalsContact O-CG1 3.28Å; I19-I23 WeakPolarHBondContact O-CG1 3.34Å; I19-I23 PolarHBondContact O-N 3.11Å; S20-I23 PolarHBondContact O-N 3.11Å; I23-S25 VanDerWaalsContact C-N 3.32Å; I23-S25 PolarHBondContact O-N 2.99Å; I23-S26 PolarHBondContact O-N 2.85Å; I23-S26 VanDerWaalsContact O-N 3.11Å; I23-E27 HydrophobicContact CG2-CG 4.48Å; I23-E27 WeakPolarHBondContact O-CB 3.28Å; I23-E27 PolarHBondContact O-N 3.13Å |
| 24 | V | 43.8 | Very low | 46 | Very low | 92 Ų | 92 | 98.1 Ų | 98.1 | 56% | 0.558 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63 | -38.8 | 177.2 | 174.1 | 0 | 0 | 0 | 0 | 111.2 | S20 S26 A28 | S20-V24 VanDerWaalsContact O-CB 3.28Å; S20-V24 WeakPolarHBondContact O-CB 3.32Å; S20-V24 WeakPolarHBondContact O-CG2 3.32Å; S20-V24 PolarHBondContact O-N 3.07Å; V24-S26 VanDerWaalsContact C-N 3.34Å; V24-A28 WeakPolarHBondContact O-CB 3.33Å; V24-A28 PolarHBondContact O-N 3.07Å |
| 25 | S | 44 | Very low | 45.6 | Very low | 59 Ų | 59 | 100.9 Ų | 100.9 | 41% | 0.413 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -73.9 | -24 | 176 | -172.8 | 0 | 0 | 0 | 0 | 113.4 | G21 F22 I23 K29 | G21-S25 WeakPolarHBondContact O-CB 3.42Å; G21-S25 PolarHBondContact O-N 2.98Å; F22-S25 CarbonylContact O-C 3.55Å; F22-S25 PolarHBondContact O-N 2.77Å; I23-S25 VanDerWaalsContact C-N 3.32Å; I23-S25 PolarHBondContact O-N 2.99Å; S25-K29 WeakPolarHBondContact O-CB 3.41Å; S25-K29 VanDerWaalsContact O-CG 3.31Å; S25-K29 WeakPolarHBondContact O-CG 3.43Å; S25-K29 PolarHBondContact O-N 3.47Å |
| 26 | S | 41.9 | Very low | 45 | Very low | 48 Ų | 48 | 105.1 Ų | 105.1 | 34% | 0.336 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -81.3 | -44.1 | 176.8 | -151.2 | 0 | 0 | 0 | 0 | 110.4 | F22 I23 V24 A28 K29 Q30 | F22-S26 VanDerWaalsContact O-CB 3.24Å; F22-S26 WeakPolarHBondContact O-CB 3.43Å; F22-S26 PolarHBondContact O-N 2.74Å; I23-S26 PolarHBondContact O-N 2.85Å; I23-S26 VanDerWaalsContact O-N 3.11Å; V24-S26 VanDerWaalsContact C-N 3.34Å; S26-A28 VanDerWaalsContact C-N 3.34Å; S26-A28 PolarHBondContact O-N 3.24Å; S26-K29 PolarHBondContact O-N 2.75Å; S26-K29 VanDerWaalsContact O-N 3.11Å; S26-Q30 PolarHBondContact O-N 3.09Å |
| 27 | E | 40.2 | Very low | 44.6 | Very low | 103 Ų | 103 | 107.7 Ų | 107.7 | 48% | 0.481 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.9 | -42.2 | 170.1 | -78 | -176.8 | 140.5 | 0 | 0 | 110.8 | I23 K29 Q30 M31 | I23-E27 HydrophobicContact CG2-CG 4.48Å; I23-E27 WeakPolarHBondContact O-CB 3.28Å; I23-E27 PolarHBondContact O-N 3.13Å; E27-K29 PolarHBondContact O-N 2.9Å; E27-Q30 PolarHBondContact O-N 2.88Å; E27-M31 HydrophobicContact CB-CE 4.08Å; E27-M31 WeakPolarHBondContact O-CB 3.5Å; E27-M31 WeakPolarHBondContact O-CG 3.49Å; E27-M31 PolarHBondContact O-N 3.29Å |
| 28 | A | 36.9 | Very low | 43.8 | Very low | 43 Ų | 43 | 110 Ų | 110 | 36% | 0.355 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -69.5 | -18.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | V24 S26 K32 | V24-A28 WeakPolarHBondContact O-CB 3.33Å; V24-A28 PolarHBondContact O-N 3.07Å; S26-A28 VanDerWaalsContact C-N 3.34Å; S26-A28 PolarHBondContact O-N 3.24Å; A28-K32 WeakPolarHBondContact O-CG 3.45Å |
