| 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 | 75.8 | Confident | 91.3 | Very high | 98 Ų | 98 | 52.3 Ų | 52.3 | 48% | 0.483 | 27% | 0.272 | S | S | . | . | 0 | 108.1 | 0 | -67.4 | -49.7 | -64.5 | 0 | 0 | 108.3 | I6 I62 I67 F90 | M1-I6 HydrophobicContact CE-CD1 3.44Å; M1-I6 VanDerWaalsContact CE-CD1 3.44Å; M1-I62 HydrophobicContact CE-CG1 3.64Å; M1-I67 HydrophobicContact SD-CD1 4.01Å; M1-F90 HydrophobicContact CE-CD1 4.5Å; M1-F90 HydrophobicContact CE-CE1 3.59Å; M1-F90 HydrophobicContact CE-CE2 4.49Å; M1-F90 HydrophobicContact CE-CZ 3.62Å | |||
| 2 | N | 86.3 | Confident | 91.4 | Very high | 104 Ų | 104 | 50.3 Ų | 50.3 | 56% | 0.556 | 27% | 0.266 | S | S | * | . | trans | -160.7 | 114.2 | 172.5 | 179.5 | -13.5 | 0 | 0 | 0 | 106.6 | H61 | N2-H61 PolarHBondContact O-CE1 3.43Š| ||
| 3 | H | 91.9 | Very high | 91.7 | Very high | 5 Ų | 5 | 53.2 Ų | 53.2 | 2% | 0.023 | 28% | 0.275 | C | S | . | . | trans | -159.8 | 140.8 | -175.5 | -180 | -98.9 | 0 | 0 | 0 | 107.7 | N5 I6 L57 H61 | H3-N5 PolarHBondContact ND1-N 3.47Å; H3-N5 PolarHBondContact O-N 2.87Å; H3-N5 VanDerWaalsContact O-N 3.12Å; H3-I6 HydrophobicContact CB-CB 4.15Å; H3-I6 HydrophobicContact CB-CD1 3.74Å; H3-I6 HydrophobicContact CB-CG1 3.93Å; H3-I6 PolarHBondContact O-N 3.14Å; H3-L57 VanDerWaalsContact CE1-C 3.42Å; H3-L57 PolarHBondContact CE1-O 2.9Å; H3-H61 HydrophobicContact CB-CB 4.3Å; H3-H61 AromaticContact CD2-ND1 3.83Å | ||
| 4 | P | 93.9 | Very high | 92 | Very high | 29 Ų | 29 | 59.1 Ų | 59.1 | 19% | 0.188 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -23.2 | -171.7 | 28.1 | -40.1 | 0 | 0 | 0 | 114.1 | K86 L209 E213 | P4-K86 WeakPolarHBondContact O-CE 3.03Å; P4-K86 PolarHBondContact O-NZ 3.37Å; P4-L209 HydrophobicContact CG-CD2 3.59Å; P4-E213 WeakPolarHBondContact CD-OE1 3.34Å; P4-E213 WeakPolarHBondContact CG-OE1 3.34Å |
| 5 | N | 95.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 23 | 173.7 | -60.8 | 115.4 | 0 | 0 | 0 | 114.1 | H3 Q54 A58 R84 L85 K86 L87 | H3-N5 PolarHBondContact ND1-N 3.47Å; H3-N5 PolarHBondContact O-N 2.87Å; H3-N5 VanDerWaalsContact O-N 3.12Å; N5-Q54 HydrophobicContact CB-CB 4.33Å; N5-Q54 WeakPolarHBondContact CB-O 3.41Å; N5-Q54 WeakPolarHBondContact ND2-CB 3.34Å; N5-Q54 WeakPolarHBondContact ND2-CG 3.43Å; N5-Q54 PolarHBondContact ND2-OE1 2.94Å; N5-A58 HydrophobicContact CB-CB 4.21Å; N5-A58 VanDerWaalsContact O-CB 3.26Å; N5-A58 WeakPolarHBondContact O-CB 3.43Å; N5-R84 VanDerWaalsContact CG-NH2 3.3Å; N5-R84 PolarHBondContact ND2-NH2 3.03Å; N5-R84 PolarHBondContact OD1-NH2 3.09Å; N5-L85 WeakPolarHBondContact CA-O 3.32Å; N5-L85 WeakPolarHBondContact CB-O 3.49Å; N5-L85 PolarHBondContact ND2-O 3.49Å; N5-K86 WeakPolarHBondContact O-CA 3.32Å; N5-L87 PolarHBondContact O-N 3.38Å |
| 6 | I | 95.1 | Very high | 92.2 | Very high | 4 Ų | 4 | 65.4 Ų | 65.4 | 2% | 0.021 | 34% | 0.343 | C | S | . | . | B | Isolated β-bridge | trans | -120.2 | 145 | 171.8 | -67.5 | -179.1 | 0 | 0 | 0 | 108.2 | M1 H3 Q8 A58 H61 I62 K86 L87 F90 | M1-I6 HydrophobicContact CE-CD1 3.44Å; M1-I6 VanDerWaalsContact CE-CD1 3.44Å; H3-I6 HydrophobicContact CB-CB 4.15Å; H3-I6 HydrophobicContact CB-CD1 3.74Å; H3-I6 HydrophobicContact CB-CG1 3.93Å; H3-I6 PolarHBondContact O-N 3.14Å; I6-Q8 PolarHBondContact O-N 3.49Å; I6-A58 HydrophobicContact CD1-CB 4.28Å; I6-A58 HydrophobicContact CG1-CB 3.71Å; I6-H61 HydrophobicContact CD1-CB 4.36Å; I6-I62 HydrophobicContact CD1-CD1 4.21Å; I6-I62 HydrophobicContact CD1-CG1 4.12Å; I6-K86 PolarHBondContact O-NZ 3.44Å; I6-L87 WeakPolarHBondContact CA-O 3.45Å; I6-F90 HydrophobicContact CD1-CZ 4.08Å; I6-F90 HydrophobicContact CG1-CZ 4.39Å; I6-F90 HydrophobicContact CG2-CE2 3.41Å; I6-F90 VanDerWaalsContact CG2-CE2 3.41Å; I6-F90 HydrophobicContact CG2-CZ 3.46Å; I6-F90 VanDerWaalsContact CG2-CZ 3.46Å |
| 7 | V | 95 | Very high | 92.1 | Very high | 14 Ų | 14 | 66.6 Ų | 66.6 | 9% | 0.085 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 124 | 173.9 | 177.4 | 0 | 0 | 0 | 0 | 108.8 | Y9 M23 E24 F78 K86 L87 | V7-Y9 PolarHBondContact O-N 3.34Å; V7-M23 HydrophobicContact CG1-CB 4.09Å; V7-M23 HydrophobicContact CG1-CG 4.28Å; V7-M23 HydrophobicContact CG1-SD 3.93Å; V7-E24 HydrophobicContact CG1-CB 4.27Å; V7-E24 WeakPolarHBondContact CG1-O 3.41Å; V7-F78 HydrophobicContact CG2-CD2 3.78Å; V7-F78 HydrophobicContact CG2-CE2 4.48Å; V7-K86 HydrophobicContact CG2-CB 3.79Å; V7-L87 PolarHBondContact N-O 2.96Å |
| 8 | Q | 92.8 | Very high | 92.2 | Very high | 64 Ų | 64 | 72.9 Ų | 72.9 | 30% | 0.299 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -74.5 | 123.9 | -174.8 | -177.5 | 55.8 | 52.1 | 0 | 0 | 110.9 | I6 M23 E24 | I6-Q8 PolarHBondContact O-N 3.49Å; Q8-M23 CarbonylContact O-C 3.56Å; Q8-M23 WeakPolarHBondContact O-CA 3.32Å; Q8-E24 HydrophobicContact CB-CB 3.99Å; Q8-E24 WeakPolarHBondContact CB-OE2 3.24Å; Q8-E24 PolarHBondContact N-OE2 3.48Å; Q8-E24 PolarHBondContact O-N 3.3Å |
| 9 | Y | 91.9 | Very high | 92.1 | Very high | 99 Ų | 99 | 74.4 Ų | 74.4 | 39% | 0.388 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 131.4 | 164.6 | 166.4 | -79.5 | 0 | 0 | 0 | 109.4 | V7 D11 S12 I21 K562 | V7-Y9 PolarHBondContact O-N 3.34Å; Y9-D11 VanDerWaalsContact CZ-C 3.43Å; Y9-D11 VanDerWaalsContact CZ-CA 3.47Å; Y9-D11 VanDerWaalsContact OH-C 3.24Å; Y9-D11 WeakPolarHBondContact OH-CA 3.47Å; Y9-D11 PolarHBondContact OH-OD1 3.27Å; Y9-S12 WeakPolarHBondContact OH-CB 3.46Å; Y9-S12 PolarHBondContact OH-N 3.13Å; Y9-S12 VanDerWaalsContact OH-N 3.09Å; Y9-S12 PolarHBondContact OH-OG 3.03Å; Y9-S12 VanDerWaalsContact OH-OG 3.13Å; Y9-I21 HydrophobicContact CD2-CG2 4Å; Y9-I21 HydrophobicContact CE2-CG2 4.25Å; Y9-K562 PolarHBondContact OH-NZ 3.29Å |
| 10 | C | 91.9 | Very high | 92.2 | Very high | 73 Ų | 73 | 75.7 Ų | 75.7 | 49% | 0.493 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | -61.3 | 176.9 | -62.5 | 0 | 0 | 0 | 0 | 110.8 | I22 | C10-I22 WeakPolarHBondContact CA-O 3.41Å; C10-I22 HydrophobicContact CB-CB 4.15Å; C10-I22 HydrophobicContact CB-CG2 3.87Å; C10-I22 WeakPolarHBondContact CB-O 3.45Å; C10-I22 PolarHBondContact N-O 2.89Å |
| 11 | D | 93.5 | Very high | 92.2 | Very high | 85 Ų | 85 | 76.1 Ų | 76.1 | 46% | 0.455 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | -180 | 173.8 | -155.5 | 4.7 | 0 | 0 | 0 | 112.7 | Y9 I22 | Y9-D11 VanDerWaalsContact CZ-C 3.43Å; Y9-D11 VanDerWaalsContact CZ-CA 3.47Å; Y9-D11 VanDerWaalsContact OH-C 3.24Å; Y9-D11 WeakPolarHBondContact OH-CA 3.47Å; Y9-D11 PolarHBondContact OH-OD1 3.27Å; D11-I22 HydrophobicContact CB-CD1 4.49Å; D11-I22 PolarHBondContact N-O 2.85Å; D11-I22 PolarHBondContact O-N 3.37Å |
| 12 | S | 93.1 | Very high | 93 | Very high | 28 Ų | 28 | 75.3 Ų | 75.3 | 20% | 0.196 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 135.6 | 178.1 | 69.5 | 0 | 0 | 0 | 0 | 111.7 | Y9 Y20 K562 | Y9-S12 WeakPolarHBondContact OH-CB 3.46Å; Y9-S12 PolarHBondContact OH-N 3.13Å; Y9-S12 VanDerWaalsContact OH-N 3.09Å; Y9-S12 PolarHBondContact OH-OG 3.03Å; Y9-S12 VanDerWaalsContact OH-OG 3.13Å; S12-Y20 CarbonylContact C-O 3.39Å; S12-Y20 WeakPolarHBondContact CA-O 3.37Å; S12-K562 PolarHBondContact OG-NZ 3.36Å |
| 13 | F | 95.4 | Very high | 93.4 | Very high | 88 Ų | 88 | 74.4 Ų | 74.4 | 39% | 0.386 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 149.4 | 173.9 | 61.9 | -83 | 0 | 0 | 0 | 112.1 | E15 Y20 I22 | F13-E15 HydrophobicContact CD2-CB 4.14Å; F13-E15 HydrophobicContact CE2-CB 4.33Å; F13-Y20 AromaticContact CD2-CD2 3.77Å; F13-Y20 HydrophobicContact CD2-CD2 3.77Å; F13-Y20 HydrophobicContact CD2-CG 4.21Å; F13-Y20 HydrophobicContact CE1-CG 4.24Å; F13-Y20 HydrophobicContact CE2-CD1 4.49Å; F13-Y20 AromaticContact CE2-CD2 3.4Å; F13-Y20 HydrophobicContact CE2-CD2 3.4Å; F13-Y20 VanDerWaalsContact CE2-CD2 3.4Å; F13-Y20 HydrophobicContact CE2-CE2 4.14Å; F13-Y20 AromaticContact CE2-CG 3.62Å; F13-Y20 HydrophobicContact CE2-CG 3.62Å; F13-Y20 VanDerWaalsContact CZ-CB 3.45Å; F13-Y20 HydrophobicContact CZ-CD1 4.29Å; F13-Y20 AromaticContact CZ-CD2 3.95Å; F13-Y20 HydrophobicContact CZ-CD2 3.95Å; F13-Y20 AromaticContact CZ-CG 3.63Å; F13-Y20 HydrophobicContact CZ-CG 3.63Å; F13-Y20 PolarHBondContact N-O 3.47Å; F13-Y20 PolarHBondContact O-N 3.38Å; F13-I22 HydrophobicContact CD1-CD1 4.2Å; F13-I22 HydrophobicContact CD1-CG1 4.35Å; F13-I22 HydrophobicContact CE1-CD1 3.95Å; F13-I22 HydrophobicContact CE1-CG1 4Å |
| 14 | E | 96.3 | Very high | 93.4 | Very high | 137 Ų | 137 | 77 Ų | 77 | 64% | 0.64 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 116.5 | 175.6 | -69.6 | 172.5 | -149.9 | 0 | 0 | 107.8 | W18 L19 K565 | E14-W18 CarbonylContact C-O 3.6Å; E14-W18 WeakPolarHBondContact CA-O 3.23Å; E14-L19 HydrophobicContact CG-CD1 3.97Å; E14-K565 IonicContact OE1-NZ 3.83Å; E14-K565 PolarHBondContact OE1-NZ 2.94Å; E14-K565 IonicContact OE2-NZ 3.73Å; E14-K565 PolarHBondContact OE2-NZ 3.02Å |
| 15 | E | 93.1 | Very high | 93.5 | Very high | 110 Ų | 110 | 84.9 Ų | 84.9 | 51% | 0.514 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 136.8 | 178.7 | 177.8 | 169.4 | -152.1 | 0 | 0 | 110.7 | F13 G17 W18 Y20 | F13-E15 HydrophobicContact CD2-CB 4.14Å; F13-E15 HydrophobicContact CE2-CB 4.33Å; E15-G17 PolarHBondContact O-N 3.31Å; E15-W18 PolarHBondContact N-O 3.22Å; E15-W18 PolarHBondContact O-N 2.79Å; E15-Y20 HydrophobicContact CB-CD2 4.33Å; E15-Y20 HydrophobicContact CB-CE2 3.97Å |
| 16 | S | 93 | Very high | 93.5 | Very high | 109 Ų | 109 | 85.2 Ų | 85.2 | 76% | 0.762 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 27.3 | 179 | -58.5 | 0 | 0 | 0 | 0 | 115.5 | ||
| 17 | G | 91.2 | Very high | 93.5 | Very high | 85 Ų | 85 | 88.2 Ų | 88.2 | 88% | 0.876 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.5 | -5.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | E15 | E15-G17 PolarHBondContact O-N 3.31Š|
| 18 | W | 93.7 | Very high | 93.6 | Very high | 180 Ų | 180 | 93.2 Ų | 93.2 | 68% | 0.682 | 47% | 0.471 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 144.2 | 179.4 | -60.1 | 89.9 | 0 | 0 | 0 | 111.5 | E14 E15 Y20 | E14-W18 CarbonylContact C-O 3.6Å; E14-W18 WeakPolarHBondContact CA-O 3.23Å; E15-W18 PolarHBondContact N-O 3.22Å; E15-W18 PolarHBondContact O-N 2.79Å; W18-Y20 HydrophobicContact CB-CD2 4.38Å; W18-Y20 HydrophobicContact CB-CE2 3.63Å |
| 19 | L | 91 | Very high | 93.8 | Very high | 101 Ų | 101 | 91.2 Ų | 91.2 | 53% | 0.529 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 115.4 | 171 | 174.3 | 62.4 | 0 | 0 | 0 | 109.4 | E14 I21 | E14-L19 HydrophobicContact CG-CD1 3.97Å; L19-I21 HydrophobicContact CD2-CD1 4.49Å; L19-I21 HydrophobicContact CG-CG1 4.28Å |
| 20 | Y | 93.4 | Very high | 94 | Very high | 100 Ų | 100 | 87.9 Ų | 87.9 | 39% | 0.392 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 134 | 174.1 | -60.3 | -88.3 | 0 | 0 | 0 | 109.6 | S12 F13 E15 W18 | S12-Y20 CarbonylContact C-O 3.39Å; S12-Y20 WeakPolarHBondContact CA-O 3.37Å; F13-Y20 AromaticContact CD2-CD2 3.77Å; F13-Y20 HydrophobicContact CD2-CD2 3.77Å; F13-Y20 HydrophobicContact CD2-CG 4.21Å; F13-Y20 HydrophobicContact CE1-CG 4.24Å; F13-Y20 HydrophobicContact CE2-CD1 4.49Å; F13-Y20 AromaticContact CE2-CD2 3.4Å; F13-Y20 HydrophobicContact CE2-CD2 3.4Å; F13-Y20 VanDerWaalsContact CE2-CD2 3.4Å; F13-Y20 HydrophobicContact CE2-CE2 4.14Å; F13-Y20 AromaticContact CE2-CG 3.62Å; F13-Y20 HydrophobicContact CE2-CG 3.62Å; F13-Y20 VanDerWaalsContact CZ-CB 3.45Å; F13-Y20 HydrophobicContact CZ-CD1 4.29Å; F13-Y20 AromaticContact CZ-CD2 3.95Å; F13-Y20 HydrophobicContact CZ-CD2 3.95Å; F13-Y20 AromaticContact CZ-CG 3.63Å; F13-Y20 HydrophobicContact CZ-CG 3.63Å; F13-Y20 PolarHBondContact N-O 3.47Å; F13-Y20 PolarHBondContact O-N 3.38Å; E15-Y20 HydrophobicContact CB-CD2 4.33Å; E15-Y20 HydrophobicContact CB-CE2 3.97Å; W18-Y20 HydrophobicContact CB-CD2 4.38Å; W18-Y20 HydrophobicContact CB-CE2 3.63Å |
| 21 | I | 91.5 | Very high | 94.3 | Very high | 85 Ų | 85 | 84.4 Ų | 84.4 | 44% | 0.436 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 114.3 | 176.9 | -58.7 | 177.3 | 0 | 0 | 0 | 107.8 | Y9 L19 M23 | Y9-I21 HydrophobicContact CD2-CG2 4Å; Y9-I21 HydrophobicContact CE2-CG2 4.25Å; L19-I21 HydrophobicContact CD2-CD1 4.49Å; L19-I21 HydrophobicContact CG-CG1 4.28Å; I21-M23 HydrophobicContact CG2-CE 4.48Å |
| 22 | I | 94 | Very high | 94.4 | Very high | 82 Ų | 82 | 83.6 Ų | 83.6 | 42% | 0.421 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 129 | 175.1 | -49 | 179.3 | 0 | 0 | 0 | 107.7 | C10 D11 F13 | C10-I22 WeakPolarHBondContact CA-O 3.41Å; C10-I22 HydrophobicContact CB-CB 4.15Å; C10-I22 HydrophobicContact CB-CG2 3.87Å; C10-I22 WeakPolarHBondContact CB-O 3.45Å; C10-I22 PolarHBondContact N-O 2.89Å; D11-I22 HydrophobicContact CB-CD1 4.49Å; D11-I22 PolarHBondContact N-O 2.85Å; D11-I22 PolarHBondContact O-N 3.37Å; F13-I22 HydrophobicContact CD1-CD1 4.2Å; F13-I22 HydrophobicContact CD1-CG1 4.35Å; F13-I22 HydrophobicContact CE1-CD1 3.95Å; F13-I22 HydrophobicContact CE1-CG1 4Å |
| 23 | M | 93.4 | Very high | 94.6 | Very high | 84 Ų | 84 | 84.5 Ų | 84.5 | 41% | 0.414 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 166.7 | 179.7 | 64.1 | 175 | 75.5 | 0 | 0 | 111.9 | V7 Q8 I21 Y25 | V7-M23 HydrophobicContact CG1-CB 4.09Å; V7-M23 HydrophobicContact CG1-CG 4.28Å; V7-M23 HydrophobicContact CG1-SD 3.93Å; Q8-M23 CarbonylContact O-C 3.56Å; Q8-M23 WeakPolarHBondContact O-CA 3.32Å; I21-M23 HydrophobicContact CG2-CE 4.48Å; M23-Y25 PolarHBondContact O-N 2.69Å |
| 24 | E | 93.3 | Very high | 94.6 | Very high | 61 Ų | 61 | 83.8 Ų | 83.8 | 29% | 0.285 | 43% | 0.426 | S | S | . | . | trans | -62.5 | 122.5 | 174.4 | 175.2 | -173.7 | -166.3 | 0 | 0 | 111.9 | V7 Q8 K86 | V7-E24 HydrophobicContact CG1-CB 4.27Å; V7-E24 WeakPolarHBondContact CG1-O 3.41Å; Q8-E24 HydrophobicContact CB-CB 3.99Å; Q8-E24 WeakPolarHBondContact CB-OE2 3.24Å; Q8-E24 PolarHBondContact N-OE2 3.48Å; Q8-E24 PolarHBondContact O-N 3.3Å; E24-K86 VanDerWaalsContact CD-NZ 3.32Å; E24-K86 WeakPolarHBondContact OE1-CE 3.32Å; E24-K86 IonicContact OE1-NZ 3.28Å; E24-K86 PolarHBondContact OE1-NZ 3.38Å; E24-K86 WeakPolarHBondContact OE2-CE 3.31Å; E24-K86 IonicContact OE2-NZ 2.89Å; E24-K86 PolarHBondContact OE2-NZ 3.08Å | ||
| 25 | Y | 94.9 | Very high | 94.7 | Very high | 193 Ų | 193 | 77.5 Ų | 77.5 | 76% | 0.757 | 40% | 0.396 | S | S | * | . | trans | -74.6 | 125.4 | 172.9 | 177.7 | -112.1 | 0 | 0 | 0 | 111.2 | M23 D27 | M23-Y25 PolarHBondContact O-N 2.69Å; Y25-D27 HydrophobicContact CD1-CB 4.2Å; Y25-D27 HydrophobicContact CE1-CB 3.89Å | ||
| 26 | C | 96.2 | Very high | 94.8 | Very high | 8 Ų | 8 | 76 Ų | 76 | 5% | 0.054 | 39% | 0.391 | C | S | . | . | trans | -96.5 | 105.8 | 177.5 | -69 | 0 | 0 | 0 | 0 | 110.3 | Q28 G29 F78 L79 T80 | C26-Q28 VanDerWaalsContact C-N 3.29Å; C26-Q28 PolarHBondContact O-N 3.02Å; C26-G29 PolarHBondContact O-N 2.83Å; C26-F78 HydrophobicContact CB-CB 3.52Å; C26-F78 HydrophobicContact CB-CG 4.31Å; C26-L79 CarbonylContact C-O 3.51Å; C26-L79 WeakPolarHBondContact CB-O 3.25Å; C26-T80 HydrophobicContact CB-CG2 4.28Å | ||
| 27 | D | 95.7 | Very high | 94.9 | Very high | 67 Ų | 67 | 77.4 Ų | 77.4 | 36% | 0.358 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 6.8 | -161.1 | 66 | -35.5 | 0 | 0 | 0 | 116.1 | Y25 T80 S81 | Y25-D27 HydrophobicContact CD1-CB 4.2Å; Y25-D27 HydrophobicContact CE1-CB 3.89Å; D27-T80 VanDerWaalsContact OD1-CA 3.22Å; D27-T80 WeakPolarHBondContact OD1-CA 3.43Å; D27-S81 PolarHBondContact OD1-N 3.31Å; D27-S81 PolarHBondContact OD1-OG 3.07Å; D27-S81 WeakPolarHBondContact OD2-CB 3.48Å; D27-S81 PolarHBondContact OD2-OG 3.07Å |
| 28 | Q | 96.6 | Very high | 95 | Very high | 118 Ų | 118 | 75.2 Ų | 75.2 | 55% | 0.551 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.6 | 5.8 | 169.1 | -62.6 | -68 | -81.5 | 0 | 0 | 113.1 | C26 L79 | C26-Q28 VanDerWaalsContact C-N 3.29Å; C26-Q28 PolarHBondContact O-N 3.02Å; Q28-L79 HydrophobicContact CB-CB 3.76Å; Q28-L79 WeakPolarHBondContact CB-O 3.42Å; Q28-L79 PolarHBondContact N-O 3.29Å |
| 29 | G | 96.1 | Very high | 94.9 | Very high | 23 Ų | 23 | 73.5 Ų | 73.5 | 24% | 0.237 | 36% | 0.355 | C | S | . | . | trans | 74 | -157.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | C26 F78 L79 | C26-G29 PolarHBondContact O-N 2.83Å; G29-F78 CarbonylContact O-C 3.56Å; G29-F78 WeakPolarHBondContact O-CA 3.46Å; G29-L79 PolarHBondContact O-N 2.9Å | ||
| 30 | D | 97.1 | Very high | 95 | Very high | 29 Ų | 29 | 71.5 Ų | 71.5 | 16% | 0.155 | 36% | 0.359 | C | S | . | . | B | Isolated β-bridge | trans | -96.4 | 166 | -173.9 | 63.9 | 95.2 | 0 | 0 | 0 | 113.8 | Y32 T33 K34 Q75 V77 F78 | D30-Y32 WeakPolarHBondContact OD1-CA 3.2Å; D30-Y32 VanDerWaalsContact OD1-CB 3.26Å; D30-Y32 WeakPolarHBondContact OD1-CB 3.24Å; D30-Y32 PolarHBondContact OD1-N 3.09Å; D30-Y32 VanDerWaalsContact OD1-N 3.13Å; D30-T33 VanDerWaalsContact CG-OG1 3.31Å; D30-T33 WeakPolarHBondContact OD1-CB 3.43Å; D30-T33 PolarHBondContact OD1-N 3.19Å; D30-T33 PolarHBondContact OD1-OG1 2.68Å; D30-T33 VanDerWaalsContact OD2-CB 3.23Å; D30-T33 WeakPolarHBondContact OD2-CB 3.49Å; D30-T33 PolarHBondContact OD2-OG1 2.91Å; D30-K34 PolarHBondContact O-N 3.04Å; D30-K34 VanDerWaalsContact O-N 3.09Å; D30-Q75 WeakPolarHBondContact CB-O 3.34Å; D30-V77 CarbonylContact C-O 3.58Å; D30-V77 WeakPolarHBondContact CA-O 3.15Å; D30-F78 HydrophobicContact CB-CD1 4.05Å; D30-F78 HydrophobicContact CB-CE1 4.11Å |
| 31 | L | 97.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -74.5 | -27 | -177.7 | 179.9 | 60.1 | 0 | 0 | 0 | 112.3 | K34 I35 Y51 I55 T74 V77 V135 M139 | L31-K34 HydrophobicContact CD1-CB 4.33Å; L31-K34 HydrophobicContact CD1-CG 4.43Å; L31-K34 WeakPolarHBondContact O-CB 3.34Å; L31-K34 PolarHBondContact O-N 3.25Å; L31-I35 HydrophobicContact CD1-CD1 4.24Å; L31-I35 HydrophobicContact CD1-CG1 4.29Å; L31-I35 HydrophobicContact CG-CD1 3.96Å; L31-I35 HydrophobicContact CG-CG1 4.48Å; L31-I35 WeakPolarHBondContact O-CB 3.34Å; L31-I35 VanDerWaalsContact O-CG1 3.27Å; L31-I35 WeakPolarHBondContact O-CG1 3.4Å; L31-I35 PolarHBondContact O-N 3.44Å; L31-Y51 HydrophobicContact CD1-CD2 3.94Å; L31-Y51 HydrophobicContact CD1-CE2 4.1Å; L31-I55 HydrophobicContact CD2-CD1 4.43Å; L31-T74 WeakPolarHBondContact CB-O 3.27Å; L31-T74 HydrophobicContact CD2-CG2 4.03Å; L31-T74 HydrophobicContact CG-CG2 4.05Å; L31-T74 PolarHBondContact N-O 3.28Å; L31-T74 VanDerWaalsContact N-O 3.12Å; L31-V77 HydrophobicContact CB-CB 4Å; L31-V77 HydrophobicContact CB-CG1 3.97Å; L31-V77 VanDerWaalsContact CB-O 3.28Å; L31-V77 WeakPolarHBondContact CB-O 3.31Å; L31-V77 HydrophobicContact CD2-CB 4.14Å; L31-V77 HydrophobicContact CD2-CG1 3.69Å; L31-V77 HydrophobicContact CG-CG1 4.48Å; L31-V77 PolarHBondContact N-O 3.09Å; L31-V135 HydrophobicContact CD2-CG1 3.98Å; L31-M139 HydrophobicContact CD1-CG 4.26Å; L31-M139 HydrophobicContact CD1-SD 4.26Å; L31-M139 HydrophobicContact CD2-CG 4.07Å; L31-M139 HydrophobicContact CD2-SD 3.85Å; L31-M139 HydrophobicContact CG-CG 4.47Å |
| 32 | Y | 96.5 | Very high | 95.3 | Very high | 68 Ų | 68 | 70.5 Ų | 70.5 | 27% | 0.267 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.5 | -50.5 | 174.5 | 176 | -106.9 | 0 | 0 | 0 | 110.2 | D30 K34 I35 N36 T74 Q75 | D30-Y32 WeakPolarHBondContact OD1-CA 3.2Å; D30-Y32 VanDerWaalsContact OD1-CB 3.26Å; D30-Y32 WeakPolarHBondContact OD1-CB 3.24Å; D30-Y32 PolarHBondContact OD1-N 3.09Å; D30-Y32 VanDerWaalsContact OD1-N 3.13Å; Y32-K34 VanDerWaalsContact C-N 3.25Å; Y32-K34 PolarHBondContact O-N 2.59Å; Y32-I35 PolarHBondContact O-N 2.86Å; Y32-I35 VanDerWaalsContact O-N 3.12Å; Y32-N36 WeakPolarHBondContact CE1-ND2 3.39Å; Y32-N36 PolarHBondContact O-N 3.23Å; Y32-N36 PolarHBondContact OH-ND2 3.34Å; Y32-T74 PolarHBondContact N-O 3.45Å; Y32-Q75 HydrophobicContact CD1-CG 4.25Å; Y32-Q75 HydrophobicContact CG-CG 4.16Å |
| 33 | T | 96.5 | Very high | 95.5 | Very high | 47 Ų | 47 | 66.6 Ų | 66.6 | 29% | 0.288 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -54.9 | -38.2 | 169.4 | -68 | 0 | 0 | 0 | 0 | 112.3 | D30 K37 | D30-T33 VanDerWaalsContact CG-OG1 3.31Å; D30-T33 WeakPolarHBondContact OD1-CB 3.43Å; D30-T33 PolarHBondContact OD1-N 3.19Å; D30-T33 PolarHBondContact OD1-OG1 2.68Å; D30-T33 VanDerWaalsContact OD2-CB 3.23Å; D30-T33 WeakPolarHBondContact OD2-CB 3.49Å; D30-T33 PolarHBondContact OD2-OG1 2.91Å; T33-K37 HydrophobicContact CG2-CD 3.99Å; T33-K37 VanDerWaalsContact CG2-CE 3.46Å; T33-K37 WeakPolarHBondContact O-CB 3.33Å; T33-K37 WeakPolarHBondContact O-CD 3.04Å; T33-K37 WeakPolarHBondContact O-CG 3.49Å; T33-K37 PolarHBondContact O-N 3.38Å; T33-K37 VanDerWaalsContact O-N 3.17Å |
| 34 | K | 96.5 | Very high | 95.7 | Very high | 73 Ų | 73 | 66.5 Ų | 66.5 | 32% | 0.317 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -69.1 | -38.7 | 177 | 179.4 | 62.3 | 178.7 | -179.2 | 0 | 112.9 | D30 L31 Y32 Q38 L79 | D30-K34 PolarHBondContact O-N 3.04Å; D30-K34 VanDerWaalsContact O-N 3.09Å; L31-K34 HydrophobicContact CD1-CB 4.33Å; L31-K34 HydrophobicContact CD1-CG 4.43Å; L31-K34 WeakPolarHBondContact O-CB 3.34Å; L31-K34 PolarHBondContact O-N 3.25Å; Y32-K34 VanDerWaalsContact C-N 3.25Å; Y32-K34 PolarHBondContact O-N 2.59Å; K34-Q38 PolarHBondContact O-NE2 3.01Å; K34-L79 HydrophobicContact CB-CD1 3.83Å; K34-L79 HydrophobicContact CD-CD1 4.26Å; K34-L79 HydrophobicContact CG-CD1 3.77Å |
| 35 | I | 96.9 | Very high | 95.9 | Very high | 4 Ų | 4 | 66.1 Ų | 66.1 | 2% | 0.021 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -67.6 | -49.3 | 177 | -77.8 | 166.6 | 0 | 0 | 0 | 110.3 | L31 Y32 K37 Q38 M43 T74 E138 M139 L142 | L31-I35 HydrophobicContact CD1-CD1 4.24Å; L31-I35 HydrophobicContact CD1-CG1 4.29Å; L31-I35 HydrophobicContact CG-CD1 3.96Å; L31-I35 HydrophobicContact CG-CG1 4.48Å; L31-I35 WeakPolarHBondContact O-CB 3.34Å; L31-I35 VanDerWaalsContact O-CG1 3.27Å; L31-I35 WeakPolarHBondContact O-CG1 3.4Å; L31-I35 PolarHBondContact O-N 3.44Å; Y32-I35 PolarHBondContact O-N 2.86Å; Y32-I35 VanDerWaalsContact O-N 3.12Å; I35-K37 VanDerWaalsContact C-N 3.28Å; I35-K37 PolarHBondContact O-N 3.49Å; I35-Q38 VanDerWaalsContact O-CB 3.22Å; I35-Q38 WeakPolarHBondContact O-CB 3.36Å; I35-Q38 VanDerWaalsContact O-CG 3.31Å; I35-Q38 WeakPolarHBondContact O-CG 3.47Å; I35-Q38 PolarHBondContact O-N 2.84Å; I35-M43 HydrophobicContact CG1-SD 4.21Å; I35-T74 HydrophobicContact CD1-CG2 3.81Å; I35-E138 HydrophobicContact CD1-CB 4.03Å; I35-M139 HydrophobicContact CD1-CG 4Å; I35-L142 HydrophobicContact CB-CD2 4.48Å; I35-L142 HydrophobicContact CG2-CB 4.19Å; I35-L142 HydrophobicContact CG2-CD2 3.84Å |
| 36 | N | 95.2 | Very high | 96 | Very high | 78 Ų | 78 | 59.6 Ų | 59.6 | 42% | 0.417 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.5 | -36.2 | -179.5 | -67.3 | 2.4 | 0 | 0 | 0 | 111.6 | Y32 Q38 N39 | Y32-N36 WeakPolarHBondContact CE1-ND2 3.39Å; Y32-N36 PolarHBondContact O-N 3.23Å; Y32-N36 PolarHBondContact OH-ND2 3.34Å; N36-Q38 PolarHBondContact O-N 2.76Å; N36-N39 PolarHBondContact O-N 2.96Å; N36-N39 VanDerWaalsContact O-N 3.15Å; N36-N39 PolarHBondContact O-OD1 2.82Å |
| 37 | K | 95.4 | Very high | 96 | Very high | 140 Ų | 140 | 61.9 Ų | 61.9 | 61% | 0.609 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -1.7 | 171.5 | -75.4 | 170.7 | -177.1 | 169.4 | 0 | 115.1 | T33 I35 | T33-K37 HydrophobicContact CG2-CD 3.99Å; T33-K37 VanDerWaalsContact CG2-CE 3.46Å; T33-K37 WeakPolarHBondContact O-CB 3.33Å; T33-K37 WeakPolarHBondContact O-CD 3.04Å; T33-K37 WeakPolarHBondContact O-CG 3.49Å; T33-K37 PolarHBondContact O-N 3.38Å; T33-K37 VanDerWaalsContact O-N 3.17Å; I35-K37 VanDerWaalsContact C-N 3.28Å; I35-K37 PolarHBondContact O-N 3.49Å |
| 38 | Q | 93.7 | Very high | 96.1 | Very high | 39 Ų | 39 | 58.7 Ų | 58.7 | 18% | 0.182 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -14.5 | 170.6 | -58.3 | -47.8 | -83.2 | 0 | 0 | 113 | K34 I35 N36 G40 V41 M43 L142 | K34-Q38 PolarHBondContact O-NE2 3.01Å; I35-Q38 VanDerWaalsContact O-CB 3.22Å; I35-Q38 WeakPolarHBondContact O-CB 3.36Å; I35-Q38 VanDerWaalsContact O-CG 3.31Å; I35-Q38 WeakPolarHBondContact O-CG 3.47Å; I35-Q38 PolarHBondContact O-N 2.84Å; N36-Q38 PolarHBondContact O-N 2.76Å; Q38-G40 VanDerWaalsContact C-N 3.28Å; Q38-G40 PolarHBondContact O-N 3.33Å; Q38-V41 WeakPolarHBondContact O-CB 3.22Å; Q38-V41 PolarHBondContact O-N 3.29Å; Q38-M43 HydrophobicContact CG-CG 3.8Å; Q38-M43 HydrophobicContact CG-SD 4.38Å; Q38-L142 HydrophobicContact CB-CD1 3.76Å; Q38-L142 HydrophobicContact CB-CD2 4.03Å; Q38-L142 HydrophobicContact CG-CD2 3.89Å |
| 39 | N | 91.8 | Very high | 96.2 | Very high | 143 Ų | 143 | 53.2 Ų | 53.2 | 77% | 0.765 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 44.9 | 178.5 | -58.1 | -12.3 | 0 | 0 | 0 | 113.3 | N36 V41 | N36-N39 PolarHBondContact O-N 2.96Å; N36-N39 VanDerWaalsContact O-N 3.15Å; N36-N39 PolarHBondContact O-OD1 2.82Å; N39-V41 VanDerWaalsContact C-N 3.31Å; N39-V41 PolarHBondContact O-N 3.1Å |
| 40 | G | 92 | Very high | 96.2 | Very high | 59 Ų | 59 | 53 Ų | 53 | 61% | 0.608 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.9 | -11.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q38 L42 L142 | Q38-G40 VanDerWaalsContact C-N 3.28Å; Q38-G40 PolarHBondContact O-N 3.33Å; G40-L42 PolarHBondContact O-N 3.07Å; G40-L142 VanDerWaalsContact C-CD1 3.46Å |
| 41 | V | 96.1 | Very high | 96.3 | Very high | 106 Ų | 106 | 52.9 Ų | 52.9 | 64% | 0.642 | 29% | 0.291 | S | S | * | . | trans | -76.1 | 93.2 | 179.6 | -176 | 0 | 0 | 0 | 0 | 110.6 | Q38 N39 M43 | Q38-V41 WeakPolarHBondContact O-CB 3.22Å; Q38-V41 PolarHBondContact O-N 3.29Å; N39-V41 VanDerWaalsContact C-N 3.31Å; N39-V41 PolarHBondContact O-N 3.1Å; V41-M43 PolarHBondContact O-N 3.04Å | ||
| 42 | L | 96.8 | Very high | 96.3 | Very high | 59 Ų | 59 | 52.9 Ų | 52.9 | 31% | 0.309 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -50.2 | 124.9 | -176.8 | -60.7 | -176.3 | 0 | 0 | 0 | 113 | G40 L142 K169 | G40-L42 PolarHBondContact O-N 3.07Å; L42-L142 HydrophobicContact CD2-CD1 4.02Å; L42-L142 HydrophobicContact CD2-CG 3.91Å; L42-K169 VanDerWaalsContact CB-NZ 3.28Å; L42-K169 HydrophobicContact CD1-CD 4.36Å; L42-K169 PolarHBondContact O-NZ 3.05Å |
| 43 | M | 97.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -57 | 152.5 | -170.6 | -69 | 173 | 63.1 | 0 | 0 | 114.4 | I35 Q38 V41 L47 I48 Y51 L142 K169 Y170 | I35-M43 HydrophobicContact CG1-SD 4.21Å; Q38-M43 HydrophobicContact CG-CG 3.8Å; Q38-M43 HydrophobicContact CG-SD 4.38Å; V41-M43 PolarHBondContact O-N 3.04Å; M43-L47 HydrophobicContact CE-CD2 3.79Å; M43-L47 HydrophobicContact CE-CG 4.02Å; M43-I48 HydrophobicContact CB-CD1 4.02Å; M43-I48 HydrophobicContact CB-CG1 3.87Å; M43-I48 HydrophobicContact CE-CG1 4.39Å; M43-Y51 HydrophobicContact CE-CD2 3.98Å; M43-Y51 HydrophobicContact CE-CE2 3.83Å; M43-L142 HydrophobicContact CG-CD2 4.25Å; M43-L142 HydrophobicContact SD-CD2 4.47Å; M43-K169 PolarHBondContact O-NZ 2.79Å; M43-K169 VanDerWaalsContact O-NZ 3.1Å; M43-Y170 PolarHBondContact O-OH 3.31Å |
| 44 | P | 97.4 | Very high | 96.4 | Very high | 81 Ų | 81 | 47.5 Ų | 47.5 | 53% | 0.526 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 135.9 | 173.2 | -18.5 | 32 | 0 | 0 | 0 | 112.4 | S46 L47 I48 | P44-S46 VanDerWaalsContact C-N 3.34Å; P44-S46 PolarHBondContact O-N 3.48Å; P44-L47 WeakPolarHBondContact O-CB 3.4Å; P44-L47 PolarHBondContact O-N 3.01Å; P44-I48 PolarHBondContact O-N 3.06Å |
| 45 | E | 98.1 | Very high | 96.5 | Very high | 54 Ų | 54 | 44 Ų | 44 | 25% | 0.252 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -55.7 | -41.3 | -174.1 | 177.9 | 161.3 | 149.8 | 0 | 0 | 114.1 | L47 I48 L49 Y170 S171 I174 | E45-L47 VanDerWaalsContact C-N 3.26Å; E45-L47 PolarHBondContact O-N 3.17Å; E45-I48 PolarHBondContact O-N 3.33Å; E45-L49 HydrophobicContact CG-CD1 3.89Å; E45-L49 HydrophobicContact CG-CG 4.24Å; E45-L49 WeakPolarHBondContact O-CG 3.36Å; E45-L49 PolarHBondContact O-N 3.1Å; E45-Y170 HydrophobicContact CB-CD1 4.11Å; E45-Y170 HydrophobicContact CB-CE1 4.38Å; E45-Y170 HydrophobicContact CG-CD1 4.46Å; E45-Y170 WeakPolarHBondContact OE2-CA 3.37Å; E45-S171 VanDerWaalsContact CD-OG 3.3Å; E45-S171 WeakPolarHBondContact OE1-CB 3.34Å; E45-S171 PolarHBondContact OE1-OG 3.45Å; E45-S171 PolarHBondContact OE2-N 2.94Å; E45-S171 PolarHBondContact OE2-OG 3.5Å; E45-I174 VanDerWaalsContact CD-CD1 3.48Å; E45-I174 HydrophobicContact CG-CD1 3.5Å |
| 46 | S | 96.9 | Very high | 96.6 | Very high | 55 Ų | 55 | 43.8 Ų | 43.8 | 39% | 0.385 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.5 | -35.9 | 179.6 | -168.9 | 0 | 0 | 0 | 0 | 112.2 | P44 L49 D50 R204 | P44-S46 VanDerWaalsContact C-N 3.34Å; P44-S46 PolarHBondContact O-N 3.48Å; S46-L49 PolarHBondContact O-N 3.37Å; S46-D50 VanDerWaalsContact O-CB 3.23Å; S46-D50 WeakPolarHBondContact O-CB 3.5Å; S46-D50 VanDerWaalsContact O-CG 3.23Å; S46-D50 PolarHBondContact O-N 2.92Å; S46-D50 PolarHBondContact OG-OD2 3.22Å; S46-D50 VanDerWaalsContact OG-OD2 3.05Å; S46-R204 PolarHBondContact O-NH1 3.26Å; S46-R204 PolarHBondContact OG-NH1 3.16Å; S46-R204 PolarHBondContact OG-NH2 3.33Å |
| 47 | L | 96.3 | Very high | 96.6 | Very high | 56 Ų | 56 | 40.2 Ų | 40.2 | 29% | 0.293 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -67.4 | -42.7 | 178.7 | -175.4 | 62.7 | 0 | 0 | 0 | 110.9 | M43 P44 E45 L49 D50 Y51 | M43-L47 HydrophobicContact CE-CD2 3.79Å; M43-L47 HydrophobicContact CE-CG 4.02Å; P44-L47 WeakPolarHBondContact O-CB 3.4Å; P44-L47 PolarHBondContact O-N 3.01Å; E45-L47 VanDerWaalsContact C-N 3.26Å; E45-L47 PolarHBondContact O-N 3.17Å; L47-L49 VanDerWaalsContact C-N 3.34Å; L47-L49 PolarHBondContact O-N 2.85Å; L47-D50 PolarHBondContact O-N 3.21Å; L47-Y51 HydrophobicContact CD1-CD1 4.18Å; L47-Y51 HydrophobicContact CD1-CE1 3.65Å; L47-Y51 HydrophobicContact CD1-CE2 4.13Å; L47-Y51 HydrophobicContact CD2-CE2 4.38Å; L47-Y51 HydrophobicContact CG-CD2 4.39Å; L47-Y51 HydrophobicContact CG-CE1 4.39Å; L47-Y51 HydrophobicContact CG-CE2 4.02Å; L47-Y51 WeakPolarHBondContact O-CB 3.02Å; L47-Y51 PolarHBondContact O-N 2.81Å |
| 48 | I | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.6 | -47 | 174.6 | -58.4 | 175.1 | 0 | 0 | 0 | 110.3 | M43 P44 E45 Y51 F52 L136 M139 T140 Y170 | M43-I48 HydrophobicContact CB-CD1 4.02Å; M43-I48 HydrophobicContact CB-CG1 3.87Å; M43-I48 HydrophobicContact CE-CG1 4.39Å; P44-I48 PolarHBondContact O-N 3.06Å; E45-I48 PolarHBondContact O-N 3.33Å; I48-Y51 PolarHBondContact O-N 3.36Å; I48-F52 WeakPolarHBondContact O-CB 3.17Å; I48-F52 PolarHBondContact O-N 3.23Å; I48-L136 HydrophobicContact CG2-CD1 3.65Å; I48-M139 WeakPolarHBondContact CD1-O 3.35Å; I48-M139 HydrophobicContact CG1-CB 4.22Å; I48-M139 HydrophobicContact CG2-CB 3.88Å; I48-M139 HydrophobicContact CG2-CE 4.21Å; I48-M139 HydrophobicContact CG2-SD 4.38Å; I48-T140 HydrophobicContact CD1-CG2 3.87Å; I48-T140 HydrophobicContact CG2-CG2 4.29Å; I48-Y170 HydrophobicContact CD1-CD1 4.32Å; I48-Y170 HydrophobicContact CD1-CE1 3.39Å |