| 29 | K | 41.9 | Very low | 43 | Very low | 127 Ų | 127 | 108.6 Ų | 108.6 | 55% | 0.552 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -88.2 | -35.8 | 172.3 | -85.9 | 179.2 | 178.1 | -179.7 | 0 | 112 | S25 S26 E27 E33 | S25-K29 WeakPolarHBondContact O-CB 3.41Å; S25-K29 VanDerWaalsContact O-CG 3.31Å; S25-K29 WeakPolarHBondContact O-CG 3.43Å; S25-K29 PolarHBondContact O-N 3.47Å; S26-K29 PolarHBondContact O-N 2.75Å; S26-K29 VanDerWaalsContact O-N 3.11Å; E27-K29 PolarHBondContact O-N 2.9Å; K29-E33 PolarHBondContact O-N 2.93Å |
| 30 | Q | 39.2 | Very low | 42.2 | Very low | 94 Ų | 94 | 115.7 Ų | 115.7 | 44% | 0.439 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -70.8 | -42.3 | 175.1 | -76.6 | -179.3 | -40.5 | 0 | 0 | 111.6 | S26 E27 K32 E33 E34 F88 | S26-Q30 PolarHBondContact O-N 3.09Å; E27-Q30 PolarHBondContact O-N 2.88Å; Q30-K32 PolarHBondContact O-N 3.42Å; Q30-E33 PolarHBondContact O-N 3.4Å; Q30-E34 PolarHBondContact O-N 3.17Å; Q30-F88 PolarHBondContact NE2-O 3.23Å |
| 31 | M | 37.5 | Very low | 41.5 | Very low | 101 Ų | 101 | 115.7 Ų | 115.7 | 50% | 0.498 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -61.3 | -31.5 | 175.3 | -73.5 | -170.3 | -90.1 | 0 | 0 | 112.5 | E27 E33 E35 | E27-M31 HydrophobicContact CB-CE 4.08Å; E27-M31 WeakPolarHBondContact O-CB 3.5Å; E27-M31 WeakPolarHBondContact O-CG 3.49Å; E27-M31 PolarHBondContact O-N 3.29Å; M31-E33 VanDerWaalsContact C-N 3.31Å; M31-E33 PolarHBondContact O-N 2.86Å; M31-E35 WeakPolarHBondContact O-CB 3.16Å; M31-E35 VanDerWaalsContact O-CG 3.31Å; M31-E35 WeakPolarHBondContact O-CG 3.28Å; M31-E35 PolarHBondContact O-N 3.1Å |
| 32 | K | 45.7 | Very low | 41 | Very low | 160 Ų | 160 | 123.2 Ų | 123.2 | 70% | 0.696 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -77.9 | -12.6 | 175.7 | -77.3 | -176.2 | 177.7 | -179.4 | 0 | 114.8 | A28 Q30 | A28-K32 WeakPolarHBondContact O-CG 3.45Å; Q30-K32 PolarHBondContact O-N 3.42Å |
| 33 | E | 41.7 | Very low | 40.5 | Very low | 156 Ų | 156 | 120.7 Ų | 120.7 | 73% | 0.729 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -95.9 | -27.5 | 175.4 | -143.2 | 162.3 | -159.5 | 0 | 0 | 111.3 | K29 Q30 M31 | K29-E33 PolarHBondContact O-N 2.93Å; Q30-E33 PolarHBondContact O-N 3.4Å; M31-E33 VanDerWaalsContact C-N 3.31Å; M31-E33 PolarHBondContact O-N 2.86Å |
| 34 | E | 42.1 | Very low | 39.8 | Very low | 156 Ų | 156 | 124.7 Ų | 124.7 | 73% | 0.729 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -86.5 | -34.5 | 173.1 | -71.3 | -174.7 | 154 | 0 | 0 | 113.9 | Q30 R36 N37 | Q30-E34 PolarHBondContact O-N 3.17Å; E34-R36 VanDerWaalsContact C-N 3.28Å; E34-R36 PolarHBondContact O-N 2.89Å; E34-N37 PolarHBondContact O-N 3.12Å |
| 35 | E | 40.8 | Very low | 39.7 | Very low | 117 Ų | 117 | 127.9 Ų | 127.9 | 55% | 0.547 | 66% | 0.658 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.1 | 7.5 | 178.4 | -68.7 | -179 | 149.1 | 0 | 0 | 114.6 | M31 N37 | M31-E35 WeakPolarHBondContact O-CB 3.16Å; M31-E35 VanDerWaalsContact O-CG 3.31Å; M31-E35 WeakPolarHBondContact O-CG 3.28Å; M31-E35 PolarHBondContact O-N 3.1Å; E35-N37 PolarHBondContact O-N 3.1Å |
| 36 | R | 41.7 | Very low | 39.3 | Very low | 209 Ų | 209 | 128.2 Ų | 128.2 | 79% | 0.789 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -0.2 | 163.8 | -146.8 | -166 | -63.7 | -170.7 | 2.7 | 112.1 | E34 | E34-R36 VanDerWaalsContact C-N 3.28Å; E34-R36 PolarHBondContact O-N 2.89Å |