| 49 | L | 97.8 | Very high | 96.7 | Very high | 4 Ų | 4 | 31.7 Ų | 31.7 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.9 | -36.2 | 179.8 | -68.4 | 174.6 | 0 | 0 | 0 | 113.2 | E45 S46 L47 V53 I174 F200 L201 | E45-L49 HydrophobicContact CG-CD1 3.89Å; E45-L49 HydrophobicContact CG-CG 4.24Å; E45-L49 WeakPolarHBondContact O-CG 3.36Å; E45-L49 PolarHBondContact O-N 3.1Å; S46-L49 PolarHBondContact O-N 3.37Å; L47-L49 VanDerWaalsContact C-N 3.34Å; L47-L49 PolarHBondContact O-N 2.85Å; L49-V53 WeakPolarHBondContact O-CB 3.45Å; L49-V53 WeakPolarHBondContact O-CG1 3.44Å; L49-V53 PolarHBondContact O-N 3.2Å; L49-I174 HydrophobicContact CD1-CD1 4.26Å; L49-I174 HydrophobicContact CD2-CD1 3.67Å; L49-I174 HydrophobicContact CD2-CG1 3.81Å; L49-I174 HydrophobicContact CG-CD1 3.84Å; L49-I174 HydrophobicContact CG-CG1 4.46Å; L49-F200 HydrophobicContact CD1-CD2 4.36Å; L49-F200 HydrophobicContact CD2-CD2 3.71Å; L49-F200 HydrophobicContact CD2-CE2 3.87Å; L49-L201 HydrophobicContact CD2-CD2 3.79Å |
| 50 | D | 97.1 | Very high | 96.9 | Very high | 18 Ų | 18 | 25.3 Ų | 25.3 | 10% | 0.096 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -72.3 | -27.8 | 176.7 | -77 | -35.9 | 0 | 0 | 0 | 112.3 | S46 L47 Q54 R204 R207 Y208 | S46-D50 VanDerWaalsContact O-CB 3.23Å; S46-D50 WeakPolarHBondContact O-CB 3.5Å; S46-D50 VanDerWaalsContact O-CG 3.23Å; S46-D50 PolarHBondContact O-N 2.92Å; S46-D50 PolarHBondContact OG-OD2 3.22Å; S46-D50 VanDerWaalsContact OG-OD2 3.05Å; L47-D50 PolarHBondContact O-N 3.21Å; D50-Q54 WeakPolarHBondContact O-CG 3.27Å; D50-Q54 PolarHBondContact O-NE2 3.13Å; D50-R204 WeakPolarHBondContact OD1-CD 3.37Å; D50-R204 IonicContact OD1-CZ 3.19Å; D50-R204 IonicContact OD1-NH1 3.78Å; D50-R204 PolarHBondContact OD1-NH1 2.86Å; D50-R204 IonicContact OD2-NH1 2.76Å; D50-R204 PolarHBondContact OD2-NH1 3.13Å; D50-R207 VanDerWaalsContact CG-NH1 3.33Å; D50-R207 IonicContact OD1-CZ 3.63Å; D50-R207 IonicContact OD1-NH1 2.68Å; D50-R207 PolarHBondContact OD1-NH1 3.48Å; D50-R207 IonicContact OD2-NH1 3.95Å; D50-R207 PolarHBondContact OD2-NH1 3.29Å; D50-Y208 HydrophobicContact CB-CE2 4.35Å; D50-Y208 VanDerWaalsContact CB-OH 3.31Å; D50-Y208 WeakPolarHBondContact CB-OH 3.33Å; D50-Y208 PolarHBondContact OD1-OH 3.05Å |
| 51 | Y | 97.9 | Very high | 96.9 | Very high | 27 Ų | 27 | 22.8 Ų | 22.8 | 11% | 0.106 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -76.7 | -50.2 | 166.7 | -73.1 | -6.4 | 0 | 0 | 0 | 111.7 | L31 M43 L47 I48 V53 Q54 I55 L79 L85 M139 | L31-Y51 HydrophobicContact CD1-CD2 3.94Å; L31-Y51 HydrophobicContact CD1-CE2 4.1Å; M43-Y51 HydrophobicContact CE-CD2 3.98Å; M43-Y51 HydrophobicContact CE-CE2 3.83Å; L47-Y51 HydrophobicContact CD1-CD1 4.18Å; L47-Y51 HydrophobicContact CD1-CE1 3.65Å; L47-Y51 HydrophobicContact CD1-CE2 4.13Å; L47-Y51 HydrophobicContact CD2-CE2 4.38Å; L47-Y51 HydrophobicContact CG-CD2 4.39Å; L47-Y51 HydrophobicContact CG-CE1 4.39Å; L47-Y51 HydrophobicContact CG-CE2 4.02Å; L47-Y51 WeakPolarHBondContact O-CB 3.02Å; L47-Y51 PolarHBondContact O-N 2.81Å; I48-Y51 PolarHBondContact O-N 3.36Å; Y51-V53 PolarHBondContact O-N 2.83Å; Y51-Q54 WeakPolarHBondContact O-CB 3.48Å; Y51-Q54 PolarHBondContact O-N 3.47Å; Y51-I55 PolarHBondContact O-N 3.27Å; Y51-I55 VanDerWaalsContact O-N 3.12Å; Y51-L79 HydrophobicContact CD1-CD2 4.38Å; Y51-L79 HydrophobicContact CE1-CD2 3.82Å; Y51-L79 HydrophobicContact CE2-CD1 4.48Å; Y51-L79 HydrophobicContact CE2-CD2 4.35Å; Y51-L85 HydrophobicContact CD1-CD1 4.26Å; Y51-L85 HydrophobicContact CG-CD1 3.96Å; Y51-M139 HydrophobicContact CD2-SD 4.05Å; Y51-M139 HydrophobicContact CG-SD 4.5Å |
| 52 | F | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60.9 | -39.1 | -175.9 | -175.7 | -101 | 0 | 0 | 0 | 113.1 | I48 Q54 I55 C56 L132 L136 M139 L177 L181 I195 L201 | I48-F52 WeakPolarHBondContact O-CB 3.17Å; I48-F52 PolarHBondContact O-N 3.23Å; F52-Q54 VanDerWaalsContact C-N 3.28Å; F52-Q54 PolarHBondContact O-N 3.28Å; F52-I55 PolarHBondContact O-N 2.61Å; F52-C56 WeakPolarHBondContact CE1-SG 3.45Å; F52-C56 VanDerWaalsContact CZ-SG 3.51Å; F52-C56 WeakPolarHBondContact O-CB 3.23Å; F52-C56 PolarHBondContact O-N 3.35Å; F52-C56 PolarHBondContact O-SG 3.32Å; F52-L132 HydrophobicContact CD2-CD1 4.06Å; F52-L132 HydrophobicContact CE2-CD1 3.45Å; F52-L132 VanDerWaalsContact CE2-CD1 3.45Å; F52-L132 HydrophobicContact CE2-CD2 4.21Å; F52-L132 HydrophobicContact CE2-CG 3.65Å; F52-L132 HydrophobicContact CZ-CD1 4.15Å; F52-L132 HydrophobicContact CZ-CD2 4.1Å; F52-L132 HydrophobicContact CZ-CG 4.02Å; F52-L136 HydrophobicContact CB-CD1 4.29Å; F52-L136 HydrophobicContact CD2-CB 3.81Å; F52-L136 HydrophobicContact CD2-CD1 3.77Å; F52-L136 HydrophobicContact CD2-CD2 4.13Å; F52-L136 HydrophobicContact CD2-CG 4.09Å; F52-L136 HydrophobicContact CE1-CD2 4.36Å; F52-L136 HydrophobicContact CE2-CB 3.66Å; F52-L136 HydrophobicContact CE2-CD1 4.27Å; F52-L136 HydrophobicContact CE2-CD2 3.78Å; F52-L136 HydrophobicContact CE2-CG 4.09Å; F52-L136 HydrophobicContact CG-CD1 4Å; F52-L136 HydrophobicContact CZ-CD2 3.91Å; F52-M139 HydrophobicContact CB-CE 4.07Å; F52-M139 HydrophobicContact CD2-CE 4.24Å; F52-L177 HydrophobicContact CD1-CD2 4.42Å; F52-L177 HydrophobicContact CE1-CD2 3.66Å; F52-L177 HydrophobicContact CZ-CD2 4.04Å; F52-L181 HydrophobicContact CE2-CD1 4.5Å; F52-L181 HydrophobicContact CZ-CD1 4.2Å; F52-I195 HydrophobicContact CE1-CG2 3.79Å; F52-I195 HydrophobicContact CZ-CG2 4.21Å; F52-L201 HydrophobicContact CD1-CD1 3.99Å; F52-L201 HydrophobicContact CD1-CD2 3.94Å; F52-L201 HydrophobicContact CE1-CD1 3.81Å |
| 53 | V | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63.3 | -35.5 | 175.2 | 73.7 | 0 | 0 | 0 | 0 | 111.8 | L49 Y51 C56 L57 L196 L201 R204 I205 Y208 | L49-V53 WeakPolarHBondContact O-CB 3.45Å; L49-V53 WeakPolarHBondContact O-CG1 3.44Å; L49-V53 PolarHBondContact O-N 3.2Å; Y51-V53 PolarHBondContact O-N 2.83Å; V53-C56 PolarHBondContact O-N 3.21Å; V53-L57 HydrophobicContact CG2-CD1 4.39Å; V53-L57 VanDerWaalsContact O-CG 3.25Å; V53-L57 WeakPolarHBondContact O-CG 3.02Å; V53-L57 PolarHBondContact O-N 3.42Å; V53-L196 HydrophobicContact CG2-CD2 4.03Å; V53-L201 HydrophobicContact CB-CD2 4.34Å; V53-R204 HydrophobicContact CB-CB 4.41Å; V53-R204 HydrophobicContact CG1-CB 3.97Å; V53-R204 HydrophobicContact CG2-CB 4.33Å; V53-I205 HydrophobicContact CG2-CG1 3.95Å; V53-Y208 HydrophobicContact CG1-CD2 3.66Å; V53-Y208 HydrophobicContact CG1-CE2 3.74Å |
| 54 | Q | 97.7 | Very high | 95.9 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -68.8 | -40.3 | 177.2 | -71.8 | -178.7 | 87.5 | 0 | 0 | 111.8 | N5 D50 Y51 F52 C56 L57 A58 L85 Y208 | N5-Q54 HydrophobicContact CB-CB 4.33Å; N5-Q54 WeakPolarHBondContact CB-O 3.41Å; N5-Q54 WeakPolarHBondContact ND2-CB 3.34Å; N5-Q54 WeakPolarHBondContact ND2-CG 3.43Å; N5-Q54 PolarHBondContact ND2-OE1 2.94Å; D50-Q54 WeakPolarHBondContact O-CG 3.27Å; D50-Q54 PolarHBondContact O-NE2 3.13Å; Y51-Q54 WeakPolarHBondContact O-CB 3.48Å; Y51-Q54 PolarHBondContact O-N 3.47Å; F52-Q54 VanDerWaalsContact C-N 3.28Å; F52-Q54 PolarHBondContact O-N 3.28Å; Q54-C56 VanDerWaalsContact C-N 3.32Å; Q54-L57 PolarHBondContact O-N 2.76Å; Q54-A58 PolarHBondContact O-N 2.99Å; Q54-A58 VanDerWaalsContact O-N 3.14Å; Q54-L85 HydrophobicContact CB-CB 4.03Å; Q54-L85 HydrophobicContact CB-CD2 3.87Å; Q54-L85 HydrophobicContact CB-CG 4.47Å; Q54-Y208 VanDerWaalsContact CD-CE1 3.49Å; Q54-Y208 HydrophobicContact CG-CD1 3.63Å; Q54-Y208 HydrophobicContact CG-CD2 3.85Å; Q54-Y208 HydrophobicContact CG-CE1 4.06Å; Q54-Y208 HydrophobicContact CG-CE2 4.25Å; Q54-Y208 HydrophobicContact CG-CG 3.54Å |
| 55 | I | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -61.1 | -44.2 | 170.9 | -54 | 165.3 | 0 | 0 | 0 | 109.7 | L31 Y51 F52 L57 A58 L59 V77 L85 L132 V135 M139 | L31-I55 HydrophobicContact CD2-CD1 4.43Å; Y51-I55 PolarHBondContact O-N 3.27Å; Y51-I55 VanDerWaalsContact O-N 3.12Å; F52-I55 PolarHBondContact O-N 2.61Å; I55-L57 PolarHBondContact O-N 2.85Å; I55-A58 WeakPolarHBondContact O-CB 3.42Å; I55-A58 PolarHBondContact O-N 2.97Å; I55-L59 PolarHBondContact O-N 3.01Å; I55-V77 HydrophobicContact CD1-CG1 4.16Å; I55-V77 HydrophobicContact CG1-CG1 4.09Å; I55-L85 HydrophobicContact CB-CD2 4.41Å; I55-L85 HydrophobicContact CD1-CD1 4.26Å; I55-L85 HydrophobicContact CG1-CD1 3.9Å; I55-L85 HydrophobicContact CG1-CD2 3.5Å; I55-L85 HydrophobicContact CG1-CG 4.37Å; I55-L132 HydrophobicContact CB-CD1 4.21Å; I55-L132 HydrophobicContact CG2-CD1 3.55Å; I55-V135 HydrophobicContact CD1-CG1 3.69Å; I55-M139 HydrophobicContact CD1-CE 4.14Å |
| 56 | C | 97.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64.9 | -37.3 | -178.8 | -69.9 | 0 | 0 | 0 | 0 | 113.4 | F52 V53 Q54 L59 K60 I192 L196 | F52-C56 WeakPolarHBondContact CE1-SG 3.45Å; F52-C56 VanDerWaalsContact CZ-SG 3.51Å; F52-C56 WeakPolarHBondContact O-CB 3.23Å; F52-C56 PolarHBondContact O-N 3.35Å; F52-C56 PolarHBondContact O-SG 3.32Å; V53-C56 PolarHBondContact O-N 3.21Å; Q54-C56 VanDerWaalsContact C-N 3.32Å; C56-L59 PolarHBondContact O-N 3.46Å; C56-K60 WeakPolarHBondContact O-CB 3.35Å; C56-K60 PolarHBondContact O-N 3.32Å; C56-I192 HydrophobicContact CB-CD1 3.85Å; C56-I192 WeakPolarHBondContact O-CG1 3.28Å; C56-L196 HydrophobicContact CB-CD1 4.38Å; C56-L196 HydrophobicContact CB-CD2 3.62Å; C56-L196 HydrophobicContact CB-CG 3.93Å |
| 57 | L | 96.6 | Very high | 94 | Very high | 2 Ų | 2 | 23.7 Ų | 23.7 | 1% | 0.01 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -67.5 | -40.4 | 175.7 | -68.8 | 167.4 | 0 | 0 | 0 | 111.4 | H3 V53 Q54 I55 K60 H61 L196 I205 L209 F218 | H3-L57 VanDerWaalsContact CE1-C 3.42Å; H3-L57 PolarHBondContact CE1-O 2.9Å; V53-L57 HydrophobicContact CG2-CD1 4.39Å; V53-L57 VanDerWaalsContact O-CG 3.25Å; V53-L57 WeakPolarHBondContact O-CG 3.02Å; V53-L57 PolarHBondContact O-N 3.42Å; Q54-L57 PolarHBondContact O-N 2.76Å; I55-L57 PolarHBondContact O-N 2.85Å; L57-K60 PolarHBondContact O-N 3.46Å; L57-H61 PolarHBondContact O-N 3.5Å; L57-H61 VanDerWaalsContact O-N 3.09Å; L57-L196 HydrophobicContact CD2-CD1 4.07Å; L57-L196 HydrophobicContact CD2-CD2 3.97Å; L57-L196 HydrophobicContact CG-CD2 4.15Å; L57-I205 HydrophobicContact CD1-CG2 4.36Å; L57-I205 HydrophobicContact CD2-CG1 4.3Å; L57-I205 HydrophobicContact CD2-CG2 4.01Å; L57-L209 HydrophobicContact CD1-CD1 4.38Å; L57-L209 HydrophobicContact CD1-CD2 4.44Å; L57-L209 HydrophobicContact CD1-CG 4.05Å; L57-L209 HydrophobicContact CD2-CD1 3.98Å; L57-F218 HydrophobicContact CD2-CE2 4.07Å; L57-F218 HydrophobicContact CD2-CZ 3.94Å |
| 58 | A | 96 | Very high | 93.6 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.2 | -49.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | N5 I6 Q54 I55 K60 H61 I62 L87 | N5-A58 HydrophobicContact CB-CB 4.21Å; N5-A58 VanDerWaalsContact O-CB 3.26Å; N5-A58 WeakPolarHBondContact O-CB 3.43Å; I6-A58 HydrophobicContact CD1-CB 4.28Å; I6-A58 HydrophobicContact CG1-CB 3.71Å; Q54-A58 PolarHBondContact O-N 2.99Å; Q54-A58 VanDerWaalsContact O-N 3.14Å; I55-A58 WeakPolarHBondContact O-CB 3.42Å; I55-A58 PolarHBondContact O-N 2.97Å; A58-K60 VanDerWaalsContact C-N 3.34Å; A58-K60 PolarHBondContact O-N 3.05Å; A58-H61 WeakPolarHBondContact O-CB 3.38Å; A58-H61 PolarHBondContact O-N 2.89Å; A58-I62 VanDerWaalsContact O-CD1 3.31Å; A58-I62 WeakPolarHBondContact O-CD1 3.45Å; A58-I62 VanDerWaalsContact O-CG1 3.28Å; A58-I62 WeakPolarHBondContact O-CG1 3.34Å; A58-I62 PolarHBondContact O-N 2.98Å; A58-L87 HydrophobicContact CB-CB 3.88Å; A58-L87 HydrophobicContact CB-CD2 4.14Å |
| 59 | L | 95.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -66.7 | -33.7 | -179.3 | -167.5 | 60.7 | 0 | 0 | 0 | 112.9 | I55 C56 I62 H63 H69 I72 D128 I129 L132 I192 | I55-L59 PolarHBondContact O-N 3.01Å; C56-L59 PolarHBondContact O-N 3.46Å; L59-I62 HydrophobicContact CD1-CB 4.49Å; L59-I62 HydrophobicContact CD1-CD1 4.35Å; L59-I62 WeakPolarHBondContact O-CB 3.43Å; L59-I62 PolarHBondContact O-N 3.33Å; L59-H63 WeakPolarHBondContact CD1-NE2 3.47Å; L59-H63 WeakPolarHBondContact O-CB 3.36Å; L59-H63 PolarHBondContact O-N 3.44Å; L59-H69 HydrophobicContact CD1-CB 4.24Å; L59-I72 HydrophobicContact CD1-CD1 3.64Å; L59-I72 HydrophobicContact CD2-CD1 3.89Å; L59-I72 HydrophobicContact CG-CD1 4.4Å; L59-D128 HydrophobicContact CD1-CB 4.23Å; L59-D128 HydrophobicContact CD2-CB 4.3Å; L59-I129 HydrophobicContact CD2-CD1 4.09Å; L59-L132 HydrophobicContact CD2-CB 4.45Å; L59-L132 HydrophobicContact CD2-CD2 3.9Å; L59-I192 HydrophobicContact CB-CD1 4.23Å; L59-I192 HydrophobicContact CB-CG1 4.1Å; L59-I192 HydrophobicContact CD2-CD1 4.08Å; L59-I192 HydrophobicContact CD2-CG1 4.43Å; L59-I192 HydrophobicContact CG-CD1 4.45Å; L59-I192 HydrophobicContact CG-CG1 4.31Å |
| 60 | K | 94.8 | Very high | 92.6 | Very high | 9 Ų | 9 | 25.6 Ų | 25.6 | 4% | 0.039 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -58.4 | -50.2 | 169.3 | 171.9 | 176.7 | 162 | 57.3 | 0 | 111.7 | C56 L57 A58 I62 H63 D64 I192 N193 L196 E217 F218 | C56-K60 WeakPolarHBondContact O-CB 3.35Å; C56-K60 PolarHBondContact O-N 3.32Å; L57-K60 PolarHBondContact O-N 3.46Å; A58-K60 VanDerWaalsContact C-N 3.34Å; A58-K60 PolarHBondContact O-N 3.05Å; K60-I62 PolarHBondContact O-N 3.03Å; K60-I62 VanDerWaalsContact O-N 3.14Å; K60-H63 PolarHBondContact O-N 2.87Å; K60-D64 WeakPolarHBondContact CG-OD2 3.43Å; K60-D64 IonicContact NZ-OD1 2.66Å; K60-D64 IonicContact NZ-OD2 3.92Å; K60-D64 PolarHBondContact NZ-OD2 2.86Å; K60-D64 WeakPolarHBondContact O-CB 3.29Å; K60-D64 VanDerWaalsContact O-CG 3.26Å; K60-D64 PolarHBondContact O-N 3.4Å; K60-I192 HydrophobicContact CB-CG1 4.22Å; K60-I192 HydrophobicContact CB-CG2 4.12Å; K60-N193 WeakPolarHBondContact CD-OD1 3.47Å; K60-N193 PolarHBondContact NZ-OD1 3.49Å; K60-L196 HydrophobicContact CB-CD1 3.76Å; K60-L196 HydrophobicContact CD-CD1 3.49Å; K60-L196 VanDerWaalsContact CD-CD1 3.49Å; K60-L196 HydrophobicContact CG-CD1 4.2Å; K60-E217 WeakPolarHBondContact CE-O 3.45Å; K60-E217 PolarHBondContact NZ-O 3.14Å; K60-F218 HydrophobicContact CD-CE1 3.97Å; K60-F218 HydrophobicContact CD-CE2 4.41Å; K60-F218 HydrophobicContact CD-CZ 3.81Å |
| 61 | H | 92 | Very high | 92.2 | Very high | 7 Ų | 7 | 27.5 Ų | 27.5 | 3% | 0.032 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57.2 | -31.8 | 178.4 | -178.6 | 103.1 | 0 | 0 | 0 | 112 | N2 H3 I6 L57 A58 R65 E217 | N2-H61 PolarHBondContact O-CE1 3.43Å; H3-H61 HydrophobicContact CB-CB 4.3Å; H3-H61 AromaticContact CD2-ND1 3.83Å; I6-H61 HydrophobicContact CD1-CB 4.36Å; L57-H61 PolarHBondContact O-N 3.5Å; L57-H61 VanDerWaalsContact O-N 3.09Å; A58-H61 WeakPolarHBondContact O-CB 3.38Å; A58-H61 PolarHBondContact O-N 2.89Å; H61-R65 VanDerWaalsContact CA-NH1 3.32Å; H61-R65 PolarHBondContact CE1-NH2 2.97Å; H61-R65 VanDerWaalsContact CE1-NH2 3.31Å; H61-R65 PolarHBondContact ND1-NH1 3.44Å; H61-R65 VanDerWaalsContact ND1-NH1 3.16Å; H61-R65 PolarHBondContact ND1-NH2 2.83Å; H61-R65 VanDerWaalsContact O-CD 3.24Å; H61-R65 WeakPolarHBondContact O-CD 3.42Å; H61-R65 WeakPolarHBondContact O-CG 3.36Å; H61-R65 PolarHBondContact O-NH1 3.29Å; H61-E217 IonicContact CE1-OE1 2.6Å; H61-E217 PolarHBondContact CE1-OE1 2.94Å; H61-E217 IonicContact CG-OE1 2.68Å; H61-E217 IonicContact CG-OE2 3.68Å; H61-E217 VanDerWaalsContact ND1-CD 3.27Å; H61-E217 IonicContact ND1-OE1 2.7Å; H61-E217 PolarHBondContact ND1-OE1 3.35Å; H61-E217 IonicContact ND1-OE2 2.76Å; H61-E217 PolarHBondContact ND1-OE2 2.78Å |
| 62 | I | 91.7 | Very high | 92 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -77.1 | -53.7 | 178.5 | -63.1 | 158.9 | 0 | 0 | 0 | 111.3 | M1 I6 A58 L59 K60 R65 I67 L87 F90 | M1-I62 HydrophobicContact CE-CG1 3.64Å; I6-I62 HydrophobicContact CD1-CD1 4.21Å; I6-I62 HydrophobicContact CD1-CG1 4.12Å; A58-I62 VanDerWaalsContact O-CD1 3.31Å; A58-I62 WeakPolarHBondContact O-CD1 3.45Å; A58-I62 VanDerWaalsContact O-CG1 3.28Å; A58-I62 WeakPolarHBondContact O-CG1 3.34Å; A58-I62 PolarHBondContact O-N 2.98Å; L59-I62 HydrophobicContact CD1-CB 4.49Å; L59-I62 HydrophobicContact CD1-CD1 4.35Å; L59-I62 WeakPolarHBondContact O-CB 3.43Å; L59-I62 PolarHBondContact O-N 3.33Å; K60-I62 PolarHBondContact O-N 3.03Å; K60-I62 VanDerWaalsContact O-N 3.14Å; I62-R65 PolarHBondContact O-N 2.98Å; I62-I67 HydrophobicContact CG2-CB 3.81Å; I62-I67 HydrophobicContact CG2-CG2 3.86Å; I62-I67 PolarHBondContact O-N 2.66Å; I62-L87 HydrophobicContact CD1-CD2 3.71Å; I62-F90 HydrophobicContact CD1-CE1 3.59Å; I62-F90 HydrophobicContact CD1-CZ 4.06Å; I62-F90 HydrophobicContact CG1-CE1 3.83Å; I62-F90 HydrophobicContact CG1-CZ 4.43Å |
| 63 | H | 90.2 | Very high | 91.8 | Very high | 14 Ų | 14 | 28 Ų | 28 | 7% | 0.065 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.9 | -38.5 | -175.8 | -74.1 | -178.4 | 0 | 0 | 0 | 113.3 | L59 K60 R65 M66 I67 H125 D128 I192 | L59-H63 WeakPolarHBondContact CD1-NE2 3.47Å; L59-H63 WeakPolarHBondContact O-CB 3.36Å; L59-H63 PolarHBondContact O-N 3.44Å; K60-H63 PolarHBondContact O-N 2.87Å; H63-R65 PolarHBondContact O-N 3.35Å; H63-M66 WeakPolarHBondContact O-CA 3.42Å; H63-M66 PolarHBondContact O-N 3.09Å; H63-I67 PolarHBondContact CD2-O 2.87Å; H63-H125 PolarHBondContact CE1-O 3.46Å; H63-D128 IonicContact CD2-OD2 4Å; H63-D128 IonicContact CE1-OD2 2.64Å; H63-D128 WeakPolarHBondContact NE2-CB 3.45Å; H63-D128 IonicContact NE2-OD2 2.87Å; H63-D128 PolarHBondContact NE2-OD2 3.05Å; H63-I192 HydrophobicContact CB-CG2 4.02Å |
| 64 | D | 87.7 | Confident | 91.8 | Very high | 50 Ų | 50 | 28 Ų | 28 | 27% | 0.267 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -15.1 | 175.8 | -70.3 | -6.9 | 0 | 0 | 0 | 112.7 | K60 N193 | K60-D64 WeakPolarHBondContact CG-OD2 3.43Å; K60-D64 IonicContact NZ-OD1 2.66Å; K60-D64 IonicContact NZ-OD2 3.92Å; K60-D64 PolarHBondContact NZ-OD2 2.86Å; K60-D64 WeakPolarHBondContact O-CB 3.29Å; K60-D64 VanDerWaalsContact O-CG 3.26Å; K60-D64 PolarHBondContact O-N 3.4Å; D64-N193 PolarHBondContact OD1-ND2 3.29Å |
| 65 | R | 86.1 | Confident | 91.6 | Very high | 101 Ų | 101 | 30.7 Ų | 30.7 | 38% | 0.381 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 11.2 | 176.4 | -63.4 | 173.8 | 179.1 | 76 | -6.9 | 112.1 | H61 I62 H63 I67 E217 | H61-R65 VanDerWaalsContact CA-NH1 3.32Å; H61-R65 PolarHBondContact CE1-NH2 2.97Å; H61-R65 VanDerWaalsContact CE1-NH2 3.31Å; H61-R65 PolarHBondContact ND1-NH1 3.44Å; H61-R65 VanDerWaalsContact ND1-NH1 3.16Å; H61-R65 PolarHBondContact ND1-NH2 2.83Å; H61-R65 VanDerWaalsContact O-CD 3.24Å; H61-R65 WeakPolarHBondContact O-CD 3.42Å; H61-R65 WeakPolarHBondContact O-CG 3.36Å; H61-R65 PolarHBondContact O-NH1 3.29Å; I62-R65 PolarHBondContact O-N 2.98Å; H63-R65 PolarHBondContact O-N 3.35Å; R65-I67 HydrophobicContact CB-CD1 4.3Å; R65-I67 HydrophobicContact CB-CG1 4.42Å; R65-I67 PolarHBondContact O-N 3.06Å; R65-E217 IonicContact CZ-OE1 3.8Å; R65-E217 IonicContact CZ-OE2 3.27Å; R65-E217 IonicContact NH1-OE1 3.89Å; R65-E217 IonicContact NH1-OE2 2.72Å; R65-E217 PolarHBondContact NH1-OE2 3.12Å; R65-E217 IonicContact NH2-OE1 3.81Å; R65-E217 PolarHBondContact NH2-OE1 3.31Å; R65-E217 IonicContact NH2-OE2 2.98Å |
| 66 | M | 83.4 | Confident | 91.5 | Very high | 147 Ų | 147 | 31 Ų | 31 | 72% | 0.724 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.3 | 31.5 | -179.8 | -57.8 | -63.6 | 159.8 | 0 | 0 | 114 | H63 | H63-M66 WeakPolarHBondContact O-CA 3.42Å; H63-M66 PolarHBondContact O-N 3.09Å |
| 67 | I | 83.4 | Confident | 91.4 | Very high | 62 Ų | 62 | 31 Ų | 31 | 32% | 0.318 | 15% | 0.145 | S | C | . | . | trans | -97.5 | 149.3 | 173.4 | -57.2 | 173.6 | 0 | 0 | 0 | 108.3 | M1 I62 H63 R65 | M1-I67 HydrophobicContact SD-CD1 4.01Å; I62-I67 HydrophobicContact CG2-CB 3.81Å; I62-I67 HydrophobicContact CG2-CG2 3.86Å; I62-I67 PolarHBondContact O-N 2.66Å; H63-I67 PolarHBondContact CD2-O 2.87Å; R65-I67 HydrophobicContact CB-CD1 4.3Å; R65-I67 HydrophobicContact CB-CG1 4.42Å; R65-I67 PolarHBondContact O-N 3.06Å | ||
| 68 | L | 86.8 | Confident | 91.5 | Very high | 38 Ų | 38 | 33 Ų | 33 | 20% | 0.199 | 15% | 0.154 | C | C | . | . | trans | -109.1 | 138.2 | 172 | -59.8 | 171.2 | 0 | 0 | 0 | 108.3 | R70 Y123 D124 H125 D128 | L68-R70 HydrophobicContact CB-CG 3.96Å; L68-Y123 HydrophobicContact CD1-CD1 4.08Å; L68-D124 VanDerWaalsContact CD2-C 3.45Å; L68-H125 HydrophobicContact CD2-CB 3.9Å; L68-H125 VanDerWaalsContact CD2-N 3.35Å; L68-D128 WeakPolarHBondContact CA-OD2 3.28Å | ||
| 69 | H | 89.2 | Confident | 91.6 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | -84.3 | -44.3 | -178.2 | -166.4 | -88.8 | 0 | 0 | 0 | 112.4 | L59 D71 I72 G88 D89 F90 D128 | L59-H69 HydrophobicContact CD1-CB 4.24Å; H69-D71 PolarHBondContact CE1-O 2.94Å; H69-D71 PolarHBondContact ND1-O 2.95Å; H69-D71 PolarHBondContact O-N 3.09Å; H69-I72 HydrophobicContact CB-CD1 3.92Å; H69-I72 HydrophobicContact CB-CG1 3.71Å; H69-I72 WeakPolarHBondContact ND1-CG1 3.45Å; H69-G88 PolarHBondContact CE1-O 2.84Å; H69-G88 PolarHBondContact NE2-O 3.21Å; H69-D89 PolarHBondContact CE1-O 3.12Å; H69-F90 AromaticContact CD2-CD1 3.7Å; H69-F90 AromaticContact CD2-CE1 3.53Å; H69-F90 AromaticContact NE2-CD1 3.89Å; H69-F90 AromaticContact NE2-CE1 3.81Å; H69-D128 PolarHBondContact N-OD1 2.96Å; H69-D128 PolarHBondContact N-OD2 3.23Å | ||
| 70 | R | 87 | Confident | 91.6 | Very high | 62 Ų | 62 | 34.2 Ų | 34.2 | 23% | 0.234 | 16% | 0.161 | C | C | . | . | trans | 67.7 | -29.3 | 173.1 | -62.7 | 158.8 | 171.3 | -172.6 | -7.3 | 117.4 | L68 K94 L96 Y123 D128 | L68-R70 HydrophobicContact CB-CG 3.96Å; R70-K94 PolarHBondContact NH1-O 3.3Å; R70-L96 HydrophobicContact CG-CD1 4.16Å; R70-L96 VanDerWaalsContact NE-CD1 3.33Å; R70-Y123 WeakPolarHBondContact CA-OH 3.31Å; R70-Y123 HydrophobicContact CG-CD1 4.05Å; R70-Y123 HydrophobicContact CG-CE1 3.64Å; R70-Y123 HydrophobicContact CG-CE2 4.24Å; R70-D128 PolarHBondContact N-OD1 3.42Å | ||
| 71 | D | 88.5 | Confident | 91.4 | Very high | 58 Ų | 58 | 37.3 Ų | 37.3 | 31% | 0.31 | 18% | 0.183 | S | C | . | . | trans | -114.9 | 56.8 | 175.5 | -158 | 12.8 | 0 | 0 | 0 | 110.3 | H69 K73 N76 | H69-D71 PolarHBondContact CE1-O 2.94Å; H69-D71 PolarHBondContact ND1-O 2.95Å; H69-D71 PolarHBondContact O-N 3.09Å; D71-K73 WeakPolarHBondContact OD1-CD 3.5Å; D71-K73 WeakPolarHBondContact OD1-CE 3.27Å; D71-K73 IonicContact OD1-NZ 3.46Å; D71-N76 PolarHBondContact O-ND2 3.49Å; D71-N76 PolarHBondContact OD1-ND2 2.88Å; D71-N76 PolarHBondContact OD2-ND2 3.16Å | ||
| 72 | I | 93.5 | Very high | 91.4 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | trans | -86.6 | 104.5 | 172.6 | -59.4 | 177.8 | 0 | 0 | 0 | 107.8 | L59 H69 Y112 D128 A131 V135 | L59-I72 HydrophobicContact CD1-CD1 3.64Å; L59-I72 HydrophobicContact CD2-CD1 3.89Å; L59-I72 HydrophobicContact CG-CD1 4.4Å; H69-I72 HydrophobicContact CB-CD1 3.92Å; H69-I72 HydrophobicContact CB-CG1 3.71Å; H69-I72 WeakPolarHBondContact ND1-CG1 3.45Å; I72-Y112 WeakPolarHBondContact O-CD1 3.48Å; I72-D128 HydrophobicContact CD1-CB 3.67Å; I72-A131 HydrophobicContact CB-CB 3.91Å; I72-A131 HydrophobicContact CG2-CB 4.34Å; I72-V135 HydrophobicContact CG2-CG2 4.11Å | ||
| 73 | K | 94.4 | Very high | 91.1 | Very high | 35 Ų | 35 | 47.8 Ų | 47.8 | 15% | 0.152 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -147.9 | 160.2 | 177.9 | 53.4 | 177.9 | -176.6 | 168.8 | 0 | 110.4 | D71 Q75 N76 V77 Y112 | D71-K73 WeakPolarHBondContact OD1-CD 3.5Å; D71-K73 WeakPolarHBondContact OD1-CE 3.27Å; D71-K73 IonicContact OD1-NZ 3.46Å; K73-Q75 HydrophobicContact CD-CB 4.12Å; K73-Q75 HydrophobicContact CG-CB 4.18Å; K73-Q75 PolarHBondContact O-N 3.37Å; K73-N76 VanDerWaalsContact CE-CG 3.42Å; K73-N76 WeakPolarHBondContact CE-ND2 3.44Å; K73-N76 WeakPolarHBondContact CE-OD1 3.42Å; K73-N76 HydrophobicContact CG-CB 4Å; K73-N76 PolarHBondContact O-N 3.41Å; K73-V77 PolarHBondContact O-N 3.38Å; K73-Y112 HydrophobicContact CB-CD1 4.14Å; K73-Y112 HydrophobicContact CB-CD2 3.64Å; K73-Y112 HydrophobicContact CB-CE1 3.87Å; K73-Y112 HydrophobicContact CB-CE2 3.29Å; K73-Y112 HydrophobicContact CB-CG 4.05Å; K73-Y112 VanDerWaalsContact CB-CZ 3.44Å |
| 74 | T | 96.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -63 | -26.1 | -178.4 | 43.9 | 0 | 0 | 0 | 0 | 112.9 | L31 Y32 I35 N76 V77 Y112 V135 E138 | L31-T74 WeakPolarHBondContact CB-O 3.27Å; L31-T74 HydrophobicContact CD2-CG2 4.03Å; L31-T74 HydrophobicContact CG-CG2 4.05Å; L31-T74 PolarHBondContact N-O 3.28Å; L31-T74 VanDerWaalsContact N-O 3.12Å; Y32-T74 PolarHBondContact N-O 3.45Å; I35-T74 HydrophobicContact CD1-CG2 3.81Å; T74-N76 VanDerWaalsContact C-N 3.32Å; T74-N76 PolarHBondContact O-N 3.26Å; T74-V77 PolarHBondContact O-N 3.09Å; T74-Y112 PolarHBondContact N-OH 3.33Å; T74-Y112 PolarHBondContact OG1-OH 3.39Å; T74-V135 HydrophobicContact CG2-CB 4.3Å; T74-V135 HydrophobicContact CG2-CG1 3.91Å; T74-V135 HydrophobicContact CG2-CG2 4.13Å; T74-E138 WeakPolarHBondContact CB-OE2 3.44Å; T74-E138 HydrophobicContact CG2-CB 4.24Å; T74-E138 WeakPolarHBondContact CG2-OE2 3.11Å; T74-E138 PolarHBondContact OG1-OE2 2.88Å |
| 75 | Q | 94.9 | Very high | 91.7 | Very high | 58 Ų | 58 | 47.5 Ų | 47.5 | 27% | 0.271 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -63.9 | -30.6 | 170.9 | -62.8 | 169.3 | -2.9 | 0 | 0 | 113.7 | D30 Y32 K73 F78 | D30-Q75 WeakPolarHBondContact CB-O 3.34Å; Y32-Q75 HydrophobicContact CD1-CG 4.25Å; Y32-Q75 HydrophobicContact CG-CG 4.16Å; K73-Q75 HydrophobicContact CD-CB 4.12Å; K73-Q75 HydrophobicContact CG-CB 4.18Å; K73-Q75 PolarHBondContact O-N 3.37Å; Q75-F78 WeakPolarHBondContact O-CE1 3.24Å; Q75-F78 WeakPolarHBondContact O-CZ 3.43Å |
| 76 | N | 95.1 | Very high | 92.2 | Very high | 6 Ų | 6 | 43.6 Ų | 43.6 | 3% | 0.032 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -98.8 | 7.2 | -176.8 | -66.5 | 6.9 | 0 | 0 | 0 | 112.8 | D71 K73 T74 F78 G88 D89 | D71-N76 PolarHBondContact O-ND2 3.49Å; D71-N76 PolarHBondContact OD1-ND2 2.88Å; D71-N76 PolarHBondContact OD2-ND2 3.16Å; K73-N76 VanDerWaalsContact CE-CG 3.42Å; K73-N76 WeakPolarHBondContact CE-ND2 3.44Å; K73-N76 WeakPolarHBondContact CE-OD1 3.42Å; K73-N76 HydrophobicContact CG-CB 4Å; K73-N76 PolarHBondContact O-N 3.41Å; T74-N76 VanDerWaalsContact C-N 3.32Å; T74-N76 PolarHBondContact O-N 3.26Å; N76-F78 VanDerWaalsContact C-CE2 3.5Å; N76-F78 WeakPolarHBondContact O-CD2 3.36Å; N76-F78 WeakPolarHBondContact O-CE2 3.37Å; N76-G88 PolarHBondContact O-N 2.91Å; N76-D89 HydrophobicContact CB-CB 4.37Å |
| 77 | V | 97 | Very high | 92.8 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 103.8 | 178.6 | 173.4 | 0 | 0 | 0 | 0 | 107.9 | D30 L31 I55 K73 T74 L85 L87 | D30-V77 CarbonylContact C-O 3.58Å; D30-V77 WeakPolarHBondContact CA-O 3.15Å; L31-V77 HydrophobicContact CB-CB 4Å; L31-V77 HydrophobicContact CB-CG1 3.97Å; L31-V77 VanDerWaalsContact CB-O 3.28Å; L31-V77 WeakPolarHBondContact CB-O 3.31Å; L31-V77 HydrophobicContact CD2-CB 4.14Å; L31-V77 HydrophobicContact CD2-CG1 3.69Å; L31-V77 HydrophobicContact CG-CG1 4.48Å; L31-V77 PolarHBondContact N-O 3.09Å; I55-V77 HydrophobicContact CD1-CG1 4.16Å; I55-V77 HydrophobicContact CG1-CG1 4.09Å; K73-V77 PolarHBondContact O-N 3.38Å; T74-V77 PolarHBondContact O-N 3.09Å; V77-L85 HydrophobicContact CG1-CD1 3.53Å; V77-L85 HydrophobicContact CG1-CD2 3.83Å; V77-L85 HydrophobicContact CG1-CG 3.65Å; V77-L87 HydrophobicContact CG2-CD1 3.86Å |
| 78 | F | 97.7 | Very high | 93.3 | Very high | 44 Ų | 44 | 33.6 Ų | 33.6 | 19% | 0.193 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 156.5 | -169.7 | -56.3 | -81.2 | 0 | 0 | 0 | 112.9 | V7 C26 G29 D30 Q75 N76 L85 K86 | V7-F78 HydrophobicContact CG2-CD2 3.78Å; V7-F78 HydrophobicContact CG2-CE2 4.48Å; C26-F78 HydrophobicContact CB-CB 3.52Å; C26-F78 HydrophobicContact CB-CG 4.31Å; G29-F78 CarbonylContact O-C 3.56Å; G29-F78 WeakPolarHBondContact O-CA 3.46Å; D30-F78 HydrophobicContact CB-CD1 4.05Å; D30-F78 HydrophobicContact CB-CE1 4.11Å; Q75-F78 WeakPolarHBondContact O-CE1 3.24Å; Q75-F78 WeakPolarHBondContact O-CZ 3.43Å; N76-F78 VanDerWaalsContact C-CE2 3.5Å; N76-F78 WeakPolarHBondContact O-CD2 3.36Å; N76-F78 WeakPolarHBondContact O-CE2 3.37Å; F78-L85 CarbonylContact O-C 3.58Å; F78-L85 VanDerWaalsContact O-CA 3.31Å; F78-L85 WeakPolarHBondContact O-CA 2.95Å; F78-K86 PolarHBondContact N-O 3.13Å; F78-K86 PolarHBondContact O-N 3.08Å |
| 79 | L | 97.6 | Very high | 93 | Very high | 10 Ų | 10 | 35.2 Ų | 35.2 | 5% | 0.052 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 146.9 | -179.6 | -67.7 | 169 | 0 | 0 | 0 | 110.6 | C26 Q28 G29 K34 Y51 L85 | C26-L79 CarbonylContact C-O 3.51Å; C26-L79 WeakPolarHBondContact CB-O 3.25Å; Q28-L79 HydrophobicContact CB-CB 3.76Å; Q28-L79 WeakPolarHBondContact CB-O 3.42Å; Q28-L79 PolarHBondContact N-O 3.29Å; G29-L79 PolarHBondContact O-N 2.9Å; K34-L79 HydrophobicContact CB-CD1 3.83Å; K34-L79 HydrophobicContact CD-CD1 4.26Å; K34-L79 HydrophobicContact CG-CD1 3.77Å; Y51-L79 HydrophobicContact CD1-CD2 4.38Å; Y51-L79 HydrophobicContact CE1-CD2 3.82Å; Y51-L79 HydrophobicContact CE2-CD1 4.48Å; Y51-L79 HydrophobicContact CE2-CD2 4.35Å; L79-L85 HydrophobicContact CD2-CB 4.03Å; L79-L85 HydrophobicContact CD2-CD1 4.36Å; L79-L85 HydrophobicContact CD2-CG 4.4Å |
| 80 | T | 95.9 | Very high | 92 | Very high | 15 Ų | 15 | 38.4 Ų | 38.4 | 9% | 0.092 | 20% | 0.195 | C | C | . | . | trans | -117.6 | 154.7 | 175 | 60.6 | 0 | 0 | 0 | 0 | 111 | C26 D27 K82 G83 R84 K86 | C26-T80 HydrophobicContact CB-CG2 4.28Å; D27-T80 VanDerWaalsContact OD1-CA 3.22Å; D27-T80 WeakPolarHBondContact OD1-CA 3.43Å; T80-K82 PolarHBondContact O-N 3.47Å; T80-K82 VanDerWaalsContact O-N 3.13Å; T80-G83 PolarHBondContact O-N 2.92Å; T80-R84 PolarHBondContact N-O 3.35Å; T80-R84 WeakPolarHBondContact OG1-CB 3.45Å; T80-R84 PolarHBondContact OG1-N 3.33Å; T80-R84 VanDerWaalsContact OG1-N 3.16Å; T80-R84 PolarHBondContact OG1-O 2.81Å; T80-K86 HydrophobicContact CG2-CD 4.15Å | ||
| 81 | S | 91.7 | Very high | 90.6 | Very high | 74 Ų | 74 | 36.8 Ų | 36.8 | 52% | 0.517 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -25.7 | 174.4 | 50.4 | 0 | 0 | 0 | 0 | 113.1 | D27 G83 | D27-S81 PolarHBondContact OD1-N 3.31Å; D27-S81 PolarHBondContact OD1-OG 3.07Å; D27-S81 WeakPolarHBondContact OD2-CB 3.48Å; D27-S81 PolarHBondContact OD2-OG 3.07Å; S81-G83 PolarHBondContact O-N 3.11Å |