| 37 | N | 43.9 | Very low | 39.2 | Very low | 134 Ų | 134 | 132 Ų | 132 | 72% | 0.717 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -114.6 | 122.4 | 159.4 | -70.4 | -27 | 0 | 0 | 0 | 106.6 | E34 E35 | E34-N37 PolarHBondContact O-N 3.12Å; E35-N37 PolarHBondContact O-N 3.1Å |
| 38 | E | 37.4 | Very low | 39.5 | Very low | 169 Ų | 169 | 134.7 Ų | 134.7 | 79% | 0.79 | 71% | 0.705 | S | S | * | * | S | Bend | trans | 73.8 | 95.3 | 176.2 | -66 | 178.2 | 141.2 | 0 | 0 | 117.5 | ||
| 39 | E | 37.8 | Very low | 39.8 | Very low | 175 Ų | 175 | 140.8 Ų | 140.8 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | trans | 56 | 85.4 | 134.6 | -62.8 | -174.6 | 147.2 | 0 | 0 | 119.3 | G41 | E39-G41 PolarHBondContact O-N 3.04Š| ||
| 40 | L | 36.1 | Very low | 39.5 | Very low | 187 Ų | 187 | 142 Ų | 142 | 98% | 0.979 | 74% | 0.736 | S | S | * | * | 22.2 | 68.8 | 124.4 | -63.1 | 168.6 | 0 | 0 | 0 | 116.4 | |||||
| 41 | G | 34.2 | Very low | 39.6 | Very low | 59 Ų | 59 | 146.8 Ų | 146.8 | 61% | 0.608 | 76% | 0.755 | S | S | * | * | trans | -102.5 | 123.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | E39 A43 | E39-G41 PolarHBondContact O-N 3.04Å; G41-A43 PolarHBondContact O-N 3.41Å | ||
| 42 | E | 37.2 | Very low | 39.7 | Very low | 200 Ų | 200 | 148.6 Ų | 148.6 | 94% | 0.935 | 77% | 0.772 | S | S | * | * | trans | -56.4 | 122.1 | -168 | -58.7 | 177.2 | 152.7 | 0 | 0 | 115.8 | ||||
| 43 | A | 40.3 | Very low | 39.5 | Very low | 84 Ų | 84 | 147 Ų | 147 | 69% | 0.694 | 77% | 0.771 | S | S | * | * | trans | -137.1 | 105.8 | 159.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | G41 L45 | G41-A43 PolarHBondContact O-N 3.41Å; A43-L45 PolarHBondContact O-N 2.89Å | ||
| 44 | V | 31 | Very low | 39.4 | Very low | 145 Ų | 145 | 147.4 Ų | 147.4 | 88% | 0.879 | 77% | 0.773 | S | S | * | * | trans | -62.3 | 95.8 | 175.1 | 173.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 45 | L | 42.4 | Very low | 39.4 | Very low | 159 Ų | 159 | 147.4 Ų | 147.4 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | trans | -104.7 | 99.6 | 164.5 | -73.7 | 170 | 0 | 0 | 0 | 107.9 | A43 D47 | A43-L45 PolarHBondContact O-N 2.89Å; L45-D47 PolarHBondContact O-N 3.23Å; L45-D47 VanDerWaalsContact O-N 3.17Å | ||
| 46 | G | 36.4 | Very low | 39.4 | Very low | 66 Ų | 66 | 148.2 Ų | 148.2 | 68% | 0.68 | 79% | 0.786 | S | S | * | * | trans | -55.6 | 113.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | D48 | G46-D48 VanDerWaalsContact C-N 3.26Å; G46-D48 PolarHBondContact O-N 3.44Å | ||
| 47 | D | 38.7 | Very low | 39 | Very low | 127 Ų | 127 | 146.8 Ų | 146.8 | 68% | 0.679 | 79% | 0.789 | S | S | * | * | S | Bend | trans | 34.2 | -1.4 | 144.8 | -113.3 | -30.3 | 0 | 0 | 0 | 124 | L45 K50 | L45-D47 PolarHBondContact O-N 3.23Å; L45-D47 VanDerWaalsContact O-N 3.17Å; D47-K50 IonicContact OD1-NZ 2.84Å; D47-K50 PolarHBondContact OD1-NZ 2.79Å |