| 82 | K | 90 | Very high | 88.7 | Confident | 181 Ų | 181 | 39.4 Ų | 39.4 | 79% | 0.787 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | 9.2 | 174.3 | -60.9 | 175.9 | -176.2 | 171 | 0 | 113.8 | T80 R84 | T80-K82 PolarHBondContact O-N 3.47Å; T80-K82 VanDerWaalsContact O-N 3.13Å; K82-R84 PolarHBondContact O-N 3.47Å |
| 83 | G | 86.4 | Confident | 86.4 | Confident | 46 Ų | 46 | 42.4 Ų | 42.4 | 47% | 0.474 | 24% | 0.236 | S | C | . | . | S | Bend | trans | 69.5 | 8.6 | -180 | 0 | 0 | 0 | 0 | 0 | 114.7 | T80 S81 | T80-G83 PolarHBondContact O-N 2.92Å; S81-G83 PolarHBondContact O-N 3.11Å |
| 84 | R | 94.1 | Very high | 83.7 | Confident | 59 Ų | 59 | 47 Ų | 47 | 22% | 0.223 | 26% | 0.256 | C | S | . | . | trans | -85 | 132.9 | 174.7 | -58.5 | -58.5 | -58 | -128.4 | 1.5 | 109.8 | N5 T80 K82 Y208 | N5-R84 VanDerWaalsContact CG-NH2 3.3Å; N5-R84 PolarHBondContact ND2-NH2 3.03Å; N5-R84 PolarHBondContact OD1-NH2 3.09Å; T80-R84 PolarHBondContact N-O 3.35Å; T80-R84 WeakPolarHBondContact OG1-CB 3.45Å; T80-R84 PolarHBondContact OG1-N 3.33Å; T80-R84 VanDerWaalsContact OG1-N 3.16Å; T80-R84 PolarHBondContact OG1-O 2.81Å; K82-R84 PolarHBondContact O-N 3.47Å; R84-Y208 PolarHBondContact NH1-O 3.23Å; R84-Y208 PolarHBondContact NH2-O 3.34Å | ||
| 85 | L | 97.3 | Very high | 80.8 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 140.2 | 167.6 | 175 | 155.6 | 0 | 0 | 0 | 109.3 | N5 Y51 Q54 I55 V77 F78 L79 | N5-L85 WeakPolarHBondContact CA-O 3.32Å; N5-L85 WeakPolarHBondContact CB-O 3.49Å; N5-L85 PolarHBondContact ND2-O 3.49Å; Y51-L85 HydrophobicContact CD1-CD1 4.26Å; Y51-L85 HydrophobicContact CG-CD1 3.96Å; Q54-L85 HydrophobicContact CB-CB 4.03Å; Q54-L85 HydrophobicContact CB-CD2 3.87Å; Q54-L85 HydrophobicContact CB-CG 4.47Å; I55-L85 HydrophobicContact CB-CD2 4.41Å; I55-L85 HydrophobicContact CD1-CD1 4.26Å; I55-L85 HydrophobicContact CG1-CD1 3.9Å; I55-L85 HydrophobicContact CG1-CD2 3.5Å; I55-L85 HydrophobicContact CG1-CG 4.37Å; V77-L85 HydrophobicContact CG1-CD1 3.53Å; V77-L85 HydrophobicContact CG1-CD2 3.83Å; V77-L85 HydrophobicContact CG1-CG 3.65Å; F78-L85 CarbonylContact O-C 3.58Å; F78-L85 VanDerWaalsContact O-CA 3.31Å; F78-L85 WeakPolarHBondContact O-CA 2.95Å; L79-L85 HydrophobicContact CD2-CB 4.03Å; L79-L85 HydrophobicContact CD2-CD1 4.36Å; L79-L85 HydrophobicContact CD2-CG 4.4Å |
| 86 | K | 96.7 | Very high | 78.2 | Confident | 18 Ų | 18 | 50 Ų | 50 | 8% | 0.078 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 123.1 | -178.9 | -78.6 | 169.9 | 168.7 | -90.1 | 0 | 111.4 | P4 N5 I6 V7 E24 F78 T80 | P4-K86 WeakPolarHBondContact O-CE 3.03Å; P4-K86 PolarHBondContact O-NZ 3.37Å; N5-K86 WeakPolarHBondContact O-CA 3.32Å; I6-K86 PolarHBondContact O-NZ 3.44Å; V7-K86 HydrophobicContact CG2-CB 3.79Å; E24-K86 VanDerWaalsContact CD-NZ 3.32Å; E24-K86 WeakPolarHBondContact OE1-CE 3.32Å; E24-K86 IonicContact OE1-NZ 3.28Å; E24-K86 PolarHBondContact OE1-NZ 3.38Å; E24-K86 WeakPolarHBondContact OE2-CE 3.31Å; E24-K86 IonicContact OE2-NZ 2.89Å; E24-K86 PolarHBondContact OE2-NZ 3.08Å; F78-K86 PolarHBondContact N-O 3.13Å; F78-K86 PolarHBondContact O-N 3.08Å; T80-K86 HydrophobicContact CG2-CD 4.15Å |
| 87 | L | 96.1 | Very high | 75.8 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 123.7 | 168.9 | -176.4 | 63.2 | 0 | 0 | 0 | 109 | N5 I6 V7 A58 I62 V77 | N5-L87 PolarHBondContact O-N 3.38Å; I6-L87 WeakPolarHBondContact CA-O 3.45Å; V7-L87 PolarHBondContact N-O 2.96Å; A58-L87 HydrophobicContact CB-CB 3.88Å; A58-L87 HydrophobicContact CB-CD2 4.14Å; I62-L87 HydrophobicContact CD1-CD2 3.71Å; V77-L87 HydrophobicContact CG2-CD1 3.86Å |
| 88 | G | 92.7 | Very high | 73.7 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 32% | 0.319 | C | S | . | . | trans | -117.2 | -172.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | H69 N76 | H69-G88 PolarHBondContact CE1-O 2.84Å; H69-G88 PolarHBondContact NE2-O 3.21Å; N76-G88 PolarHBondContact O-N 2.91Å | ||
| 89 | D | 80.7 | Confident | 71.4 | Confident | 71 Ų | 71 | 61.5 Ų | 61.5 | 38% | 0.38 | 34% | 0.342 | S | S | . | . | trans | 47.1 | 70 | -179.4 | -69.6 | -20.1 | 0 | 0 | 0 | 114.5 | H69 N76 G91 | H69-D89 PolarHBondContact CE1-O 3.12Å; N76-D89 HydrophobicContact CB-CB 4.37Å; D89-G91 PolarHBondContact O-N 3.08Å | ||
| 90 | F | 67.6 | Low | 69.2 | Low | 67 Ų | 67 | 66.3 Ų | 66.3 | 29% | 0.294 | 37% | 0.367 | S | S | . | . | trans | -58.8 | 91.1 | 160.4 | -68.9 | -77.6 | 0 | 0 | 0 | 109.6 | M1 I6 I62 H69 I92 | M1-F90 HydrophobicContact CE-CD1 4.5Å; M1-F90 HydrophobicContact CE-CE1 3.59Å; M1-F90 HydrophobicContact CE-CE2 4.49Å; M1-F90 HydrophobicContact CE-CZ 3.62Å; I6-F90 HydrophobicContact CD1-CZ 4.08Å; I6-F90 HydrophobicContact CG1-CZ 4.39Å; I6-F90 HydrophobicContact CG2-CE2 3.41Å; I6-F90 VanDerWaalsContact CG2-CE2 3.41Å; I6-F90 HydrophobicContact CG2-CZ 3.46Å; I6-F90 VanDerWaalsContact CG2-CZ 3.46Å; I62-F90 HydrophobicContact CD1-CE1 3.59Å; I62-F90 HydrophobicContact CD1-CZ 4.06Å; I62-F90 HydrophobicContact CG1-CE1 3.83Å; I62-F90 HydrophobicContact CG1-CZ 4.43Å; H69-F90 AromaticContact CD2-CD1 3.7Å; H69-F90 AromaticContact CD2-CE1 3.53Å; H69-F90 AromaticContact NE2-CD1 3.89Å; H69-F90 AromaticContact NE2-CE1 3.81Å; F90-I92 PolarHBondContact O-N 2.93Å | ||
| 91 | G | 57.2 | Low | 67.2 | Low | 28 Ų | 28 | 67.3 Ų | 67.3 | 29% | 0.289 | 37% | 0.372 | S | S | . | . | trans | -50.9 | 102.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | D89 A93 | D89-G91 PolarHBondContact O-N 3.08Å; G91-A93 PolarHBondContact O-N 3.1Å; G91-A93 VanDerWaalsContact O-N 3.11Å | ||
| 92 | I | 49.2 | Very low | 65.3 | Low | 113 Ų | 113 | 65.8 Ų | 65.8 | 58% | 0.579 | 36% | 0.358 | S | S | * | . | trans | -44 | 124 | -170.6 | -58.6 | 171.3 | 0 | 0 | 0 | 107.2 | F90 K94 | F90-I92 PolarHBondContact O-N 2.93Å; I92-K94 WeakPolarHBondContact O-CG 3.36Å; I92-K94 PolarHBondContact O-N 2.82Å | ||
| 93 | A | 45.4 | Very low | 63.3 | Low | 65 Ų | 65 | 59.7 Ų | 59.7 | 54% | 0.537 | 34% | 0.341 | S | S | . | . | trans | -72.9 | 45.4 | -160.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | G91 V95 | G91-A93 PolarHBondContact O-N 3.1Å; G91-A93 VanDerWaalsContact O-N 3.11Å; A93-V95 PolarHBondContact O-N 2.98Å | ||
| 94 | K | 38.3 | Very low | 61.5 | Low | 133 Ų | 133 | 65.7 Ų | 65.7 | 58% | 0.578 | 35% | 0.349 | S | S | * | . | trans | -44.5 | 122.5 | 167.6 | -66.9 | 179.2 | 178.7 | -175.5 | 0 | 108.5 | R70 I92 L96 | R70-K94 PolarHBondContact NH1-O 3.3Å; I92-K94 WeakPolarHBondContact O-CG 3.36Å; I92-K94 PolarHBondContact O-N 2.82Å; K94-L96 PolarHBondContact O-N 3.25Å | ||
| 95 | V | 36.3 | Very low | 59.6 | Low | 91 Ų | 91 | 64.8 Ų | 64.8 | 55% | 0.552 | 35% | 0.35 | S | S | * | . | trans | -56.5 | 109.6 | 177.6 | 176.4 | 0 | 0 | 0 | 0 | 107.9 | A93 N97 F570 | A93-V95 PolarHBondContact O-N 2.98Å; V95-N97 PolarHBondContact O-N 3.31Å; V95-N97 VanDerWaalsContact O-N 3.07Å; V95-F570 HydrophobicContact CB-CE2 4.47Å; V95-F570 HydrophobicContact CG2-CE2 3.85Å; V95-F570 HydrophobicContact CG2-CZ 4.32Å | ||
| 96 | L | 39.6 | Very low | 57.2 | Low | 30 Ų | 30 | 67.2 Ų | 67.2 | 16% | 0.157 | 37% | 0.366 | C | S | . | . | trans | -62.8 | 112.8 | -172 | -66.2 | 166 | 0 | 0 | 0 | 108.7 | R70 K94 H98 D101 Y123 | R70-L96 HydrophobicContact CG-CD1 4.16Å; R70-L96 VanDerWaalsContact NE-CD1 3.33Å; K94-L96 PolarHBondContact O-N 3.25Å; L96-H98 PolarHBondContact O-N 3.26Å; L96-D101 WeakPolarHBondContact CA-OD2 3.05Å; L96-D101 WeakPolarHBondContact CB-OD2 3.29Å; L96-D101 HydrophobicContact CD2-CB 4Å; L96-D101 VanDerWaalsContact CD2-OD1 3.28Å; L96-D101 WeakPolarHBondContact CD2-OD1 3.22Å; L96-D101 WeakPolarHBondContact CD2-OD2 3.48Å; L96-Y123 HydrophobicContact CD1-CD1 4.18Å; L96-Y123 HydrophobicContact CD1-CD2 3.64Å; L96-Y123 HydrophobicContact CD1-CG 3.45Å; L96-Y123 VanDerWaalsContact CD1-CG 3.45Å | ||
| 97 | N | 44.7 | Very low | 54.9 | Low | 106 Ų | 106 | 71.9 Ų | 71.9 | 57% | 0.567 | 39% | 0.391 | S | S | * | . | trans | -94.8 | 92.8 | 174.6 | -83 | -24.4 | 0 | 0 | 0 | 105.2 | V95 T99 L100 D101 | V95-N97 PolarHBondContact O-N 3.31Å; V95-N97 VanDerWaalsContact O-N 3.07Å; N97-T99 PolarHBondContact O-N 3.01Å; N97-L100 HydrophobicContact CB-CD1 4.37Å; N97-L100 PolarHBondContact O-N 2.96Å; N97-D101 PolarHBondContact N-OD2 3.19Å | ||
| 98 | H | 52.3 | Low | 53.4 | Low | 74 Ų | 74 | 73.7 Ų | 73.7 | 34% | 0.343 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -34.1 | -38 | -160 | -47.5 | -57.9 | 0 | 0 | 0 | 117.2 | L96 L102 | L96-H98 PolarHBondContact O-N 3.26Å; H98-L102 PolarHBondContact O-N 3.34Å |
| 99 | T | 50.5 | Low | 52.4 | Low | 111 Ų | 111 | 75.7 Ų | 75.7 | 68% | 0.681 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -71.9 | -38.6 | 178.3 | -36.2 | 0 | 0 | 0 | 0 | 114.7 | N97 A103 | N97-T99 PolarHBondContact O-N 3.01Å; T99-A103 PolarHBondContact O-N 3.2Å |
| 100 | L | 51.5 | Low | 52.7 | Low | 111 Ų | 111 | 72.9 Ų | 72.9 | 58% | 0.581 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -68.6 | -38 | 179.6 | -82.9 | 171.7 | 0 | 0 | 0 | 111.7 | N97 A103 R104 | N97-L100 HydrophobicContact CB-CD1 4.37Å; N97-L100 PolarHBondContact O-N 2.96Å; L100-A103 PolarHBondContact O-N 3.41Å; L100-R104 VanDerWaalsContact O-CB 3.23Å; L100-R104 WeakPolarHBondContact O-CB 3.4Å; L100-R104 PolarHBondContact O-N 3.47Å |
| 101 | D | 52.2 | Low | 53.9 | Low | 35 Ų | 35 | 71.8 Ų | 71.8 | 19% | 0.187 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -75.5 | -32.3 | -176.1 | -57.1 | -67.9 | 0 | 0 | 0 | 111.1 | L96 N97 R104 T105 | L96-D101 WeakPolarHBondContact CA-OD2 3.05Å; L96-D101 WeakPolarHBondContact CB-OD2 3.29Å; L96-D101 HydrophobicContact CD2-CB 4Å; L96-D101 VanDerWaalsContact CD2-OD1 3.28Å; L96-D101 WeakPolarHBondContact CD2-OD1 3.22Å; L96-D101 WeakPolarHBondContact CD2-OD2 3.48Å; N97-D101 PolarHBondContact N-OD2 3.19Å; D101-R104 PolarHBondContact O-N 3.3Å; D101-T105 WeakPolarHBondContact O-CB 3.47Å; D101-T105 PolarHBondContact O-N 3.41Å; D101-T105 PolarHBondContact O-OG1 2.87Å; D101-T105 VanDerWaalsContact O-OG1 3.07Å |
| 102 | L | 52.5 | Low | 55.6 | Low | 43 Ų | 43 | 71.8 Ų | 71.8 | 23% | 0.225 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -60.7 | -51.7 | 169.6 | -156 | 82.4 | 0 | 0 | 0 | 111 | H98 R104 T105 C106 I117 | H98-L102 PolarHBondContact O-N 3.34Å; L102-R104 VanDerWaalsContact C-N 3.33Å; L102-R104 PolarHBondContact O-N 2.78Å; L102-T105 PolarHBondContact O-N 3.49Å; L102-T105 VanDerWaalsContact O-N 3.13Å; L102-C106 PolarHBondContact O-N 2.99Å; L102-C106 PolarHBondContact O-SG 3.35Å; L102-C106 VanDerWaalsContact O-SG 3.32Å; L102-I117 HydrophobicContact CD1-CG2 4.23Å |
| 103 | A | 47.8 | Very low | 57.6 | Low | 52 Ų | 52 | 67 Ų | 67 | 43% | 0.43 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.5 | -40.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | T99 L100 T105 C106 I107 | T99-A103 PolarHBondContact O-N 3.2Å; L100-A103 PolarHBondContact O-N 3.41Å; A103-T105 VanDerWaalsContact C-N 3.28Å; A103-T105 PolarHBondContact O-N 3.21Å; A103-C106 WeakPolarHBondContact O-CB 3.45Å; A103-C106 PolarHBondContact O-N 2.89Å; A103-I107 PolarHBondContact O-N 3.34Å |
| 104 | R | 49.7 | Very low | 59.9 | Low | 172 Ų | 172 | 64 Ų | 64 | 65% | 0.649 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -71.9 | -20.4 | 178 | -167.4 | 168.1 | -177.1 | -106.3 | -10 | 113.4 | L100 D101 L102 | L100-R104 VanDerWaalsContact O-CB 3.23Å; L100-R104 WeakPolarHBondContact O-CB 3.4Å; L100-R104 PolarHBondContact O-N 3.47Å; D101-R104 PolarHBondContact O-N 3.3Å; L102-R104 VanDerWaalsContact C-N 3.33Å; L102-R104 PolarHBondContact O-N 2.78Å |
| 105 | T | 52.8 | Low | 62.6 | Low | 41 Ų | 41 | 57.8 Ų | 57.8 | 25% | 0.252 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -86.9 | -23.1 | 169.3 | -60.2 | 0 | 0 | 0 | 0 | 112.6 | D101 L102 A103 I107 G108 P110 L113 | D101-T105 WeakPolarHBondContact O-CB 3.47Å; D101-T105 PolarHBondContact O-N 3.41Å; D101-T105 PolarHBondContact O-OG1 2.87Å; D101-T105 VanDerWaalsContact O-OG1 3.07Å; L102-T105 PolarHBondContact O-N 3.49Å; L102-T105 VanDerWaalsContact O-N 3.13Å; A103-T105 VanDerWaalsContact C-N 3.28Å; A103-T105 PolarHBondContact O-N 3.21Å; T105-I107 VanDerWaalsContact C-N 3.26Å; T105-I107 PolarHBondContact O-N 2.79Å; T105-G108 CarbonylContact O-C 3.43Å; T105-G108 PolarHBondContact O-N 3.02Å; T105-G108 VanDerWaalsContact O-N 3.12Å; T105-P110 HydrophobicContact CG2-CB 4.41Å; T105-L113 HydrophobicContact CG2-CD1 3.85Å; T105-L113 HydrophobicContact CG2-CD2 3.71Å; T105-L113 HydrophobicContact CG2-CG 3.61Å |
| 106 | C | 47.2 | Very low | 65.3 | Low | 50 Ų | 50 | 53.6 Ų | 53.6 | 34% | 0.338 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64 | -31.7 | 167 | -62.7 | 0 | 0 | 0 | 0 | 112.4 | L102 A103 G108 M151 | L102-C106 PolarHBondContact O-N 2.99Å; L102-C106 PolarHBondContact O-SG 3.35Å; L102-C106 VanDerWaalsContact O-SG 3.32Å; A103-C106 WeakPolarHBondContact O-CB 3.45Å; A103-C106 PolarHBondContact O-N 2.89Å; C106-G108 PolarHBondContact O-N 2.85Å; C106-M151 HydrophobicContact CB-CE 4.24Å |
| 107 | I | 49.5 | Very low | 67.7 | Low | 116 Ų | 116 | 53 Ų | 53 | 60% | 0.595 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | 8.4 | 174.9 | -54.3 | 159.9 | 0 | 0 | 0 | 111.4 | A103 T105 | A103-I107 PolarHBondContact O-N 3.34Å; T105-I107 VanDerWaalsContact C-N 3.26Å; T105-I107 PolarHBondContact O-N 2.79Å |
| 108 | G | 63.2 | Low | 69.8 | Low | 39 Ų | 39 | 48.6 Ų | 48.6 | 40% | 0.402 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -139.5 | -168.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | T105 C106 P110 | T105-G108 CarbonylContact O-C 3.43Å; T105-G108 PolarHBondContact O-N 3.02Å; T105-G108 VanDerWaalsContact O-N 3.12Å; C106-G108 PolarHBondContact O-N 2.85Å; G108-P110 WeakPolarHBondContact O-CD 3.45Å |
| 109 | T | 72.1 | Confident | 71.5 | Confident | 41 Ų | 41 | 49.1 Ų | 49.1 | 25% | 0.252 | 27% | 0.269 | S | S | . | . | trans | -73.9 | 108.4 | -179.2 | -48.1 | 0 | 0 | 0 | 0 | 111 | Y111 Y112 | T109-Y111 HydrophobicContact CG2-CD2 3.38Å; T109-Y111 HydrophobicContact CG2-CE2 3.91Å; T109-Y111 HydrophobicContact CG2-CG 4.24Å; T109-Y111 PolarHBondContact O-N 2.86Å; T109-Y112 HydrophobicContact CG2-CD2 4.27Å; T109-Y112 HydrophobicContact CG2-CE2 3.9Å | ||
| 110 | P | 87 | Confident | 73.1 | Confident | 13 Ų | 13 | 47.6 Ų | 47.6 | 8% | 0.084 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -83.4 | -11.7 | -169.1 | 34.2 | -35.1 | 0 | 0 | 0 | 114 | T105 G108 Y112 L113 M151 L154 | T105-P110 HydrophobicContact CG2-CB 4.41Å; G108-P110 WeakPolarHBondContact O-CD 3.45Å; P110-Y112 PolarHBondContact O-N 2.94Å; P110-L113 HydrophobicContact CB-CD1 4.29Å; P110-L113 WeakPolarHBondContact O-CB 3.44Å; P110-L113 WeakPolarHBondContact O-CG 3.49Å; P110-L113 PolarHBondContact O-N 3.28Å; P110-M151 HydrophobicContact CB-CE 3.72Å; P110-M151 HydrophobicContact CB-SD 3.81Å; P110-M151 HydrophobicContact CG-CE 3.84Å; P110-M151 HydrophobicContact CG-SD 4.35Å; P110-L154 HydrophobicContact CB-CD2 3.63Å; P110-L154 HydrophobicContact CG-CD2 3.38Å |
| 111 | Y | 92.4 | Very high | 74.7 | Confident | 44 Ų | 44 | 46.8 Ų | 46.8 | 17% | 0.173 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -62.9 | -7.5 | -171.3 | -47.7 | -50.4 | 0 | 0 | 0 | 115.3 | T109 C134 H144 F146 L154 E1583 | T109-Y111 HydrophobicContact CG2-CD2 3.38Å; T109-Y111 HydrophobicContact CG2-CE2 3.91Å; T109-Y111 HydrophobicContact CG2-CG 4.24Å; T109-Y111 PolarHBondContact O-N 2.86Å; Y111-C134 PolarHBondContact O-SG 3Å; Y111-H144 HydrophobicContact CD1-CB 4.41Å; Y111-H144 HydrophobicContact CD2-CB 4.37Å; Y111-H144 AromaticContact CD2-CD2 3.26Å; Y111-H144 WeakPolarHBondContact CD2-CD2 3.29Å; Y111-H144 AromaticContact CD2-CE1 3.77Å; Y111-H144 AromaticContact CD2-CG 3.59Å; Y111-H144 AromaticContact CD2-ND1 3.87Å; Y111-H144 AromaticContact CD2-NE2 3.41Å; Y111-H144 WeakPolarHBondContact CD2-NE2 3.26Å; Y111-H144 AromaticContact CE2-CD2 3.63Å; Y111-H144 AromaticContact CE2-NE2 3.82Å; Y111-H144 HydrophobicContact CG-CB 3.99Å; Y111-H144 AromaticContact CG-CD2 3.79Å; Y111-H144 AromaticContact CG-CG 3.67Å; Y111-F146 WeakPolarHBondContact CD1-O 3.14Å; Y111-L154 HydrophobicContact CD1-CD2 4Å; Y111-L154 HydrophobicContact CE1-CD2 4.17Å; Y111-E1583 PolarHBondContact OH-OE2 2.94Å; Y111-E1583 VanDerWaalsContact OH-OE2 3.09Å |
| 112 | Y | 93.6 | Very high | 75.9 | Confident | 27 Ų | 27 | 49.4 Ų | 49.4 | 11% | 0.106 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -103.3 | -4.1 | 177.5 | -57 | -78.4 | 0 | 0 | 0 | 114.2 | I72 K73 T74 T109 P110 S114 C134 V135 E138 | I72-Y112 WeakPolarHBondContact O-CD1 3.48Å; K73-Y112 HydrophobicContact CB-CD1 4.14Å; K73-Y112 HydrophobicContact CB-CD2 3.64Å; K73-Y112 HydrophobicContact CB-CE1 3.87Å; K73-Y112 HydrophobicContact CB-CE2 3.29Å; K73-Y112 HydrophobicContact CB-CG 4.05Å; K73-Y112 VanDerWaalsContact CB-CZ 3.44Å; T74-Y112 PolarHBondContact N-OH 3.33Å; T74-Y112 PolarHBondContact OG1-OH 3.39Å; T109-Y112 HydrophobicContact CG2-CD2 4.27Å; T109-Y112 HydrophobicContact CG2-CE2 3.9Å; P110-Y112 PolarHBondContact O-N 2.94Å; Y112-S114 PolarHBondContact O-N 3.11Å; Y112-C134 HydrophobicContact CD1-CB 3.57Å; Y112-C134 HydrophobicContact CE1-CB 3.68Å; Y112-V135 HydrophobicContact CE1-CG2 3.95Å; Y112-E138 WeakPolarHBondContact CE1-OE1 3.39Å; Y112-E138 PolarHBondContact OH-OE1 3.12Å; Y112-E138 PolarHBondContact OH-OE2 2.9Å |
| 113 | L | 92.1 | Very high | 77.4 | Confident | 13 Ų | 13 | 49.2 Ų | 49.2 | 7% | 0.068 | 26% | 0.264 | C | S | . | . | trans | -58.7 | 135.1 | 176.1 | -76.4 | 173.1 | 0 | 0 | 0 | 111 | T105 P110 I117 W130 I158 | T105-L113 HydrophobicContact CG2-CD1 3.85Å; T105-L113 HydrophobicContact CG2-CD2 3.71Å; T105-L113 HydrophobicContact CG2-CG 3.61Å; P110-L113 HydrophobicContact CB-CD1 4.29Å; P110-L113 WeakPolarHBondContact O-CB 3.44Å; P110-L113 WeakPolarHBondContact O-CG 3.49Å; P110-L113 PolarHBondContact O-N 3.28Å; L113-I117 HydrophobicContact CD2-CB 4.38Å; L113-I117 HydrophobicContact CD2-CG2 3.82Å; L113-W130 PolarHBondContact O-NE1 2.98Å; L113-I158 HydrophobicContact CB-CD1 3.96Å; L113-I158 WeakPolarHBondContact O-CG2 3.25Å | ||
| 114 | S | 93.7 | Very high | 79.2 | Confident | 3 Ų | 3 | 49.4 Ų | 49.4 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | trans | -100.1 | 154.5 | 175.7 | 64.4 | 0 | 0 | 0 | 0 | 112 | Y112 E116 I117 C118 W130 | Y112-S114 PolarHBondContact O-N 3.11Å; S114-E116 VanDerWaalsContact CB-OE1 3.26Å; S114-E116 WeakPolarHBondContact CB-OE1 3.42Å; S114-E116 PolarHBondContact O-N 2.89Å; S114-E116 VanDerWaalsContact O-N 3.15Å; S114-E116 PolarHBondContact OG-OE1 2.81Å; S114-E116 PolarHBondContact OG-OE2 3.06Å; S114-I117 PolarHBondContact O-N 3.18Å; S114-I117 WeakPolarHBondContact OG-CG1 3.48Å; S114-C118 PolarHBondContact O-N 2.97Å; S114-C118 VanDerWaalsContact O-N 3.11Å; S114-W130 VanDerWaalsContact CB-CD1 3.47Å; S114-W130 VanDerWaalsContact CB-CG 3.44Å | ||
| 115 | P | 94.7 | Very high | 81.2 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -52.7 | -40.6 | -174.2 | -29.3 | 35.6 | 0 | 0 | 0 | 113.6 | I117 C118 E119 W130 I158 | P115-I117 VanDerWaalsContact C-N 3.3Å; P115-I117 PolarHBondContact O-N 3.21Å; P115-C118 WeakPolarHBondContact O-CB 3.13Å; P115-C118 PolarHBondContact O-N 2.87Å; P115-E119 WeakPolarHBondContact O-CB 3.32Å; P115-E119 VanDerWaalsContact O-CG 3.27Å; P115-E119 WeakPolarHBondContact O-CG 3.32Å; P115-E119 PolarHBondContact O-N 3.3Å; P115-W130 HydrophobicContact CG-CE3 4.15Å; P115-W130 HydrophobicContact CG-CH2 3.52Å; P115-W130 HydrophobicContact CG-CZ2 3.99Å; P115-W130 HydrophobicContact CG-CZ3 3.6Å; P115-I158 HydrophobicContact CG-CG2 4.06Å |
| 116 | E | 93 | Very high | 83.2 | Confident | 4 Ų | 4 | 42.6 Ų | 42.6 | 2% | 0.019 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.6 | -31.4 | 178.8 | 66.4 | -80.1 | -173 | 0 | 0 | 113 | S114 N120 K121 S127 P186 R189 | S114-E116 VanDerWaalsContact CB-OE1 3.26Å; S114-E116 WeakPolarHBondContact CB-OE1 3.42Å; S114-E116 PolarHBondContact O-N 2.89Å; S114-E116 VanDerWaalsContact O-N 3.15Å; S114-E116 PolarHBondContact OG-OE1 2.81Å; S114-E116 PolarHBondContact OG-OE2 3.06Å; E116-N120 PolarHBondContact O-N 2.64Å; E116-K121 HydrophobicContact CB-CB 4.06Å; E116-K121 HydrophobicContact CB-CD 4.25Å; E116-K121 WeakPolarHBondContact O-CA 3.4Å; E116-K121 VanDerWaalsContact O-CB 3.24Å; E116-K121 WeakPolarHBondContact O-CB 3.39Å; E116-K121 PolarHBondContact O-N 2.76Å; E116-S127 VanDerWaalsContact OE1-CA 3.24Å; E116-S127 WeakPolarHBondContact OE1-CA 3.41Å; E116-S127 WeakPolarHBondContact OE1-CB 3.45Å; E116-S127 PolarHBondContact OE1-OG 2.97Å; E116-P186 HydrophobicContact CB-CG 4Å; E116-P186 HydrophobicContact CG-CG 3.9Å; E116-R189 IonicContact OE1-CZ 3.21Å; E116-R189 IonicContact OE1-NH1 3.82Å; E116-R189 PolarHBondContact OE1-NH1 3.46Å; E116-R189 IonicContact OE1-NH2 3.69Å; E116-R189 IonicContact OE2-CZ 2.79Å; E116-R189 IonicContact OE2-NH1 3Å; E116-R189 PolarHBondContact OE2-NH1 3.49Å; E116-R189 IonicContact OE2-NH2 3.27Å; E116-R189 PolarHBondContact OE2-NH2 3.14Å |
| 117 | I | 89.1 | Confident | 85.4 | Confident | 17 Ų | 17 | 40.3 Ų | 40.3 | 9% | 0.087 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -76.2 | -43.9 | 175.4 | -54.7 | -52.9 | 0 | 0 | 0 | 110.5 | L102 L113 S114 P115 E119 N120 Y123 | L102-I117 HydrophobicContact CD1-CG2 4.23Å; L113-I117 HydrophobicContact CD2-CB 4.38Å; L113-I117 HydrophobicContact CD2-CG2 3.82Å; S114-I117 PolarHBondContact O-N 3.18Å; S114-I117 WeakPolarHBondContact OG-CG1 3.48Å; P115-I117 VanDerWaalsContact C-N 3.3Å; P115-I117 PolarHBondContact O-N 3.21Å; I117-E119 PolarHBondContact O-N 3.33Å; I117-N120 PolarHBondContact O-N 3.1Å; I117-Y123 HydrophobicContact CD1-CD2 3.47Å; I117-Y123 VanDerWaalsContact CD1-CD2 3.47Å; I117-Y123 HydrophobicContact CD1-CE2 4.44Å; I117-Y123 HydrophobicContact CD1-CG 3.91Å; I117-Y123 HydrophobicContact CG1-CD2 3.83Å; I117-Y123 HydrophobicContact CG1-CE2 4.35Å |
| 118 | C | 89.2 | Confident | 87.5 | Confident | 13 Ų | 13 | 34.8 Ų | 34.8 | 9% | 0.088 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -55.1 | -35 | 170.8 | -67.1 | 0 | 0 | 0 | 0 | 112.6 | S114 P115 N120 V155 I159 | S114-C118 PolarHBondContact O-N 2.97Å; S114-C118 VanDerWaalsContact O-N 3.11Å; P115-C118 WeakPolarHBondContact O-CB 3.13Å; P115-C118 PolarHBondContact O-N 2.87Å; C118-N120 VanDerWaalsContact C-N 3.32Å; C118-N120 PolarHBondContact O-N 3.33Å; C118-V155 HydrophobicContact CB-CG1 4Å; C118-I159 HydrophobicContact CB-CD1 3.83Å; C118-I159 HydrophobicContact CB-CG1 3.66Å |
| 119 | E | 88.4 | Confident | 89.2 | Confident | 86 Ų | 86 | 32.9 Ų | 32.9 | 40% | 0.402 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | 12.1 | 175.7 | -65.3 | 175.6 | 93.3 | 0 | 0 | 114.2 | P115 I117 K121 I159 | P115-E119 WeakPolarHBondContact O-CB 3.32Å; P115-E119 VanDerWaalsContact O-CG 3.27Å; P115-E119 WeakPolarHBondContact O-CG 3.32Å; P115-E119 PolarHBondContact O-N 3.3Å; I117-E119 PolarHBondContact O-N 3.33Å; E119-K121 HydrophobicContact CB-CD 4.05Å; E119-K121 HydrophobicContact CB-CG 4.12Å; E119-K121 PolarHBondContact O-N 3.41Å; E119-K121 WeakPolarHBondContact OE1-CE 3.38Å; E119-K121 IonicContact OE1-NZ 3.4Å; E119-K121 PolarHBondContact OE1-NZ 2.97Å; E119-K121 WeakPolarHBondContact OE2-CE 3.18Å; E119-K121 IonicContact OE2-NZ 3.85Å; E119-K121 PolarHBondContact OE2-NZ 2.86Å; E119-I159 HydrophobicContact CG-CD1 4.09Å; E119-I159 HydrophobicContact CG-CG1 4.15Å |
| 120 | N | 83 | Confident | 90.4 | Very high | 79 Ų | 79 | 31 Ų | 31 | 42% | 0.422 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 29.8 | -177.6 | -79 | -81.8 | 0 | 0 | 0 | 115 | E116 I117 C118 | E116-N120 PolarHBondContact O-N 2.64Å; I117-N120 PolarHBondContact O-N 3.1Å; C118-N120 VanDerWaalsContact C-N 3.32Å; C118-N120 PolarHBondContact O-N 3.33Å |
| 121 | K | 85.5 | Confident | 90.9 | Very high | 94 Ų | 94 | 30.5 Ų | 30.5 | 41% | 0.409 | 15% | 0.152 | S | C | . | . | P | Polyproline II helix | trans | -89 | 166.4 | 173.2 | -55.8 | 169.2 | -174 | 164 | 0 | 110.1 | E116 E119 | E116-K121 HydrophobicContact CB-CB 4.06Å; E116-K121 HydrophobicContact CB-CD 4.25Å; E116-K121 WeakPolarHBondContact O-CA 3.4Å; E116-K121 VanDerWaalsContact O-CB 3.24Å; E116-K121 WeakPolarHBondContact O-CB 3.39Å; E116-K121 PolarHBondContact O-N 2.76Å; E119-K121 HydrophobicContact CB-CD 4.05Å; E119-K121 HydrophobicContact CB-CG 4.12Å; E119-K121 PolarHBondContact O-N 3.41Å; E119-K121 WeakPolarHBondContact OE1-CE 3.38Å; E119-K121 IonicContact OE1-NZ 3.4Å; E119-K121 PolarHBondContact OE1-NZ 2.97Å; E119-K121 WeakPolarHBondContact OE2-CE 3.18Å; E119-K121 IonicContact OE2-NZ 3.85Å; E119-K121 PolarHBondContact OE2-NZ 2.86Å |
| 122 | P | 78.2 | Confident | 91.2 | Very high | 89 Ų | 89 | 28.4 Ų | 28.4 | 58% | 0.578 | 14% | 0.144 | S | C | * | . | P | Polyproline II helix | trans | -67 | 135.4 | -179.7 | -21.8 | 34.7 | 0 | 0 | 0 | 113.5 | ||
| 123 | Y | 83.5 | Confident | 91.4 | Very high | 40 Ų | 40 | 27.1 Ų | 27.1 | 16% | 0.157 | 14% | 0.139 | C | C | . | . | P | Polyproline II helix | trans | -65 | 132.9 | 166.9 | -159.8 | -69.8 | 0 | 0 | 0 | 110.2 | L68 R70 L96 I117 S127 D128 | L68-Y123 HydrophobicContact CD1-CD1 4.08Å; R70-Y123 WeakPolarHBondContact CA-OH 3.31Å; R70-Y123 HydrophobicContact CG-CD1 4.05Å; R70-Y123 HydrophobicContact CG-CE1 3.64Å; R70-Y123 HydrophobicContact CG-CE2 4.24Å; L96-Y123 HydrophobicContact CD1-CD1 4.18Å; L96-Y123 HydrophobicContact CD1-CD2 3.64Å; L96-Y123 HydrophobicContact CD1-CG 3.45Å; L96-Y123 VanDerWaalsContact CD1-CG 3.45Å; I117-Y123 HydrophobicContact CD1-CD2 3.47Å; I117-Y123 VanDerWaalsContact CD1-CD2 3.47Å; I117-Y123 HydrophobicContact CD1-CE2 4.44Å; I117-Y123 HydrophobicContact CD1-CG 3.91Å; I117-Y123 HydrophobicContact CG1-CD2 3.83Å; I117-Y123 HydrophobicContact CG1-CE2 4.35Å; Y123-S127 VanDerWaalsContact CE1-CB 3.42Å; Y123-S127 VanDerWaalsContact CZ-CB 3.48Å; Y123-D128 PolarHBondContact OH-OD1 3.32Å |
| 124 | D | 85.8 | Confident | 91.7 | Very high | 56 Ų | 56 | 26.5 Ų | 26.5 | 30% | 0.299 | 14% | 0.135 | S | C | . | . | trans | -132.3 | -173.6 | 174.7 | 71.2 | 17.9 | 0 | 0 | 0 | 111.6 | L68 K126 S127 | L68-D124 VanDerWaalsContact CD2-C 3.45Å; D124-K126 PolarHBondContact O-N 2.93Å; D124-K126 VanDerWaalsContact OD1-CA 3.25Å; D124-K126 WeakPolarHBondContact OD1-CA 3.29Å; D124-K126 VanDerWaalsContact OD1-CB 3.25Å; D124-K126 WeakPolarHBondContact OD1-CB 3.37Å; D124-K126 PolarHBondContact OD1-N 3.1Å; D124-S127 PolarHBondContact N-OG 2.81Å; D124-S127 VanDerWaalsContact N-OG 3.13Å; D124-S127 VanDerWaalsContact O-CB 3.24Å; D124-S127 WeakPolarHBondContact O-CB 3.48Å; D124-S127 PolarHBondContact O-N 2.89Å; D124-S127 VanDerWaalsContact O-N 3.14Å; D124-S127 PolarHBondContact O-OG 2.88Å; D124-S127 PolarHBondContact OD1-N 2.64Å | ||
| 125 | H | 90.4 | Very high | 91.9 | Very high | 63 Ų | 63 | 26.3 Ų | 26.3 | 29% | 0.292 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -69.9 | -21.6 | 179.9 | 71.1 | -95.5 | 0 | 0 | 0 | 112.3 | H63 L68 S127 D128 I129 | H63-H125 PolarHBondContact CE1-O 3.46Å; L68-H125 HydrophobicContact CD2-CB 3.9Å; L68-H125 VanDerWaalsContact CD2-N 3.35Å; H125-S127 VanDerWaalsContact C-N 3.3Å; H125-D128 WeakPolarHBondContact O-CB 3.22Å; H125-D128 PolarHBondContact O-N 3.11Å; H125-I129 WeakPolarHBondContact O-CG1 3.27Å; H125-I129 PolarHBondContact O-N 2.62Å |
| 126 | K | 95.7 | Very high | 92.1 | Very high | 7 Ų | 7 | 26.3 Ų | 26.3 | 3% | 0.03 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -77.8 | -16.5 | 173.4 | -54.7 | -72.5 | -177.3 | 95.7 | 0 | 110.9 | D124 I129 W130 P186 R187 R189 D1154 | D124-K126 PolarHBondContact O-N 2.93Å; D124-K126 VanDerWaalsContact OD1-CA 3.25Å; D124-K126 WeakPolarHBondContact OD1-CA 3.29Å; D124-K126 VanDerWaalsContact OD1-CB 3.25Å; D124-K126 WeakPolarHBondContact OD1-CB 3.37Å; D124-K126 PolarHBondContact OD1-N 3.1Å; K126-I129 WeakPolarHBondContact O-CB 3.38Å; K126-I129 PolarHBondContact O-N 2.94Å; K126-W130 PolarHBondContact O-N 3.43Å; K126-P186 HydrophobicContact CB-CB 3.76Å; K126-P186 VanDerWaalsContact CB-O 3.29Å; K126-P186 WeakPolarHBondContact CB-O 3.38Å; K126-P186 HydrophobicContact CG-CB 4.48Å; K126-P186 VanDerWaalsContact CG-O 3.26Å; K126-P186 WeakPolarHBondContact CG-O 3.28Å; K126-R187 PolarHBondContact NZ-O 2.97Å; K126-R189 HydrophobicContact CD-CB 4.36Å; K126-R189 WeakPolarHBondContact CD-O 3.44Å; K126-R189 PolarHBondContact NZ-O 3.04Å; K126-R189 WeakPolarHBondContact O-CD 3.47Å; K126-R189 PolarHBondContact O-NH1 2.88Å; K126-D1154 IonicContact NZ-OD1 2.64Å; K126-D1154 PolarHBondContact NZ-OD1 3.3Å; K126-D1154 IonicContact NZ-OD2 3.88Å; K126-D1154 PolarHBondContact NZ-OD2 3.15Å |
| 127 | S | 93.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.007 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.8 | -43.1 | 165.5 | -50.8 | 0 | 0 | 0 | 0 | 112.1 | E116 Y123 D124 H125 I129 W130 A131 | E116-S127 VanDerWaalsContact OE1-CA 3.24Å; E116-S127 WeakPolarHBondContact OE1-CA 3.41Å; E116-S127 WeakPolarHBondContact OE1-CB 3.45Å; E116-S127 PolarHBondContact OE1-OG 2.97Å; Y123-S127 VanDerWaalsContact CE1-CB 3.42Å; Y123-S127 VanDerWaalsContact CZ-CB 3.48Å; D124-S127 PolarHBondContact N-OG 2.81Å; D124-S127 VanDerWaalsContact N-OG 3.13Å; D124-S127 VanDerWaalsContact O-CB 3.24Å; D124-S127 WeakPolarHBondContact O-CB 3.48Å; D124-S127 PolarHBondContact O-N 2.89Å; D124-S127 VanDerWaalsContact O-N 3.14Å; D124-S127 PolarHBondContact O-OG 2.88Å; D124-S127 PolarHBondContact OD1-N 2.64Å; H125-S127 VanDerWaalsContact C-N 3.3Å; S127-I129 PolarHBondContact O-N 2.91Å; S127-W130 WeakPolarHBondContact O-CB 3.48Å; S127-W130 PolarHBondContact O-N 3.48Å; S127-W130 VanDerWaalsContact O-N 3.07Å; S127-A131 PolarHBondContact O-N 2.94Å |
| 128 | D | 94.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.5 | -35.8 | 170.1 | -77.8 | -40.6 | 0 | 0 | 0 | 111.3 | L59 H63 L68 H69 R70 I72 Y123 H125 W130 A131 L132 | L59-D128 HydrophobicContact CD1-CB 4.23Å; L59-D128 HydrophobicContact CD2-CB 4.3Å; H63-D128 IonicContact CD2-OD2 4Å; H63-D128 IonicContact CE1-OD2 2.64Å; H63-D128 WeakPolarHBondContact NE2-CB 3.45Å; H63-D128 IonicContact NE2-OD2 2.87Å; H63-D128 PolarHBondContact NE2-OD2 3.05Å; L68-D128 WeakPolarHBondContact CA-OD2 3.28Å; H69-D128 PolarHBondContact N-OD1 2.96Å; H69-D128 PolarHBondContact N-OD2 3.23Å; R70-D128 PolarHBondContact N-OD1 3.42Å; I72-D128 HydrophobicContact CD1-CB 3.67Å; Y123-D128 PolarHBondContact OH-OD1 3.32Å; H125-D128 WeakPolarHBondContact O-CB 3.22Å; H125-D128 PolarHBondContact O-N 3.11Å; D128-W130 VanDerWaalsContact C-N 3.32Å; D128-W130 PolarHBondContact O-N 2.94Å; D128-A131 PolarHBondContact O-N 3.05Å; D128-L132 WeakPolarHBondContact O-CB 3.47Å; D128-L132 PolarHBondContact O-N 3.06Å |