| 48 | D | 46.4 | Very low | 39.2 | Very low | 160 Ų | 160 | 147.6 Ų | 147.6 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | trans | -100.2 | 3.8 | -171.8 | -121.3 | 11.9 | 0 | 0 | 0 | 115.1 | G46 K50 | G46-D48 VanDerWaalsContact C-N 3.26Å; G46-D48 PolarHBondContact O-N 3.44Å; D48-K50 VanDerWaalsContact C-N 3.29Å; D48-K50 PolarHBondContact O-N 3.23Å | ||
| 49 | L | 43.1 | Very low | 39.2 | Very low | 172 Ų | 172 | 145.5 Ų | 145.5 | 90% | 0.901 | 78% | 0.78 | S | S | * | * | trans | -93 | 41.6 | 176.5 | -71.1 | 169.8 | 0 | 0 | 0 | 112.9 | ||||
| 50 | K | 36.9 | Very low | 39.4 | Very low | 153 Ų | 153 | 143.5 Ų | 143.5 | 67% | 0.665 | 77% | 0.774 | S | S | * | * | trans | -103.4 | 107.6 | 172.3 | -82.8 | 170.3 | -177.4 | 140.6 | 0 | 110.1 | D47 D48 | D47-K50 IonicContact OD1-NZ 2.84Å; D47-K50 PolarHBondContact OD1-NZ 2.79Å; D48-K50 VanDerWaalsContact C-N 3.29Å; D48-K50 PolarHBondContact O-N 3.23Å | ||
| 51 | K | 39.8 | Very low | 39.4 | Very low | 194 Ų | 194 | 143 Ų | 143 | 84% | 0.843 | 76% | 0.764 | S | S | * | * | trans | 114.6 | 91.1 | 154.5 | -63.1 | 167 | 179.8 | 179.6 | 0 | 115.1 | ||||
| 52 | T | 40.7 | Very low | 40.1 | Very low | 139 Ų | 139 | 146.9 Ų | 146.9 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | 179.2 | 88.2 | 129.4 | 11 | 0 | 0 | 0 | 0 | 106.7 | |||||
| 53 | N | 41.8 | Very low | 40.1 | Very low | 126 Ų | 126 | 140.6 Ų | 140.6 | 67% | 0.674 | 75% | 0.752 | S | S | * | * | 57.2 | 95.3 | 84.7 | -159.9 | 22.1 | 0 | 0 | 0 | 113.9 | |||||
| 54 | E | 38.3 | Very low | 40.1 | Very low | 165 Ų | 165 | 143.7 Ų | 143.7 | 77% | 0.771 | 76% | 0.757 | S | S | * | * | S | Bend | trans | 47.3 | 88.6 | 138 | -58.6 | 170.6 | 173.4 | 0 | 0 | 117.3 | ||
| 55 | N | 42.5 | Very low | 40.6 | Very low | 155 Ų | 155 | 143.4 Ų | 143.4 | 83% | 0.829 | 75% | 0.751 | S | S | * | * | trans | 155.4 | 70.2 | 140.5 | -76 | -11.2 | 0 | 0 | 0 | 110.4 | E57 | N55-E57 VanDerWaalsContact C-N 3.3Å; N55-E57 PolarHBondContact O-N 3.02Å | ||
| 56 | N | 39.9 | Very low | 40.2 | Very low | 135 Ų | 135 | 141.7 Ų | 141.7 | 72% | 0.722 | 75% | 0.747 | S | S | * | * | trans | -79.9 | 76.9 | 172.7 | -96.9 | 7.7 | 0 | 0 | 0 | 110.6 | F58 | N56-F58 HydrophobicContact CB-CD2 4.33Å; N56-F58 HydrophobicContact CB-CE2 4.38Å; N56-F58 WeakPolarHBondContact OD1-CE2 3.35Å | ||
| 57 | E | 35.3 | Very low | 40.5 | Very low | 179 Ų | 179 | 143.5 Ų | 143.5 | 84% | 0.836 | 74% | 0.744 | S | S | * | * | trans | -99.3 | 91 | 155.8 | -164.6 | 172.5 | -156.5 | 0 | 0 | 106.7 | N55 D59 | N55-E57 VanDerWaalsContact C-N 3.3Å; N55-E57 PolarHBondContact O-N 3.02Å; E57-D59 VanDerWaalsContact C-N 3.33Å; E57-D59 PolarHBondContact O-N 3.44Å; E57-D59 VanDerWaalsContact O-N 3.1Å | ||
| 58 | F | 46 | Very low | 40.2 | Very low | 150 Ų | 150 | 143.2 Ų | 143.2 | 66% | 0.658 | 75% | 0.752 | S | S | * | * | trans | -80.1 | 86.3 | 173.1 | -84.4 | -82.1 | 0 | 0 | 0 | 108.8 | N56 L60 | N56-F58 HydrophobicContact CB-CD2 4.33Å; N56-F58 HydrophobicContact CB-CE2 4.38Å; N56-F58 WeakPolarHBondContact OD1-CE2 3.35Å; F58-L60 PolarHBondContact O-N 2.99Å; F58-L60 VanDerWaalsContact O-N 3.12Å | ||
| 59 | D | 38 | Very low | 40 | Very low | 126 Ų | 126 | 139.7 Ų | 139.7 | 67% | 0.674 | 73% | 0.733 | S | S | * | * | trans | -77.3 | 90 | 168.6 | -155.7 | 17.1 | 0 | 0 | 0 | 108.4 | E57 K61 | E57-D59 VanDerWaalsContact C-N 3.33Å; E57-D59 PolarHBondContact O-N 3.44Å; E57-D59 VanDerWaalsContact O-N 3.1Å; D59-K61 VanDerWaalsContact C-N 3.27Å; D59-K61 PolarHBondContact O-N 3.33Å | ||
| 60 | L | 42.8 | Very low | 39.7 | Very low | 132 Ų | 132 | 138.7 Ų | 138.7 | 69% | 0.691 | 73% | 0.729 | S | S | * | * | trans | -71.5 | 78.6 | 179.2 | -103.2 | 145.3 | 0 | 0 | 0 | 110.1 | F58 I62 | F58-L60 PolarHBondContact O-N 2.99Å; F58-L60 VanDerWaalsContact O-N 3.12Å; L60-I62 VanDerWaalsContact C-N 3.31Å; L60-I62 HydrophobicContact CD2-CG1 4.11Å; L60-I62 PolarHBondContact O-N 3.03Å; L60-I62 VanDerWaalsContact O-N 3.1Å | ||
| 61 | K | 36.8 | Very low | 39.7 | Very low | 178 Ų | 178 | 136.2 Ų | 136.2 | 77% | 0.774 | 73% | 0.731 | S | S | * | * | trans | -76.7 | 87.8 | 159.4 | -81.2 | 178 | -178.5 | 167.6 | 0 | 108.6 | D59 A63 | D59-K61 VanDerWaalsContact C-N 3.27Å; D59-K61 PolarHBondContact O-N 3.33Å; K61-A63 PolarHBondContact O-N 2.69Å | ||
| 62 | I | 48.7 | Very low | 39.9 | Very low | 139 Ų | 139 | 136.7 Ų | 136.7 | 71% | 0.713 | 73% | 0.727 | S | S | * | * | trans | -66.2 | 93.3 | 157.2 | -56.2 | 177 | 0 | 0 | 0 | 104.8 | L60 D64 | L60-I62 VanDerWaalsContact C-N 3.31Å; L60-I62 HydrophobicContact CD2-CG1 4.11Å; L60-I62 PolarHBondContact O-N 3.03Å; L60-I62 VanDerWaalsContact O-N 3.1Å; I62-D64 PolarHBondContact O-N 2.75Å | ||
| 63 | A | 37.4 | Very low | 40 | Very low | 69 Ų | 69 | 136.5 Ų | 136.5 | 57% | 0.57 | 73% | 0.726 | S | S | * | * | trans | -57.8 | 129 | 161.1 | 0 | 0 | 0 | 0 | 0 | 106.1 | K61 D65 | K61-A63 PolarHBondContact O-N 2.69Å; A63-D65 PolarHBondContact O-N 3.29Å | ||
| 64 | D | 39.1 | Very low | 40.5 | Very low | 148 Ų | 148 | 134.9 Ų | 134.9 | 79% | 0.791 | 71% | 0.714 | S | S | * | * | trans | -62 | 62.3 | 165.7 | -92 | -44.7 | 0 | 0 | 0 | 109.3 | I62 T66 | I62-D64 PolarHBondContact O-N 2.75Å; D64-T66 PolarHBondContact O-N 2.84Å | ||
| 65 | D | 40.8 | Very low | 41.2 | Very low | 140 Ų | 140 | 130.7 Ų | 130.7 | 75% | 0.749 | 70% | 0.699 | S | S | * | * | trans | -72.4 | 83.5 | 161 | -91.2 | -3.3 | 0 | 0 | 0 | 105.3 | A63 V67 | A63-D65 PolarHBondContact O-N 3.29Å; D65-V67 PolarHBondContact O-N 3.09Å | ||
| 66 | T | 35.5 | Very low | 41.7 | Very low | 123 Ų | 123 | 129.3 Ų | 129.3 | 76% | 0.755 | 69% | 0.691 | S | S | * | * | trans | -51.4 | 90.4 | 163.9 | 44.6 | 0 | 0 | 0 | 0 | 108 | D64 S68 | D64-T66 PolarHBondContact O-N 2.84Å; T66-S68 PolarHBondContact O-N 2.92Å | ||
| 67 | V | 41.2 | Very low | 42.5 | Very low | 104 Ų | 104 | 126.9 Ų | 126.9 | 63% | 0.63 | 68% | 0.681 | S | S | * | * | trans | -72.7 | 89.5 | 160.2 | -173 | 0 | 0 | 0 | 0 | 104.9 | D65 N69 | D65-V67 PolarHBondContact O-N 3.09Å; V67-N69 PolarHBondContact O-N 2.93Å | ||
| 68 | S | 33.7 | Very low | 43.5 | Very low | 120 Ų | 120 | 121.7 Ų | 121.7 | 84% | 0.839 | 66% | 0.657 | S | S | * | * | trans | -66.4 | 76.3 | 169.8 | 177.9 | 0 | 0 | 0 | 0 | 108.5 | T66 | T66-S68 PolarHBondContact O-N 2.92Š| ||
| 69 | N | 41.2 | Very low | 44.2 | Very low | 87 Ų | 87 | 116.1 Ų | 116.1 | 47% | 0.465 | 63% | 0.633 | S | S | . | * | trans | -86.1 | 130.2 | 157.6 | -155.7 | 33.8 | 0 | 0 | 0 | 105.4 | H8 V67 S71 | H8-N69 PolarHBondContact CE1-ND2 3.4Å; H8-N69 PolarHBondContact NE2-ND2 3.31Å; H8-N69 VanDerWaalsContact NE2-ND2 3.1Å; H8-N69 PolarHBondContact NE2-OD1 2.96Å; V67-N69 PolarHBondContact O-N 2.93Å; N69-S71 PolarHBondContact O-N 3.43Å; N69-S71 VanDerWaalsContact O-N 3.09Å | ||