| 129 | I | 98.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.7 | -30.7 | 176.2 | -60.5 | -60 | 0 | 0 | 0 | 112.6 | L59 H125 K126 S127 L132 G133 L181 R189 I192 I195 | L59-I129 HydrophobicContact CD2-CD1 4.09Å; H125-I129 WeakPolarHBondContact O-CG1 3.27Å; H125-I129 PolarHBondContact O-N 2.62Å; K126-I129 WeakPolarHBondContact O-CB 3.38Å; K126-I129 PolarHBondContact O-N 2.94Å; S127-I129 PolarHBondContact O-N 2.91Å; I129-L132 HydrophobicContact CD1-CD2 4.33Å; I129-G133 PolarHBondContact O-N 2.88Å; I129-G133 VanDerWaalsContact O-N 3.13Å; I129-L181 HydrophobicContact CG2-CD2 3.42Å; I129-L181 VanDerWaalsContact CG2-CD2 3.42Å; I129-R189 HydrophobicContact CG2-CB 4.03Å; I129-I192 HydrophobicContact CD1-CB 3.99Å; I129-I192 HydrophobicContact CD1-CD1 4.1Å; I129-I195 HydrophobicContact CD1-CD1 3.99Å; I129-I195 HydrophobicContact CG2-CD1 4.2Å |
| 130 | W | 98.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -70.3 | -45.9 | 174.1 | 175 | -81.7 | 0 | 0 | 0 | 111.4 | L113 S114 P115 K126 S127 D128 L132 G133 C134 F146 I158 F182 | L113-W130 PolarHBondContact O-NE1 2.98Å; S114-W130 VanDerWaalsContact CB-CD1 3.47Å; S114-W130 VanDerWaalsContact CB-CG 3.44Å; P115-W130 HydrophobicContact CG-CE3 4.15Å; P115-W130 HydrophobicContact CG-CH2 3.52Å; P115-W130 HydrophobicContact CG-CZ2 3.99Å; P115-W130 HydrophobicContact CG-CZ3 3.6Å; K126-W130 PolarHBondContact O-N 3.43Å; S127-W130 WeakPolarHBondContact O-CB 3.48Å; S127-W130 PolarHBondContact O-N 3.48Å; S127-W130 VanDerWaalsContact O-N 3.07Å; D128-W130 VanDerWaalsContact C-N 3.32Å; D128-W130 PolarHBondContact O-N 2.94Å; W130-L132 VanDerWaalsContact C-N 3.32Å; W130-L132 PolarHBondContact O-N 3.49Å; W130-G133 CarbonylContact O-C 3.54Å; W130-G133 WeakPolarHBondContact O-CA 3.42Å; W130-G133 PolarHBondContact O-N 3.26Å; W130-C134 PolarHBondContact O-N 3.22Å; W130-F146 AromaticContact CE2-CE2 3.91Å; W130-F146 HydrophobicContact CH2-CE1 4.4Å; W130-F146 AromaticContact CH2-CE2 3.95Å; W130-F146 HydrophobicContact CH2-CE2 3.95Å; W130-F146 AromaticContact CH2-CZ 3.58Å; W130-F146 HydrophobicContact CH2-CZ 3.58Å; W130-F146 HydrophobicContact CZ2-CD2 4.08Å; W130-F146 HydrophobicContact CZ2-CE1 4.28Å; W130-F146 AromaticContact CZ2-CE2 3.24Å; W130-F146 HydrophobicContact CZ2-CE2 3.24Å; W130-F146 AromaticContact CZ2-CZ 3.37Å; W130-F146 HydrophobicContact CZ2-CZ 3.37Å; W130-I158 HydrophobicContact CZ2-CG2 3.93Å; W130-F182 AromaticContact CD2-CD1 3.89Å; W130-F182 HydrophobicContact CD2-CD1 3.89Å; W130-F182 HydrophobicContact CD2-CE1 4.42Å; W130-F182 AromaticContact CE2-CD1 3.98Å; W130-F182 HydrophobicContact CE3-CB 4.44Å; W130-F182 AromaticContact CE3-CD1 3.9Å; W130-F182 HydrophobicContact CE3-CD1 3.9Å; W130-F182 HydrophobicContact CH2-CB 4.35Å; W130-F182 HydrophobicContact CH2-CD1 4.17Å; W130-F182 HydrophobicContact CZ2-CD1 4.14Å; W130-F182 HydrophobicContact CZ3-CB 3.99Å; W130-F182 HydrophobicContact CZ3-CD1 4.05Å; W130-F182 HydrophobicContact CZ3-CG 4.47Å |
| 131 | A | 96.5 | Very high | 94.5 | Very high | 3 Ų | 3 | 18.5 Ų | 18.5 | 3% | 0.025 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.6 | -37.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | I72 S127 D128 G133 C134 V135 | I72-A131 HydrophobicContact CB-CB 3.91Å; I72-A131 HydrophobicContact CG2-CB 4.34Å; S127-A131 PolarHBondContact O-N 2.94Å; D128-A131 PolarHBondContact O-N 3.05Å; A131-G133 PolarHBondContact O-N 3.44Å; A131-C134 WeakPolarHBondContact O-CB 3.39Å; A131-C134 PolarHBondContact O-N 3.49Å; A131-C134 VanDerWaalsContact O-N 3.15Å; A131-V135 PolarHBondContact O-N 3.38Å |
| 132 | L | 98.3 | Very high | 95 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -58.7 | -31.9 | 166.8 | 177.5 | 63.4 | 0 | 0 | 0 | 112.7 | F52 I55 L59 D128 I129 W130 L136 I192 I195 | F52-L132 HydrophobicContact CD2-CD1 4.06Å; F52-L132 HydrophobicContact CE2-CD1 3.45Å; F52-L132 VanDerWaalsContact CE2-CD1 3.45Å; F52-L132 HydrophobicContact CE2-CD2 4.21Å; F52-L132 HydrophobicContact CE2-CG 3.65Å; F52-L132 HydrophobicContact CZ-CD1 4.15Å; F52-L132 HydrophobicContact CZ-CD2 4.1Å; F52-L132 HydrophobicContact CZ-CG 4.02Å; I55-L132 HydrophobicContact CB-CD1 4.21Å; I55-L132 HydrophobicContact CG2-CD1 3.55Å; L59-L132 HydrophobicContact CD2-CB 4.45Å; L59-L132 HydrophobicContact CD2-CD2 3.9Å; D128-L132 WeakPolarHBondContact O-CB 3.47Å; D128-L132 PolarHBondContact O-N 3.06Å; I129-L132 HydrophobicContact CD1-CD2 4.33Å; W130-L132 VanDerWaalsContact C-N 3.32Å; W130-L132 PolarHBondContact O-N 3.49Å; L132-L136 PolarHBondContact O-N 2.93Å; L132-I192 HydrophobicContact CD2-CD1 3.7Å; L132-I195 HydrophobicContact CD2-CD1 4.15Å |
| 133 | G | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -64.8 | -44.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | I129 W130 A131 L136 Y137 F182 | I129-G133 PolarHBondContact O-N 2.88Å; I129-G133 VanDerWaalsContact O-N 3.13Å; W130-G133 CarbonylContact O-C 3.54Å; W130-G133 WeakPolarHBondContact O-CA 3.42Å; W130-G133 PolarHBondContact O-N 3.26Å; A131-G133 PolarHBondContact O-N 3.44Å; G133-L136 PolarHBondContact O-N 2.84Å; G133-Y137 WeakPolarHBondContact O-CB 3.33Å; G133-Y137 PolarHBondContact O-N 2.9Å; G133-F182 WeakPolarHBondContact O-CZ 3.25Å |
| 134 | C | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -59.6 | -47.5 | 173.6 | -62.6 | 0 | 0 | 0 | 0 | 111.3 | Y111 Y112 W130 A131 L136 Y137 E138 | Y111-C134 PolarHBondContact O-SG 3Å; Y112-C134 HydrophobicContact CD1-CB 3.57Å; Y112-C134 HydrophobicContact CE1-CB 3.68Å; W130-C134 PolarHBondContact O-N 3.22Å; A131-C134 WeakPolarHBondContact O-CB 3.39Å; A131-C134 PolarHBondContact O-N 3.49Å; A131-C134 VanDerWaalsContact O-N 3.15Å; C134-L136 VanDerWaalsContact C-N 3.32Å; C134-L136 PolarHBondContact O-N 3.31Å; C134-Y137 WeakPolarHBondContact O-CB 3.42Å; C134-Y137 PolarHBondContact O-N 3.19Å; C134-Y137 VanDerWaalsContact O-N 3.12Å; C134-E138 WeakPolarHBondContact O-CG 3.32Å; C134-E138 PolarHBondContact O-N 2.93Å |
| 135 | V | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -61.1 | -37.5 | 177.6 | 175 | 0 | 0 | 0 | 0 | 112.6 | L31 I55 I72 T74 Y112 A131 M139 | L31-V135 HydrophobicContact CD2-CG1 3.98Å; I55-V135 HydrophobicContact CD1-CG1 3.69Å; I72-V135 HydrophobicContact CG2-CG2 4.11Å; T74-V135 HydrophobicContact CG2-CB 4.3Å; T74-V135 HydrophobicContact CG2-CG1 3.91Å; T74-V135 HydrophobicContact CG2-CG2 4.13Å; Y112-V135 HydrophobicContact CE1-CG2 3.95Å; A131-V135 PolarHBondContact O-N 3.38Å; V135-M139 HydrophobicContact CG1-CE 4.31Å; V135-M139 WeakPolarHBondContact O-CG 3.43Å; V135-M139 PolarHBondContact O-N 3.45Å |
| 136 | L | 98.7 | Very high | 97.3 | Very high | 1 Ų | 1 | 11.1 Ų | 11.1 | 1% | 0.005 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -69.7 | -40.9 | 173.6 | 179.9 | 57.4 | 0 | 0 | 0 | 112.3 | I48 F52 L132 G133 C134 M139 T140 L177 I178 L181 | I48-L136 HydrophobicContact CG2-CD1 3.65Å; F52-L136 HydrophobicContact CB-CD1 4.29Å; F52-L136 HydrophobicContact CD2-CB 3.81Å; F52-L136 HydrophobicContact CD2-CD1 3.77Å; F52-L136 HydrophobicContact CD2-CD2 4.13Å; F52-L136 HydrophobicContact CD2-CG 4.09Å; F52-L136 HydrophobicContact CE1-CD2 4.36Å; F52-L136 HydrophobicContact CE2-CB 3.66Å; F52-L136 HydrophobicContact CE2-CD1 4.27Å; F52-L136 HydrophobicContact CE2-CD2 3.78Å; F52-L136 HydrophobicContact CE2-CG 4.09Å; F52-L136 HydrophobicContact CG-CD1 4Å; F52-L136 HydrophobicContact CZ-CD2 3.91Å; L132-L136 PolarHBondContact O-N 2.93Å; G133-L136 PolarHBondContact O-N 2.84Å; C134-L136 VanDerWaalsContact C-N 3.32Å; C134-L136 PolarHBondContact O-N 3.31Å; L136-M139 HydrophobicContact CD1-CE 4.25Å; L136-M139 PolarHBondContact O-N 2.71Å; L136-T140 PolarHBondContact O-N 3.5Å; L136-T140 PolarHBondContact O-OG1 3.27Å; L136-L177 HydrophobicContact CD2-CD2 3.71Å; L136-L177 HydrophobicContact CD2-CG 3.97Å; L136-I178 HydrophobicContact CD2-CD1 4.28Å; L136-I178 HydrophobicContact CD2-CG1 3.59Å; L136-I178 HydrophobicContact CG-CD1 4Å; L136-I178 HydrophobicContact CG-CG1 3.79Å; L136-L181 HydrophobicContact CD2-CD1 3.94Å |
| 137 | Y | 98.7 | Very high | 97.1 | Very high | 8 Ų | 8 | 14.6 Ų | 14.6 | 3% | 0.031 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -60.5 | -51.3 | 176.8 | -179.2 | -85 | 0 | 0 | 0 | 110.7 | G133 C134 M139 T140 T141 K143 H144 A145 Y163 P164 V166 I178 F182 | G133-Y137 WeakPolarHBondContact O-CB 3.33Å; G133-Y137 PolarHBondContact O-N 2.9Å; C134-Y137 WeakPolarHBondContact O-CB 3.42Å; C134-Y137 PolarHBondContact O-N 3.19Å; C134-Y137 VanDerWaalsContact O-N 3.12Å; Y137-M139 VanDerWaalsContact C-N 3.31Å; Y137-M139 PolarHBondContact O-N 3.37Å; Y137-T140 CarbonylContact O-C 3.59Å; Y137-T140 WeakPolarHBondContact O-CA 3.38Å; Y137-T140 PolarHBondContact O-N 2.84Å; Y137-T140 PolarHBondContact O-OG1 3.29Å; Y137-T141 HydrophobicContact CD1-CG2 4.14Å; Y137-T141 VanDerWaalsContact CD1-OG1 3.25Å; Y137-T141 WeakPolarHBondContact CD1-OG1 3.08Å; Y137-T141 HydrophobicContact CD2-CG2 4.18Å; Y137-T141 HydrophobicContact CE1-CG2 3.72Å; Y137-T141 WeakPolarHBondContact CE1-OG1 3.48Å; Y137-T141 HydrophobicContact CE2-CG2 3.78Å; Y137-T141 HydrophobicContact CG-CG2 4.36Å; Y137-T141 PolarHBondContact O-N 3.29Å; Y137-T141 PolarHBondContact O-OG1 3.19Å; Y137-K143 VanDerWaalsContact CD1-O 3.25Å; Y137-K143 WeakPolarHBondContact CD1-O 3.36Å; Y137-K143 WeakPolarHBondContact CE1-O 3.31Å; Y137-H144 VanDerWaalsContact CE1-C 3.44Å; Y137-H144 VanDerWaalsContact CE1-O 3.22Å; Y137-H144 WeakPolarHBondContact CE1-O 3.5Å; Y137-A145 HydrophobicContact CD1-CB 3.68Å; Y137-A145 HydrophobicContact CD2-CB 4.14Å; Y137-A145 VanDerWaalsContact CE1-CA 3.41Å; Y137-A145 HydrophobicContact CE1-CB 4.04Å; Y137-A145 HydrophobicContact CE2-CB 4.46Å; Y137-A145 HydrophobicContact CG-CB 3.73Å; Y137-Y163 HydrophobicContact CD2-CD2 4.19Å; Y137-Y163 AromaticContact CE2-CD2 3.84Å; Y137-Y163 HydrophobicContact CE2-CD2 3.84Å; Y137-Y163 HydrophobicContact CE2-CE2 4.5Å; Y137-P164 WeakPolarHBondContact CE2-O 3.28Å; Y137-P164 WeakPolarHBondContact OH-CD 3.26Å; Y137-P164 PolarHBondContact OH-O 3.12Å; Y137-V166 HydrophobicContact CD2-CG2 3.5Å; Y137-V166 VanDerWaalsContact CD2-CG2 3.5Å; Y137-V166 HydrophobicContact CE2-CG2 3.55Å; Y137-I178 HydrophobicContact CD2-CG2 4.32Å; Y137-F182 HydrophobicContact CD2-CE2 4.14Å; Y137-F182 HydrophobicContact CG-CE2 4.32Å |
| 138 | E | 98.2 | Very high | 97 | Very high | 3 Ų | 3 | 16.2 Ų | 16.2 | 1% | 0.014 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -54.9 | -42.5 | 177.7 | -74.4 | 164.8 | -130.3 | 0 | 0 | 112.5 | I35 T74 Y112 C134 T140 T141 L142 K143 H144 | I35-E138 HydrophobicContact CD1-CB 4.03Å; T74-E138 WeakPolarHBondContact CB-OE2 3.44Å; T74-E138 HydrophobicContact CG2-CB 4.24Å; T74-E138 WeakPolarHBondContact CG2-OE2 3.11Å; T74-E138 PolarHBondContact OG1-OE2 2.88Å; Y112-E138 WeakPolarHBondContact CE1-OE1 3.39Å; Y112-E138 PolarHBondContact OH-OE1 3.12Å; Y112-E138 PolarHBondContact OH-OE2 2.9Å; C134-E138 WeakPolarHBondContact O-CG 3.32Å; C134-E138 PolarHBondContact O-N 2.93Å; E138-T140 PolarHBondContact O-N 3.29Å; E138-T141 PolarHBondContact O-N 2.96Å; E138-L142 VanDerWaalsContact O-CA 3.28Å; E138-L142 WeakPolarHBondContact O-CA 3.33Å; E138-L142 PolarHBondContact O-N 3.08Å; E138-K143 WeakPolarHBondContact CA-O 3.41Å; E138-K143 VanDerWaalsContact CG-O 3.32Å; E138-K143 WeakPolarHBondContact CG-O 3.21Å; E138-H144 VanDerWaalsContact CD-CE1 3.49Å; E138-H144 IonicContact OE1-CE1 3.55Å; E138-H144 IonicContact OE1-ND1 3.01Å; E138-H144 PolarHBondContact OE1-ND1 3.4Å; E138-H144 IonicContact OE2-CE1 2.76Å; E138-H144 IonicContact OE2-ND1 3.78Å |
| 139 | M | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.7 | -26.2 | 174.1 | -75.5 | -170.2 | -69.5 | 0 | 0 | 113.7 | L31 I35 I48 Y51 F52 I55 V135 L136 Y137 | L31-M139 HydrophobicContact CD1-CG 4.26Å; L31-M139 HydrophobicContact CD1-SD 4.26Å; L31-M139 HydrophobicContact CD2-CG 4.07Å; L31-M139 HydrophobicContact CD2-SD 3.85Å; L31-M139 HydrophobicContact CG-CG 4.47Å; I35-M139 HydrophobicContact CD1-CG 4Å; I48-M139 WeakPolarHBondContact CD1-O 3.35Å; I48-M139 HydrophobicContact CG1-CB 4.22Å; I48-M139 HydrophobicContact CG2-CB 3.88Å; I48-M139 HydrophobicContact CG2-CE 4.21Å; I48-M139 HydrophobicContact CG2-SD 4.38Å; Y51-M139 HydrophobicContact CD2-SD 4.05Å; Y51-M139 HydrophobicContact CG-SD 4.5Å; F52-M139 HydrophobicContact CB-CE 4.07Å; F52-M139 HydrophobicContact CD2-CE 4.24Å; I55-M139 HydrophobicContact CD1-CE 4.14Å; V135-M139 HydrophobicContact CG1-CE 4.31Å; V135-M139 WeakPolarHBondContact O-CG 3.43Å; V135-M139 PolarHBondContact O-N 3.45Å; L136-M139 HydrophobicContact CD1-CE 4.25Å; L136-M139 PolarHBondContact O-N 2.71Å; Y137-M139 VanDerWaalsContact C-N 3.31Å; Y137-M139 PolarHBondContact O-N 3.37Å |
| 140 | T | 98.4 | Very high | 96.2 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -89.5 | -30.1 | 177.3 | 60.1 | 0 | 0 | 0 | 0 | 114.2 | I48 L136 Y137 E138 V166 Y170 I174 I178 | I48-T140 HydrophobicContact CD1-CG2 3.87Å; I48-T140 HydrophobicContact CG2-CG2 4.29Å; L136-T140 PolarHBondContact O-N 3.5Å; L136-T140 PolarHBondContact O-OG1 3.27Å; Y137-T140 CarbonylContact O-C 3.59Å; Y137-T140 WeakPolarHBondContact O-CA 3.38Å; Y137-T140 PolarHBondContact O-N 2.84Å; Y137-T140 PolarHBondContact O-OG1 3.29Å; E138-T140 PolarHBondContact O-N 3.29Å; T140-V166 HydrophobicContact CG2-CG1 4.31Å; T140-V166 WeakPolarHBondContact OG1-CG1 3.29Å; T140-Y170 HydrophobicContact CG2-CD2 4.39Å; T140-Y170 HydrophobicContact CG2-CE1 4.38Å; T140-Y170 HydrophobicContact CG2-CE2 4.26Å; T140-Y170 WeakPolarHBondContact O-CE2 3.28Å; T140-Y170 PolarHBondContact O-OH 3.14Å; T140-Y170 VanDerWaalsContact O-OH 3.08Å; T140-I174 HydrophobicContact CG2-CG2 3.87Å; T140-I178 HydrophobicContact CG2-CD1 4.22Å |
| 141 | T | 97.7 | Very high | 95.7 | Very high | 23 Ų | 23 | 25.3 Ų | 25.3 | 14% | 0.141 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -115 | -16.2 | -170.9 | 59.6 | 0 | 0 | 0 | 0 | 114.4 | Y137 E138 K143 V166 | Y137-T141 HydrophobicContact CD1-CG2 4.14Å; Y137-T141 VanDerWaalsContact CD1-OG1 3.25Å; Y137-T141 WeakPolarHBondContact CD1-OG1 3.08Å; Y137-T141 HydrophobicContact CD2-CG2 4.18Å; Y137-T141 HydrophobicContact CE1-CG2 3.72Å; Y137-T141 WeakPolarHBondContact CE1-OG1 3.48Å; Y137-T141 HydrophobicContact CE2-CG2 3.78Å; Y137-T141 HydrophobicContact CG-CG2 4.36Å; Y137-T141 PolarHBondContact O-N 3.29Å; Y137-T141 PolarHBondContact O-OG1 3.19Å; E138-T141 PolarHBondContact O-N 2.96Å; T141-K143 PolarHBondContact O-N 3.34Å; T141-K143 PolarHBondContact OG1-N 3.36Å; T141-K143 PolarHBondContact OG1-O 3.09Å; T141-V166 HydrophobicContact CG2-CG2 4.03Å |
| 142 | L | 97.1 | Very high | 95.2 | Very high | 29 Ų | 29 | 30 Ų | 30 | 15% | 0.152 | 17% | 0.172 | C | C | . | . | S | Bend | trans | 58.6 | 25.6 | -168.2 | -44.3 | 175.3 | 0 | 0 | 0 | 113.5 | I35 Q38 G40 L42 M43 E138 | I35-L142 HydrophobicContact CB-CD2 4.48Å; I35-L142 HydrophobicContact CG2-CB 4.19Å; I35-L142 HydrophobicContact CG2-CD2 3.84Å; Q38-L142 HydrophobicContact CB-CD1 3.76Å; Q38-L142 HydrophobicContact CB-CD2 4.03Å; Q38-L142 HydrophobicContact CG-CD2 3.89Å; G40-L142 VanDerWaalsContact C-CD1 3.46Å; L42-L142 HydrophobicContact CD2-CD1 4.02Å; L42-L142 HydrophobicContact CD2-CG 3.91Å; M43-L142 HydrophobicContact CG-CD2 4.25Å; M43-L142 HydrophobicContact SD-CD2 4.47Å; E138-L142 VanDerWaalsContact O-CA 3.28Å; E138-L142 WeakPolarHBondContact O-CA 3.33Å; E138-L142 PolarHBondContact O-N 3.08Å |
| 143 | K | 96 | Very high | 94.9 | Very high | 130 Ų | 130 | 34 Ų | 34 | 57% | 0.565 | 19% | 0.193 | S | C | * | . | S | Bend | trans | -143.7 | 162.7 | -179.6 | -63.8 | -167.6 | 177.6 | -165.8 | 0 | 110.7 | Y137 E138 T141 | Y137-K143 VanDerWaalsContact CD1-O 3.25Å; Y137-K143 WeakPolarHBondContact CD1-O 3.36Å; Y137-K143 WeakPolarHBondContact CE1-O 3.31Å; E138-K143 WeakPolarHBondContact CA-O 3.41Å; E138-K143 VanDerWaalsContact CG-O 3.32Å; E138-K143 WeakPolarHBondContact CG-O 3.21Å; T141-K143 PolarHBondContact O-N 3.34Å; T141-K143 PolarHBondContact OG1-N 3.36Å; T141-K143 PolarHBondContact OG1-O 3.09Å |
| 144 | H | 96.6 | Very high | 94.7 | Very high | 24 Ų | 24 | 34.1 Ų | 34.1 | 11% | 0.111 | 19% | 0.194 | C | C | . | . | trans | -77.6 | 154.8 | 174.2 | -63.6 | -66.8 | 0 | 0 | 0 | 111.6 | Y111 Y137 E138 F146 E147 | Y111-H144 HydrophobicContact CD1-CB 4.41Å; Y111-H144 HydrophobicContact CD2-CB 4.37Å; Y111-H144 AromaticContact CD2-CD2 3.26Å; Y111-H144 WeakPolarHBondContact CD2-CD2 3.29Å; Y111-H144 AromaticContact CD2-CE1 3.77Å; Y111-H144 AromaticContact CD2-CG 3.59Å; Y111-H144 AromaticContact CD2-ND1 3.87Å; Y111-H144 AromaticContact CD2-NE2 3.41Å; Y111-H144 WeakPolarHBondContact CD2-NE2 3.26Å; Y111-H144 AromaticContact CE2-CD2 3.63Å; Y111-H144 AromaticContact CE2-NE2 3.82Å; Y111-H144 HydrophobicContact CG-CB 3.99Å; Y111-H144 AromaticContact CG-CD2 3.79Å; Y111-H144 AromaticContact CG-CG 3.67Å; Y137-H144 VanDerWaalsContact CE1-C 3.44Å; Y137-H144 VanDerWaalsContact CE1-O 3.22Å; Y137-H144 WeakPolarHBondContact CE1-O 3.5Å; E138-H144 VanDerWaalsContact CD-CE1 3.49Å; E138-H144 IonicContact OE1-CE1 3.55Å; E138-H144 IonicContact OE1-ND1 3.01Å; E138-H144 PolarHBondContact OE1-ND1 3.4Å; E138-H144 IonicContact OE2-CE1 2.76Å; E138-H144 IonicContact OE2-ND1 3.78Å; H144-F146 VanDerWaalsContact C-N 3.35Å; H144-E147 HydrophobicContact CB-CG 3.86Å; H144-E147 PolarHBondContact N-OE1 2.95Å | ||
| 145 | A | 96.9 | Very high | 94.3 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 2% | 0.017 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -74.1 | -28.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y137 Y163 F182 | Y137-A145 HydrophobicContact CD1-CB 3.68Å; Y137-A145 HydrophobicContact CD2-CB 4.14Å; Y137-A145 VanDerWaalsContact CE1-CA 3.41Å; Y137-A145 HydrophobicContact CE1-CB 4.04Å; Y137-A145 HydrophobicContact CE2-CB 4.46Å; Y137-A145 HydrophobicContact CG-CB 3.73Å; A145-Y163 WeakPolarHBondContact O-CB 3.42Å; A145-F182 HydrophobicContact CB-CE1 4.38Å; A145-F182 HydrophobicContact CB-CE2 3.63Å; A145-F182 HydrophobicContact CB-CZ 3.43Å; A145-F182 VanDerWaalsContact CB-CZ 3.43Å |
| 146 | F | 96.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 0% | 0.004 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -132.7 | 111.8 | -178.8 | -51.4 | -82.3 | 0 | 0 | 0 | 107.9 | Y111 W130 H144 L154 K157 I158 Y163 F182 | Y111-F146 WeakPolarHBondContact CD1-O 3.14Å; W130-F146 AromaticContact CE2-CE2 3.91Å; W130-F146 HydrophobicContact CH2-CE1 4.4Å; W130-F146 AromaticContact CH2-CE2 3.95Å; W130-F146 HydrophobicContact CH2-CE2 3.95Å; W130-F146 AromaticContact CH2-CZ 3.58Å; W130-F146 HydrophobicContact CH2-CZ 3.58Å; W130-F146 HydrophobicContact CZ2-CD2 4.08Å; W130-F146 HydrophobicContact CZ2-CE1 4.28Å; W130-F146 AromaticContact CZ2-CE2 3.24Å; W130-F146 HydrophobicContact CZ2-CE2 3.24Å; W130-F146 AromaticContact CZ2-CZ 3.37Å; W130-F146 HydrophobicContact CZ2-CZ 3.37Å; H144-F146 VanDerWaalsContact C-N 3.35Å; F146-L154 VanDerWaalsContact C-CD1 3.46Å; F146-L154 HydrophobicContact CB-CD1 3.63Å; F146-L154 WeakPolarHBondContact O-CD1 3.4Å; F146-K157 HydrophobicContact CD1-CB 4.39Å; F146-I158 HydrophobicContact CB-CD1 4.38Å; F146-I158 HydrophobicContact CB-CG1 3.71Å; F146-I158 HydrophobicContact CD1-CG1 4.15Å; F146-I158 HydrophobicContact CD2-CG1 4.02Å; F146-I158 HydrophobicContact CG-CG1 3.68Å; F146-Y163 HydrophobicContact CE1-CD1 4.33Å; F146-Y163 HydrophobicContact CZ-CD1 4.18Å; F146-Y163 HydrophobicContact CZ-CG 4.46Å; F146-F182 HydrophobicContact CE2-CD1 4.06Å; F146-F182 AromaticContact CE2-CE1 3.87Å; F146-F182 HydrophobicContact CE2-CE1 3.87Å; F146-F182 HydrophobicContact CE2-CE2 4.48Å; F146-F182 HydrophobicContact CE2-CG 4.46Å; F146-F182 HydrophobicContact CE2-CZ 4.1Å; F146-F182 HydrophobicContact CZ-CD1 4.25Å; F146-F182 HydrophobicContact CZ-CD2 4.47Å; F146-F182 HydrophobicContact CZ-CE1 4.47Å; F146-F182 HydrophobicContact CZ-CG 4.26Å |
| 147 | E | 91.2 | Very high | 93.9 | Very high | 80 Ų | 80 | 43.2 Ų | 43.2 | 37% | 0.374 | 24% | 0.239 | S | C | . | . | trans | -131.6 | 136.7 | -178.5 | -65.8 | 169.2 | 171.7 | 0 | 0 | 107.8 | H144 K157 | H144-E147 HydrophobicContact CB-CG 3.86Å; H144-E147 PolarHBondContact N-OE1 2.95Å; E147-K157 WeakPolarHBondContact O-CD 3.34Å; E147-K157 WeakPolarHBondContact O-CE 3.05Å; E147-K157 PolarHBondContact O-NZ 2.86Å | ||
| 148 | A | 91.3 | Very high | 93.8 | Very high | 35 Ų | 35 | 42.8 Ų | 42.8 | 29% | 0.289 | 24% | 0.237 | S | C | . | . | trans | -162 | 146 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | N150 N153 L154 K157 | A148-N150 PolarHBondContact O-N 3.44Å; A148-N153 HydrophobicContact CB-CB 3.84Å; A148-L154 HydrophobicContact CB-CB 4.22Å; A148-K157 HydrophobicContact CB-CD 4.26Å | ||
| 149 | G | 87.9 | Confident | 93.6 | Very high | 89 Ų | 89 | 45.1 Ų | 45.1 | 92% | 0.918 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -70.4 | 19.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 150 | N | 88.5 | Confident | 93.5 | Very high | 72 Ų | 72 | 52.5 Ų | 52.5 | 39% | 0.385 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -165.3 | 160.1 | 158.9 | 61.4 | 57.8 | 0 | 0 | 0 | 111.3 | A148 K152 N153 L154 | A148-N150 PolarHBondContact O-N 3.44Å; N150-K152 PolarHBondContact O-N 2.94Å; N150-K152 PolarHBondContact OD1-N 3.27Å; N150-N153 PolarHBondContact ND2-ND2 2.91Å; N150-N153 VanDerWaalsContact ND2-ND2 3.17Å; N150-N153 PolarHBondContact O-N 2.87Å; N150-N153 WeakPolarHBondContact OD1-CB 3.48Å; N150-N153 PolarHBondContact OD1-N 3.28Å; N150-N153 PolarHBondContact OD1-ND2 3.32Å; N150-L154 PolarHBondContact O-N 3.4Å |
| 151 | M | 86.8 | Confident | 93.3 | Very high | 31 Ų | 31 | 53.2 Ų | 53.2 | 15% | 0.153 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.8 | -41.1 | -177.4 | -170 | 63.7 | 62.3 | 0 | 0 | 113.1 | C106 P110 N153 L154 V155 M1580 | C106-M151 HydrophobicContact CB-CE 4.24Å; P110-M151 HydrophobicContact CB-CE 3.72Å; P110-M151 HydrophobicContact CB-SD 3.81Å; P110-M151 HydrophobicContact CG-CE 3.84Å; P110-M151 HydrophobicContact CG-SD 4.35Å; M151-N153 PolarHBondContact O-N 3.21Å; M151-L154 PolarHBondContact O-N 3.12Å; M151-L154 HydrophobicContact SD-CD2 4.45Å; M151-V155 HydrophobicContact CG-CG2 4.47Å; M151-V155 WeakPolarHBondContact O-CB 3.13Å; M151-V155 WeakPolarHBondContact O-CG2 3.46Å; M151-V155 PolarHBondContact O-N 3.03Å; M151-V155 HydrophobicContact SD-CG2 4.48Å; M151-M1580 HydrophobicContact CB-CE 4.06Å; M151-M1580 HydrophobicContact CE-CE 3.95Å; M151-M1580 HydrophobicContact CE-SD 4.41Å |
| 152 | K | 87.1 | Confident | 93.1 | Very high | 102 Ų | 102 | 56 Ų | 56 | 44% | 0.443 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.3 | -47.6 | 178.8 | -67.5 | 176.4 | -179.2 | 171.7 | 0 | 110.9 | N150 L156 E1540 | N150-K152 PolarHBondContact O-N 2.94Å; N150-K152 PolarHBondContact OD1-N 3.27Å; K152-L156 VanDerWaalsContact O-CG 3.31Å; K152-L156 WeakPolarHBondContact O-CG 3.22Å; K152-L156 PolarHBondContact O-N 2.76Å; K152-E1540 WeakPolarHBondContact CE-OE2 3.44Å; K152-E1540 IonicContact NZ-OE2 2.82Å; K152-E1540 PolarHBondContact NZ-OE2 2.89Å |
| 153 | N | 92.3 | Very high | 93.1 | Very high | 82 Ų | 82 | 57.4 Ų | 57.4 | 44% | 0.439 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -69.7 | -34.7 | 178.1 | -79.3 | -43.8 | 0 | 0 | 0 | 113.1 | A148 N150 M151 L156 K157 | A148-N153 HydrophobicContact CB-CB 3.84Å; N150-N153 PolarHBondContact ND2-ND2 2.91Å; N150-N153 VanDerWaalsContact ND2-ND2 3.17Å; N150-N153 PolarHBondContact O-N 2.87Å; N150-N153 WeakPolarHBondContact OD1-CB 3.48Å; N150-N153 PolarHBondContact OD1-N 3.28Å; N150-N153 PolarHBondContact OD1-ND2 3.32Å; M151-N153 PolarHBondContact O-N 3.21Å; N153-L156 PolarHBondContact O-N 2.85Å; N153-K157 PolarHBondContact O-N 3.18Å |
| 154 | L | 92.6 | Very high | 93.2 | Very high | 4 Ų | 4 | 54.7 Ų | 54.7 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63 | -50.8 | 174 | 174.6 | 57.8 | 0 | 0 | 0 | 111.3 | P110 Y111 F146 A148 N150 M151 L156 K157 I158 | P110-L154 HydrophobicContact CB-CD2 3.63Å; P110-L154 HydrophobicContact CG-CD2 3.38Å; Y111-L154 HydrophobicContact CD1-CD2 4Å; Y111-L154 HydrophobicContact CE1-CD2 4.17Å; F146-L154 VanDerWaalsContact C-CD1 3.46Å; F146-L154 HydrophobicContact CB-CD1 3.63Å; F146-L154 WeakPolarHBondContact O-CD1 3.4Å; A148-L154 HydrophobicContact CB-CB 4.22Å; N150-L154 PolarHBondContact O-N 3.4Å; M151-L154 PolarHBondContact O-N 3.12Å; M151-L154 HydrophobicContact SD-CD2 4.45Å; L154-L156 VanDerWaalsContact C-N 3.26Å; L154-L156 PolarHBondContact O-N 3.09Å; L154-K157 PolarHBondContact O-N 3.37Å; L154-K157 VanDerWaalsContact O-N 3.08Å; L154-I158 HydrophobicContact CD1-CD1 3.9Å; L154-I158 HydrophobicContact CD1-CG1 4.25Å; L154-I158 HydrophobicContact CG-CD1 3.95Å; L154-I158 WeakPolarHBondContact O-CG1 3.48Å; L154-I158 PolarHBondContact O-N 3.44Å |
| 155 | V | 91.5 | Very high | 93.2 | Very high | 31 Ų | 31 | 59.2 Ų | 59.2 | 19% | 0.188 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -54.8 | -42.3 | 174.6 | 164.4 | 0 | 0 | 0 | 0 | 111.1 | C118 M151 I158 I159 | C118-V155 HydrophobicContact CB-CG1 4Å; M151-V155 HydrophobicContact CG-CG2 4.47Å; M151-V155 WeakPolarHBondContact O-CB 3.13Å; M151-V155 WeakPolarHBondContact O-CG2 3.46Å; M151-V155 PolarHBondContact O-N 3.03Å; M151-V155 HydrophobicContact SD-CG2 4.48Å; V155-I158 PolarHBondContact O-N 3.43Å; V155-I159 HydrophobicContact CG1-CD1 3.9Å; V155-I159 VanDerWaalsContact O-CG1 3.31Å; V155-I159 WeakPolarHBondContact O-CG1 3.45Å; V155-I159 PolarHBondContact O-N 3.46Å |
| 156 | L | 93.1 | Very high | 93.2 | Very high | 74 Ų | 74 | 59.9 Ų | 59.9 | 39% | 0.387 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66.1 | -40.1 | 175.4 | -72.1 | 171.4 | 0 | 0 | 0 | 113.3 | K152 N153 L154 R160 | K152-L156 VanDerWaalsContact O-CG 3.31Å; K152-L156 WeakPolarHBondContact O-CG 3.22Å; K152-L156 PolarHBondContact O-N 2.76Å; N153-L156 PolarHBondContact O-N 2.85Å; L154-L156 VanDerWaalsContact C-N 3.26Å; L154-L156 PolarHBondContact O-N 3.09Å; L156-R160 VanDerWaalsContact O-CB 3.32Å; L156-R160 WeakPolarHBondContact O-CB 3.25Å; L156-R160 WeakPolarHBondContact O-CD 3.41Å; L156-R160 WeakPolarHBondContact O-CG 3.48Å; L156-R160 PolarHBondContact O-N 3.27Å |
| 157 | K | 95.1 | Very high | 93.2 | Very high | 86 Ų | 86 | 62 Ų | 62 | 37% | 0.374 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.7 | -42.2 | 174 | -77.1 | -171.6 | -177.1 | -176.4 | 0 | 111.8 | F146 E147 A148 N153 L154 R160 G161 T162 | F146-K157 HydrophobicContact CD1-CB 4.39Å; E147-K157 WeakPolarHBondContact O-CD 3.34Å; E147-K157 WeakPolarHBondContact O-CE 3.05Å; E147-K157 PolarHBondContact O-NZ 2.86Å; A148-K157 HydrophobicContact CB-CD 4.26Å; N153-K157 PolarHBondContact O-N 3.18Å; L154-K157 PolarHBondContact O-N 3.37Å; L154-K157 VanDerWaalsContact O-N 3.08Å; K157-R160 PolarHBondContact O-N 3.14Å; K157-G161 PolarHBondContact O-N 2.84Å; K157-T162 PolarHBondContact O-N 2.94Å |
| 158 | I | 95.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.4 | -52.2 | 176.6 | -69.6 | 166.9 | 0 | 0 | 0 | 110.4 | L113 P115 W130 F146 L154 V155 R160 G161 | L113-I158 HydrophobicContact CB-CD1 3.96Å; L113-I158 WeakPolarHBondContact O-CG2 3.25Å; P115-I158 HydrophobicContact CG-CG2 4.06Å; W130-I158 HydrophobicContact CZ2-CG2 3.93Å; F146-I158 HydrophobicContact CB-CD1 4.38Å; F146-I158 HydrophobicContact CB-CG1 3.71Å; F146-I158 HydrophobicContact CD1-CG1 4.15Å; F146-I158 HydrophobicContact CD2-CG1 4.02Å; F146-I158 HydrophobicContact CG-CG1 3.68Å; L154-I158 HydrophobicContact CD1-CD1 3.9Å; L154-I158 HydrophobicContact CD1-CG1 4.25Å; L154-I158 HydrophobicContact CG-CD1 3.95Å; L154-I158 WeakPolarHBondContact O-CG1 3.48Å; L154-I158 PolarHBondContact O-N 3.44Å; V155-I158 PolarHBondContact O-N 3.43Å; I158-R160 VanDerWaalsContact C-N 3.27Å; I158-R160 PolarHBondContact O-N 2.98Å; I158-G161 WeakPolarHBondContact O-CA 3.32Å; I158-G161 PolarHBondContact O-N 2.8Å |
| 159 | I | 95.2 | Very high | 93.7 | Very high | 51 Ų | 51 | 66.5 Ų | 66.5 | 26% | 0.262 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.8 | -35.1 | 177.6 | -67 | 170.2 | 0 | 0 | 0 | 112 | C118 E119 V155 G161 R184 | C118-I159 HydrophobicContact CB-CD1 3.83Å; C118-I159 HydrophobicContact CB-CG1 3.66Å; E119-I159 HydrophobicContact CG-CD1 4.09Å; E119-I159 HydrophobicContact CG-CG1 4.15Å; V155-I159 HydrophobicContact CG1-CD1 3.9Å; V155-I159 VanDerWaalsContact O-CG1 3.31Å; V155-I159 WeakPolarHBondContact O-CG1 3.45Å; V155-I159 PolarHBondContact O-N 3.46Å; I159-G161 VanDerWaalsContact C-N 3.29Å; I159-G161 PolarHBondContact O-N 2.9Å; I159-R184 WeakPolarHBondContact O-CD 3.25Å |
| 160 | R | 95.9 | Very high | 94.2 | Very high | 155 Ų | 155 | 62.5 Ų | 62.5 | 59% | 0.585 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -70 | -24.2 | 173.6 | -73 | 168.4 | -175 | -176.1 | 3.2 | 112.9 | L156 K157 I158 T162 R184 | L156-R160 VanDerWaalsContact O-CB 3.32Å; L156-R160 WeakPolarHBondContact O-CB 3.25Å; L156-R160 WeakPolarHBondContact O-CD 3.41Å; L156-R160 WeakPolarHBondContact O-CG 3.48Å; L156-R160 PolarHBondContact O-N 3.27Å; K157-R160 PolarHBondContact O-N 3.14Å; I158-R160 VanDerWaalsContact C-N 3.27Å; I158-R160 PolarHBondContact O-N 2.98Å; R160-T162 HydrophobicContact CB-CG2 4.07Å; R160-T162 PolarHBondContact O-N 3.13Å; R160-R184 WeakPolarHBondContact O-CD 3.48Å |
| 161 | G | 94.9 | Very high | 94.7 | Very high | 17 Ų | 17 | 60.3 Ų | 60.3 | 18% | 0.175 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68 | 24.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113 | K157 I158 I159 | K157-G161 PolarHBondContact O-N 2.84Å; I158-G161 WeakPolarHBondContact O-CA 3.32Å; I158-G161 PolarHBondContact O-N 2.8Å; I159-G161 VanDerWaalsContact C-N 3.29Å; I159-G161 PolarHBondContact O-N 2.9Å |
| 162 | T | 93.6 | Very high | 95.2 | Very high | 82 Ų | 82 | 66 Ų | 66 | 50% | 0.503 | 35% | 0.345 | S | S | . | . | trans | -100.3 | 114.5 | -176 | 49.1 | 0 | 0 | 0 | 0 | 110.3 | K157 R160 | K157-T162 PolarHBondContact O-N 2.94Å; R160-T162 HydrophobicContact CB-CG2 4.07Å; R160-T162 PolarHBondContact O-N 3.13Å | ||
| 163 | Y | 96.8 | Very high | 95.8 | Very high | 57 Ų | 57 | 65.7 Ų | 65.7 | 22% | 0.224 | 35% | 0.345 | C | S | . | . | trans | -133.4 | 153.7 | -179.1 | 60.9 | -83.5 | 0 | 0 | 0 | 109.7 | Y137 A145 F146 I178 S179 F182 | Y137-Y163 HydrophobicContact CD2-CD2 4.19Å; Y137-Y163 AromaticContact CE2-CD2 3.84Å; Y137-Y163 HydrophobicContact CE2-CD2 3.84Å; Y137-Y163 HydrophobicContact CE2-CE2 4.5Å; A145-Y163 WeakPolarHBondContact O-CB 3.42Å; F146-Y163 HydrophobicContact CE1-CD1 4.33Å; F146-Y163 HydrophobicContact CZ-CD1 4.18Å; F146-Y163 HydrophobicContact CZ-CG 4.46Å; Y163-I178 HydrophobicContact CE2-CG2 4.07Å; Y163-S179 WeakPolarHBondContact OH-CA 3.42Å; Y163-S179 PolarHBondContact OH-OG 3.01Å; Y163-F182 HydrophobicContact CD1-CB 4.28Å; Y163-F182 AromaticContact CD1-CD2 3.78Å; Y163-F182 HydrophobicContact CD1-CD2 3.78Å; Y163-F182 HydrophobicContact CD1-CG 4.37Å; Y163-F182 HydrophobicContact CD2-CD2 4.12Å; Y163-F182 HydrophobicContact CD2-CE2 4.28Å; Y163-F182 HydrophobicContact CE1-CB 3.84Å; Y163-F182 AromaticContact CE1-CD2 3.66Å; Y163-F182 HydrophobicContact CE1-CD2 3.66Å; Y163-F182 HydrophobicContact CE1-CG 4.22Å; Y163-F182 HydrophobicContact CE2-CD2 4.01Å; Y163-F182 HydrophobicContact CE2-CE2 4.43Å; Y163-F182 HydrophobicContact CG-CD2 4.03Å; Y163-F182 HydrophobicContact CG-CE2 4.35Å; Y163-F182 AromaticContact CZ-CD2 3.79Å | ||