| 70 | D | 36.6 | Very low | 45.1 | Very low | 151 Ų | 151 | 111.1 Ų | 111.1 | 81% | 0.807 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -46.2 | 125.7 | 165.4 | -94.6 | -49.5 | 0 | 0 | 0 | 108.9 | ||
| 71 | S | 38.2 | Very low | 45.7 | Very low | 101 Ų | 101 | 114.3 Ų | 114.3 | 71% | 0.706 | 61% | 0.61 | S | S | * | * | S | Bend | trans | 76.7 | 110.4 | 169.7 | 75.2 | 0 | 0 | 0 | 0 | 119.1 | N69 | N69-S71 PolarHBondContact O-N 3.43Å; N69-S71 VanDerWaalsContact O-N 3.09Å |
| 72 | R | 42.6 | Very low | 46.7 | Very low | 203 Ų | 203 | 111.2 Ų | 111.2 | 77% | 0.766 | 60% | 0.602 | S | S | * | * | trans | 76.3 | 105.3 | 157.2 | -64.9 | -179.9 | 165.7 | 173.6 | -5.1 | 118.3 | F74 | R72-F74 HydrophobicContact CB-CD2 4.39Å; R72-F74 HydrophobicContact CB-CE1 4.39Å; R72-F74 HydrophobicContact CB-CE2 3.85Å; R72-F74 HydrophobicContact CB-CZ 3.87Å | ||
| 73 | T | 44.4 | Very low | 47.1 | Very low | 136 Ų | 136 | 111.5 Ų | 111.5 | 83% | 0.834 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 120 | 152.3 | -41.2 | 0 | 0 | 0 | 0 | 108.2 | ||
| 74 | F | 51.3 | Low | 47.5 | Very low | 92 Ų | 92 | 115.1 Ų | 115.1 | 40% | 0.404 | 61% | 0.605 | S | S | . | * | P | Polyproline II helix | trans | -95.3 | 121.7 | 171.4 | -65.7 | -81.2 | 0 | 0 | 0 | 109.3 | R72 E78 I79 L82 | R72-F74 HydrophobicContact CB-CD2 4.39Å; R72-F74 HydrophobicContact CB-CE1 4.39Å; R72-F74 HydrophobicContact CB-CE2 3.85Å; R72-F74 HydrophobicContact CB-CZ 3.87Å; F74-E78 WeakPolarHBondContact CA-OE2 3.33Å; F74-E78 HydrophobicContact CB-CB 4.12Å; F74-E78 HydrophobicContact CD1-CB 3.88Å; F74-I79 HydrophobicContact CB-CG1 4.12Å; F74-L82 HydrophobicContact CD1-CD1 3.81Å; F74-L82 HydrophobicContact CE1-CD1 3.84Å; F74-L82 HydrophobicContact CG-CD1 4.42Å; F74-L82 HydrophobicContact CZ-CD1 4.49Å |
| 75 | T | 53.4 | Low | 47.9 | Very low | 77 Ų | 77 | 110.8 Ų | 110.8 | 47% | 0.472 | 58% | 0.584 | S | S | . | * | P | Polyproline II helix | trans | -64.6 | 155.4 | 168.4 | 56.7 | 0 | 0 | 0 | 0 | 110.2 | V77 E78 I79 | T75-V77 PolarHBondContact O-N 3.49Å; T75-V77 VanDerWaalsContact O-N 3.11Å; T75-E78 PolarHBondContact N-OE2 2.77Å; T75-E78 WeakPolarHBondContact O-CA 3.11Å; T75-E78 WeakPolarHBondContact O-CB 3.36Å; T75-E78 PolarHBondContact O-N 3.42Å; T75-E78 WeakPolarHBondContact OG1-CG 3.42Å; T75-E78 PolarHBondContact OG1-N 2.89Å; T75-E78 PolarHBondContact OG1-OE2 2.84Å; T75-I79 PolarHBondContact O-N 3.1Å; T75-I79 VanDerWaalsContact O-N 3.07Å |
| 76 | L | 53.3 | Low | 47.9 | Very low | 125 Ų | 125 | 108.4 Ų | 108.4 | 65% | 0.654 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -50.6 | -38.8 | 174.4 | -171 | 70.4 | 0 | 0 | 0 | 110.9 | E78 I79 T80 | L76-E78 VanDerWaalsContact C-N 3.34Å; L76-E78 PolarHBondContact O-N 2.95Å; L76-I79 PolarHBondContact O-N 3.21Å; L76-T80 WeakPolarHBondContact O-CB 3.42Å; L76-T80 PolarHBondContact O-N 2.9Å; L76-T80 PolarHBondContact O-OG1 3.44Å |