| 164 | P | 96.9 | Very high | 96 | Very high | 73 Ų | 73 | 61.8 Ų | 61.8 | 47% | 0.474 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 145.8 | 178 | -21.1 | 32.1 | 0 | 0 | 0 | 112.5 | Y137 V166 | Y137-P164 WeakPolarHBondContact CE2-O 3.28Å; Y137-P164 WeakPolarHBondContact OH-CD 3.26Å; Y137-P164 PolarHBondContact OH-O 3.12Å; P164-V166 PolarHBondContact O-N 3.37Å |
| 165 | P | 96.7 | Very high | 96.3 | Very high | 120 Ų | 120 | 65.6 Ų | 65.6 | 78% | 0.779 | 34% | 0.339 | S | S | * | . | P | Polyproline II helix | trans | -68.2 | 132.1 | -179.5 | 27.6 | -33.8 | 0 | 0 | 0 | 111.7 | ||
| 166 | V | 97.7 | Very high | 96.6 | Very high | 15 Ų | 15 | 66.4 Ų | 66.4 | 9% | 0.091 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 133.3 | 174.8 | 173.6 | 0 | 0 | 0 | 0 | 110.1 | Y137 T140 T141 P164 Y170 R175 I178 | Y137-V166 HydrophobicContact CD2-CG2 3.5Å; Y137-V166 VanDerWaalsContact CD2-CG2 3.5Å; Y137-V166 HydrophobicContact CE2-CG2 3.55Å; T140-V166 HydrophobicContact CG2-CG1 4.31Å; T140-V166 WeakPolarHBondContact OG1-CG1 3.29Å; T141-V166 HydrophobicContact CG2-CG2 4.03Å; P164-V166 PolarHBondContact O-N 3.37Å; V166-Y170 HydrophobicContact CG1-CD2 3.76Å; V166-Y170 HydrophobicContact CG1-CE2 4.38Å; V166-R175 HydrophobicContact CB-CG 4.16Å; V166-R175 HydrophobicContact CG1-CG 4.08Å; V166-R175 VanDerWaalsContact O-CD 3.28Å; V166-R175 WeakPolarHBondContact O-CD 2.97Å; V166-I178 HydrophobicContact CG1-CD1 4.43Å; V166-I178 HydrophobicContact CG2-CD1 3.83Å |
| 167 | S | 97 | Very high | 96.9 | Very high | 47 Ų | 47 | 63 Ų | 63 | 33% | 0.329 | 32% | 0.324 | S | S | . | . | trans | -44.9 | 135.4 | -174.1 | 179.4 | 0 | 0 | 0 | 0 | 114 | K169 Y170 | S167-K169 PolarHBondContact O-N 3.24Å; S167-K169 PolarHBondContact OG-N 3.2Å; S167-Y170 PolarHBondContact O-N 3.2Å; S167-Y170 VanDerWaalsContact O-N 3.13Å | ||
| 168 | S | 96.5 | Very high | 97.1 | Very high | 105 Ų | 105 | 58.9 Ų | 58.9 | 73% | 0.734 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -17.7 | 178.1 | 54 | 0 | 0 | 0 | 0 | 114.3 | Y170 | S168-Y170 PolarHBondContact O-N 3.09Š|
| 169 | K | 96.4 | Very high | 97.2 | Very high | 104 Ų | 104 | 61 Ų | 61 | 45% | 0.452 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -23.5 | 174.3 | 81.5 | 166.3 | -166.8 | 151.8 | 0 | 113.7 | L42 M43 S167 | L42-K169 VanDerWaalsContact CB-NZ 3.28Å; L42-K169 HydrophobicContact CD1-CD 4.36Å; L42-K169 PolarHBondContact O-NZ 3.05Å; M43-K169 PolarHBondContact O-NZ 2.79Å; M43-K169 VanDerWaalsContact O-NZ 3.1Å; S167-K169 PolarHBondContact O-N 3.24Å; S167-K169 PolarHBondContact OG-N 3.2Å |
| 170 | Y | 98.3 | Very high | 97.3 | Very high | 4 Ų | 4 | 60.4 Ų | 60.4 | 2% | 0.016 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -88.1 | 149.6 | 179.2 | -65.4 | -71.2 | 0 | 0 | 0 | 111.6 | M43 E45 I48 T140 V166 S167 S168 R175 | M43-Y170 PolarHBondContact O-OH 3.31Å; E45-Y170 HydrophobicContact CB-CD1 4.11Å; E45-Y170 HydrophobicContact CB-CE1 4.38Å; E45-Y170 HydrophobicContact CG-CD1 4.46Å; E45-Y170 WeakPolarHBondContact OE2-CA 3.37Å; I48-Y170 HydrophobicContact CD1-CD1 4.32Å; I48-Y170 HydrophobicContact CD1-CE1 3.39Å; T140-Y170 HydrophobicContact CG2-CD2 4.39Å; T140-Y170 HydrophobicContact CG2-CE1 4.38Å; T140-Y170 HydrophobicContact CG2-CE2 4.26Å; T140-Y170 WeakPolarHBondContact O-CE2 3.28Å; T140-Y170 PolarHBondContact O-OH 3.14Å; T140-Y170 VanDerWaalsContact O-OH 3.08Å; V166-Y170 HydrophobicContact CG1-CD2 3.76Å; V166-Y170 HydrophobicContact CG1-CE2 4.38Å; S167-Y170 PolarHBondContact O-N 3.2Å; S167-Y170 VanDerWaalsContact O-N 3.13Å; S168-Y170 PolarHBondContact O-N 3.09Å; Y170-R175 PolarHBondContact O-NE 2.9Å; Y170-R175 PolarHBondContact O-NH2 3.46Å |
| 171 | S | 98.2 | Very high | 97.5 | Very high | 27 Ų | 27 | 53 Ų | 53 | 19% | 0.189 | 29% | 0.289 | C | S | . | . | trans | -51.7 | 150.3 | 177.3 | 62 | 0 | 0 | 0 | 0 | 112.7 | E45 E173 I174 R175 | E45-S171 VanDerWaalsContact CD-OG 3.3Å; E45-S171 WeakPolarHBondContact OE1-CB 3.34Å; E45-S171 PolarHBondContact OE1-OG 3.45Å; E45-S171 PolarHBondContact OE2-N 2.94Å; E45-S171 PolarHBondContact OE2-OG 3.5Å; S171-E173 PolarHBondContact O-N 3.47Å; S171-I174 PolarHBondContact O-N 3.16Å; S171-I174 PolarHBondContact OG-N 3.19Å; S171-R175 PolarHBondContact O-N 3.44Å | ||
| 172 | Y | 98.3 | Very high | 97.6 | Very high | 149 Ų | 149 | 52.7 Ų | 52.7 | 58% | 0.584 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -57.9 | -35.3 | 171.7 | 171.7 | -106.2 | 0 | 0 | 0 | 110.4 | I174 R175 N176 | Y172-I174 PolarHBondContact O-N 3.29Å; Y172-R175 PolarHBondContact O-N 2.79Å; Y172-N176 HydrophobicContact CD2-CB 4.45Å; Y172-N176 HydrophobicContact CE1-CB 4.18Å; Y172-N176 WeakPolarHBondContact CE1-ND2 3.39Å; Y172-N176 HydrophobicContact CE2-CB 4.12Å; Y172-N176 WeakPolarHBondContact O-CB 3.42Å; Y172-N176 PolarHBondContact O-N 3.12Å; Y172-N176 PolarHBondContact OH-ND2 3.01Å |
| 173 | E | 98.1 | Very high | 97.8 | Very high | 96 Ų | 96 | 54.6 Ų | 54.6 | 45% | 0.449 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -54.6 | -47.3 | 176 | -74.1 | 86.2 | 158.9 | 0 | 0 | 113.5 | S171 L177 F200 | S171-E173 PolarHBondContact O-N 3.47Å; E173-L177 VanDerWaalsContact O-CB 3.24Å; E173-L177 WeakPolarHBondContact O-CB 3.48Å; E173-L177 PolarHBondContact O-N 3Å; E173-F200 HydrophobicContact CB-CD1 3.7Å; E173-F200 HydrophobicContact CB-CD2 4.38Å; E173-F200 HydrophobicContact CB-CE1 3.67Å; E173-F200 HydrophobicContact CB-CE2 4.34Å; E173-F200 HydrophobicContact CB-CG 4.07Å; E173-F200 HydrophobicContact CB-CZ 4Å; E173-F200 HydrophobicContact CG-CD1 3.76Å; E173-F200 HydrophobicContact CG-CE1 4.04Å; E173-F200 HydrophobicContact CG-CG 4.34Å |
| 174 | I | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -70.4 | -48.5 | 175.8 | -71.8 | -177.2 | 0 | 0 | 0 | 111.1 | E45 L49 T140 S171 Y172 N176 L177 I178 | E45-I174 VanDerWaalsContact CD-CD1 3.48Å; E45-I174 HydrophobicContact CG-CD1 3.5Å; L49-I174 HydrophobicContact CD1-CD1 4.26Å; L49-I174 HydrophobicContact CD2-CD1 3.67Å; L49-I174 HydrophobicContact CD2-CG1 3.81Å; L49-I174 HydrophobicContact CG-CD1 3.84Å; L49-I174 HydrophobicContact CG-CG1 4.46Å; T140-I174 HydrophobicContact CG2-CG2 3.87Å; S171-I174 PolarHBondContact O-N 3.16Å; S171-I174 PolarHBondContact OG-N 3.19Å; Y172-I174 PolarHBondContact O-N 3.29Å; I174-N176 VanDerWaalsContact C-N 3.32Å; I174-N176 PolarHBondContact O-N 2.99Å; I174-L177 WeakPolarHBondContact O-CB 3.18Å; I174-L177 PolarHBondContact O-N 3.47Å; I174-L177 VanDerWaalsContact O-N 3.09Å; I174-I178 HydrophobicContact CG2-CD1 3.85Å; I174-I178 HydrophobicContact CG2-CG1 4.44Å; I174-I178 WeakPolarHBondContact O-CG1 3.48Å; I174-I178 PolarHBondContact O-N 2.79Å |
| 175 | R | 98.5 | Very high | 97.8 | Very high | 85 Ų | 85 | 58.9 Ų | 58.9 | 32% | 0.321 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.9 | -43.2 | -176.9 | -68.4 | -176.7 | -76.1 | 120.4 | -6.6 | 111.5 | V166 Y170 S171 Y172 I178 S179 | V166-R175 HydrophobicContact CB-CG 4.16Å; V166-R175 HydrophobicContact CG1-CG 4.08Å; V166-R175 VanDerWaalsContact O-CD 3.28Å; V166-R175 WeakPolarHBondContact O-CD 2.97Å; Y170-R175 PolarHBondContact O-NE 2.9Å; Y170-R175 PolarHBondContact O-NH2 3.46Å; S171-R175 PolarHBondContact O-N 3.44Å; Y172-R175 PolarHBondContact O-N 2.79Å; R175-I178 PolarHBondContact O-N 2.59Å; R175-S179 PolarHBondContact O-N 3.32Å; R175-S179 VanDerWaalsContact O-N 3.08Å; R175-S179 PolarHBondContact O-OG 3.49Å |
| 176 | N | 98.2 | Very high | 97.8 | Very high | 48 Ų | 48 | 54.3 Ų | 54.3 | 26% | 0.257 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -67.8 | -34.8 | 174.6 | -173 | 12 | 0 | 0 | 0 | 112.6 | Y172 I174 S179 Q180 | Y172-N176 HydrophobicContact CD2-CB 4.45Å; Y172-N176 HydrophobicContact CE1-CB 4.18Å; Y172-N176 WeakPolarHBondContact CE1-ND2 3.39Å; Y172-N176 HydrophobicContact CE2-CB 4.12Å; Y172-N176 WeakPolarHBondContact O-CB 3.42Å; Y172-N176 PolarHBondContact O-N 3.12Å; Y172-N176 PolarHBondContact OH-ND2 3.01Å; I174-N176 VanDerWaalsContact C-N 3.32Å; I174-N176 PolarHBondContact O-N 2.99Å; N176-S179 PolarHBondContact O-N 3.11Å; N176-Q180 VanDerWaalsContact O-CG 3.27Å; N176-Q180 WeakPolarHBondContact O-CG 3.27Å; N176-Q180 PolarHBondContact O-N 3.19Å; N176-Q180 VanDerWaalsContact O-N 3.08Å; N176-Q180 PolarHBondContact O-NE2 3.47Å; N176-Q180 VanDerWaalsContact O-NE2 3.13Å; N176-Q180 PolarHBondContact OD1-NE2 3.27Å |
| 177 | L | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.7 | -48.1 | 171.5 | 171.6 | 61.7 | 0 | 0 | 0 | 111 | F52 L136 E173 I174 S179 Q180 L181 I195 K198 F200 L201 | F52-L177 HydrophobicContact CD1-CD2 4.42Å; F52-L177 HydrophobicContact CE1-CD2 3.66Å; F52-L177 HydrophobicContact CZ-CD2 4.04Å; L136-L177 HydrophobicContact CD2-CD2 3.71Å; L136-L177 HydrophobicContact CD2-CG 3.97Å; E173-L177 VanDerWaalsContact O-CB 3.24Å; E173-L177 WeakPolarHBondContact O-CB 3.48Å; E173-L177 PolarHBondContact O-N 3Å; I174-L177 WeakPolarHBondContact O-CB 3.18Å; I174-L177 PolarHBondContact O-N 3.47Å; I174-L177 VanDerWaalsContact O-N 3.09Å; L177-S179 VanDerWaalsContact C-N 3.31Å; L177-S179 PolarHBondContact O-N 3.34Å; L177-Q180 CarbonylContact O-C 3.21Å; L177-Q180 WeakPolarHBondContact O-CA 3.34Å; L177-Q180 WeakPolarHBondContact O-CB 3.16Å; L177-Q180 PolarHBondContact O-N 3.41Å; L177-L181 HydrophobicContact CD1-CD1 4.19Å; L177-L181 HydrophobicContact CD1-CD2 4.18Å; L177-L181 HydrophobicContact CD1-CG 4.06Å; L177-L181 HydrophobicContact CG-CD1 4.1Å; L177-L181 HydrophobicContact CG-CG 4.38Å; L177-L181 WeakPolarHBondContact O-CG 3.33Å; L177-L181 PolarHBondContact O-N 3.4Å; L177-I195 HydrophobicContact CD1-CG1 4.35Å; L177-I195 HydrophobicContact CD1-CG2 4.3Å; L177-K198 HydrophobicContact CD1-CD 4.19Å; L177-F200 HydrophobicContact CB-CZ 4.27Å; L177-F200 HydrophobicContact CD2-CE2 4.15Å; L177-F200 HydrophobicContact CD2-CZ 4.01Å; L177-L201 HydrophobicContact CD2-CD1 4.27Å |
| 178 | I | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -57.8 | -44.5 | 177.5 | -66.7 | 170.2 | 0 | 0 | 0 | 110.6 | L136 Y137 T140 Y163 V166 I174 R175 Q180 L181 F182 | L136-I178 HydrophobicContact CD2-CD1 4.28Å; L136-I178 HydrophobicContact CD2-CG1 3.59Å; L136-I178 HydrophobicContact CG-CD1 4Å; L136-I178 HydrophobicContact CG-CG1 3.79Å; Y137-I178 HydrophobicContact CD2-CG2 4.32Å; T140-I178 HydrophobicContact CG2-CD1 4.22Å; Y163-I178 HydrophobicContact CE2-CG2 4.07Å; V166-I178 HydrophobicContact CG1-CD1 4.43Å; V166-I178 HydrophobicContact CG2-CD1 3.83Å; I174-I178 HydrophobicContact CG2-CD1 3.85Å; I174-I178 HydrophobicContact CG2-CG1 4.44Å; I174-I178 WeakPolarHBondContact O-CG1 3.48Å; I174-I178 PolarHBondContact O-N 2.79Å; R175-I178 PolarHBondContact O-N 2.59Å; I178-Q180 PolarHBondContact O-N 3.11Å; I178-L181 PolarHBondContact O-N 2.74Å; I178-L181 VanDerWaalsContact O-N 3.08Å; I178-F182 HydrophobicContact CG2-CD2 3.63Å; I178-F182 HydrophobicContact CG2-CE2 3.61Å; I178-F182 PolarHBondContact O-N 3.31Å |
| 179 | S | 98.3 | Very high | 97.8 | Very high | 44 Ų | 44 | 60.1 Ų | 60.1 | 31% | 0.308 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65.3 | -14.4 | 173.2 | -60.1 | 0 | 0 | 0 | 0 | 115.3 | Y163 R175 N176 L177 R183 | Y163-S179 WeakPolarHBondContact OH-CA 3.42Å; Y163-S179 PolarHBondContact OH-OG 3.01Å; R175-S179 PolarHBondContact O-N 3.32Å; R175-S179 VanDerWaalsContact O-N 3.08Å; R175-S179 PolarHBondContact O-OG 3.49Å; N176-S179 PolarHBondContact O-N 3.11Å; L177-S179 VanDerWaalsContact C-N 3.31Å; L177-S179 PolarHBondContact O-N 3.34Å; S179-R183 PolarHBondContact O-NE 3.47Å |
| 180 | Q | 98.5 | Very high | 97.9 | Very high | 40 Ų | 40 | 56.1 Ų | 56.1 | 19% | 0.187 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -89.3 | -32.6 | 170.3 | -72.6 | 162.4 | 47.3 | 0 | 0 | 111.9 | N176 L177 I178 R183 P190 | N176-Q180 VanDerWaalsContact O-CG 3.27Å; N176-Q180 WeakPolarHBondContact O-CG 3.27Å; N176-Q180 PolarHBondContact O-N 3.19Å; N176-Q180 VanDerWaalsContact O-N 3.08Å; N176-Q180 PolarHBondContact O-NE2 3.47Å; N176-Q180 VanDerWaalsContact O-NE2 3.13Å; N176-Q180 PolarHBondContact OD1-NE2 3.27Å; L177-Q180 CarbonylContact O-C 3.21Å; L177-Q180 WeakPolarHBondContact O-CA 3.34Å; L177-Q180 WeakPolarHBondContact O-CB 3.16Å; L177-Q180 PolarHBondContact O-N 3.41Å; I178-Q180 PolarHBondContact O-N 3.11Å; Q180-R183 WeakPolarHBondContact O-CG 3.41Å; Q180-P190 HydrophobicContact CB-CG 4.19Å; Q180-P190 VanDerWaalsContact O-CD 3.29Å; Q180-P190 WeakPolarHBondContact O-CD 3.49Å |
| 181 | L | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -71.9 | -42 | 175.5 | -58.5 | 173.8 | 0 | 0 | 0 | 111.1 | F52 I129 L136 L177 I178 R183 R189 P190 I195 | F52-L181 HydrophobicContact CE2-CD1 4.5Å; F52-L181 HydrophobicContact CZ-CD1 4.2Å; I129-L181 HydrophobicContact CG2-CD2 3.42Å; I129-L181 VanDerWaalsContact CG2-CD2 3.42Å; L136-L181 HydrophobicContact CD2-CD1 3.94Å; L177-L181 HydrophobicContact CD1-CD1 4.19Å; L177-L181 HydrophobicContact CD1-CD2 4.18Å; L177-L181 HydrophobicContact CD1-CG 4.06Å; L177-L181 HydrophobicContact CG-CD1 4.1Å; L177-L181 HydrophobicContact CG-CG 4.38Å; L177-L181 WeakPolarHBondContact O-CG 3.33Å; L177-L181 PolarHBondContact O-N 3.4Å; I178-L181 PolarHBondContact O-N 2.74Å; I178-L181 VanDerWaalsContact O-N 3.08Å; L181-R183 PolarHBondContact O-N 2.81Å; L181-R189 VanDerWaalsContact O-CD 3.28Å; L181-R189 WeakPolarHBondContact O-CD 3.46Å; L181-R189 WeakPolarHBondContact O-CG 3.4Å; L181-P190 HydrophobicContact CD2-CG 4.23Å; L181-I195 HydrophobicContact CD2-CD1 3.55Å; L181-I195 HydrophobicContact CD2-CG1 4.36Å |
| 182 | F | 98.4 | Very high | 97.8 | Very high | 9 Ų | 9 | 55.4 Ų | 55.4 | 4% | 0.039 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 28.2 | 176.6 | -62.3 | -37.3 | 0 | 0 | 0 | 114.9 | W130 G133 Y137 A145 F146 Y163 I178 R184 | W130-F182 AromaticContact CD2-CD1 3.89Å; W130-F182 HydrophobicContact CD2-CD1 3.89Å; W130-F182 HydrophobicContact CD2-CE1 4.42Å; W130-F182 AromaticContact CE2-CD1 3.98Å; W130-F182 HydrophobicContact CE3-CB 4.44Å; W130-F182 AromaticContact CE3-CD1 3.9Å; W130-F182 HydrophobicContact CE3-CD1 3.9Å; W130-F182 HydrophobicContact CH2-CB 4.35Å; W130-F182 HydrophobicContact CH2-CD1 4.17Å; W130-F182 HydrophobicContact CZ2-CD1 4.14Å; W130-F182 HydrophobicContact CZ3-CB 3.99Å; W130-F182 HydrophobicContact CZ3-CD1 4.05Å; W130-F182 HydrophobicContact CZ3-CG 4.47Å; G133-F182 WeakPolarHBondContact O-CZ 3.25Å; Y137-F182 HydrophobicContact CD2-CE2 4.14Å; Y137-F182 HydrophobicContact CG-CE2 4.32Å; A145-F182 HydrophobicContact CB-CE1 4.38Å; A145-F182 HydrophobicContact CB-CE2 3.63Å; A145-F182 HydrophobicContact CB-CZ 3.43Å; A145-F182 VanDerWaalsContact CB-CZ 3.43Å; F146-F182 HydrophobicContact CE2-CD1 4.06Å; F146-F182 AromaticContact CE2-CE1 3.87Å; F146-F182 HydrophobicContact CE2-CE1 3.87Å; F146-F182 HydrophobicContact CE2-CE2 4.48Å; F146-F182 HydrophobicContact CE2-CG 4.46Å; F146-F182 HydrophobicContact CE2-CZ 4.1Å; F146-F182 HydrophobicContact CZ-CD1 4.25Å; F146-F182 HydrophobicContact CZ-CD2 4.47Å; F146-F182 HydrophobicContact CZ-CE1 4.47Å; F146-F182 HydrophobicContact CZ-CG 4.26Å; Y163-F182 HydrophobicContact CD1-CB 4.28Å; Y163-F182 AromaticContact CD1-CD2 3.78Å; Y163-F182 HydrophobicContact CD1-CD2 3.78Å; Y163-F182 HydrophobicContact CD1-CG 4.37Å; Y163-F182 HydrophobicContact CD2-CD2 4.12Å; Y163-F182 HydrophobicContact CD2-CE2 4.28Å; Y163-F182 HydrophobicContact CE1-CB 3.84Å; Y163-F182 AromaticContact CE1-CD2 3.66Å; Y163-F182 HydrophobicContact CE1-CD2 3.66Å; Y163-F182 HydrophobicContact CE1-CG 4.22Å; Y163-F182 HydrophobicContact CE2-CD2 4.01Å; Y163-F182 HydrophobicContact CE2-CE2 4.43Å; Y163-F182 HydrophobicContact CG-CD2 4.03Å; Y163-F182 HydrophobicContact CG-CE2 4.35Å; Y163-F182 AromaticContact CZ-CD2 3.79Å; I178-F182 HydrophobicContact CG2-CD2 3.63Å; I178-F182 HydrophobicContact CG2-CE2 3.61Å; I178-F182 PolarHBondContact O-N 3.31Å; F182-R184 PolarHBondContact O-N 3.41Å |
| 183 | R | 98.1 | Very high | 97.6 | Very high | 123 Ų | 123 | 50.6 Ų | 50.6 | 46% | 0.464 | 23% | 0.231 | S | C | . | . | trans | -69 | 125.2 | 167.2 | -67.8 | -64.1 | -173.9 | -169.6 | -2 | 109.7 | S179 Q180 L181 N185 D188 R189 | S179-R183 PolarHBondContact O-NE 3.47Å; Q180-R183 WeakPolarHBondContact O-CG 3.41Å; L181-R183 PolarHBondContact O-N 2.81Å; R183-N185 PolarHBondContact O-N 2.62Å; R183-D188 HydrophobicContact CB-CB 3.86Å; R183-D188 HydrophobicContact CG-CB 4.09Å; R183-R189 HydrophobicContact CB-CG 3.99Å; R183-R189 PolarHBondContact O-NE 3.25Å; R183-R189 PolarHBondContact O-NH2 2.79Å | ||
| 184 | R | 97 | Very high | 97.5 | Very high | 152 Ų | 152 | 47.2 Ų | 47.2 | 57% | 0.574 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -56.4 | -50.3 | -177 | -70.3 | -172.1 | -74.5 | 174.3 | -3.8 | 113 | I159 R160 F182 P186 R189 | I159-R184 WeakPolarHBondContact O-CD 3.25Å; R160-R184 WeakPolarHBondContact O-CD 3.48Å; F182-R184 PolarHBondContact O-N 3.41Å; R184-P186 WeakPolarHBondContact O-CD 3.45Å; R184-R189 PolarHBondContact O-NH2 3Å |
| 185 | N | 95.8 | Very high | 97.5 | Very high | 68 Ų | 68 | 47.2 Ų | 47.2 | 36% | 0.364 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -71.2 | 121.5 | 173.3 | 168.2 | 23.5 | 0 | 0 | 0 | 109.6 | R183 R187 D188 | R183-N185 PolarHBondContact O-N 2.62Å; N185-R187 PolarHBondContact O-N 3.41Å; N185-R187 VanDerWaalsContact O-N 3.16Å; N185-R187 PolarHBondContact OD1-N 2.92Å; N185-D188 WeakPolarHBondContact CB-OD2 3.41Å; N185-D188 PolarHBondContact ND2-OD1 3Å; N185-D188 PolarHBondContact ND2-OD2 3.43Å; N185-D188 PolarHBondContact O-N 3.49Å; N185-D188 VanDerWaalsContact O-N 3.09Å |
| 186 | P | 96.2 | Very high | 97.4 | Very high | 23 Ų | 23 | 43.4 Ų | 43.4 | 15% | 0.149 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -57.9 | -32.1 | -176.9 | -24.5 | 33.2 | 0 | 0 | 0 | 113.8 | E116 K126 R184 D188 R189 | E116-P186 HydrophobicContact CB-CG 4Å; E116-P186 HydrophobicContact CG-CG 3.9Å; K126-P186 HydrophobicContact CB-CB 3.76Å; K126-P186 VanDerWaalsContact CB-O 3.29Å; K126-P186 WeakPolarHBondContact CB-O 3.38Å; K126-P186 HydrophobicContact CG-CB 4.48Å; K126-P186 VanDerWaalsContact CG-O 3.26Å; K126-P186 WeakPolarHBondContact CG-O 3.28Å; R184-P186 WeakPolarHBondContact O-CD 3.45Å; P186-D188 VanDerWaalsContact C-N 3.29Å; P186-D188 PolarHBondContact O-N 3.23Å; P186-R189 WeakPolarHBondContact O-CB 3.46Å; P186-R189 PolarHBondContact O-N 3.08Å |
| 187 | R | 95.5 | Very high | 97.3 | Very high | 187 Ų | 187 | 46.3 Ų | 46.3 | 71% | 0.706 | 21% | 0.213 | S | C | * | . | G | 310 helix | trans | -64.2 | -32.9 | 179.4 | -67.9 | -178.8 | 175.3 | 148.2 | -1.1 | 113.3 | K126 N185 R189 | K126-R187 PolarHBondContact NZ-O 2.97Å; N185-R187 PolarHBondContact O-N 3.41Å; N185-R187 VanDerWaalsContact O-N 3.16Å; N185-R187 PolarHBondContact OD1-N 2.92Å; R187-R189 PolarHBondContact O-N 3.2Å |
| 188 | D | 97.6 | Very high | 97.2 | Very high | 100 Ų | 100 | 48.4 Ų | 48.4 | 54% | 0.535 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -78.9 | -6.3 | -178.1 | -55.9 | -21.5 | 0 | 0 | 0 | 112 | R183 N185 P186 | R183-D188 HydrophobicContact CB-CB 3.86Å; R183-D188 HydrophobicContact CG-CB 4.09Å; N185-D188 WeakPolarHBondContact CB-OD2 3.41Å; N185-D188 PolarHBondContact ND2-OD1 3Å; N185-D188 PolarHBondContact ND2-OD2 3.43Å; N185-D188 PolarHBondContact O-N 3.49Å; N185-D188 VanDerWaalsContact O-N 3.09Å; P186-D188 VanDerWaalsContact C-N 3.29Å; P186-D188 PolarHBondContact O-N 3.23Å |
| 189 | R | 98.3 | Very high | 97.1 | Very high | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.008 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -79.2 | 138.6 | 170.8 | -54.5 | 177.4 | -164 | 143.8 | 12.2 | 109.9 | E116 K126 I129 L181 R183 R184 P186 R187 | E116-R189 IonicContact OE1-CZ 3.21Å; E116-R189 IonicContact OE1-NH1 3.82Å; E116-R189 PolarHBondContact OE1-NH1 3.46Å; E116-R189 IonicContact OE1-NH2 3.69Å; E116-R189 IonicContact OE2-CZ 2.79Å; E116-R189 IonicContact OE2-NH1 3Å; E116-R189 PolarHBondContact OE2-NH1 3.49Å; E116-R189 IonicContact OE2-NH2 3.27Å; E116-R189 PolarHBondContact OE2-NH2 3.14Å; K126-R189 HydrophobicContact CD-CB 4.36Å; K126-R189 WeakPolarHBondContact CD-O 3.44Å; K126-R189 PolarHBondContact NZ-O 3.04Å; K126-R189 WeakPolarHBondContact O-CD 3.47Å; K126-R189 PolarHBondContact O-NH1 2.88Å; I129-R189 HydrophobicContact CG2-CB 4.03Å; L181-R189 VanDerWaalsContact O-CD 3.28Å; L181-R189 WeakPolarHBondContact O-CD 3.46Å; L181-R189 WeakPolarHBondContact O-CG 3.4Å; R183-R189 HydrophobicContact CB-CG 3.99Å; R183-R189 PolarHBondContact O-NE 3.25Å; R183-R189 PolarHBondContact O-NH2 2.79Å; R184-R189 PolarHBondContact O-NH2 3Å; P186-R189 WeakPolarHBondContact O-CB 3.46Å; P186-R189 PolarHBondContact O-N 3.08Å; R187-R189 PolarHBondContact O-N 3.2Å |
| 190 | P | 98.1 | Very high | 96.9 | Very high | 20 Ų | 20 | 52.4 Ų | 52.4 | 13% | 0.13 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -67.6 | 140.3 | 177.4 | 28.7 | -34.1 | 0 | 0 | 0 | 110.8 | Q180 L181 A194 I195 | Q180-P190 HydrophobicContact CB-CG 4.19Å; Q180-P190 VanDerWaalsContact O-CD 3.29Å; Q180-P190 WeakPolarHBondContact O-CD 3.49Å; L181-P190 HydrophobicContact CD2-CG 4.23Å; P190-A194 HydrophobicContact CB-CB 4.05Å; P190-I195 HydrophobicContact CB-CG1 4.03Å; P190-I195 HydrophobicContact CG-CD1 4.21Å; P190-I195 HydrophobicContact CG-CG1 3.76Å |
| 191 | S | 96.4 | Very high | 96.8 | Very high | 13 Ų | 13 | 50.5 Ų | 50.5 | 9% | 0.091 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -62.5 | 157.8 | 167.9 | 63.9 | 0 | 0 | 0 | 0 | 111.3 | N193 A194 I195 D1154 | S191-N193 PolarHBondContact O-N 2.92Å; S191-A194 CarbonylContact O-C 3.58Å; S191-A194 WeakPolarHBondContact O-CA 3.43Å; S191-A194 WeakPolarHBondContact O-CB 3.31Å; S191-A194 PolarHBondContact O-N 3.48Å; S191-A194 PolarHBondContact OG-N 3.4Å; S191-I195 PolarHBondContact O-N 3.03Å; S191-D1154 WeakPolarHBondContact CB-OD2 3.38Å |
| 192 | I | 97.5 | Very high | 96.5 | Very high | 3 Ų | 3 | 52.8 Ų | 52.8 | 2% | 0.015 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.8 | -34 | -179.1 | -163.1 | 57.6 | 0 | 0 | 0 | 112.7 | C56 L59 K60 H63 I129 L132 I195 L196 | C56-I192 HydrophobicContact CB-CD1 3.85Å; C56-I192 WeakPolarHBondContact O-CG1 3.28Å; L59-I192 HydrophobicContact CB-CD1 4.23Å; L59-I192 HydrophobicContact CB-CG1 4.1Å; L59-I192 HydrophobicContact CD2-CD1 4.08Å; L59-I192 HydrophobicContact CD2-CG1 4.43Å; L59-I192 HydrophobicContact CG-CD1 4.45Å; L59-I192 HydrophobicContact CG-CG1 4.31Å; K60-I192 HydrophobicContact CB-CG1 4.22Å; K60-I192 HydrophobicContact CB-CG2 4.12Å; H63-I192 HydrophobicContact CB-CG2 4.02Å; I129-I192 HydrophobicContact CD1-CB 3.99Å; I129-I192 HydrophobicContact CD1-CD1 4.1Å; L132-I192 HydrophobicContact CD2-CD1 3.7Å; I192-I195 HydrophobicContact CD1-CB 4.49Å; I192-I195 HydrophobicContact CD1-CD1 4Å; I192-I195 PolarHBondContact O-N 3.25Å; I192-L196 PolarHBondContact O-N 3.37Å |
| 193 | N | 94.5 | Very high | 96.2 | Very high | 48 Ų | 48 | 58.9 Ų | 58.9 | 26% | 0.257 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -68.9 | -28.8 | 172.3 | -72.3 | -64.2 | 0 | 0 | 0 | 112.7 | K60 D64 S191 R197 | K60-N193 WeakPolarHBondContact CD-OD1 3.47Å; K60-N193 PolarHBondContact NZ-OD1 3.49Å; D64-N193 PolarHBondContact OD1-ND2 3.29Å; S191-N193 PolarHBondContact O-N 2.92Å; N193-R197 WeakPolarHBondContact O-CG 3.48Å; N193-R197 PolarHBondContact O-N 3.22Å; N193-R197 PolarHBondContact O-NE 3.44Å |
| 194 | A | 96.6 | Very high | 96 | Very high | 26 Ų | 26 | 54.7 Ų | 54.7 | 22% | 0.215 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -75.9 | -31.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113 | P190 S191 | P190-A194 HydrophobicContact CB-CB 4.05Å; S191-A194 CarbonylContact O-C 3.58Å; S191-A194 WeakPolarHBondContact O-CA 3.43Å; S191-A194 WeakPolarHBondContact O-CB 3.31Å; S191-A194 PolarHBondContact O-N 3.48Å; S191-A194 PolarHBondContact OG-N 3.4Å |
| 195 | I | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.4 | -53 | 173.1 | -63.1 | 168.2 | 0 | 0 | 0 | 110.3 | F52 I129 L132 L177 L181 P190 S191 I192 R197 K198 L201 | F52-I195 HydrophobicContact CE1-CG2 3.79Å; F52-I195 HydrophobicContact CZ-CG2 4.21Å; I129-I195 HydrophobicContact CD1-CD1 3.99Å; I129-I195 HydrophobicContact CG2-CD1 4.2Å; L132-I195 HydrophobicContact CD2-CD1 4.15Å; L177-I195 HydrophobicContact CD1-CG1 4.35Å; L177-I195 HydrophobicContact CD1-CG2 4.3Å; L181-I195 HydrophobicContact CD2-CD1 3.55Å; L181-I195 HydrophobicContact CD2-CG1 4.36Å; P190-I195 HydrophobicContact CB-CG1 4.03Å; P190-I195 HydrophobicContact CG-CD1 4.21Å; P190-I195 HydrophobicContact CG-CG1 3.76Å; S191-I195 PolarHBondContact O-N 3.03Å; I192-I195 HydrophobicContact CD1-CB 4.49Å; I192-I195 HydrophobicContact CD1-CD1 4Å; I192-I195 PolarHBondContact O-N 3.25Å; I195-R197 PolarHBondContact O-N 3.01Å; I195-K198 WeakPolarHBondContact O-CB 3.26Å; I195-K198 WeakPolarHBondContact O-CG 3.36Å; I195-K198 PolarHBondContact O-N 3.24Å; I195-L201 HydrophobicContact CG2-CD1 3.66Å |
| 196 | L | 96.7 | Very high | 95.6 | Very high | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.1 | -23.4 | -178 | -76.1 | 167.1 | 0 | 0 | 0 | 114 | V53 C56 L57 K60 I192 K198 S202 I205 F218 | V53-L196 HydrophobicContact CG2-CD2 4.03Å; C56-L196 HydrophobicContact CB-CD1 4.38Å; C56-L196 HydrophobicContact CB-CD2 3.62Å; C56-L196 HydrophobicContact CB-CG 3.93Å; L57-L196 HydrophobicContact CD2-CD1 4.07Å; L57-L196 HydrophobicContact CD2-CD2 3.97Å; L57-L196 HydrophobicContact CG-CD2 4.15Å; K60-L196 HydrophobicContact CB-CD1 3.76Å; K60-L196 HydrophobicContact CD-CD1 3.49Å; K60-L196 VanDerWaalsContact CD-CD1 3.49Å; K60-L196 HydrophobicContact CG-CD1 4.2Å; I192-L196 PolarHBondContact O-N 3.37Å; L196-K198 VanDerWaalsContact C-N 3.29Å; L196-K198 PolarHBondContact O-N 2.8Å; L196-S202 WeakPolarHBondContact O-CB 3.07Å; L196-I205 HydrophobicContact CB-CD1 4.37Å; L196-I205 HydrophobicContact CD2-CD1 4.09Å; L196-I205 HydrophobicContact CD2-CG1 4.31Å; L196-F218 HydrophobicContact CD1-CZ 4.47Å |
| 197 | R | 95.5 | Very high | 95.3 | Very high | 109 Ų | 109 | 56.7 Ų | 56.7 | 41% | 0.411 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -16.3 | 173.3 | -83.5 | 178.7 | -74.3 | 165.8 | -7.3 | 114.1 | N193 I195 D1157 | N193-R197 WeakPolarHBondContact O-CG 3.48Å; N193-R197 PolarHBondContact O-N 3.22Å; N193-R197 PolarHBondContact O-NE 3.44Å; I195-R197 PolarHBondContact O-N 3.01Å; R197-D1157 IonicContact CZ-OD1 3.16Å; R197-D1157 IonicContact CZ-OD2 3.81Å; R197-D1157 IonicContact NH1-OD1 3.81Å; R197-D1157 PolarHBondContact NH1-OD1 3.36Å; R197-D1157 IonicContact NH1-OD2 2.86Å; R197-D1157 IonicContact NH2-OD1 2.77Å; R197-D1157 PolarHBondContact NH2-OD1 3.15Å; R197-D1157 IonicContact NH2-OD2 2.72Å; R197-D1157 PolarHBondContact NH2-OD2 3.14Å |
| 198 | K | 96.9 | Very high | 95.2 | Very high | 45 Ų | 45 | 49.5 Ų | 49.5 | 20% | 0.196 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -64.5 | 132.4 | -176.8 | -65.7 | -179 | -173.7 | -64.4 | 0 | 111 | L177 I195 L196 F200 L201 S202 | L177-K198 HydrophobicContact CD1-CD 4.19Å; I195-K198 WeakPolarHBondContact O-CB 3.26Å; I195-K198 WeakPolarHBondContact O-CG 3.36Å; I195-K198 PolarHBondContact O-N 3.24Å; L196-K198 VanDerWaalsContact C-N 3.29Å; L196-K198 PolarHBondContact O-N 2.8Å; K198-F200 HydrophobicContact CB-CD1 4.05Å; K198-F200 HydrophobicContact CB-CE1 3.66Å; K198-F200 HydrophobicContact CB-CZ 4.22Å; K198-F200 HydrophobicContact CD-CE1 3.91Å; K198-F200 HydrophobicContact CD-CZ 4.01Å; K198-F200 HydrophobicContact CG-CE1 4.34Å; K198-F200 PolarHBondContact O-N 3.17Å; K198-L201 PolarHBondContact O-N 2.84Å; K198-S202 PolarHBondContact O-N 2.86Å; K198-S202 PolarHBondContact O-OG 3.15Å |
| 199 | P | 95.4 | Very high | 94.9 | Very high | 87 Ų | 87 | 45 Ų | 45 | 57% | 0.565 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -59.3 | -17.7 | -169.5 | -29.6 | 36.3 | 0 | 0 | 0 | 117.7 | K203 | P199-K203 WeakPolarHBondContact O-CD 3.24Å; P199-K203 WeakPolarHBondContact O-CE 3.42Å; P199-K203 VanDerWaalsContact O-CG 3.24Å; P199-K203 WeakPolarHBondContact O-CG 3.39Å |
| 200 | F | 95.4 | Very high | 94.4 | Very high | 41 Ų | 41 | 48.3 Ų | 48.3 | 18% | 0.18 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -89.6 | -13.6 | 177.2 | 63.2 | -86.6 | 0 | 0 | 0 | 113.5 | L49 E173 L177 K198 R204 | L49-F200 HydrophobicContact CD1-CD2 4.36Å; L49-F200 HydrophobicContact CD2-CD2 3.71Å; L49-F200 HydrophobicContact CD2-CE2 3.87Å; E173-F200 HydrophobicContact CB-CD1 3.7Å; E173-F200 HydrophobicContact CB-CD2 4.38Å; E173-F200 HydrophobicContact CB-CE1 3.67Å; E173-F200 HydrophobicContact CB-CE2 4.34Å; E173-F200 HydrophobicContact CB-CG 4.07Å; E173-F200 HydrophobicContact CB-CZ 4Å; E173-F200 HydrophobicContact CG-CD1 3.76Å; E173-F200 HydrophobicContact CG-CE1 4.04Å; E173-F200 HydrophobicContact CG-CG 4.34Å; L177-F200 HydrophobicContact CB-CZ 4.27Å; L177-F200 HydrophobicContact CD2-CE2 4.15Å; L177-F200 HydrophobicContact CD2-CZ 4.01Å; K198-F200 HydrophobicContact CB-CD1 4.05Å; K198-F200 HydrophobicContact CB-CE1 3.66Å; K198-F200 HydrophobicContact CB-CZ 4.22Å; K198-F200 HydrophobicContact CD-CE1 3.91Å; K198-F200 HydrophobicContact CD-CZ 4.01Å; K198-F200 HydrophobicContact CG-CE1 4.34Å; K198-F200 PolarHBondContact O-N 3.17Å; F200-R204 PolarHBondContact O-NE 3.04Å |
| 201 | L | 96 | Very high | 93.6 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -104 | -41.1 | 174.6 | -64.9 | 175.5 | 0 | 0 | 0 | 112 | L49 F52 V53 L177 I195 K198 K203 R204 | L49-L201 HydrophobicContact CD2-CD2 3.79Å; F52-L201 HydrophobicContact CD1-CD1 3.99Å; F52-L201 HydrophobicContact CD1-CD2 3.94Å; F52-L201 HydrophobicContact CE1-CD1 3.81Å; V53-L201 HydrophobicContact CB-CD2 4.34Å; L177-L201 HydrophobicContact CD2-CD1 4.27Å; I195-L201 HydrophobicContact CG2-CD1 3.66Å; K198-L201 PolarHBondContact O-N 2.84Å; L201-K203 PolarHBondContact O-N 2.91Å; L201-R204 WeakPolarHBondContact O-CB 3.33Å; L201-R204 PolarHBondContact O-N 3.31Å |
| 202 | S | 93.1 | Very high | 92.9 | Very high | 48 Ų | 48 | 59.6 Ų | 59.6 | 34% | 0.336 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.9 | -35.9 | -179.8 | 60.6 | 0 | 0 | 0 | 0 | 112.6 | L196 K198 R204 I205 | L196-S202 WeakPolarHBondContact O-CB 3.07Å; K198-S202 PolarHBondContact O-N 2.86Å; K198-S202 PolarHBondContact O-OG 3.15Å; S202-R204 PolarHBondContact O-N 3.17Å; S202-R204 VanDerWaalsContact O-N 3.09Å; S202-I205 PolarHBondContact O-N 3.43Å |
| 203 | K | 91.7 | Very high | 92.4 | Very high | 138 Ų | 138 | 62.2 Ų | 62.2 | 60% | 0.6 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -67.7 | 3.7 | 171.8 | -64.2 | 176.8 | -168.9 | 173.4 | 0 | 115.1 | P199 L201 Y206 | P199-K203 WeakPolarHBondContact O-CD 3.24Å; P199-K203 WeakPolarHBondContact O-CE 3.42Å; P199-K203 VanDerWaalsContact O-CG 3.24Å; P199-K203 WeakPolarHBondContact O-CG 3.39Å; L201-K203 PolarHBondContact O-N 2.91Å; K203-Y206 WeakPolarHBondContact O-CE1 3.22Å |
| 204 | R | 94.6 | Very high | 91.8 | Very high | 34 Ų | 34 | 62.6 Ų | 62.6 | 13% | 0.128 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -116.7 | -18.1 | 176.6 | -60.3 | 176.4 | -179.5 | -93.2 | 5.9 | 113.1 | S46 D50 V53 F200 L201 S202 Y206 R207 Y208 | S46-R204 PolarHBondContact O-NH1 3.26Å; S46-R204 PolarHBondContact OG-NH1 3.16Å; S46-R204 PolarHBondContact OG-NH2 3.33Å; D50-R204 WeakPolarHBondContact OD1-CD 3.37Å; D50-R204 IonicContact OD1-CZ 3.19Å; D50-R204 IonicContact OD1-NH1 3.78Å; D50-R204 PolarHBondContact OD1-NH1 2.86Å; D50-R204 IonicContact OD2-NH1 2.76Å; D50-R204 PolarHBondContact OD2-NH1 3.13Å; V53-R204 HydrophobicContact CB-CB 4.41Å; V53-R204 HydrophobicContact CG1-CB 3.97Å; V53-R204 HydrophobicContact CG2-CB 4.33Å; F200-R204 PolarHBondContact O-NE 3.04Å; L201-R204 WeakPolarHBondContact O-CB 3.33Å; L201-R204 PolarHBondContact O-N 3.31Å; S202-R204 PolarHBondContact O-N 3.17Å; S202-R204 VanDerWaalsContact O-N 3.09Å; R204-Y206 VanDerWaalsContact C-N 3.32Å; R204-Y206 PolarHBondContact O-N 3.32Å; R204-R207 VanDerWaalsContact O-CB 3.29Å; R204-R207 WeakPolarHBondContact O-CB 3.21Å; R204-R207 PolarHBondContact O-N 2.89Å; R204-Y208 WeakPolarHBondContact O-CD2 3.48Å |
| 205 | I | 93.7 | Very high | 90.9 | Very high | 15 Ų | 15 | 63.9 Ų | 63.9 | 8% | 0.077 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -56.2 | -44.2 | -176.4 | -63.1 | 173.9 | 0 | 0 | 0 | 111.9 | V53 L57 L196 S202 R207 Y208 L209 M214 F218 | V53-I205 HydrophobicContact CG2-CG1 3.95Å; L57-I205 HydrophobicContact CD1-CG2 4.36Å; L57-I205 HydrophobicContact CD2-CG1 4.3Å; L57-I205 HydrophobicContact CD2-CG2 4.01Å; L196-I205 HydrophobicContact CB-CD1 4.37Å; L196-I205 HydrophobicContact CD2-CD1 4.09Å; L196-I205 HydrophobicContact CD2-CG1 4.31Å; S202-I205 PolarHBondContact O-N 3.43Å; I205-R207 PolarHBondContact O-N 3.07Å; I205-Y208 PolarHBondContact O-N 3.45Å; I205-L209 HydrophobicContact CG2-CD1 4.24Å; I205-L209 HydrophobicContact CG2-CG 4.5Å; I205-L209 PolarHBondContact O-N 3.07Å; I205-L209 VanDerWaalsContact O-N 3.09Å; I205-M214 HydrophobicContact CG2-CG 4.4Å; I205-M214 HydrophobicContact CG2-SD 4.27Å; I205-F218 HydrophobicContact CD1-CZ 4.01Å; I205-F218 HydrophobicContact CG2-CE2 4.17Å; I205-F218 HydrophobicContact CG2-CZ 4.37Å |
| 206 | Y | 89.4 | Confident | 90 | Very high | 148 Ų | 148 | 68.2 Ų | 68.2 | 58% | 0.58 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -8.5 | -179.2 | 70 | -100.3 | 0 | 0 | 0 | 114.7 | K203 R204 | K203-Y206 WeakPolarHBondContact O-CE1 3.22Å; R204-Y206 VanDerWaalsContact C-N 3.32Å; R204-Y206 PolarHBondContact O-N 3.32Å |
| 207 | R | 91.3 | Very high | 89.3 | Confident | 123 Ų | 123 | 68.7 Ų | 68.7 | 46% | 0.464 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -20.4 | 172.2 | -57.5 | 173.7 | 173.8 | -165.3 | -11 | 112.4 | D50 R204 I205 | D50-R207 VanDerWaalsContact CG-NH1 3.33Å; D50-R207 IonicContact OD1-CZ 3.63Å; D50-R207 IonicContact OD1-NH1 2.68Å; D50-R207 PolarHBondContact OD1-NH1 3.48Å; D50-R207 IonicContact OD2-NH1 3.95Å; D50-R207 PolarHBondContact OD2-NH1 3.29Å; R204-R207 VanDerWaalsContact O-CB 3.29Å; R204-R207 WeakPolarHBondContact O-CB 3.21Å; R204-R207 PolarHBondContact O-N 2.89Å; I205-R207 PolarHBondContact O-N 3.07Å |
| 208 | Y | 92.9 | Very high | 88.7 | Confident | 36 Ų | 36 | 67.9 Ų | 67.9 | 14% | 0.141 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.3 | -20.9 | -167.8 | -61.5 | -64.2 | 0 | 0 | 0 | 113.9 | D50 V53 Q54 R84 R204 I205 | D50-Y208 HydrophobicContact CB-CE2 4.35Å; D50-Y208 VanDerWaalsContact CB-OH 3.31Å; D50-Y208 WeakPolarHBondContact CB-OH 3.33Å; D50-Y208 PolarHBondContact OD1-OH 3.05Å; V53-Y208 HydrophobicContact CG1-CD2 3.66Å; V53-Y208 HydrophobicContact CG1-CE2 3.74Å; Q54-Y208 VanDerWaalsContact CD-CE1 3.49Å; Q54-Y208 HydrophobicContact CG-CD1 3.63Å; Q54-Y208 HydrophobicContact CG-CD2 3.85Å; Q54-Y208 HydrophobicContact CG-CE1 4.06Å; Q54-Y208 HydrophobicContact CG-CE2 4.25Å; Q54-Y208 HydrophobicContact CG-CG 3.54Å; R84-Y208 PolarHBondContact NH1-O 3.23Å; R84-Y208 PolarHBondContact NH2-O 3.34Å; R204-Y208 WeakPolarHBondContact O-CD2 3.48Å; I205-Y208 PolarHBondContact O-N 3.45Å |
| 209 | L | 90.5 | Very high | 87.1 | Confident | 6 Ų | 6 | 69.3 Ų | 69.3 | 3% | 0.031 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -114.8 | 136.5 | 170.7 | -61.3 | -171.4 | 0 | 0 | 0 | 111 | P4 L57 I205 E213 M214 F218 | P4-L209 HydrophobicContact CG-CD2 3.59Å; L57-L209 HydrophobicContact CD1-CD1 4.38Å; L57-L209 HydrophobicContact CD1-CD2 4.44Å; L57-L209 HydrophobicContact CD1-CG 4.05Å; L57-L209 HydrophobicContact CD2-CD1 3.98Å; I205-L209 HydrophobicContact CG2-CD1 4.24Å; I205-L209 HydrophobicContact CG2-CG 4.5Å; I205-L209 PolarHBondContact O-N 3.07Å; I205-L209 VanDerWaalsContact O-N 3.09Å; L209-E213 HydrophobicContact CB-CB 3.99Å; L209-E213 HydrophobicContact CD2-CB 4.04Å; L209-E213 HydrophobicContact CG-CB 4.39Å; L209-M214 HydrophobicContact CB-CG 3.51Å; L209-M214 HydrophobicContact CD1-CG 4.12Å; L209-M214 HydrophobicContact CG-CG 4.45Å; L209-F218 HydrophobicContact CD1-CE2 4.03Å |
| 210 | T | 87.1 | Confident | 85.1 | Confident | 70 Ų | 70 | 68 Ų | 68 | 43% | 0.429 | 34% | 0.336 | S | S | . | . | trans | -64 | 164.1 | 165.3 | 58 | 0 | 0 | 0 | 0 | 111.4 | T212 E213 M214 | T210-T212 PolarHBondContact O-N 3.3Å; T210-T212 PolarHBondContact OG1-OG1 3.15Å; T210-E213 VanDerWaalsContact CB-OE2 3.31Å; T210-E213 WeakPolarHBondContact CB-OE2 3.43Å; T210-E213 WeakPolarHBondContact CG2-OE2 3.44Å; T210-E213 PolarHBondContact N-OE2 3.12Å; T210-E213 PolarHBondContact O-N 3.05Å; T210-E213 VanDerWaalsContact O-N 3.12Å; T210-E213 VanDerWaalsContact OG1-CD 3.27Å; T210-E213 VanDerWaalsContact OG1-CG 3.29Å; T210-E213 WeakPolarHBondContact OG1-CG 3.5Å; T210-E213 PolarHBondContact OG1-N 2.88Å; T210-E213 VanDerWaalsContact OG1-N 3.15Å; T210-E213 PolarHBondContact OG1-OE2 3.09Å; T210-M214 WeakPolarHBondContact O-CG 3.45Å; T210-M214 PolarHBondContact O-N 3.06Å | ||
| 211 | E | 82 | Confident | 82.3 | Confident | 171 Ų | 171 | 71.9 Ų | 71.9 | 80% | 0.799 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -54.4 | -36.8 | 172.7 | -63.3 | -173.7 | 163.4 | 0 | 0 | 112.5 | M214 A215 | E211-M214 HydrophobicContact CG-CE 4.49Å; E211-A215 WeakPolarHBondContact O-CB 3.46Å; E211-A215 PolarHBondContact O-N 3.27Å |
| 212 | T | 82.5 | Confident | 79.4 | Confident | 100 Ų | 100 | 75.3 Ų | 75.3 | 61% | 0.613 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -65.9 | -45.8 | 174.8 | 31.4 | 0 | 0 | 0 | 0 | 113.1 | T210 A215 E216 | T210-T212 PolarHBondContact O-N 3.3Å; T210-T212 PolarHBondContact OG1-OG1 3.15Å; T212-A215 PolarHBondContact O-N 3.39Å; T212-E216 PolarHBondContact O-N 3.37Å |
| 213 | E | 85.7 | Confident | 76.4 | Confident | 57 Ų | 57 | 78.3 Ų | 78.3 | 27% | 0.266 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -71.8 | -34.7 | 178.7 | -67.6 | 158 | 134.2 | 0 | 0 | 111.7 | P4 L209 T210 A215 E216 E217 | P4-E213 WeakPolarHBondContact CD-OE1 3.34Å; P4-E213 WeakPolarHBondContact CG-OE1 3.34Å; L209-E213 HydrophobicContact CB-CB 3.99Å; L209-E213 HydrophobicContact CD2-CB 4.04Å; L209-E213 HydrophobicContact CG-CB 4.39Å; T210-E213 VanDerWaalsContact CB-OE2 3.31Å; T210-E213 WeakPolarHBondContact CB-OE2 3.43Å; T210-E213 WeakPolarHBondContact CG2-OE2 3.44Å; T210-E213 PolarHBondContact N-OE2 3.12Å; T210-E213 PolarHBondContact O-N 3.05Å; T210-E213 VanDerWaalsContact O-N 3.12Å; T210-E213 VanDerWaalsContact OG1-CD 3.27Å; T210-E213 VanDerWaalsContact OG1-CG 3.29Å; T210-E213 WeakPolarHBondContact OG1-CG 3.5Å; T210-E213 PolarHBondContact OG1-N 2.88Å; T210-E213 VanDerWaalsContact OG1-N 3.15Å; T210-E213 PolarHBondContact OG1-OE2 3.09Å; E213-A215 VanDerWaalsContact C-N 3.33Å; E213-E216 PolarHBondContact O-N 3.25Å; E213-E217 PolarHBondContact O-N 3.16Å |
| 214 | M | 82.4 | Confident | 73.5 | Confident | 56 Ų | 56 | 75.7 Ų | 75.7 | 28% | 0.276 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.7 | -41 | 170.3 | -71.4 | -167.4 | -71 | 0 | 0 | 111.2 | I205 L209 T210 E211 F218 | I205-M214 HydrophobicContact CG2-CG 4.4Å; I205-M214 HydrophobicContact CG2-SD 4.27Å; L209-M214 HydrophobicContact CB-CG 3.51Å; L209-M214 HydrophobicContact CD1-CG 4.12Å; L209-M214 HydrophobicContact CG-CG 4.45Å; T210-M214 WeakPolarHBondContact O-CG 3.45Å; T210-M214 PolarHBondContact O-N 3.06Å; E211-M214 HydrophobicContact CG-CE 4.49Å; M214-F218 VanDerWaalsContact O-CB 3.32Å; M214-F218 WeakPolarHBondContact O-CB 3.49Å; M214-F218 WeakPolarHBondContact O-CD2 3.44Å; M214-F218 PolarHBondContact O-N 2.82Å |
| 215 | A | 78.8 | Confident | 70.6 | Confident | 53 Ų | 53 | 81.1 Ų | 81.1 | 44% | 0.438 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.8 | -40.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | E211 T212 E213 S219 | E211-A215 WeakPolarHBondContact O-CB 3.46Å; E211-A215 PolarHBondContact O-N 3.27Å; T212-A215 PolarHBondContact O-N 3.39Å; E213-A215 VanDerWaalsContact C-N 3.33Å; A215-S219 WeakPolarHBondContact O-CB 3.5Å; A215-S219 PolarHBondContact O-N 3.42Å; A215-S219 VanDerWaalsContact O-N 3.1Å; A215-S219 PolarHBondContact O-OG 2.91Å |
| 216 | E | 79.3 | Confident | 67.7 | Low | 91 Ų | 91 | 88.3 Ų | 88.3 | 43% | 0.425 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -74.2 | -34.3 | 178.9 | -66.8 | -162 | 142.9 | 0 | 0 | 113.3 | T212 E213 H220 K228 | T212-E216 PolarHBondContact O-N 3.37Å; E213-E216 PolarHBondContact O-N 3.25Å; E216-H220 PolarHBondContact O-CD2 2.76Å; E216-H220 PolarHBondContact O-NE2 3.44Å; E216-K228 IonicContact OE1-NZ 3.77Å; E216-K228 PolarHBondContact OE1-NZ 3.23Å |
| 217 | E | 81.4 | Confident | 65.1 | Low | 15 Ų | 15 | 86 Ų | 86 | 7% | 0.07 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -87.8 | -18.3 | 177.4 | -62.8 | -55.1 | 136.6 | 0 | 0 | 114.5 | K60 H61 R65 E213 | K60-E217 WeakPolarHBondContact CE-O 3.45Å; K60-E217 PolarHBondContact NZ-O 3.14Å; H61-E217 IonicContact CE1-OE1 2.6Å; H61-E217 PolarHBondContact CE1-OE1 2.94Å; H61-E217 IonicContact CG-OE1 2.68Å; H61-E217 IonicContact CG-OE2 3.68Å; H61-E217 VanDerWaalsContact ND1-CD 3.27Å; H61-E217 IonicContact ND1-OE1 2.7Å; H61-E217 PolarHBondContact ND1-OE1 3.35Å; H61-E217 IonicContact ND1-OE2 2.76Å; H61-E217 PolarHBondContact ND1-OE2 2.78Å; R65-E217 IonicContact CZ-OE1 3.8Å; R65-E217 IonicContact CZ-OE2 3.27Å; R65-E217 IonicContact NH1-OE1 3.89Å; R65-E217 IonicContact NH1-OE2 2.72Å; R65-E217 PolarHBondContact NH1-OE2 3.12Å; R65-E217 IonicContact NH2-OE1 3.81Å; R65-E217 PolarHBondContact NH2-OE1 3.31Å; R65-E217 IonicContact NH2-OE2 2.98Å; E213-E217 PolarHBondContact O-N 3.16Å |
| 218 | F | 82.9 | Confident | 62.4 | Low | 91 Ų | 91 | 86.3 Ų | 86.3 | 40% | 0.399 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -118.5 | -4.3 | -176.5 | -64.3 | -94.8 | 0 | 0 | 0 | 116 | L57 K60 L196 I205 L209 M214 H220 | L57-F218 HydrophobicContact CD2-CE2 4.07Å; L57-F218 HydrophobicContact CD2-CZ 3.94Å; K60-F218 HydrophobicContact CD-CE1 3.97Å; K60-F218 HydrophobicContact CD-CE2 4.41Å; K60-F218 HydrophobicContact CD-CZ 3.81Å; L196-F218 HydrophobicContact CD1-CZ 4.47Å; I205-F218 HydrophobicContact CD1-CZ 4.01Å; I205-F218 HydrophobicContact CG2-CE2 4.17Å; I205-F218 HydrophobicContact CG2-CZ 4.37Å; L209-F218 HydrophobicContact CD1-CE2 4.03Å; M214-F218 VanDerWaalsContact O-CB 3.32Å; M214-F218 WeakPolarHBondContact O-CB 3.49Å; M214-F218 WeakPolarHBondContact O-CD2 3.44Å; M214-F218 PolarHBondContact O-N 2.82Å; F218-H220 VanDerWaalsContact C-N 3.28Å; F218-H220 PolarHBondContact O-N 2.8Å |
| 219 | S | 63.4 | Low | 59.3 | Low | 76 Ų | 76 | 94.2 Ų | 94.2 | 53% | 0.531 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -83.7 | 6.3 | 175.4 | 68.9 | 0 | 0 | 0 | 0 | 115 | A215 | A215-S219 WeakPolarHBondContact O-CB 3.5Å; A215-S219 PolarHBondContact O-N 3.42Å; A215-S219 VanDerWaalsContact O-N 3.1Å; A215-S219 PolarHBondContact O-OG 2.91Å |
| 220 | H | 53 | Low | 56.3 | Low | 59 Ų | 59 | 102.7 Ų | 102.7 | 27% | 0.273 | 52% | 0.522 | S | S | . | . | trans | -106.2 | 82.8 | -166.7 | -61.8 | -13.9 | 0 | 0 | 0 | 113.8 | E216 F218 V222 H224 | E216-H220 PolarHBondContact O-CD2 2.76Å; E216-H220 PolarHBondContact O-NE2 3.44Å; F218-H220 VanDerWaalsContact C-N 3.28Å; F218-H220 PolarHBondContact O-N 2.8Å; H220-V222 PolarHBondContact O-N 2.8Å; H220-H224 AromaticContact CD2-CG 3.89Å; H220-H224 AromaticContact CE1-CD2 3.72Å; H220-H224 AromaticContact CE1-CE1 3.46Å; H220-H224 PolarHBondContact CE1-CE1 3.02Å; H220-H224 VanDerWaalsContact CE1-CE1 3.46Å; H220-H224 AromaticContact CE1-CG 3.28Å; H220-H224 AromaticContact CE1-ND1 3.11Å; H220-H224 PolarHBondContact CE1-ND1 2.8Å; H220-H224 AromaticContact CE1-NE2 3.88Å; H220-H224 AromaticContact ND1-ND1 3.7Å; H220-H224 VanDerWaalsContact NE2-CB 3.26Å; H220-H224 WeakPolarHBondContact NE2-CB 3.28Å; H220-H224 AromaticContact NE2-CD2 3.41Å; H220-H224 PolarHBondContact NE2-CD2 3.18Å; H220-H224 AromaticContact NE2-CE1 3.95Å; H220-H224 AromaticContact NE2-CG 3.11Å; H220-H224 AromaticContact NE2-ND1 3.49Å; H220-H224 PolarHBondContact NE2-ND1 2.91Å; H220-H224 AromaticContact NE2-NE2 3.99Å | ||
| 221 | T | 37 | Very low | 53.7 | Low | 123 Ų | 123 | 104.8 Ų | 104.8 | 76% | 0.755 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -69.7 | 106.8 | 139.9 | 51.9 | 0 | 0 | 0 | 0 | 108.1 | ||
| 222 | V | 34.7 | Very low | 51.2 | Low | 71 Ų | 71 | 104.7 Ų | 104.7 | 43% | 0.43 | 54% | 0.535 | S | S | . | . | S | Bend | trans | 70.1 | 109.8 | 173.4 | -167.7 | 0 | 0 | 0 | 0 | 116.5 | H220 L1149 | H220-V222 PolarHBondContact O-N 2.8Å; V222-L1149 HydrophobicContact CG2-CD2 4.11Å |
| 223 | L | 30.6 | Very low | 48.7 | Very low | 112 Ų | 112 | 106 Ų | 106 | 59% | 0.586 | 54% | 0.538 | S | S | * | . | trans | 39.1 | 98 | 151.4 | -56.1 | 175.7 | 0 | 0 | 0 | 118.5 | E225 | L223-E225 PolarHBondContact O-N 3.07Š| ||
| 224 | H | 30.6 | Very low | 46.3 | Very low | 82 Ų | 82 | 108.1 Ų | 108.1 | 38% | 0.38 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.9 | 72.3 | -173.6 | -160.4 | 61.7 | 0 | 0 | 0 | 116.2 | H220 K228 | H220-H224 AromaticContact CD2-CG 3.89Å; H220-H224 AromaticContact CE1-CD2 3.72Å; H220-H224 AromaticContact CE1-CE1 3.46Å; H220-H224 PolarHBondContact CE1-CE1 3.02Å; H220-H224 VanDerWaalsContact CE1-CE1 3.46Å; H220-H224 AromaticContact CE1-CG 3.28Å; H220-H224 AromaticContact CE1-ND1 3.11Å; H220-H224 PolarHBondContact CE1-ND1 2.8Å; H220-H224 AromaticContact CE1-NE2 3.88Å; H220-H224 AromaticContact ND1-ND1 3.7Å; H220-H224 VanDerWaalsContact NE2-CB 3.26Å; H220-H224 WeakPolarHBondContact NE2-CB 3.28Å; H220-H224 AromaticContact NE2-CD2 3.41Å; H220-H224 PolarHBondContact NE2-CD2 3.18Å; H220-H224 AromaticContact NE2-CE1 3.95Å; H220-H224 AromaticContact NE2-CG 3.11Å; H220-H224 AromaticContact NE2-ND1 3.49Å; H220-H224 PolarHBondContact NE2-ND1 2.91Å; H220-H224 AromaticContact NE2-NE2 3.99Å; H224-K228 PolarHBondContact NE2-NZ 3.18Å; H224-K228 VanDerWaalsContact NE2-NZ 3.11Å |
| 225 | E | 33 | Very low | 43.8 | Very low | 149 Ų | 149 | 110.1 Ų | 110.1 | 70% | 0.696 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.9 | -0 | 158 | -134.1 | -158.7 | 134 | 0 | 0 | 117.2 | L223 | L223-E225 PolarHBondContact O-N 3.07Š|
| 226 | H | 34 | Very low | 41.6 | Very low | 165 Ų | 165 | 113.7 Ų | 113.7 | 76% | 0.764 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -111 | -10.9 | -174.9 | -80.8 | 12.7 | 0 | 0 | 0 | 116.9 | ||
| 227 | S | 33.6 | Very low | 39.4 | Very low | 100 Ų | 100 | 114.6 Ų | 114.6 | 70% | 0.699 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -92.1 | -11 | -175.5 | -63.4 | 0 | 0 | 0 | 0 | 116.2 | R229 | S227-R229 PolarHBondContact O-N 2.86Š|
| 228 | K | 34.1 | Very low | 37.2 | Very low | 130 Ų | 130 | 119 Ų | 119 | 57% | 0.565 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | 27.9 | 177.1 | -87.6 | 167.9 | 173.7 | 151 | 0 | 113.8 | E216 H224 | E216-K228 IonicContact OE1-NZ 3.77Å; E216-K228 PolarHBondContact OE1-NZ 3.23Å; H224-K228 PolarHBondContact NE2-NZ 3.18Å; H224-K228 VanDerWaalsContact NE2-NZ 3.11Å |
| 229 | R | 28.4 | Very low | 34.9 | Very low | 202 Ų | 202 | 120.3 Ų | 120.3 | 76% | 0.762 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146.5 | 32.2 | 174.7 | -74.7 | -164.9 | 175.6 | -175.1 | 0.7 | 114.6 | S227 | S227-R229 PolarHBondContact O-N 2.86Š|
| 230 | K | 27.9 | Very low | 33.5 | Very low | 183 Ų | 183 | 122.1 Ų | 122.1 | 80% | 0.796 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -163.2 | 70.1 | 172.2 | -112.8 | 164.5 | -172 | 175.2 | 0 | 113.9 | ||
| 231 | N | 31.7 | Very low | 32.6 | Very low | 115 Ų | 115 | 125.6 Ų | 125.6 | 62% | 0.615 | 65% | 0.647 | S | S | * | * | trans | 176 | 84 | 144.4 | -96.4 | -25.1 | 0 | 0 | 0 | 114 | N233 | N231-N233 PolarHBondContact O-N 3.24Š| ||
| 232 | D | 30.5 | Very low | 32.5 | Very low | 168 Ų | 168 | 125.9 Ų | 125.9 | 90% | 0.898 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | 38.4 | 157.9 | -57.8 | -68.8 | 0 | 0 | 0 | 111.7 | ||
| 233 | N | 29.9 | Very low | 32.5 | Very low | 127 Ų | 127 | 129.8 Ų | 129.8 | 68% | 0.679 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.9 | 1.1 | -175.1 | -83.6 | -58.8 | 0 | 0 | 0 | 113.6 | N231 | N231-N233 PolarHBondContact O-N 3.24Š|
| 234 | L | 35.1 | Very low | 32.7 | Very low | 103 Ų | 103 | 132.1 Ų | 132.1 | 54% | 0.539 | 66% | 0.663 | S | S | . | * | G | 310 helix | trans | -83.4 | -9.7 | -179 | -162.6 | 58.5 | 0 | 0 | 0 | 113.7 | N236 N237 L238 | L234-N236 PolarHBondContact O-N 3.22Å; L234-N236 VanDerWaalsContact O-N 3.09Å; L234-N237 PolarHBondContact O-N 2.93Å; L234-L238 HydrophobicContact CG-CD1 4.38Å |
| 235 | S | 30.3 | Very low | 32.7 | Very low | 98 Ų | 98 | 137.1 Ų | 137.1 | 69% | 0.685 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -63.8 | -13.9 | -179.5 | -54.4 | 0 | 0 | 0 | 0 | 115 | ||
| 236 | N | 31.9 | Very low | 32.5 | Very low | 127 Ų | 127 | 139.1 Ų | 139.1 | 68% | 0.679 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -94.3 | -11.7 | -175.6 | -70.8 | -11.5 | 0 | 0 | 0 | 114.8 | L234 | L234-N236 PolarHBondContact O-N 3.22Å; L234-N236 VanDerWaalsContact O-N 3.09Å |
| 237 | N | 32.9 | Very low | 32.2 | Very low | 111 Ų | 111 | 139.4 Ų | 139.4 | 59% | 0.594 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.2 | -16.5 | -176.4 | -88.2 | -24.4 | 0 | 0 | 0 | 115.6 | L234 N239 L240 | L234-N237 PolarHBondContact O-N 2.93Å; N237-N239 PolarHBondContact O-N 2.95Å; N237-L240 PolarHBondContact O-N 2.89Å |
| 238 | L | 35.8 | Very low | 31.8 | Very low | 108 Ų | 108 | 139.5 Ų | 139.5 | 57% | 0.565 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -66.4 | -19.8 | 172.3 | -88.5 | 82.9 | 0 | 0 | 0 | 112.9 | L234 L240 | L234-L238 HydrophobicContact CG-CD1 4.38Å; L238-L240 PolarHBondContact O-N 2.81Å |
| 239 | N | 34.2 | Very low | 31.5 | Very low | 117 Ų | 117 | 143 Ų | 143 | 63% | 0.626 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -75.5 | -3.3 | 178.7 | -72.8 | -24.4 | 0 | 0 | 0 | 114.8 | N237 | N237-N239 PolarHBondContact O-N 2.95Å |
| 240 | L | 33.7 | Very low | 31.5 | Very low | 115 Ų | 115 | 139.1 Ų | 139.1 | 60% | 0.602 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -95.6 | -36.9 | 173.6 | -110.4 | 65.7 | 0 | 0 | 0 | 113 | N237 L238 K243 | N237-L240 PolarHBondContact O-N 2.89Å; L238-L240 PolarHBondContact O-N 2.81Å; L240-K243 WeakPolarHBondContact O-CB 3.47Å; L240-K243 PolarHBondContact O-N 3.16Å |
| 241 | I | 34.6 | Very low | 31.5 | Very low | 132 Ų | 132 | 139 Ų | 139 | 68% | 0.677 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -73.7 | -44.9 | -176.9 | -61.4 | 177 | 0 | 0 | 0 | 110.6 | K243 H244 | I241-K243 PolarHBondContact O-N 2.97Å; I241-H244 PolarHBondContact O-N 3.36Å; I241-H244 VanDerWaalsContact O-N 3.13Å |
| 242 | N | 34.7 | Very low | 31.1 | Very low | 128 Ų | 128 | 141.5 Ų | 141.5 | 68% | 0.684 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -67.5 | -2.4 | 173.4 | -82.1 | -19.1 | 0 | 0 | 0 | 114.3 | ||
| 243 | K | 35.8 | Very low | 30.9 | Very low | 154 Ų | 154 | 140.9 Ų | 140.9 | 67% | 0.67 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -93 | -17.6 | 174.3 | -148.7 | 171.1 | -174.8 | 179.8 | 0 | 113.3 | L240 I241 | L240-K243 WeakPolarHBondContact O-CB 3.47Å; L240-K243 PolarHBondContact O-N 3.16Å; I241-K243 PolarHBondContact O-N 2.97Å |
| 244 | H | 33 | Very low | 30.9 | Very low | 160 Ų | 160 | 142.8 Ų | 142.8 | 74% | 0.741 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -94.6 | -12.8 | 178.9 | -92.8 | -78.4 | 0 | 0 | 0 | 115 | I241 | I241-H244 PolarHBondContact O-N 3.36Å; I241-H244 VanDerWaalsContact O-N 3.13Å |
| 245 | F | 32 | Very low | 30.3 | Very low | 188 Ų | 188 | 146 Ų | 146 | 83% | 0.825 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -97.5 | 13.9 | 179.1 | -120.8 | -92.2 | 0 | 0 | 0 | 114.8 | ||
| 246 | K | 29.1 | Very low | 30.1 | Very low | 190 Ų | 190 | 146.5 Ų | 146.5 | 83% | 0.826 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -123.6 | 24.1 | 178 | -93.6 | -170.1 | 173.4 | -174.5 | 0 | 114.5 | ||
| 247 | Q | 27.4 | Very low | 29.7 | Very low | 171 Ų | 171 | 147.8 Ų | 147.8 | 80% | 0.799 | 74% | 0.735 | S | S | * | * | trans | -136.3 | 71.8 | 176.1 | -73.2 | -167.9 | -25.3 | 0 | 0 | 112.6 | ||||
| 248 | S | 25.5 | Very low | 29.2 | Very low | 102 Ų | 102 | 149 Ų | 149 | 71% | 0.713 | 74% | 0.737 | S | S | * | * | trans | -159 | 44.2 | 174.5 | 49.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 249 | Q | 27.5 | Very low | 28.7 | Very low | 204 Ų | 204 | 150.6 Ų | 150.6 | 95% | 0.953 | 74% | 0.742 | S | S | * | * | trans | -160.7 | 83 | 161.4 | -121.2 | 170 | 99.3 | 0 | 0 | 114.8 | ||||
| 250 | S | 27.9 | Very low | 28.2 | Very low | 121 Ų | 121 | 152.9 Ų | 152.9 | 85% | 0.846 | 75% | 0.749 | S | S | * | * | trans | -157.4 | 173.1 | 153 | 65 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 251 | H | 27.4 | Very low | 27.9 | Very low | 181 Ų | 181 | 153.2 Ų | 153.2 | 84% | 0.838 | 76% | 0.755 | S | S | * | * | trans | -99.9 | 135.9 | -149.1 | -72.6 | -31 | 0 | 0 | 0 | 118.2 | ||||
| 252 | H | 24.3 | Very low | 27.5 | Very low | 167 Ų | 167 | 152.4 Ų | 152.4 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | 33.3 | 157.8 | 128.3 | -74.9 | -32.6 | 0 | 0 | 0 | 124.6 | |||||
| 253 | H | 26.4 | Very low | 26.9 | Very low | 154 Ų | 154 | 151.5 Ų | 151.5 | 71% | 0.713 | 76% | 0.757 | S | S | * | * | trans | 83 | 136.8 | 170.7 | -68.1 | 10.9 | 0 | 0 | 0 | 114.9 | ||||
| 254 | H | 29.3 | Very low | 26.4 | Very low | 168 Ų | 168 | 150.9 Ų | 150.9 | 78% | 0.778 | 76% | 0.76 | S | S | * | * | cis | -137.5 | 164.4 | -0.3 | -101.4 | -40.5 | 0 | 0 | 0 | 112.4 | ||||
| 255 | Q | 22.8 | Very low | 26 | Very low | 171 Ų | 171 | 151.3 Ų | 151.3 | 80% | 0.799 | 76% | 0.759 | S | S | * | * | trans | -88.5 | 157.9 | 164.2 | -128.9 | 179.5 | 29.8 | 0 | 0 | 108.5 | ||||
| 256 | P | 25.9 | Very low | 25.8 | Very low | 108 Ų | 108 | 151.5 Ų | 151.5 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | -149.5 | 162 | 79.7 | 40.3 | -22.6 | 0 | 0 | 0 | 116.8 | |||||
| 257 | Q | 23.8 | Very low | 25.6 | Very low | 154 Ų | 154 | 146.9 Ų | 146.9 | 72% | 0.72 | 75% | 0.752 | S | S | * | * | trans | 33.1 | 153.1 | 133.4 | -56.5 | -179.9 | -0.6 | 0 | 0 | 122.1 | ||||
| 258 | Q | 23.1 | Very low | 25.6 | Very low | 136 Ų | 136 | 148.5 Ų | 148.5 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | cis | -179.4 | -171.3 | -13.8 | -100.5 | 176.1 | 5.2 | 0 | 0 | 105.1 | ||||
| 259 | H | 24.2 | Very low | 25.6 | Very low | 142 Ų | 142 | 151.3 Ų | 151.3 | 66% | 0.657 | 76% | 0.762 | S | S | * | * | trans | 72.9 | 142.7 | 160.7 | -69.5 | 78.8 | 0 | 0 | 0 | 117.2 | ||||
| 260 | Q | 23.9 | Very low | 25.3 | Very low | 165 Ų | 165 | 145.7 Ų | 145.7 | 77% | 0.771 | 75% | 0.746 | S | S | * | * | cis | -158.6 | 168.5 | -27.7 | -133.1 | 174.8 | 34.1 | 0 | 0 | 110.5 | ||||
| 261 | V | 26.3 | Very low | 25.2 | Very low | 121 Ų | 121 | 146.8 Ų | 146.8 | 73% | 0.733 | 74% | 0.742 | S | S | * | * | trans | -98.1 | 140.6 | 178.3 | -164.7 | 0 | 0 | 0 | 0 | 110.3 | V263 | V261-V263 HydrophobicContact CG1-CG2 4.1Š| ||
| 262 | P | 27.5 | Very low | 25.3 | Very low | 116 Ų | 116 | 142.5 Ų | 142.5 | 75% | 0.753 | 74% | 0.738 | S | S | * | * | -137.1 | 129.4 | 126.3 | 29.3 | -13.6 | 0 | 0 | 0 | 111.8 | |||||
| 263 | V | 22.1 | Very low | 25.4 | Very low | 109 Ų | 109 | 141.6 Ų | 141.6 | 66% | 0.661 | 74% | 0.737 | S | S | * | * | 69.5 | 116.8 | 57.9 | 178.1 | 0 | 0 | 0 | 0 | 113.8 | V261 | V261-V263 HydrophobicContact CG1-CG2 4.1Š| |||
| 264 | I | 25.2 | Very low | 25.2 | Very low | 140 Ų | 140 | 142 Ų | 142 | 72% | 0.718 | 75% | 0.745 | S | S | * | * | -169.4 | 116.2 | 128.3 | -99.9 | 158.1 | 0 | 0 | 0 | 113 | |||||
| 265 | K | 24 | Very low | 25 | Very low | 169 Ų | 169 | 142.1 Ų | 142.1 | 74% | 0.735 | 74% | 0.743 | S | S | * | * | trans | 36.2 | 135.6 | 134.3 | -45.4 | 164 | -170 | 170.9 | 0 | 118.2 | ||||
| 266 | K | 28.6 | Very low | 25.2 | Very low | 192 Ų | 192 | 140.4 Ų | 140.4 | 84% | 0.835 | 74% | 0.74 | S | S | * | * | cis | -155.6 | 143.4 | 47.3 | -73.7 | 171.4 | -173 | 170.4 | 0 | 108.7 | ||||
| 267 | S | 23.7 | Very low | 25.3 | Very low | 94 Ų | 94 | 143.1 Ų | 143.1 | 66% | 0.657 | 74% | 0.74 | S | S | * | * | cis | 102.8 | 129.8 | 32.5 | 80.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 268 | K | 28.3 | Very low | 25 | Very low | 204 Ų | 204 | 146 Ų | 146 | 89% | 0.887 | 75% | 0.746 | S | S | * | * | trans | 77.4 | 149.2 | -173.9 | -52.4 | -175.2 | -179.3 | -172.2 | 0 | 113.4 | ||||
| 269 | L | 24.8 | Very low | 25.1 | Very low | 161 Ų | 161 | 148 Ų | 148 | 84% | 0.843 | 75% | 0.753 | S | S | * | * | cis | -126.4 | 162.3 | 13 | -169 | 62.5 | 0 | 0 | 0 | 112.5 | ||||
| 270 | S | 22 | Very low | 25.1 | Very low | 87 Ų | 87 | 149.4 Ų | 149.4 | 61% | 0.608 | 76% | 0.757 | S | S | * | * | trans | -106.2 | 171.8 | 175.3 | 56.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 271 | D | 25.2 | Very low | 25.1 | Very low | 143 Ų | 143 | 146.4 Ų | 146.4 | 77% | 0.765 | 75% | 0.75 | S | S | * | * | trans | 133.2 | 169.1 | 147.8 | -63.8 | -1 | 0 | 0 | 0 | 113 | ||||
| 272 | A | 29.6 | Very low | 24.9 | Very low | 92 Ų | 92 | 146.9 Ų | 146.9 | 76% | 0.76 | 74% | 0.744 | S | S | * | * | trans | 63.8 | 67.7 | -167 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 273 | I | 27 | Very low | 24.8 | Very low | 147 Ų | 147 | 147.9 Ų | 147.9 | 75% | 0.754 | 74% | 0.743 | S | S | * | * | 82.4 | 110.8 | 71.2 | -64.8 | 160 | 0 | 0 | 0 | 114.2 | K275 | I273-K275 HydrophobicContact CG2-CB 4.45Å; I273-K275 PolarHBondContact O-N 2.82Å | |||
| 274 | N | 22.6 | Very low | 25 | Very low | 163 Ų | 163 | 146.9 Ų | 146.9 | 87% | 0.872 | 74% | 0.741 | S | S | * | * | trans | -64.8 | 120.2 | 154.4 | -92.1 | -30.2 | 0 | 0 | 0 | 110.1 | ||||
| 275 | K | 25.6 | Very low | 25 | Very low | 171 Ų | 171 | 146.9 Ų | 146.9 | 74% | 0.743 | 74% | 0.743 | S | S | * | * | trans | -167.2 | 149.8 | 148.6 | -117.2 | 164.4 | -172.4 | 178.1 | 0 | 114.4 | I273 | I273-K275 HydrophobicContact CG2-CB 4.45Å; I273-K275 PolarHBondContact O-N 2.82Å | ||
| 276 | N | 27 | Very low | 25 | Very low | 135 Ų | 135 | 145.3 Ų | 145.3 | 72% | 0.722 | 74% | 0.743 | S | S | * | * | trans | 86.9 | 127.6 | 167.3 | -51 | -5.3 | 0 | 0 | 0 | 118 | ||||
| 277 | F | 26.1 | Very low | 25 | Very low | 164 Ų | 164 | 140.2 Ų | 140.2 | 72% | 0.719 | 73% | 0.731 | S | S | * | * | cis | -165.4 | 158.9 | -32.2 | -120.8 | -62.3 | 0 | 0 | 0 | 109.4 | ||||
| 278 | Y | 18.8 | Very low | 25 | Very low | 215 Ų | 215 | 142.1 Ų | 142.1 | 84% | 0.843 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -126.7 | 132.8 | 155.9 | -123.2 | -70.2 | 0 | 0 | 0 | 108.4 | ||
| 279 | K | 25.1 | Very low | 24.8 | Very low | 179 Ų | 179 | 138.7 Ų | 138.7 | 78% | 0.778 | 73% | 0.725 | S | S | * | * | trans | 67.6 | 149.5 | 178.5 | -57.5 | -179.7 | 179.7 | 177.5 | 0 | 114.8 | ||||
| 280 | K | 24.4 | Very low | 24.7 | Very low | 170 Ų | 170 | 137.5 Ų | 137.5 | 74% | 0.739 | 72% | 0.72 | S | S | * | * | cis | -146.7 | 175.6 | -5.4 | -136.2 | -160.2 | 169.7 | -145.3 | 0 | 112.3 | E282 | K280-E282 IonicContact NZ-OE1 2.61Å; K280-E282 PolarHBondContact NZ-OE1 2.67Å | ||
| 281 | T | 22.7 | Very low | 24.9 | Very low | 102 Ų | 102 | 138 Ų | 138 | 63% | 0.626 | 72% | 0.715 | S | S | * | * | trans | -66.3 | 166.6 | 175.4 | 40.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 282 | E | 23.7 | Very low | 24.9 | Very low | 131 Ų | 131 | 134.1 Ų | 134.1 | 61% | 0.612 | 70% | 0.699 | S | S | * | * | 179.4 | 173.1 | 73.7 | -121.4 | 138.5 | -103.5 | 0 | 0 | 114.8 | K280 | K280-E282 IonicContact NZ-OE1 2.61Å; K280-E282 PolarHBondContact NZ-OE1 2.67Å | |||
| 283 | N | 24.7 | Very low | 24.7 | Very low | 137 Ų | 137 | 137.8 Ų | 137.8 | 73% | 0.733 | 70% | 0.701 | S | S | * | * | trans | 79.8 | 136.5 | 153.2 | -75 | -29.2 | 0 | 0 | 0 | 122 | ||||
| 284 | S | 25.3 | Very low | 24.6 | Very low | 88 Ų | 88 | 132.7 Ų | 132.7 | 62% | 0.615 | 69% | 0.685 | S | S | * | * | cis | -166.2 | -179.4 | -15.8 | -141.4 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 285 | N | 26.5 | Very low | 24.8 | Very low | 141 Ų | 141 | 129.5 Ų | 129.5 | 75% | 0.754 | 67% | 0.671 | S | S | * | * | trans | 79 | 133.5 | 159.8 | -62.9 | -19 | 0 | 0 | 0 | 119.5 | ||||
| 286 | N | 24.1 | Very low | 25.1 | Very low | 136 Ų | 136 | 128.5 Ų | 128.5 | 73% | 0.727 | 67% | 0.672 | S | S | * | * | cis | -162.3 | 170.2 | -18.4 | -154.2 | 1.1 | 0 | 0 | 0 | 112.8 | ||||
| 287 | S | 28.1 | Very low | 25.4 | Very low | 85 Ų | 85 | 126 Ų | 126 | 59% | 0.594 | 67% | 0.666 | S | S | * | * | trans | 85.6 | 93.3 | 147.5 | -58.4 | 0 | 0 | 0 | 0 | 122 | ||||
| 288 | N | 23.6 | Very low | 25.7 | Very low | 133 Ų | 133 | 123.8 Ų | 123.8 | 71% | 0.711 | 66% | 0.657 | S | S | * | * | 73.6 | 108.2 | 112 | -64.7 | 13.7 | 0 | 0 | 0 | 123.2 | |||||