| 77 | V | 56.1 | Low | 48.2 | Very low | 84 Ų | 84 | 107 Ų | 107 | 51% | 0.509 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -58.9 | -40.1 | 173.9 | 179.3 | 0 | 0 | 0 | 0 | 112.7 | T75 R81 | T75-V77 PolarHBondContact O-N 3.49Å; T75-V77 VanDerWaalsContact O-N 3.11Å; V77-R81 WeakPolarHBondContact O-CB 3.36Å; V77-R81 VanDerWaalsContact O-CG 3.25Å; V77-R81 WeakPolarHBondContact O-CG 3.47Å; V77-R81 PolarHBondContact O-N 3.42Å |
| 78 | E | 56.9 | Low | 48.2 | Very low | 71 Ų | 71 | 112.8 Ų | 112.8 | 33% | 0.332 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -71.9 | -36.3 | 177.6 | -73.9 | 168.3 | 121.8 | 0 | 0 | 112.3 | F74 T75 L76 R81 L82 | F74-E78 WeakPolarHBondContact CA-OE2 3.33Å; F74-E78 HydrophobicContact CB-CB 4.12Å; F74-E78 HydrophobicContact CD1-CB 3.88Å; T75-E78 PolarHBondContact N-OE2 2.77Å; T75-E78 WeakPolarHBondContact O-CA 3.11Å; T75-E78 WeakPolarHBondContact O-CB 3.36Å; T75-E78 PolarHBondContact O-N 3.42Å; T75-E78 WeakPolarHBondContact OG1-CG 3.42Å; T75-E78 PolarHBondContact OG1-N 2.89Å; T75-E78 PolarHBondContact OG1-OE2 2.84Å; L76-E78 VanDerWaalsContact C-N 3.34Å; L76-E78 PolarHBondContact O-N 2.95Å; E78-R81 PolarHBondContact O-N 2.85Å; E78-L82 VanDerWaalsContact O-CB 3.32Å; E78-L82 WeakPolarHBondContact O-CB 3.32Å; E78-L82 WeakPolarHBondContact O-CD1 3.32Å; E78-L82 WeakPolarHBondContact O-CG 3.47Å; E78-L82 PolarHBondContact O-N 3.01Å |
| 79 | I | 59.7 | Low | 48.9 | Very low | 32 Ų | 32 | 112.4 Ų | 112.4 | 16% | 0.164 | 57% | 0.57 | C | S | . | * | H | α-helix | trans | -64.4 | -46.9 | 173.2 | -60.5 | 174.7 | 0 | 0 | 0 | 109.8 | I19 F74 T75 L76 R81 L82 Y83 | I19-I79 HydrophobicContact CD1-CD1 4.27Å; F74-I79 HydrophobicContact CB-CG1 4.12Å; T75-I79 PolarHBondContact O-N 3.1Å; T75-I79 VanDerWaalsContact O-N 3.07Å; L76-I79 PolarHBondContact O-N 3.21Å; I79-R81 VanDerWaalsContact C-N 3.27Å; I79-R81 PolarHBondContact O-N 2.78Å; I79-L82 PolarHBondContact O-N 3.09Å; I79-L82 VanDerWaalsContact O-N 3.13Å; I79-Y83 HydrophobicContact CG2-CD2 3.87Å; I79-Y83 HydrophobicContact CG2-CE2 4.26Å; I79-Y83 WeakPolarHBondContact O-CD2 3.37Å; I79-Y83 PolarHBondContact O-N 3.46Å |
| 80 | T | 58.4 | Low | 49.3 | Very low | 22 Ų | 22 | 113.7 Ų | 113.7 | 14% | 0.135 | 58% | 0.575 | C | S | . | * | H | α-helix | trans | -54.3 | -44.1 | 175.1 | -61.3 | 0 | 0 | 0 | 0 | 111.4 | L76 N84 V85 T87 | L76-T80 WeakPolarHBondContact O-CB 3.42Å; L76-T80 PolarHBondContact O-N 2.9Å; L76-T80 PolarHBondContact O-OG1 3.44Å; T80-N84 WeakPolarHBondContact O-CA 3.47Å; T80-N84 PolarHBondContact O-N 3.01Å; T80-V85 WeakPolarHBondContact CG2-O 3.34Å; T80-V85 PolarHBondContact O-N 3.16Å; T80-T87 HydrophobicContact CG2-CG2 3.86Å; T80-T87 WeakPolarHBondContact CG2-OG1 3.34Å |
| 81 | R | 53.8 | Low | 50 | Low | 198 Ų | 198 | 111.7 Ų | 111.7 | 75% | 0.747 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -70 | -38.1 | 175.9 | -73.4 | 174.7 | -179.8 | -170.7 | 1 | 113.7 | V77 E78 I79 | V77-R81 WeakPolarHBondContact O-CB 3.36Å; V77-R81 VanDerWaalsContact O-CG 3.25Å; V77-R81 WeakPolarHBondContact O-CG 3.47Å; V77-R81 PolarHBondContact O-N 3.42Å; E78-R81 PolarHBondContact O-N 2.85Å; I79-R81 VanDerWaalsContact C-N 3.27Å; I79-R81 PolarHBondContact O-N 2.78Å |