| 289 | N | 24.1 | Very low | 26.3 | Very low | 133 Ų | 133 | 118 Ų | 118 | 71% | 0.711 | 65% | 0.647 | S | S | * | * | 88.4 | 137.7 | 113.2 | -73.3 | 16.4 | 0 | 0 | 0 | 124.6 | |||||
| 290 | N | 23.4 | Very low | 26.9 | Very low | 135 Ų | 135 | 114.1 Ų | 114.1 | 72% | 0.722 | 63% | 0.632 | S | S | * | * | trans | 91.6 | 134.6 | 145.7 | -68 | 2.9 | 0 | 0 | 0 | 122.1 | ||||
| 291 | N | 24.9 | Very low | 27.6 | Very low | 97 Ų | 97 | 108.9 Ų | 108.9 | 52% | 0.519 | 62% | 0.617 | S | S | . | * | trans | 73.3 | 93.9 | 147.7 | -67.5 | 16.3 | 0 | 0 | 0 | 121.4 | I1017 T1018 | N291-I1017 PolarHBondContact ND2-O 3.19Å; N291-T1018 PolarHBondContact O-OG1 2.82Å | ||
| 292 | S | 24.9 | Very low | 28.4 | Very low | 62 Ų | 62 | 109.9 Ų | 109.9 | 43% | 0.434 | 61% | 0.612 | S | S | . | * | 64.4 | 136.1 | 118.1 | 40.8 | 0 | 0 | 0 | 0 | 123.4 | T1018 | S292-T1018 WeakPolarHBondContact CB-OG1 3.06Å; S292-T1018 PolarHBondContact O-OG1 3.33Å; S292-T1018 PolarHBondContact OG-N 2.83Å; S292-T1018 PolarHBondContact OG-O 2.92Å; S292-T1018 VanDerWaalsContact OG-O 3.11Å; S292-T1018 PolarHBondContact OG-OG1 3.25Å | |||
| 293 | H | 25.6 | Very low | 29.3 | Very low | 169 Ų | 169 | 112.3 Ų | 112.3 | 78% | 0.782 | 62% | 0.616 | S | S | * | * | trans | 44.6 | 155.9 | 152.6 | -88.2 | -94.8 | 0 | 0 | 0 | 121.1 | D1019 | H293-D1019 CarbonylContact C-O 3.57Å; H293-D1019 WeakPolarHBondContact CA-O 3.4Å; H293-D1019 WeakPolarHBondContact CB-O 3.23Å; H293-D1019 VanDerWaalsContact O-O 3.05Å | ||
| 294 | G | 25.2 | Very low | 30.1 | Very low | 41 Ų | 41 | 113.5 Ų | 113.5 | 42% | 0.423 | 61% | 0.61 | S | S | . | * | trans | 137.9 | 78.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | I296 | G294-I296 PolarHBondContact O-N 3.15Š| ||
| 295 | T | 27.4 | Very low | 30.9 | Very low | 96 Ų | 96 | 115.5 Ų | 115.5 | 59% | 0.589 | 61% | 0.61 | S | S | * | * | trans | 44.8 | 53 | 147.6 | 51 | 0 | 0 | 0 | 0 | 121 | K1021 V1022 | T295-K1021 VanDerWaalsContact CG2-C 3.44Å; T295-K1021 VanDerWaalsContact CG2-O 3.25Å; T295-K1021 WeakPolarHBondContact CG2-O 3.14Å; T295-V1022 HydrophobicContact CG2-CB 3.99Å; T295-V1022 HydrophobicContact CG2-CG2 3.99Å | ||
| 296 | I | 31.2 | Very low | 31.9 | Very low | 149 Ų | 149 | 111.9 Ų | 111.9 | 76% | 0.764 | 60% | 0.595 | S | S | * | * | trans | -120.4 | 71.3 | 154.6 | -47.7 | -178.2 | 0 | 0 | 0 | 110.4 | G294 | G294-I296 PolarHBondContact O-N 3.15Š| ||
| 297 | S | 33.4 | Very low | 33.2 | Very low | 83 Ų | 83 | 109.1 Ų | 109.1 | 58% | 0.58 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -133.2 | -37.9 | -179.9 | -172.3 | 0 | 0 | 0 | 0 | 114.4 | S301 | S297-S301 WeakPolarHBondContact O-CB 3.32Å; S297-S301 PolarHBondContact O-N 3.42Å; S297-S301 PolarHBondContact O-OG 3.03Å |
| 298 | E | 32.7 | Very low | 34.2 | Very low | 117 Ų | 117 | 109.3 Ų | 109.3 | 55% | 0.547 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -73.9 | -32.6 | 179.6 | -77 | -152.5 | 90.5 | 0 | 0 | 114.5 | S301 K302 | E298-S301 PolarHBondContact O-N 3.25Å; E298-K302 PolarHBondContact O-N 3.43Å; E298-K302 WeakPolarHBondContact OE1-CE 3.45Å; E298-K302 IonicContact OE1-NZ 3.72Å; E298-K302 PolarHBondContact OE1-NZ 3.04Å; E298-K302 IonicContact OE2-NZ 3.4Å |
| 299 | C | 32.3 | Very low | 35.7 | Very low | 93 Ų | 93 | 105.4 Ų | 105.4 | 63% | 0.628 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -70.2 | -36.3 | -178.5 | -162.4 | 0 | 0 | 0 | 0 | 111.8 | R303 | C299-R303 WeakPolarHBondContact O-CB 3.39Å; C299-R303 PolarHBondContact O-N 2.93Å |
| 300 | E | 35.7 | Very low | 37.7 | Very low | 99 Ų | 99 | 102.4 Ų | 102.4 | 46% | 0.463 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67 | -48.6 | 171.4 | -78.1 | -99.8 | 146.7 | 0 | 0 | 111.1 | K302 R303 R304 | E300-K302 PolarHBondContact O-N 2.9Å; E300-R303 CarbonylContact O-C 3.51Å; E300-R303 WeakPolarHBondContact O-CB 3.06Å; E300-R303 PolarHBondContact O-N 3.21Å; E300-R303 VanDerWaalsContact O-N 3.12Å; E300-R304 WeakPolarHBondContact O-CG 3.44Å; E300-R304 PolarHBondContact O-N 2.87Å; E300-R304 IonicContact OE2-CZ 2.73Å; E300-R304 VanDerWaalsContact OE2-CZ 3.3Å; E300-R304 IonicContact OE2-NE 2.8Å; E300-R304 PolarHBondContact OE2-NE 3.14Å; E300-R304 VanDerWaalsContact OE2-NE 3.12Å; E300-R304 IonicContact OE2-NH2 3.21Å; E300-R304 PolarHBondContact OE2-NH2 3.19Å |
| 301 | S | 39.1 | Very low | 39.3 | Very low | 60 Ų | 60 | 99.9 Ų | 99.9 | 42% | 0.42 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.4 | -49.1 | -176.6 | -63.2 | 0 | 0 | 0 | 0 | 112.5 | S297 E298 R303 R304 E305 | S297-S301 WeakPolarHBondContact O-CB 3.32Å; S297-S301 PolarHBondContact O-N 3.42Å; S297-S301 PolarHBondContact O-OG 3.03Å; E298-S301 PolarHBondContact O-N 3.25Å; S301-R303 PolarHBondContact O-N 3.2Å; S301-R304 PolarHBondContact O-N 3.05Å; S301-E305 PolarHBondContact O-N 3.01Å |
| 302 | K | 40 | Very low | 41 | Very low | 122 Ų | 122 | 102 Ų | 102 | 53% | 0.53 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.6 | -27.9 | 176.8 | -72.9 | 161.8 | 177.4 | 162.6 | 0 | 112.4 | E298 E300 S306 | E298-K302 PolarHBondContact O-N 3.43Å; E298-K302 WeakPolarHBondContact OE1-CE 3.45Å; E298-K302 IonicContact OE1-NZ 3.72Å; E298-K302 PolarHBondContact OE1-NZ 3.04Å; E298-K302 IonicContact OE2-NZ 3.4Å; E300-K302 PolarHBondContact O-N 2.9Å; K302-S306 WeakPolarHBondContact O-CB 3.12Å; K302-S306 PolarHBondContact O-N 3.19Å; K302-S306 PolarHBondContact O-OG 3.19Å |
| 303 | R | 43.6 | Very low | 42.9 | Very low | 183 Ų | 183 | 106.8 Ų | 106.8 | 69% | 0.691 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -76 | -42.1 | 174.1 | -151 | 168.2 | -164.7 | 157.5 | 1.6 | 111.6 | C299 E300 S301 S306 V307 | C299-R303 WeakPolarHBondContact O-CB 3.39Å; C299-R303 PolarHBondContact O-N 2.93Å; E300-R303 CarbonylContact O-C 3.51Å; E300-R303 WeakPolarHBondContact O-CB 3.06Å; E300-R303 PolarHBondContact O-N 3.21Å; E300-R303 VanDerWaalsContact O-N 3.12Å; S301-R303 PolarHBondContact O-N 3.2Å; R303-S306 PolarHBondContact O-N 2.95Å; R303-S306 PolarHBondContact O-OG 3.2Å; R303-V307 WeakPolarHBondContact O-CG2 3.4Å; R303-V307 PolarHBondContact O-N 3.12Å |
| 304 | R | 41.7 | Very low | 44.8 | Very low | 161 Ų | 161 | 104.9 Ų | 104.9 | 61% | 0.608 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.8 | -42.8 | 173.6 | -68.7 | 176.3 | -169.6 | -151.6 | 4.8 | 111.3 | E300 S301 V307 I308 | E300-R304 WeakPolarHBondContact O-CG 3.44Å; E300-R304 PolarHBondContact O-N 2.87Å; E300-R304 IonicContact OE2-CZ 2.73Å; E300-R304 VanDerWaalsContact OE2-CZ 3.3Å; E300-R304 IonicContact OE2-NE 2.8Å; E300-R304 PolarHBondContact OE2-NE 3.14Å; E300-R304 VanDerWaalsContact OE2-NE 3.12Å; E300-R304 IonicContact OE2-NH2 3.21Å; E300-R304 PolarHBondContact OE2-NH2 3.19Å; S301-R304 PolarHBondContact O-N 3.05Å; R304-V307 PolarHBondContact O-N 2.68Å; R304-I308 WeakPolarHBondContact O-CB 3.48Å; R304-I308 VanDerWaalsContact O-CG1 3.26Å; R304-I308 WeakPolarHBondContact O-CG1 3.41Å; R304-I308 PolarHBondContact O-N 3.5Å |
| 305 | E | 41.5 | Very low | 46.3 | Very low | 131 Ų | 131 | 109.3 Ų | 109.3 | 61% | 0.612 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.1 | -44.5 | 172 | -78.6 | -164.3 | 110.9 | 0 | 0 | 112.6 | S301 V307 I308 D309 | S301-E305 PolarHBondContact O-N 3.01Å; E305-V307 VanDerWaalsContact C-N 3.27Å; E305-V307 PolarHBondContact O-N 2.7Å; E305-I308 PolarHBondContact O-N 2.93Å; E305-I308 VanDerWaalsContact O-N 3.15Å; E305-D309 PolarHBondContact O-N 3.13Å |
| 306 | S | 46.5 | Very low | 48 | Very low | 64 Ų | 64 | 114 Ų | 114 | 45% | 0.448 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62 | -35 | 176.5 | 70.1 | 0 | 0 | 0 | 0 | 112.5 | K302 R303 V310 | K302-S306 WeakPolarHBondContact O-CB 3.12Å; K302-S306 PolarHBondContact O-N 3.19Å; K302-S306 PolarHBondContact O-OG 3.19Å; R303-S306 PolarHBondContact O-N 2.95Å; R303-S306 PolarHBondContact O-OG 3.2Å; S306-V310 WeakPolarHBondContact O-CB 3.26Å; S306-V310 WeakPolarHBondContact O-CG2 3.26Å; S306-V310 PolarHBondContact O-N 3.13Å |
| 307 | V | 51.2 | Low | 49.6 | Very low | 79 Ų | 79 | 112.2 Ų | 112.2 | 48% | 0.479 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -70.8 | -40.7 | 172.8 | 171.7 | 0 | 0 | 0 | 0 | 111.7 | R303 R304 E305 N311 | R303-V307 WeakPolarHBondContact O-CG2 3.4Å; R303-V307 PolarHBondContact O-N 3.12Å; R304-V307 PolarHBondContact O-N 2.68Å; E305-V307 VanDerWaalsContact C-N 3.27Å; E305-V307 PolarHBondContact O-N 2.7Å; V307-N311 VanDerWaalsContact O-CB 3.23Å; V307-N311 WeakPolarHBondContact O-CB 3.21Å; V307-N311 PolarHBondContact O-N 2.95Å; V307-N311 PolarHBondContact O-ND2 3.36Å |
| 308 | I | 50.8 | Low | 51.2 | Low | 88 Ų | 88 | 113.1 Ų | 113.1 | 45% | 0.451 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.5 | -45.1 | 176.6 | -71.5 | 163.7 | 0 | 0 | 0 | 110.7 | R304 E305 N311 R312 | R304-I308 WeakPolarHBondContact O-CB 3.48Å; R304-I308 VanDerWaalsContact O-CG1 3.26Å; R304-I308 WeakPolarHBondContact O-CG1 3.41Å; R304-I308 PolarHBondContact O-N 3.5Å; E305-I308 PolarHBondContact O-N 2.93Å; E305-I308 VanDerWaalsContact O-N 3.15Å; I308-N311 CarbonylContact O-C 3.56Å; I308-N311 PolarHBondContact O-N 3.42Å; I308-R312 WeakPolarHBondContact O-CG 3.38Å; I308-R312 PolarHBondContact O-N 2.97Å |
| 309 | D | 55.4 | Low | 52.2 | Low | 52 Ų | 52 | 113.4 Ų | 113.4 | 28% | 0.278 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -76.6 | -32.2 | -179.4 | -159.5 | 56.1 | 0 | 0 | 0 | 112.5 | E305 N311 R312 R313 | E305-D309 PolarHBondContact O-N 3.13Å; D309-N311 VanDerWaalsContact C-N 3.3Å; D309-N311 PolarHBondContact O-N 2.82Å; D309-R312 PolarHBondContact O-N 2.98Å; D309-R313 WeakPolarHBondContact O-CB 3.12Å; D309-R313 VanDerWaalsContact O-CG 3.24Å; D309-R313 WeakPolarHBondContact O-CG 3.32Å; D309-R313 PolarHBondContact O-N 3.22Å; D309-R313 IonicContact OD2-CZ 3.75Å; D309-R313 IonicContact OD2-NE 3.31Å; D309-R313 PolarHBondContact OD2-NE 3.3Å; D309-R313 IonicContact OD2-NH2 2.95Å; D309-R313 PolarHBondContact OD2-NH2 3.33Å |
| 310 | V | 66.2 | Low | 53.5 | Low | 70 Ų | 70 | 110.6 Ų | 110.6 | 42% | 0.424 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.1 | -39 | 165.7 | 165.7 | 0 | 0 | 0 | 0 | 110.9 | S306 R313 K314 | S306-V310 WeakPolarHBondContact O-CB 3.26Å; S306-V310 WeakPolarHBondContact O-CG2 3.26Å; S306-V310 PolarHBondContact O-N 3.13Å; V310-R313 PolarHBondContact O-N 2.95Å; V310-K314 HydrophobicContact CG1-CD 4.06Å; V310-K314 HydrophobicContact CG1-CG 4.47Å; V310-K314 WeakPolarHBondContact O-CB 3.43Å; V310-K314 VanDerWaalsContact O-CG 3.27Å; V310-K314 WeakPolarHBondContact O-CG 3.4Å; V310-K314 PolarHBondContact O-N 2.97Å |
| 311 | N | 55.6 | Low | 54.9 | Low | 81 Ų | 81 | 111.7 Ų | 111.7 | 43% | 0.433 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -70.9 | -37.3 | 175.6 | -74.8 | -16.6 | 0 | 0 | 0 | 112.4 | V307 I308 D309 K314 Q315 | V307-N311 VanDerWaalsContact O-CB 3.23Å; V307-N311 WeakPolarHBondContact O-CB 3.21Å; V307-N311 PolarHBondContact O-N 2.95Å; V307-N311 PolarHBondContact O-ND2 3.36Å; I308-N311 CarbonylContact O-C 3.56Å; I308-N311 PolarHBondContact O-N 3.42Å; D309-N311 VanDerWaalsContact C-N 3.3Å; D309-N311 PolarHBondContact O-N 2.82Å; N311-K314 PolarHBondContact O-N 3Å; N311-Q315 WeakPolarHBondContact O-CB 3.24Å; N311-Q315 PolarHBondContact O-N 3.43Å |
| 312 | R | 60.7 | Low | 55.6 | Low | 141 Ų | 141 | 113.4 Ų | 113.4 | 53% | 0.532 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 170.6 | -73.8 | 172.9 | 177.2 | 178.6 | 0.4 | 111.5 | I308 D309 Q315 R316 | I308-R312 WeakPolarHBondContact O-CG 3.38Å; I308-R312 PolarHBondContact O-N 2.97Å; D309-R312 PolarHBondContact O-N 2.98Å; R312-Q315 PolarHBondContact O-N 2.69Å; R312-R316 WeakPolarHBondContact O-CB 3.46Å; R312-R316 WeakPolarHBondContact O-CG 3.43Å; R312-R316 PolarHBondContact O-N 2.85Å |
| 313 | R | 65.7 | Low | 56.4 | Low | 164 Ų | 164 | 116.5 Ų | 116.5 | 62% | 0.619 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.4 | -44 | 174.7 | -71.6 | 175.2 | -158.6 | -154.9 | 5.6 | 111.4 | D309 V310 Q315 R316 E317 | D309-R313 WeakPolarHBondContact O-CB 3.12Å; D309-R313 VanDerWaalsContact O-CG 3.24Å; D309-R313 WeakPolarHBondContact O-CG 3.32Å; D309-R313 PolarHBondContact O-N 3.22Å; D309-R313 IonicContact OD2-CZ 3.75Å; D309-R313 IonicContact OD2-NE 3.31Å; D309-R313 PolarHBondContact OD2-NE 3.3Å; D309-R313 IonicContact OD2-NH2 2.95Å; D309-R313 PolarHBondContact OD2-NH2 3.33Å; V310-R313 PolarHBondContact O-N 2.95Å; R313-Q315 PolarHBondContact O-N 3.22Å; R313-R316 PolarHBondContact O-N 2.82Å; R313-E317 WeakPolarHBondContact O-CB 3.26Å; R313-E317 PolarHBondContact O-N 2.65Å |
| 314 | K | 64 | Low | 57.2 | Low | 128 Ų | 128 | 111.7 Ų | 111.7 | 56% | 0.557 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.1 | -42.1 | 172.1 | -76.4 | 173.1 | -180 | 176 | 0 | 112 | V310 N311 E317 L318 | V310-K314 HydrophobicContact CG1-CD 4.06Å; V310-K314 HydrophobicContact CG1-CG 4.47Å; V310-K314 WeakPolarHBondContact O-CB 3.43Å; V310-K314 VanDerWaalsContact O-CG 3.27Å; V310-K314 WeakPolarHBondContact O-CG 3.4Å; V310-K314 PolarHBondContact O-N 2.97Å; N311-K314 PolarHBondContact O-N 3Å; K314-E317 PolarHBondContact O-N 2.62Å; K314-L318 VanDerWaalsContact O-CB 3.3Å; K314-L318 WeakPolarHBondContact O-CB 3.45Å; K314-L318 PolarHBondContact O-N 2.84Å |
| 315 | Q | 56.8 | Low | 57.9 | Low | 135 Ų | 135 | 107.6 Ų | 107.6 | 63% | 0.631 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.1 | -45.6 | 173.6 | -92.3 | -176 | -24.3 | 0 | 0 | 112.2 | N311 R312 R313 E317 L318 M319 | N311-Q315 WeakPolarHBondContact O-CB 3.24Å; N311-Q315 PolarHBondContact O-N 3.43Å; R312-Q315 PolarHBondContact O-N 2.69Å; R313-Q315 PolarHBondContact O-N 3.22Å; Q315-E317 VanDerWaalsContact C-N 3.33Å; Q315-E317 PolarHBondContact O-N 3.25Å; Q315-L318 PolarHBondContact O-N 2.67Å; Q315-L318 VanDerWaalsContact O-N 3.15Å; Q315-M319 WeakPolarHBondContact O-CB 3.23Å; Q315-M319 VanDerWaalsContact O-CG 3.27Å; Q315-M319 WeakPolarHBondContact O-CG 3.3Å; Q315-M319 PolarHBondContact O-N 2.77Å |
| 316 | R | 64.1 | Low | 58.4 | Low | 193 Ų | 193 | 107.5 Ų | 107.5 | 73% | 0.728 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.8 | -40.3 | 176.1 | -73.5 | 177.5 | -176.5 | -175.4 | 2.7 | 111.6 | R312 R313 G320 | R312-R316 WeakPolarHBondContact O-CB 3.46Å; R312-R316 WeakPolarHBondContact O-CG 3.43Å; R312-R316 PolarHBondContact O-N 2.85Å; R313-R316 PolarHBondContact O-N 2.82Å; R316-G320 PolarHBondContact O-N 3.43Å |
| 317 | E | 64 | Low | 58.5 | Low | 112 Ų | 112 | 108.8 Ų | 108.8 | 52% | 0.523 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.6 | -42.5 | 170.4 | -84.2 | -160 | -173.8 | 0 | 0 | 112.7 | R313 K314 Q315 G320 K321 | R313-E317 WeakPolarHBondContact O-CB 3.26Å; R313-E317 PolarHBondContact O-N 2.65Å; K314-E317 PolarHBondContact O-N 2.62Å; Q315-E317 VanDerWaalsContact C-N 3.33Å; Q315-E317 PolarHBondContact O-N 3.25Å; E317-G320 PolarHBondContact O-N 3.38Å; E317-K321 VanDerWaalsContact O-CB 3.26Å; E317-K321 WeakPolarHBondContact O-CB 3.42Å; E317-K321 WeakPolarHBondContact O-CD 3.38Å; E317-K321 WeakPolarHBondContact O-CG 3.45Å; E317-K321 PolarHBondContact O-N 2.99Å; E317-K321 IonicContact OE2-NZ 3.56Å; E317-K321 PolarHBondContact OE2-NZ 3.46Å |
| 318 | L | 68.3 | Low | 58.7 | Low | 102 Ų | 102 | 110.9 Ų | 110.9 | 53% | 0.534 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.8 | -45.5 | -179.6 | -155.9 | 82.8 | 0 | 0 | 0 | 110.5 | K314 Q315 K321 Q322 | K314-L318 VanDerWaalsContact O-CB 3.3Å; K314-L318 WeakPolarHBondContact O-CB 3.45Å; K314-L318 PolarHBondContact O-N 2.84Å; Q315-L318 PolarHBondContact O-N 2.67Å; Q315-L318 VanDerWaalsContact O-N 3.15Å; L318-K321 PolarHBondContact O-N 3.31Å; L318-Q322 VanDerWaalsContact O-CB 3.3Å; L318-Q322 WeakPolarHBondContact O-CB 3.36Å; L318-Q322 VanDerWaalsContact O-CG 3.26Å; L318-Q322 WeakPolarHBondContact O-CG 3.39Å; L318-Q322 PolarHBondContact O-N 3.01Å |
| 319 | M | 53.9 | Low | 59 | Low | 124 Ų | 124 | 110.1 Ų | 110.1 | 61% | 0.611 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.1 | -38.2 | 174 | -68.2 | -65.4 | -74.6 | 0 | 0 | 111.7 | Q315 R323 | Q315-M319 WeakPolarHBondContact O-CB 3.23Å; Q315-M319 VanDerWaalsContact O-CG 3.27Å; Q315-M319 WeakPolarHBondContact O-CG 3.3Å; Q315-M319 PolarHBondContact O-N 2.77Å; M319-R323 WeakPolarHBondContact O-CB 3.41Å; M319-R323 PolarHBondContact O-N 2.78Å |
| 320 | G | 58.5 | Low | 58.5 | Low | 34 Ų | 34 | 114 Ų | 114 | 35% | 0.351 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.4 | -47 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R316 E317 R323 V324 | R316-G320 PolarHBondContact O-N 3.43Å; E317-G320 PolarHBondContact O-N 3.38Å; G320-R323 PolarHBondContact O-N 3.13Å; G320-V324 WeakPolarHBondContact O-CG2 3.24Å; G320-V324 PolarHBondContact O-N 3.14Å |
| 321 | K | 65.9 | Low | 57.5 | Low | 122 Ų | 122 | 117.1 Ų | 117.1 | 53% | 0.53 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.3 | -45.7 | 176.2 | -73.9 | 161.7 | 178.7 | 169.3 | 0 | 110.8 | E317 L318 R323 V324 T325 | E317-K321 VanDerWaalsContact O-CB 3.26Å; E317-K321 WeakPolarHBondContact O-CB 3.42Å; E317-K321 WeakPolarHBondContact O-CD 3.38Å; E317-K321 WeakPolarHBondContact O-CG 3.45Å; E317-K321 PolarHBondContact O-N 2.99Å; E317-K321 IonicContact OE2-NZ 3.56Å; E317-K321 PolarHBondContact OE2-NZ 3.46Å; L318-K321 PolarHBondContact O-N 3.31Å; K321-R323 PolarHBondContact O-N 3.18Å; K321-V324 PolarHBondContact O-N 3.13Å; K321-T325 WeakPolarHBondContact O-CB 3.26Å; K321-T325 PolarHBondContact O-N 2.75Å; K321-T325 PolarHBondContact O-OG1 3.46Å; K321-T325 VanDerWaalsContact O-OG1 3.05Å |
| 322 | Q | 54.2 | Low | 57 | Low | 95 Ų | 95 | 118.7 Ų | 118.7 | 44% | 0.444 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59.7 | -43.8 | 172.3 | -76.1 | 177.6 | 1.1 | 0 | 0 | 112 | L318 V324 T325 R326 | L318-Q322 VanDerWaalsContact O-CB 3.3Å; L318-Q322 WeakPolarHBondContact O-CB 3.36Å; L318-Q322 VanDerWaalsContact O-CG 3.26Å; L318-Q322 WeakPolarHBondContact O-CG 3.39Å; L318-Q322 PolarHBondContact O-N 3.01Å; Q322-V324 PolarHBondContact O-N 3.22Å; Q322-T325 PolarHBondContact O-N 3.44Å; Q322-R326 VanDerWaalsContact O-CB 3.26Å; Q322-R326 WeakPolarHBondContact O-CB 3.3Å; Q322-R326 PolarHBondContact O-N 3.22Å |
| 323 | R | 56.1 | Low | 55.9 | Low | 187 Ų | 187 | 113.3 Ų | 113.3 | 71% | 0.706 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.2 | -39.5 | 177 | -177.7 | 173.5 | 173 | -175.7 | -4.6 | 112.2 | M319 G320 K321 N327 | M319-R323 WeakPolarHBondContact O-CB 3.41Å; M319-R323 PolarHBondContact O-N 2.78Å; G320-R323 PolarHBondContact O-N 3.13Å; K321-R323 PolarHBondContact O-N 3.18Å; R323-N327 VanDerWaalsContact O-CB 3.29Å; R323-N327 WeakPolarHBondContact O-CB 3.42Å; R323-N327 PolarHBondContact O-N 3.47Å |
| 324 | V | 60.5 | Low | 54.3 | Low | 82 Ų | 82 | 113.5 Ų | 113.5 | 50% | 0.497 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.2 | -42.5 | 173.5 | 170.9 | 0 | 0 | 0 | 0 | 111.2 | G320 K321 Q322 N327 K328 | G320-V324 WeakPolarHBondContact O-CG2 3.24Å; G320-V324 PolarHBondContact O-N 3.14Å; K321-V324 PolarHBondContact O-N 3.13Å; Q322-V324 PolarHBondContact O-N 3.22Å; V324-N327 PolarHBondContact O-N 2.7Å; V324-K328 WeakPolarHBondContact O-CG 3.43Å; V324-K328 PolarHBondContact O-N 3.24Å |
| 325 | T | 56 | Low | 53 | Low | 75 Ų | 75 | 114.2 Ų | 114.2 | 46% | 0.46 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.5 | -46.1 | 176.9 | -61 | 0 | 0 | 0 | 0 | 111.8 | K321 Q322 N327 K328 I329 | K321-T325 WeakPolarHBondContact O-CB 3.26Å; K321-T325 PolarHBondContact O-N 2.75Å; K321-T325 PolarHBondContact O-OG1 3.46Å; K321-T325 VanDerWaalsContact O-OG1 3.05Å; Q322-T325 PolarHBondContact O-N 3.44Å; T325-N327 VanDerWaalsContact C-N 3.28Å; T325-N327 PolarHBondContact O-N 3.46Å; T325-K328 CarbonylContact O-C 3.5Å; T325-K328 PolarHBondContact O-N 2.96Å; T325-K328 VanDerWaalsContact O-N 3.1Å; T325-I329 HydrophobicContact CG2-CD1 3.84Å; T325-I329 HydrophobicContact CG2-CG1 4.37Å; T325-I329 WeakPolarHBondContact O-CG1 3.33Å; T325-I329 PolarHBondContact O-N 3.37Å |
| 326 | R | 51.3 | Low | 52 | Low | 129 Ų | 129 | 113.6 Ų | 113.6 | 49% | 0.487 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.4 | -34.8 | 176.4 | -151.1 | -176.6 | -142.5 | 136.9 | -6.7 | 111.5 | Q322 K330 E1152 | Q322-R326 VanDerWaalsContact O-CB 3.26Å; Q322-R326 WeakPolarHBondContact O-CB 3.3Å; Q322-R326 PolarHBondContact O-N 3.22Å; R326-K330 WeakPolarHBondContact O-CB 3.42Å; R326-K330 WeakPolarHBondContact O-CG 3.44Å; R326-K330 PolarHBondContact O-N 3.34Å; R326-E1152 IonicContact CZ-OE1 3.72Å; R326-E1152 IonicContact NH2-OE1 3.47Å; R326-E1152 PolarHBondContact NH2-OE1 3.16Å |
| 327 | N | 48.8 | Very low | 50.5 | Low | 91 Ų | 91 | 109.7 Ų | 109.7 | 49% | 0.487 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -69.4 | -42.4 | 171.1 | -77.7 | -3.9 | 0 | 0 | 0 | 112.5 | R323 V324 T325 K330 E331 | R323-N327 VanDerWaalsContact O-CB 3.29Å; R323-N327 WeakPolarHBondContact O-CB 3.42Å; R323-N327 PolarHBondContact O-N 3.47Å; V324-N327 PolarHBondContact O-N 2.7Å; T325-N327 VanDerWaalsContact C-N 3.28Å; T325-N327 PolarHBondContact O-N 3.46Å; N327-K330 PolarHBondContact O-N 2.9Å; N327-E331 PolarHBondContact O-N 2.96Å |
| 328 | K | 55.9 | Low | 49.1 | Very low | 124 Ų | 124 | 111.1 Ų | 111.1 | 54% | 0.539 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.5 | -42 | 174.9 | -80.9 | -174.3 | 174.3 | -173.3 | 0 | 112.5 | V324 T325 K330 E331 Q332 | V324-K328 WeakPolarHBondContact O-CG 3.43Å; V324-K328 PolarHBondContact O-N 3.24Å; T325-K328 CarbonylContact O-C 3.5Å; T325-K328 PolarHBondContact O-N 2.96Å; T325-K328 VanDerWaalsContact O-N 3.1Å; K328-K330 VanDerWaalsContact C-N 3.32Å; K328-K330 PolarHBondContact O-N 3.24Å; K328-E331 PolarHBondContact O-N 2.8Å; K328-Q332 WeakPolarHBondContact O-CB 3.26Å; K328-Q332 VanDerWaalsContact O-CG 3.29Å; K328-Q332 WeakPolarHBondContact O-CG 3.47Å; K328-Q332 PolarHBondContact O-N 3.18Å |
| 329 | I | 57.7 | Low | 47.3 | Very low | 72 Ų | 72 | 112 Ų | 112 | 37% | 0.369 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 174.1 | -68.9 | 168.7 | 0 | 0 | 0 | 109.6 | T325 Q332 G333 | T325-I329 HydrophobicContact CG2-CD1 3.84Å; T325-I329 HydrophobicContact CG2-CG1 4.37Å; T325-I329 WeakPolarHBondContact O-CG1 3.33Å; T325-I329 PolarHBondContact O-N 3.37Å; I329-Q332 PolarHBondContact O-N 2.91Å; I329-G333 PolarHBondContact O-N 2.64Å |
| 330 | K | 45.1 | Very low | 46.1 | Very low | 133 Ų | 133 | 113.2 Ų | 113.2 | 58% | 0.578 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.1 | -44.2 | 173 | -74.7 | -174.6 | 177.2 | -166.6 | 0 | 112.6 | R326 N327 K328 Q332 G333 W334 | R326-K330 WeakPolarHBondContact O-CB 3.42Å; R326-K330 WeakPolarHBondContact O-CG 3.44Å; R326-K330 PolarHBondContact O-N 3.34Å; N327-K330 PolarHBondContact O-N 2.9Å; K328-K330 VanDerWaalsContact C-N 3.32Å; K328-K330 PolarHBondContact O-N 3.24Å; K330-Q332 VanDerWaalsContact C-N 3.34Å; K330-Q332 PolarHBondContact O-N 3.18Å; K330-G333 PolarHBondContact O-N 3.32Å; K330-W334 PolarHBondContact O-N 3.2Å |
| 331 | E | 45 | Very low | 44.6 | Very low | 136 Ų | 136 | 116.6 Ų | 116.6 | 64% | 0.636 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.3 | -35 | 174.7 | -73.7 | -171.4 | 133.7 | 0 | 0 | 113.2 | N327 K328 K335 | N327-E331 PolarHBondContact O-N 2.96Å; K328-E331 PolarHBondContact O-N 2.8Å; E331-K335 PolarHBondContact O-N 3.1Å |
| 332 | Q | 44.1 | Very low | 42.8 | Very low | 114 Ų | 114 | 115.8 Ų | 115.8 | 53% | 0.533 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -72.6 | -38.9 | 175.8 | -74.8 | 174.3 | -44.5 | 0 | 0 | 111.7 | K328 I329 K330 K335 Q336 | K328-Q332 WeakPolarHBondContact O-CB 3.26Å; K328-Q332 VanDerWaalsContact O-CG 3.29Å; K328-Q332 WeakPolarHBondContact O-CG 3.47Å; K328-Q332 PolarHBondContact O-N 3.18Å; I329-Q332 PolarHBondContact O-N 2.91Å; K330-Q332 VanDerWaalsContact C-N 3.34Å; K330-Q332 PolarHBondContact O-N 3.18Å; Q332-K335 PolarHBondContact O-N 3.05Å; Q332-Q336 WeakPolarHBondContact O-CB 3.35Å; Q332-Q336 WeakPolarHBondContact O-CG 3.24Å; Q332-Q336 PolarHBondContact O-N 2.77Å |
| 333 | G | 37.8 | Very low | 41.4 | Very low | 27 Ų | 27 | 118.5 Ų | 118.5 | 28% | 0.278 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -62 | -43.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I329 K330 K335 Q336 L337 | I329-G333 PolarHBondContact O-N 2.64Å; K330-G333 PolarHBondContact O-N 3.32Å; G333-K335 VanDerWaalsContact C-N 3.31Å; G333-K335 PolarHBondContact O-N 3.36Å; G333-Q336 PolarHBondContact O-N 3.03Å; G333-L337 WeakPolarHBondContact O-CB 3.35Å; G333-L337 WeakPolarHBondContact O-CG 3.36Å; G333-L337 PolarHBondContact O-N 3.26Å |
| 334 | W | 32.2 | Very low | 40 | Very low | 168 Ų | 168 | 114.6 Ų | 114.6 | 64% | 0.636 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -62.7 | -34.1 | 172.8 | -77.1 | 117.1 | 0 | 0 | 0 | 113 | K330 L337 L338 | K330-W334 PolarHBondContact O-N 3.2Å; W334-L337 HydrophobicContact CE3-CD1 4.33Å; W334-L338 WeakPolarHBondContact O-CD1 3.33Å; W334-L338 WeakPolarHBondContact O-CG 3.29Å; W334-L338 PolarHBondContact O-N 2.8Å |
| 335 | K | 35.9 | Very low | 38.3 | Very low | 144 Ų | 144 | 118.5 Ų | 118.5 | 63% | 0.626 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -69.4 | -47.7 | 171.1 | -78.8 | -170.4 | 172.1 | -166.9 | 0 | 112.4 | E331 Q332 G333 L337 L338 D339 | E331-K335 PolarHBondContact O-N 3.1Å; Q332-K335 PolarHBondContact O-N 3.05Å; G333-K335 VanDerWaalsContact C-N 3.31Å; G333-K335 PolarHBondContact O-N 3.36Å; K335-L337 VanDerWaalsContact C-N 3.29Å; K335-L337 PolarHBondContact O-N 3.5Å; K335-L338 CarbonylContact O-C 3.38Å; K335-L338 WeakPolarHBondContact O-CA 3.48Å; K335-L338 WeakPolarHBondContact O-CB 3.35Å; K335-L338 PolarHBondContact O-N 3.39Å; K335-D339 PolarHBondContact O-N 3.44Å |
| 336 | Q | 36.9 | Very low | 36.8 | Very low | 121 Ų | 121 | 120.2 Ų | 120.2 | 57% | 0.565 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -64.1 | -32.8 | 179.5 | -71.4 | 174 | 2.5 | 0 | 0 | 112.4 | Q332 G333 L338 D339 H340 | Q332-Q336 WeakPolarHBondContact O-CB 3.35Å; Q332-Q336 WeakPolarHBondContact O-CG 3.24Å; Q332-Q336 PolarHBondContact O-N 2.77Å; G333-Q336 PolarHBondContact O-N 3.03Å; Q336-L338 VanDerWaalsContact C-N 3.28Å; Q336-L338 PolarHBondContact O-N 2.87Å; Q336-D339 PolarHBondContact O-N 2.79Å; Q336-H340 WeakPolarHBondContact O-CB 3.46Å; Q336-H340 PolarHBondContact O-N 3.46Å |
| 337 | L | 33.2 | Very low | 35.6 | Very low | 112 Ų | 112 | 119.1 Ų | 119.1 | 59% | 0.586 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -66.3 | -25.6 | 170.5 | -79 | 166 | 0 | 0 | 0 | 113.6 | G333 W334 K335 | G333-L337 WeakPolarHBondContact O-CB 3.35Å; G333-L337 WeakPolarHBondContact O-CG 3.36Å; G333-L337 PolarHBondContact O-N 3.26Å; W334-L337 HydrophobicContact CE3-CD1 4.33Å; K335-L337 VanDerWaalsContact C-N 3.29Å; K335-L337 PolarHBondContact O-N 3.5Å |
| 338 | L | 33.6 | Very low | 34.4 | Very low | 141 Ų | 141 | 119.1 Ų | 119.1 | 74% | 0.738 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -83.7 | -37.4 | 172.3 | -69.5 | 165.6 | 0 | 0 | 0 | 111.7 | W334 K335 Q336 | W334-L338 WeakPolarHBondContact O-CD1 3.33Å; W334-L338 WeakPolarHBondContact O-CG 3.29Å; W334-L338 PolarHBondContact O-N 2.8Å; K335-L338 CarbonylContact O-C 3.38Å; K335-L338 WeakPolarHBondContact O-CA 3.48Å; K335-L338 WeakPolarHBondContact O-CB 3.35Å; K335-L338 PolarHBondContact O-N 3.39Å; Q336-L338 VanDerWaalsContact C-N 3.28Å; Q336-L338 PolarHBondContact O-N 2.87Å |
| 339 | D | 30.9 | Very low | 33.1 | Very low | 120 Ų | 120 | 119.2 Ų | 119.2 | 64% | 0.642 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -80.7 | -10.1 | -177.6 | -66.2 | -34.3 | 0 | 0 | 0 | 114 | K335 Q336 | K335-D339 PolarHBondContact O-N 3.44Å; Q336-D339 PolarHBondContact O-N 2.79Å |
| 340 | H | 27.7 | Very low | 31.6 | Very low | 150 Ų | 150 | 122.7 Ų | 122.7 | 69% | 0.694 | 66% | 0.664 | S | S | * | * | trans | -120.6 | 53 | -176.6 | -70.9 | -7.3 | 0 | 0 | 0 | 114.8 | Q336 P342 | Q336-H340 WeakPolarHBondContact O-CB 3.46Å; Q336-H340 PolarHBondContact O-N 3.46Å; H340-P342 WeakPolarHBondContact O-CD 3.38Å | ||
| 341 | S | 27 | Very low | 30.6 | Very low | 105 Ų | 105 | 125.7 Ų | 125.7 | 73% | 0.734 | 68% | 0.68 | S | S | * | * | trans | -116 | 74 | 167.4 | -169 | 0 | 0 | 0 | 0 | 113.6 | L343 | S341-L343 PolarHBondContact O-N 3.32Š| ||
| 342 | P | 28.4 | Very low | 29.6 | Very low | 105 Ų | 105 | 128.4 Ų | 128.4 | 68% | 0.682 | 69% | 0.69 | S | S | * | * | trans | -87.4 | 80.9 | 179.1 | 35.2 | -35.3 | 0 | 0 | 0 | 112.7 | H340 | H340-P342 WeakPolarHBondContact O-CD 3.38Š| ||
| 343 | L | 26.2 | Very low | 28.7 | Very low | 153 Ų | 153 | 130.7 Ų | 130.7 | 80% | 0.801 | 71% | 0.705 | S | S | * | * | trans | -110.9 | 87.8 | 148.4 | -94.6 | 174.5 | 0 | 0 | 0 | 108.3 | S341 I345 | S341-L343 PolarHBondContact O-N 3.32Å; L343-I345 PolarHBondContact O-N 3.25Å | ||
| 344 | C | 25.3 | Very low | 28.1 | Very low | 105 Ų | 105 | 137.3 Ų | 137.3 | 71% | 0.709 | 73% | 0.731 | S | S | * | * | trans | -69.6 | 112.2 | -176.4 | -57.5 | 0 | 0 | 0 | 0 | 111.7 | T346 | C344-T346 HydrophobicContact CB-CG2 4.44Š| ||
| 345 | I | 25.8 | Very low | 27.7 | Very low | 163 Ų | 163 | 135.4 Ų | 135.4 | 84% | 0.836 | 74% | 0.738 | S | S | * | * | trans | -92.9 | 99.9 | 137.8 | -60.8 | 178.4 | 0 | 0 | 0 | 106 | L343 | L343-I345 PolarHBondContact O-N 3.25Š| ||
| 346 | T | 23.8 | Very low | 27.2 | Very low | 111 Ų | 111 | 134.4 Ų | 134.4 | 68% | 0.681 | 74% | 0.739 | S | S | * | * | trans | -79 | 139.3 | 158.9 | 51.4 | 0 | 0 | 0 | 0 | 108.4 | C344 | C344-T346 HydrophobicContact CB-CG2 4.44Š| ||
| 347 | P | 25.8 | Very low | 26.7 | Very low | 106 Ų | 106 | 136.1 Ų | 136.1 | 69% | 0.688 | 75% | 0.751 | S | S | * | * | -111.9 | 121.9 | 114.7 | 30.6 | -32.5 | 0 | 0 | 0 | 109.8 | V349 | P347-V349 PolarHBondContact O-N 2.79Š| |||
| 348 | A | 23.9 | Very low | 26.3 | Very low | 91 Ų | 91 | 136.4 Ų | 136.4 | 75% | 0.752 | 75% | 0.751 | S | S | * | * | trans | -78.2 | 110.8 | 162.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 349 | V | 27.6 | Very low | 25.9 | Very low | 126 Ų | 126 | 136.8 Ų | 136.8 | 76% | 0.764 | 75% | 0.754 | S | S | * | * | trans | -120.7 | 92.4 | 164.5 | -178.9 | 0 | 0 | 0 | 0 | 107.4 | P347 | P347-V349 PolarHBondContact O-N 2.79Š| ||
| 350 | N | 27.2 | Very low | 25.8 | Very low | 146 Ų | 146 | 138.8 Ų | 138.8 | 78% | 0.781 | 76% | 0.76 | S | S | * | * | trans | 17.4 | 112.9 | 159.2 | -55.7 | -12.6 | 0 | 0 | 0 | 118.4 | K352 | N350-K352 PolarHBondContact O-N 3.39Š| ||