| 82 | L | 59.1 | Low | 50.7 | Low | 114 Ų | 114 | 112.3 Ų | 112.3 | 60% | 0.597 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.2 | -40.6 | -179.4 | -87.5 | 158 | 0 | 0 | 0 | 112.3 | F74 E78 I79 | F74-L82 HydrophobicContact CD1-CD1 3.81Å; F74-L82 HydrophobicContact CE1-CD1 3.84Å; F74-L82 HydrophobicContact CG-CD1 4.42Å; F74-L82 HydrophobicContact CZ-CD1 4.49Å; E78-L82 VanDerWaalsContact O-CB 3.32Å; E78-L82 WeakPolarHBondContact O-CB 3.32Å; E78-L82 WeakPolarHBondContact O-CD1 3.32Å; E78-L82 WeakPolarHBondContact O-CG 3.47Å; E78-L82 PolarHBondContact O-N 3.01Å; I79-L82 PolarHBondContact O-N 3.09Å; I79-L82 VanDerWaalsContact O-N 3.13Å |
| 83 | Y | 56.2 | Low | 51.2 | Low | 145 Ų | 145 | 106.6 Ų | 106.6 | 57% | 0.569 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | 5.2 | -176 | -72.2 | -85.8 | 0 | 0 | 0 | 113.5 | I79 V85 | I79-Y83 HydrophobicContact CG2-CD2 3.87Å; I79-Y83 HydrophobicContact CG2-CE2 4.26Å; I79-Y83 WeakPolarHBondContact O-CD2 3.37Å; I79-Y83 PolarHBondContact O-N 3.46Å; Y83-V85 PolarHBondContact O-N 2.66Å; Y83-V85 VanDerWaalsContact O-N 3.07Å |
| 84 | N | 46.9 | Very low | 51.6 | Low | 144 Ų | 144 | 104.7 Ų | 104.7 | 77% | 0.77 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.4 | 33.8 | -172.6 | -158.9 | 33.7 | 0 | 0 | 0 | 112.1 | T80 T86 | T80-N84 WeakPolarHBondContact O-CA 3.47Å; T80-N84 PolarHBondContact O-N 3.01Å; N84-T86 PolarHBondContact O-N 3.35Å |
| 85 | V | 46.7 | Very low | 51.7 | Low | 58 Ų | 58 | 105.6 Ų | 105.6 | 35% | 0.352 | 53% | 0.529 | S | S | . | . | trans | -75 | 126.2 | 174.8 | 176.1 | 0 | 0 | 0 | 0 | 105.1 | T80 Y83 T87 | T80-V85 WeakPolarHBondContact CG2-O 3.34Å; T80-V85 PolarHBondContact O-N 3.16Å; Y83-V85 PolarHBondContact O-N 2.66Å; Y83-V85 VanDerWaalsContact O-N 3.07Å; V85-T87 PolarHBondContact O-N 3.2Å | ||
| 86 | T | 41.3 | Very low | 51.5 | Low | 90 Ų | 90 | 107.8 Ų | 107.8 | 55% | 0.552 | 53% | 0.534 | S | S | * | . | trans | -88 | 108.3 | 171.8 | -52.9 | 0 | 0 | 0 | 0 | 106.6 | N84 F88 | N84-T86 PolarHBondContact O-N 3.35Å; T86-F88 HydrophobicContact CG2-CD1 4.29Å; T86-F88 HydrophobicContact CG2-CD2 3.96Å; T86-F88 HydrophobicContact CG2-CE1 3.81Å; T86-F88 HydrophobicContact CG2-CE2 3.44Å; T86-F88 VanDerWaalsContact CG2-CE2 3.44Å; T86-F88 HydrophobicContact CG2-CG 4.37Å; T86-F88 HydrophobicContact CG2-CZ 3.36Å; T86-F88 PolarHBondContact O-N 3.21Å | ||
| 87 | T | 40.9 | Very low | 51.4 | Low | 94 Ų | 94 | 106.3 Ų | 106.3 | 58% | 0.577 | 52% | 0.524 | S | S | * | . | trans | -78.4 | 113.5 | 167.6 | 43.3 | 0 | 0 | 0 | 0 | 107.9 | T80 V85 | T80-T87 HydrophobicContact CG2-CG2 3.86Å; T80-T87 WeakPolarHBondContact CG2-OG1 3.34Å; V85-T87 PolarHBondContact O-N 3.2Å | ||
| 88 | F | 40.7 | Very low | 51 | Low | 224 Ų | 224 | 108.4 Ų | 108.4 | 98% | 0.982 | 53% | 0.525 | S | S | * | . | trans | -93.5 | 0 | 170.2 | -66 | -81.8 | 0 | 0 | 0 | 110.5 | Q30 T86 | Q30-F88 PolarHBondContact NE2-O 3.23Å; T86-F88 HydrophobicContact CG2-CD1 4.29Å; T86-F88 HydrophobicContact CG2-CD2 3.96Å; T86-F88 HydrophobicContact CG2-CE1 3.81Å; T86-F88 HydrophobicContact CG2-CE2 3.44Å; T86-F88 VanDerWaalsContact CG2-CE2 3.44Å; T86-F88 HydrophobicContact CG2-CG 4.37Å; T86-F88 HydrophobicContact CG2-CZ 3.36Å; T86-F88 PolarHBondContact O-N 3.21Å |
Retrieved 88 of 88 residues in 33.6 ms
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