| 351 | E | 23.3 | Very low | 25.7 | Very low | 196 Ų | 196 | 138.1 Ų | 138.1 | 92% | 0.916 | 76% | 0.762 | S | S | * | * | trans | -66.1 | 109.9 | 145.1 | -66.7 | 179.7 | 130.9 | 0 | 0 | 109.3 | ||||
| 352 | K | 25 | Very low | 25.8 | Very low | 193 Ų | 193 | 137.5 Ų | 137.5 | 84% | 0.839 | 76% | 0.755 | S | S | * | * | trans | -176.7 | 145.4 | 142.2 | -102.7 | 161.4 | -174.7 | -176.6 | 0 | 110.2 | N350 | N350-K352 PolarHBondContact O-N 3.39Š| ||
| 353 | N | 25.7 | Very low | 25.9 | Very low | 161 Ų | 161 | 142.4 Ų | 142.4 | 86% | 0.861 | 77% | 0.765 | S | S | * | * | trans | 69.1 | 126.4 | -165.4 | -50.4 | -10 | 0 | 0 | 0 | 112 | ||||
| 354 | M | 24.1 | Very low | 25.9 | Very low | 166 Ų | 166 | 141.1 Ų | 141.1 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | cis | -122.6 | 145.6 | 4.8 | -67.5 | 178.3 | 67.5 | 0 | 0 | 112.8 | ||||
| 355 | V | 23.6 | Very low | 25.8 | Very low | 128 Ų | 128 | 144.4 Ų | 144.4 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | trans | -134.1 | 144.3 | 155.9 | 167.9 | 0 | 0 | 0 | 0 | 106 | ||||
| 356 | N | 25.1 | Very low | 25.9 | Very low | 124 Ų | 124 | 142.4 Ų | 142.4 | 66% | 0.663 | 75% | 0.751 | S | S | * | * | trans | 69.8 | 96.6 | 179.1 | -58.2 | -17.1 | 0 | 0 | 0 | 118.2 | I358 | N356-I358 HydrophobicContact CB-CD1 4.23Å; N356-I358 HydrophobicContact CB-CG1 4.28Å | ||
| 357 | I | 27.1 | Very low | 26 | Very low | 156 Ų | 156 | 143.4 Ų | 143.4 | 80% | 0.8 | 76% | 0.757 | S | S | * | * | -137.9 | 105.9 | 106.6 | -55.5 | -173.8 | 0 | 0 | 0 | 103.7 | |||||
| 358 | I | 24.6 | Very low | 25.9 | Very low | 118 Ų | 118 | 148.3 Ų | 148.3 | 61% | 0.605 | 76% | 0.763 | S | S | * | * | 76.5 | 108.8 | 65.2 | -62.7 | 172.9 | 0 | 0 | 0 | 112.4 | N356 | N356-I358 HydrophobicContact CB-CD1 4.23Å; N356-I358 HydrophobicContact CB-CG1 4.28Å | |||
| 359 | D | 24.7 | Very low | 25.8 | Very low | 149 Ų | 149 | 153.3 Ų | 153.3 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | trans | 56.5 | 151.3 | 162 | -65.1 | -40.8 | 0 | 0 | 0 | 119.7 | ||||
| 360 | E | 28.8 | Very low | 25.5 | Very low | 162 Ų | 162 | 156.1 Ų | 156.1 | 76% | 0.757 | 77% | 0.766 | S | S | * | * | cis | -131.4 | 165.9 | 19 | -63.9 | -173.2 | 163.9 | 0 | 0 | 116.7 | ||||
| 361 | N | 26 | Very low | 25.8 | Very low | 137 Ų | 137 | 154 Ų | 154 | 73% | 0.733 | 76% | 0.76 | S | S | * | * | trans | 89.2 | 112.5 | 142.2 | -98.7 | -63.5 | 0 | 0 | 0 | 120.4 | ||||
| 362 | P | 30.1 | Very low | 25.7 | Very low | 92 Ų | 92 | 150.3 Ų | 150.3 | 60% | 0.597 | 75% | 0.752 | S | S | * | * | trans | -120.5 | 158.9 | -170.7 | 42.5 | -33.8 | 0 | 0 | 0 | 117.2 | I364 | P362-I364 HydrophobicContact CB-CG1 4.44Å; P362-I364 HydrophobicContact CG-CD1 4.2Å | ||
| 363 | K | 31 | Very low | 25.6 | Very low | 207 Ų | 207 | 147.8 Ų | 147.8 | 90% | 0.9 | 75% | 0.746 | S | S | * | * | trans | -144.9 | 113.5 | 146.2 | -64.4 | -172.1 | -178.4 | 175.1 | 0 | 108.1 | ||||
| 364 | I | 25.2 | Very low | 25.5 | Very low | 126 Ų | 126 | 148.4 Ų | 148.4 | 65% | 0.646 | 74% | 0.743 | S | S | * | * | cis | 87.6 | 104.7 | 45.7 | -62.7 | 175 | 0 | 0 | 0 | 113 | P362 | P362-I364 HydrophobicContact CB-CG1 4.44Å; P362-I364 HydrophobicContact CG-CD1 4.2Å | ||
| 365 | K | 23.8 | Very low | 25.4 | Very low | 174 Ų | 174 | 144.8 Ų | 144.8 | 76% | 0.757 | 73% | 0.734 | S | S | * | * | trans | 69.9 | 152 | 152.6 | -68 | 179.4 | 175.1 | -169.2 | 0 | 118.9 | ||||
| 366 | D | 28.4 | Very low | 25.5 | Very low | 121 Ų | 121 | 144 Ų | 144 | 65% | 0.647 | 73% | 0.73 | S | S | * | * | cis | -151.7 | 130.9 | -7.4 | -103.7 | -26.7 | 0 | 0 | 0 | 108.1 | ||||
| 367 | V | 25.9 | Very low | 25.4 | Very low | 133 Ų | 133 | 144.3 Ų | 144.3 | 81% | 0.806 | 73% | 0.732 | S | S | * | * | 86.9 | 155.4 | 92.7 | 173.7 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 368 | Y | 21.9 | Very low | 25.4 | Very low | 208 Ų | 208 | 145.2 Ų | 145.2 | 82% | 0.816 | 73% | 0.732 | S | S | * | * | trans | -99.9 | 169.8 | -158.6 | -91.7 | -101.5 | 0 | 0 | 0 | 116.6 | ||||
| 369 | Y | 23.1 | Very low | 25.3 | Very low | 196 Ų | 196 | 143 Ų | 143 | 77% | 0.769 | 73% | 0.727 | S | S | * | * | trans | 71.4 | 99.8 | 148.3 | -92.8 | -76.1 | 0 | 0 | 0 | 121.9 | ||||
| 370 | K | 21.2 | Very low | 25.5 | Very low | 185 Ų | 185 | 145.6 Ų | 145.6 | 80% | 0.804 | 73% | 0.727 | S | S | * | * | 44.9 | 152.4 | 114.7 | -135.5 | -165.8 | 177.2 | -172.6 | 0 | 120.9 | |||||
| 371 | P | 33.2 | Very low | 25.4 | Very low | 101 Ų | 101 | 144.7 Ų | 144.7 | 66% | 0.656 | 73% | 0.728 | S | S | * | * | -131.3 | -179.6 | -58.8 | 42.2 | -28 | 0 | 0 | 0 | 114.2 | |||||
| 372 | T | 21.9 | Very low | 25.4 | Very low | 120 Ų | 120 | 143.7 Ų | 143.7 | 74% | 0.736 | 73% | 0.73 | S | S | * | * | 157 | 114.6 | 129.4 | -65.8 | 0 | 0 | 0 | 0 | 115 | |||||
| 373 | I | 22.3 | Very low | 25.2 | Very low | 139 Ų | 139 | 146.7 Ų | 146.7 | 71% | 0.713 | 74% | 0.741 | S | S | * | * | trans | 29.3 | 142 | 144.7 | -34.4 | 174.9 | 0 | 0 | 0 | 122.6 | ||||
| 374 | H | 23.7 | Very low | 25.3 | Very low | 174 Ų | 174 | 142.3 Ų | 142.3 | 81% | 0.806 | 73% | 0.734 | S | S | * | * | trans | 89.3 | 141 | 165.4 | -61.1 | -81.3 | 0 | 0 | 0 | 117.7 | ||||
| 375 | S | 22.6 | Very low | 25.3 | Very low | 91 Ų | 91 | 142.1 Ų | 142.1 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | cis | -166.2 | 168.7 | -23.1 | 56.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 376 | T | 24.2 | Very low | 25.6 | Very low | 111 Ų | 111 | 139 Ų | 139 | 68% | 0.681 | 74% | 0.744 | S | S | * | * | trans | 67.1 | 110.5 | 153.5 | 44.2 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 377 | N | 24.1 | Very low | 25.6 | Very low | 131 Ų | 131 | 138.4 Ų | 138.4 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | 95.9 | 128.6 | 122 | -66.8 | 2.6 | 0 | 0 | 0 | 123.7 | |||||
| 378 | Q | 26.4 | Very low | 25.7 | Very low | 175 Ų | 175 | 138.4 Ų | 138.4 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | trans | 71.9 | 144.5 | 144.6 | -71.1 | 167.6 | -9.4 | 0 | 0 | 120 | ||||
| 379 | S | 23.7 | Very low | 25.8 | Very low | 71 Ų | 71 | 133.7 Ų | 133.7 | 50% | 0.497 | 75% | 0.749 | S | S | . | * | cis | -171.1 | 169.8 | -25.8 | 45.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 380 | Y | 27.5 | Very low | 26 | Very low | 203 Ų | 203 | 131 Ų | 131 | 80% | 0.796 | 75% | 0.753 | S | S | * | * | trans | 70.1 | 137.4 | 176.9 | -41.1 | -72.9 | 0 | 0 | 0 | 114.8 | ||||
| 381 | D | 27 | Very low | 26.5 | Very low | 144 Ų | 144 | 129.7 Ų | 129.7 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | cis | -163.4 | 173.3 | -14.5 | -102.2 | -22.1 | 0 | 0 | 0 | 107.1 | ||||
| 382 | C | 26.7 | Very low | 26.3 | Very low | 116 Ų | 116 | 131.2 Ų | 131.2 | 78% | 0.784 | 76% | 0.76 | S | S | * | * | cis | -142.8 | -133.3 | 12.5 | -164.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 383 | N | 25.6 | Very low | 26.7 | Very low | 155 Ų | 155 | 129.3 Ų | 129.3 | 83% | 0.829 | 76% | 0.757 | S | S | * | * | trans | -125.6 | 171.9 | -165.1 | -101.2 | -24.8 | 0 | 0 | 0 | 115.5 | ||||
| 384 | P | 32.7 | Very low | 27.3 | Very low | 115 Ų | 115 | 127.2 Ų | 127.2 | 75% | 0.747 | 75% | 0.747 | S | S | * | * | trans | -122.5 | 168 | -145.3 | 44.1 | -36.3 | 0 | 0 | 0 | 118.4 | ||||
| 385 | S | 25.5 | Very low | 27.9 | Very low | 122 Ų | 122 | 122.4 Ų | 122.4 | 85% | 0.853 | 74% | 0.737 | S | S | * | * | trans | -173.6 | 155.4 | 145.4 | 49.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 386 | S | 31.1 | Very low | 28.4 | Very low | 109 Ų | 109 | 125.5 Ų | 125.5 | 76% | 0.762 | 74% | 0.74 | S | S | * | * | cis | -148.7 | 162.7 | 7.8 | 54.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 387 | S | 28 | Very low | 29.3 | Very low | 108 Ų | 108 | 123.8 Ų | 123.8 | 76% | 0.755 | 73% | 0.729 | S | S | * | * | trans | 29 | 123.5 | 155.6 | -54.8 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 388 | P | 27.7 | Very low | 30.3 | Very low | 132 Ų | 132 | 123.1 Ų | 123.1 | 86% | 0.857 | 72% | 0.72 | S | S | * | * | trans | -102.2 | 125.5 | 171.3 | 36 | -28.9 | 0 | 0 | 0 | 114.3 | ||||
| 389 | S | 24.3 | Very low | 31 | Very low | 110 Ų | 110 | 122.6 Ų | 122.6 | 77% | 0.769 | 71% | 0.712 | S | S | * | * | trans | -160.5 | 29.3 | -176.5 | 55.2 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 390 | V | 27.4 | Very low | 32.1 | Very low | 138 Ų | 138 | 125.2 Ų | 125.2 | 84% | 0.836 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -136.2 | 56.8 | -178.4 | -157.3 | 0 | 0 | 0 | 0 | 116.2 | ||
| 391 | I | 30.5 | Very low | 33.1 | Very low | 159 Ų | 159 | 121.5 Ų | 121.5 | 82% | 0.815 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -134.9 | -20.7 | 167 | -63.7 | -174.7 | 0 | 0 | 0 | 114.1 | A393 | I391-A393 PolarHBondContact O-N 2.84Š|
| 392 | V | 30.6 | Very low | 33.9 | Very low | 133 Ų | 133 | 119 Ų | 119 | 81% | 0.806 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -84 | -13.2 | -166.5 | -175.6 | 0 | 0 | 0 | 0 | 114.9 | ||
| 393 | A | 30.2 | Very low | 35.1 | Very low | 80 Ų | 80 | 119.7 Ų | 119.7 | 66% | 0.661 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -79.8 | -30.2 | -169.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | I391 T397 | I391-A393 PolarHBondContact O-N 2.84Å; A393-T397 PolarHBondContact O-OG1 3.23Å |
| 394 | D | 35 | Very low | 36.2 | Very low | 95 Ų | 95 | 114.7 Ų | 114.7 | 51% | 0.508 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -80.1 | -32.9 | -170.2 | -174.7 | 59.7 | 0 | 0 | 0 | 113.3 | K398 | D394-K398 VanDerWaalsContact CG-NZ 3.3Å; D394-K398 PolarHBondContact O-N 2.86Å; D394-K398 IonicContact OD1-NZ 3.19Å; D394-K398 PolarHBondContact OD1-NZ 3.34Å; D394-K398 IonicContact OD2-NZ 2.75Å; D394-K398 PolarHBondContact OD2-NZ 3.3Å |
| 395 | A | 35.1 | Very low | 37.1 | Very low | 73 Ų | 73 | 116.2 Ų | 116.2 | 60% | 0.603 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -68 | -40.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113 | Y399 | A395-Y399 PolarHBondContact O-N 3.4Å; A395-Y399 VanDerWaalsContact O-N 3.1Å |
| 396 | F | 34.4 | Very low | 37.9 | Very low | 156 Ų | 156 | 114.9 Ų | 114.9 | 68% | 0.684 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -71.2 | -34.4 | -178.3 | -143 | -91.5 | 0 | 0 | 0 | 112 | Y399 K400 | F396-Y399 PolarHBondContact O-N 2.99Å; F396-K400 PolarHBondContact O-N 3.44Å |
| 397 | T | 41.8 | Very low | 38.3 | Very low | 75 Ų | 75 | 115 Ų | 115 | 46% | 0.46 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -65.6 | -45.8 | 177.7 | -53.8 | 0 | 0 | 0 | 0 | 111.2 | A393 K400 Q401 | A393-T397 PolarHBondContact O-OG1 3.23Å; T397-K400 PolarHBondContact O-N 2.85Å; T397-Q401 WeakPolarHBondContact O-CB 3.44Å; T397-Q401 WeakPolarHBondContact O-CG 3.41Å; T397-Q401 PolarHBondContact O-N 2.9Å |
| 398 | K | 44.7 | Very low | 38.8 | Very low | 116 Ų | 116 | 116 Ų | 116 | 50% | 0.504 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -64.5 | -40.4 | 174.3 | -79.3 | 165.4 | 178.3 | 145.7 | 0 | 112.8 | D394 Q401 E402 | D394-K398 VanDerWaalsContact CG-NZ 3.3Å; D394-K398 PolarHBondContact O-N 2.86Å; D394-K398 IonicContact OD1-NZ 3.19Å; D394-K398 PolarHBondContact OD1-NZ 3.34Å; D394-K398 IonicContact OD2-NZ 2.75Å; D394-K398 PolarHBondContact OD2-NZ 3.3Å; K398-Q401 PolarHBondContact O-N 3.33Å; K398-E402 PolarHBondContact O-N 3.49Å |
| 399 | Y | 41.8 | Very low | 39.3 | Very low | 165 Ų | 165 | 114.1 Ų | 114.1 | 65% | 0.647 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -62.5 | -43.3 | 176.5 | -176.2 | -102.5 | 0 | 0 | 0 | 112.3 | A395 F396 R403 | A395-Y399 PolarHBondContact O-N 3.4Å; A395-Y399 VanDerWaalsContact O-N 3.1Å; F396-Y399 PolarHBondContact O-N 2.99Å; Y399-R403 WeakPolarHBondContact O-CB 3.42Å; Y399-R403 PolarHBondContact O-N 2.93Å |
| 400 | K | 47.6 | Very low | 39.8 | Very low | 126 Ų | 126 | 115.7 Ų | 115.7 | 55% | 0.548 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64.8 | -47.3 | 175.7 | -172.8 | 176.3 | 179.4 | -174.9 | 0 | 111.7 | F396 T397 E402 R403 D404 | F396-K400 PolarHBondContact O-N 3.44Å; T397-K400 PolarHBondContact O-N 2.85Å; K400-E402 VanDerWaalsContact C-N 3.34Å; K400-E402 PolarHBondContact O-N 3.32Å; K400-R403 PolarHBondContact O-N 2.87Å; K400-D404 WeakPolarHBondContact CE-OD2 3.36Å; K400-D404 WeakPolarHBondContact CG-OD2 3.25Å; K400-D404 WeakPolarHBondContact O-CB 3.45Å; K400-D404 VanDerWaalsContact O-CG 3.25Å; K400-D404 PolarHBondContact O-N 3.44Å |
| 401 | Q | 47.6 | Very low | 39.8 | Very low | 124 Ų | 124 | 114.1 Ų | 114.1 | 58% | 0.579 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -56.7 | -44.6 | 177.7 | -77.7 | 176.5 | -16.3 | 0 | 0 | 112.4 | T397 K398 R405 | T397-Q401 WeakPolarHBondContact O-CB 3.44Å; T397-Q401 WeakPolarHBondContact O-CG 3.41Å; T397-Q401 PolarHBondContact O-N 2.9Å; K398-Q401 PolarHBondContact O-N 3.33Å; Q401-R405 VanDerWaalsContact O-CB 3.22Å; Q401-R405 WeakPolarHBondContact O-CB 3.49Å; Q401-R405 PolarHBondContact O-N 2.95Å |
| 402 | E | 44.3 | Very low | 39.6 | Very low | 91 Ų | 91 | 114.3 Ų | 114.3 | 43% | 0.425 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -74.6 | -32.4 | -178.7 | -159.7 | 65.6 | -173.1 | 0 | 0 | 112.5 | K398 K400 R405 I406 | K398-E402 PolarHBondContact O-N 3.49Å; K400-E402 VanDerWaalsContact C-N 3.34Å; K400-E402 PolarHBondContact O-N 3.32Å; E402-R405 PolarHBondContact O-N 3.48Å; E402-R405 WeakPolarHBondContact OE2-CD 3.36Å; E402-R405 IonicContact OE2-NH1 3.22Å; E402-R405 PolarHBondContact OE2-NH1 3.23Å; E402-R405 VanDerWaalsContact OE2-NH1 3.13Å; E402-I406 HydrophobicContact CG-CD1 4.44Å; E402-I406 VanDerWaalsContact O-CG1 3.29Å; E402-I406 WeakPolarHBondContact O-CG1 3.43Å; E402-I406 PolarHBondContact O-N 3.36Å |
| 403 | R | 50.7 | Low | 39.5 | Very low | 132 Ų | 132 | 114.7 Ų | 114.7 | 50% | 0.498 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.6 | -49.7 | 170.8 | -167.2 | -160.8 | 76 | 144.6 | 8.6 | 111.3 | Y399 K400 R405 I406 Q407 | Y399-R403 WeakPolarHBondContact O-CB 3.42Å; Y399-R403 PolarHBondContact O-N 2.93Å; K400-R403 PolarHBondContact O-N 2.87Å; R403-R405 VanDerWaalsContact C-N 3.26Å; R403-R405 PolarHBondContact O-N 2.97Å; R403-I406 PolarHBondContact O-N 3.46Å; R403-Q407 PolarHBondContact O-N 3.07Å |
| 404 | D | 48.8 | Very low | 39.4 | Very low | 49 Ų | 49 | 121.6 Ų | 121.6 | 26% | 0.262 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -70.2 | -27.7 | -177.5 | -60.4 | -14.5 | 0 | 0 | 0 | 110.6 | K400 Q408 | K400-D404 WeakPolarHBondContact CE-OD2 3.36Å; K400-D404 WeakPolarHBondContact CG-OD2 3.25Å; K400-D404 WeakPolarHBondContact O-CB 3.45Å; K400-D404 VanDerWaalsContact O-CG 3.25Å; K400-D404 PolarHBondContact O-N 3.44Å; D404-Q408 WeakPolarHBondContact O-CG 3.42Å; D404-Q408 PolarHBondContact O-N 3.43Å; D404-Q408 VanDerWaalsContact O-N 3.15Å |
| 405 | R | 53.4 | Low | 38.9 | Very low | 148 Ų | 148 | 124 Ų | 124 | 56% | 0.558 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.6 | -44.2 | 169.2 | -170 | -174.3 | -154 | 159.1 | 5.7 | 113.1 | Q401 E402 R403 Q407 Q408 I409 | Q401-R405 VanDerWaalsContact O-CB 3.22Å; Q401-R405 WeakPolarHBondContact O-CB 3.49Å; Q401-R405 PolarHBondContact O-N 2.95Å; E402-R405 PolarHBondContact O-N 3.48Å; E402-R405 WeakPolarHBondContact OE2-CD 3.36Å; E402-R405 IonicContact OE2-NH1 3.22Å; E402-R405 PolarHBondContact OE2-NH1 3.23Å; E402-R405 VanDerWaalsContact OE2-NH1 3.13Å; R403-R405 VanDerWaalsContact C-N 3.26Å; R403-R405 PolarHBondContact O-N 2.97Å; R405-Q407 VanDerWaalsContact C-N 3.31Å; R405-Q407 PolarHBondContact O-N 3Å; R405-Q408 PolarHBondContact O-N 3.48Å; R405-Q408 VanDerWaalsContact O-N 3.08Å; R405-I409 HydrophobicContact CG-CD1 4.23Å; R405-I409 WeakPolarHBondContact O-CG1 3.27Å; R405-I409 PolarHBondContact O-N 3.49Å |
| 406 | I | 41.7 | Very low | 38.6 | Very low | 93 Ų | 93 | 124.7 Ų | 124.7 | 48% | 0.477 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -63.7 | -38.8 | 176.2 | -71 | 164.8 | 0 | 0 | 0 | 110.5 | E402 R403 Q408 I409 N410 | E402-I406 HydrophobicContact CG-CD1 4.44Å; E402-I406 VanDerWaalsContact O-CG1 3.29Å; E402-I406 WeakPolarHBondContact O-CG1 3.43Å; E402-I406 PolarHBondContact O-N 3.36Å; R403-I406 PolarHBondContact O-N 3.46Å; I406-Q408 VanDerWaalsContact C-N 3.26Å; I406-Q408 PolarHBondContact O-N 3.02Å; I406-I409 PolarHBondContact O-N 2.91Å; I406-N410 PolarHBondContact O-N 2.98Å |
| 407 | Q | 39.8 | Very low | 38.3 | Very low | 111 Ų | 111 | 127.9 Ų | 127.9 | 52% | 0.519 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -66.3 | -23.9 | 173.2 | -67.6 | -172.4 | -63.7 | 0 | 0 | 113.4 | R403 R405 C411 | R403-Q407 PolarHBondContact O-N 3.07Å; R405-Q407 VanDerWaalsContact C-N 3.31Å; R405-Q407 PolarHBondContact O-N 3Å; Q407-C411 PolarHBondContact O-SG 2.7Å |
| 408 | Q | 37 | Very low | 37.6 | Very low | 131 Ų | 131 | 131.4 Ų | 131.4 | 61% | 0.612 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -84.1 | -23.5 | 171.9 | -73.1 | -177.4 | 10.2 | 0 | 0 | 114.2 | D404 R405 I406 | D404-Q408 WeakPolarHBondContact O-CG 3.42Å; D404-Q408 PolarHBondContact O-N 3.43Å; D404-Q408 VanDerWaalsContact O-N 3.15Å; R405-Q408 PolarHBondContact O-N 3.48Å; R405-Q408 VanDerWaalsContact O-N 3.08Å; I406-Q408 VanDerWaalsContact C-N 3.26Å; I406-Q408 PolarHBondContact O-N 3.02Å |
| 409 | I | 39.7 | Very low | 36.6 | Very low | 91 Ų | 91 | 130 Ų | 130 | 47% | 0.467 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -74.9 | -43.6 | 177.4 | -71.5 | 165.6 | 0 | 0 | 0 | 110.6 | R405 I406 C411 K412 | R405-I409 HydrophobicContact CG-CD1 4.23Å; R405-I409 WeakPolarHBondContact O-CG1 3.27Å; R405-I409 PolarHBondContact O-N 3.49Å; I406-I409 PolarHBondContact O-N 2.91Å; I409-C411 PolarHBondContact O-N 3.19Å; I409-K412 PolarHBondContact O-N 3.05Å |
| 410 | N | 34.7 | Very low | 35.9 | Very low | 143 Ų | 143 | 128 Ų | 128 | 77% | 0.765 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | 3.2 | 173.4 | -83.1 | 9.6 | 0 | 0 | 0 | 114.6 | I406 | I406-N410 PolarHBondContact O-N 2.98Š|
| 411 | C | 27.7 | Very low | 34.8 | Very low | 106 Ų | 106 | 130.1 Ų | 130.1 | 72% | 0.716 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113 | 16.3 | 178.1 | -66 | 0 | 0 | 0 | 0 | 113.6 | Q407 I409 | Q407-C411 PolarHBondContact O-SG 2.7Å; I409-C411 PolarHBondContact O-N 3.19Å |
| 412 | K | 26.6 | Very low | 34 | Very low | 162 Ų | 162 | 132.6 Ų | 132.6 | 70% | 0.704 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -136.6 | -1.6 | -173.5 | -74.2 | -171.2 | 174.7 | 178.1 | 0 | 118.1 | I409 | I409-K412 PolarHBondContact O-N 3.05Š|
| 413 | D | 28 | Very low | 33.2 | Very low | 142 Ų | 142 | 132.8 Ų | 132.8 | 76% | 0.759 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -108.9 | 27.4 | -177.9 | -81.2 | -44.5 | 0 | 0 | 0 | 114.6 | ||
| 414 | Y | 26.5 | Very low | 32 | Very low | 225 Ų | 225 | 134.3 Ų | 134.3 | 88% | 0.882 | 67% | 0.665 | S | S | * | * | trans | -134.7 | 153.5 | 158.2 | -89.2 | -91.1 | 0 | 0 | 0 | 108.7 | ||||
| 415 | D | 26.1 | Very low | 31.1 | Very low | 146 Ų | 146 | 138 Ų | 138 | 78% | 0.781 | 69% | 0.688 | S | S | * | * | trans | 69.2 | 129.5 | -163.8 | -73.3 | -34.1 | 0 | 0 | 0 | 115.4 | ||||
| 416 | N | 28.2 | Very low | 29.9 | Very low | 86 Ų | 86 | 137.6 Ų | 137.6 | 46% | 0.46 | 70% | 0.696 | S | S | . | * | cis | -160 | 133.7 | -5 | -155.7 | -70.8 | 0 | 0 | 0 | 112.2 | ||||
| 417 | Y | 27.2 | Very low | 28.9 | Very low | 223 Ų | 223 | 139.8 Ų | 139.8 | 88% | 0.875 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -173.5 | 121.6 | 151.3 | -96.1 | -66.7 | 0 | 0 | 0 | 107.4 | ||
| 418 | N | 27.8 | Very low | 28.4 | Very low | 149 Ų | 149 | 140 Ų | 140 | 80% | 0.797 | 73% | 0.728 | S | S | * | * | cis | -114.9 | 140 | 10 | -77.8 | -57.8 | 0 | 0 | 0 | 113.2 | ||||
| 419 | C | 23.4 | Very low | 27.8 | Very low | 87 Ų | 87 | 143.5 Ų | 143.5 | 59% | 0.588 | 74% | 0.741 | S | S | * | * | trans | -124.9 | 139.4 | 167.2 | -95.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 420 | V | 26.6 | Very low | 27.4 | Very low | 124 Ų | 124 | 145.2 Ų | 145.2 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | trans | -141.8 | 94.1 | 157.1 | -173.8 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 421 | K | 25.7 | Very low | 27.1 | Very low | 170 Ų | 170 | 146.5 Ų | 146.5 | 74% | 0.739 | 76% | 0.763 | S | S | * | * | 52.4 | 122.8 | 95.7 | -60 | -167.3 | 177.4 | -162.8 | 0 | 112.3 | |||||
| 422 | H | 29.5 | Very low | 27.1 | Very low | 175 Ų | 175 | 148 Ų | 148 | 81% | 0.81 | 76% | 0.764 | S | S | * | * | cis | -141.7 | 166.8 | 37.5 | -79.8 | -107.7 | 0 | 0 | 0 | 110.9 | ||||
| 423 | S | 27.5 | Very low | 27 | Very low | 96 Ų | 96 | 145.4 Ų | 145.4 | 67% | 0.671 | 76% | 0.762 | S | S | * | * | cis | -162.5 | 158 | -6.1 | 37.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 424 | E | 25.8 | Very low | 26.9 | Very low | 164 Ų | 164 | 145.7 Ų | 145.7 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | trans | -14.4 | 154 | 161.1 | -63.1 | 130.8 | -154.6 | 0 | 0 | 119.2 | ||||
| 425 | V | 29.5 | Very low | 26.8 | Very low | 125 Ų | 125 | 140 Ų | 140 | 76% | 0.758 | 76% | 0.755 | S | S | * | * | cis | -148.5 | 108.5 | 45.7 | 168.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 426 | I | 28.2 | Very low | 26.7 | Very low | 140 Ų | 140 | 138.9 Ų | 138.9 | 72% | 0.718 | 75% | 0.753 | S | S | * | * | 79.9 | 127.8 | 97.2 | -65.5 | 162.5 | 0 | 0 | 0 | 116.9 | |||||
| 427 | T | 22.6 | Very low | 26.5 | Very low | 140 Ų | 140 | 139.3 Ų | 139.3 | 86% | 0.859 | 76% | 0.763 | S | S | * | * | trans | -121.2 | 178.7 | 166.8 | 51.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 428 | S | 27.4 | Very low | 26.6 | Very low | 116 Ų | 116 | 136.3 Ų | 136.3 | 81% | 0.811 | 76% | 0.76 | S | S | * | * | trans | -90.9 | 165.4 | -161 | 54.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 429 | K | 24.6 | Very low | 26.9 | Very low | 204 Ų | 204 | 134.3 Ų | 134.3 | 89% | 0.887 | 76% | 0.756 | S | S | * | * | trans | -163.1 | 146.8 | 153.3 | -113.2 | 170.6 | -174.3 | 177.8 | 0 | 113.1 | ||||
| 430 | P | 32.1 | Very low | 27.1 | Very low | 126 Ų | 126 | 134.6 Ų | 134.6 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | -108.8 | -167.3 | -179.7 | 41.7 | -35.2 | 0 | 0 | 0 | 115 | ||||
| 431 | I | 29.3 | Very low | 27.3 | Very low | 170 Ų | 170 | 137.4 Ų | 137.4 | 87% | 0.872 | 76% | 0.763 | S | S | * | * | trans | -113.7 | 169.5 | -167.9 | -62.7 | 162.6 | 0 | 0 | 0 | 111.2 | ||||
| 432 | D | 26.6 | Very low | 27.3 | Very low | 138 Ų | 138 | 133.7 Ų | 133.7 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | trans | -129.4 | 164.6 | -179.7 | -160.3 | -0.6 | 0 | 0 | 0 | 113.8 | ||||
| 433 | T | 25.5 | Very low | 27.2 | Very low | 108 Ų | 108 | 132.3 Ų | 132.3 | 66% | 0.663 | 76% | 0.757 | S | S | * | * | trans | 87.4 | 106.4 | 161.4 | 60.9 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 434 | I | 26 | Very low | 27 | Very low | 148 Ų | 148 | 131.6 Ų | 131.6 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | 89.5 | 101.4 | 118.4 | -66.8 | 169.5 | 0 | 0 | 0 | 123 | |||||
| 435 | S | 22.6 | Very low | 27 | Very low | 104 Ų | 104 | 131.2 Ų | 131.2 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | trans | 70.5 | 162.2 | 138.6 | 76.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 436 | V | 24 | Very low | 27 | Very low | 124 Ų | 124 | 128.5 Ų | 128.5 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | cis | -146.6 | 151.1 | 17.9 | -178.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 437 | S | 25.8 | Very low | 27 | Very low | 95 Ų | 95 | 128.6 Ų | 128.6 | 66% | 0.664 | 76% | 0.756 | S | S | * | * | trans | 75.7 | 108.1 | 153.5 | -84 | 0 | 0 | 0 | 0 | 126 | ||||
| 438 | I | 27.7 | Very low | 27.4 | Very low | 159 Ų | 159 | 127.9 Ų | 127.9 | 82% | 0.815 | 75% | 0.751 | S | S | * | * | 45.1 | 163.1 | 123 | 12.5 | 177.4 | 0 | 0 | 0 | 123 | |||||
| 439 | P | 34.5 | Very low | 27.2 | Very low | 108 Ų | 108 | 127.1 Ų | 127.1 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | -129.5 | -175.4 | -108.5 | 45.7 | -29.2 | 0 | 0 | 0 | 115.2 | |||||
| 440 | S | 27.5 | Very low | 27.5 | Very low | 92 Ų | 92 | 124.3 Ų | 124.3 | 64% | 0.643 | 75% | 0.746 | S | S | * | * | 163.3 | 138.7 | 126.8 | -78 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 441 | Q | 30.4 | Very low | 27.3 | Very low | 184 Ų | 184 | 124.4 Ų | 124.4 | 86% | 0.86 | 74% | 0.744 | S | S | * | * | trans | 64.2 | 165.2 | 143.4 | -70.1 | 175.3 | 38.8 | 0 | 0 | 117.8 | ||||
| 442 | S | 26.7 | Very low | 27.4 | Very low | 91 Ų | 91 | 121 Ų | 121 | 64% | 0.636 | 73% | 0.733 | S | S | * | * | cis | -166.1 | 169.7 | -27.6 | -177 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 443 | L | 26.3 | Very low | 27.6 | Very low | 147 Ų | 147 | 123.2 Ų | 123.2 | 77% | 0.77 | 74% | 0.739 | S | S | * | * | trans | 13 | 119.6 | 166.5 | -87.9 | 71.3 | 0 | 0 | 0 | 118.9 | ||||
| 444 | A | 24.8 | Very low | 27.7 | Very low | 81 Ų | 81 | 124.5 Ų | 124.5 | 67% | 0.669 | 75% | 0.747 | S | S | * | * | 81.7 | 156.8 | 71 | 0 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 445 | I | 25.5 | Very low | 28 | Very low | 155 Ų | 155 | 122.9 Ų | 122.9 | 80% | 0.795 | 75% | 0.746 | S | S | * | * | trans | 71.5 | 135.1 | 179.4 | -49.5 | 156.1 | 0 | 0 | 0 | 112.4 | I447 | I445-I447 HydrophobicContact CG2-CD1 3.79Å; I445-I447 HydrophobicContact CG2-CG1 4.4Å | ||
| 446 | G | 28.4 | Very low | 28.4 | Very low | 68 Ų | 68 | 123.3 Ų | 123.3 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | cis | -164.7 | -147.7 | -1.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 447 | I | 29.7 | Very low | 28.5 | Very low | 142 Ų | 142 | 123.6 Ų | 123.6 | 73% | 0.728 | 75% | 0.751 | S | S | * | * | cis | -168.6 | 145.3 | -9.2 | -122.1 | 163.5 | 0 | 0 | 0 | 107.1 | I445 | I445-I447 HydrophobicContact CG2-CD1 3.79Å; I445-I447 HydrophobicContact CG2-CG1 4.4Å | ||
| 448 | V | 29.8 | Very low | 28.8 | Very low | 126 Ų | 126 | 124.3 Ų | 124.3 | 76% | 0.764 | 75% | 0.754 | S | S | * | * | trans | 49.4 | 111.1 | 160.1 | 176.1 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 449 | S | 23.6 | Very low | 28.8 | Very low | 99 Ų | 99 | 124.1 Ų | 124.1 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | 70.2 | 99.7 | 60.2 | 177.7 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 450 | T | 31.8 | Very low | 28.4 | Very low | 145 Ų | 145 | 125.2 Ų | 125.2 | 89% | 0.89 | 75% | 0.748 | S | S | * | * | trans | -143.1 | 131.1 | 143.8 | 36.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 451 | T | 26 | Very low | 28.5 | Very low | 128 Ų | 128 | 127.5 Ų | 127.5 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | trans | -91.6 | -168.9 | 170.3 | 53.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 452 | P | 32.8 | Very low | 28.5 | Very low | 100 Ų | 100 | 124.9 Ų | 124.9 | 65% | 0.649 | 74% | 0.744 | S | S | * | * | cis | -148.1 | -163.8 | 8.7 | 45.4 | -23.8 | 0 | 0 | 0 | 117.6 | ||||
| 453 | Q | 30.3 | Very low | 28.5 | Very low | 184 Ų | 184 | 129.6 Ų | 129.6 | 86% | 0.86 | 75% | 0.753 | S | S | * | * | trans | 87.4 | 118 | 151.8 | -76 | 168.5 | 24.6 | 0 | 0 | 121.3 | ||||
| 454 | T | 28.3 | Very low | 28.9 | Very low | 134 Ų | 134 | 127.6 Ų | 127.6 | 82% | 0.822 | 75% | 0.748 | S | S | * | * | trans | -85.6 | 163.9 | 160 | 55.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 455 | P | 31.9 | Very low | 29 | Very low | 115 Ų | 115 | 128 Ų | 128 | 75% | 0.747 | 75% | 0.747 | S | S | * | * | -156.5 | -175.4 | 92.5 | 41.2 | -21.7 | 0 | 0 | 0 | 117.3 | |||||
| 456 | S | 29.9 | Very low | 29.2 | Very low | 112 Ų | 112 | 123.6 Ų | 123.6 | 78% | 0.783 | 72% | 0.72 | S | S | * | * | trans | 81.5 | 105.2 | 155.9 | 60.8 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 457 | T | 27.2 | Very low | 29.1 | Very low | 130 Ų | 130 | 122.2 Ų | 122.2 | 80% | 0.798 | 70% | 0.697 | S | S | * | * | trans | -73.6 | -179.1 | 142.7 | 47.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 458 | P | 32.3 | Very low | 28.9 | Very low | 111 Ų | 111 | 120.1 Ų | 120.1 | 72% | 0.721 | 68% | 0.684 | S | S | * | * | cis | -128.2 | -151.3 | 13.6 | 25.3 | 3.9 | 0 | 0 | 0 | 112.5 | ||||
| 459 | Q | 28.1 | Very low | 29.1 | Very low | 154 Ų | 154 | 118.4 Ų | 118.4 | 72% | 0.72 | 68% | 0.675 | S | S | * | * | cis | -154.8 | 151.9 | 23.7 | -72.4 | -174.1 | 12.6 | 0 | 0 | 115.5 | ||||
| 460 | I | 25.8 | Very low | 29.1 | Very low | 131 Ų | 131 | 119.9 Ų | 119.9 | 67% | 0.672 | 68% | 0.684 | S | S | * | * | trans | 40.3 | 115.9 | 132 | -52 | 168.1 | 0 | 0 | 0 | 120 | ||||
| 461 | N | 28.8 | Very low | 28.9 | Very low | 141 Ų | 141 | 122.5 Ų | 122.5 | 75% | 0.754 | 69% | 0.686 | S | S | * | * | -165.9 | 103.8 | 106 | -127.5 | -6.3 | 0 | 0 | 0 | 117.1 | |||||
| 462 | I | 30.4 | Very low | 28.8 | Very low | 129 Ų | 129 | 120.9 Ų | 120.9 | 66% | 0.662 | 69% | 0.686 | S | S | * | * | 45.8 | 105.8 | 127.5 | -58.8 | -178 | 0 | 0 | 0 | 122 | |||||
| 463 | K | 26.9 | Very low | 28.5 | Very low | 190 Ų | 190 | 123 Ų | 123 | 83% | 0.826 | 70% | 0.696 | S | S | * | * | 60.3 | 165.3 | 127.4 | -65.8 | -170.4 | 177.6 | -175.4 | 0 | 122.6 | |||||
| 464 | P | 35 | Very low | 28.4 | Very low | 104 Ų | 104 | 121.7 Ų | 121.7 | 68% | 0.675 | 69% | 0.694 | S | S | * | * | cis | -145.5 | -178.6 | -45.8 | 44.3 | -26.9 | 0 | 0 | 0 | 115.9 | ||||
| 465 | S | 27.5 | Very low | 28.4 | Very low | 91 Ų | 91 | 120.9 Ų | 120.9 | 64% | 0.636 | 69% | 0.691 | S | S | * | * | trans | 40.9 | 150.5 | 140.7 | -57.9 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 466 | Y | 28 | Very low | 28.1 | Very low | 61 Ų | 61 | 122.9 Ų | 122.9 | 24% | 0.239 | 69% | 0.693 | C | S | . | * | cis | -171.3 | 133.6 | -27.6 | -114 | -44.6 | 0 | 0 | 0 | 115.7 | Q1393 E1394 K1477 M1478 | Y466-Q1393 CarbonylContact O-C 3.6Å; Y466-Q1393 WeakPolarHBondContact O-CB 3.39Å; Y466-E1394 WeakPolarHBondContact O-CA 3.48Å; Y466-E1394 WeakPolarHBondContact O-CB 3.41Å; Y466-E1394 PolarHBondContact O-N 3.19Å; Y466-K1477 HydrophobicContact CE1-CB 3.98Å; Y466-K1477 HydrophobicContact CE1-CD 3.76Å; Y466-K1477 HydrophobicContact CE1-CG 4.49Å; Y466-K1477 HydrophobicContact CE2-CB 3.76Å; Y466-K1477 VanDerWaalsContact CZ-CB 3.45Å; Y466-K1477 WeakPolarHBondContact OH-CB 3.26Å; Y466-M1478 HydrophobicContact CE2-CB 4.47Å; Y466-M1478 HydrophobicContact CE2-CG 3.95Å; Y466-M1478 WeakPolarHBondContact OH-CE 3.35Å; Y466-M1478 VanDerWaalsContact OH-CG 3.22Å; Y466-M1478 WeakPolarHBondContact OH-CG 3.49Å | ||
| 467 | L | 26.3 | Very low | 27.9 | Very low | 39 Ų | 39 | 124.5 Ų | 124.5 | 20% | 0.204 | 69% | 0.686 | C | S | . | * | trans | 80.9 | -170 | 143.9 | -86 | 158.8 | 0 | 0 | 0 | 121.6 | Q1393 E1394 K1475 Q1476 | L467-Q1393 VanDerWaalsContact N-OE1 3.11Å; L467-E1394 HydrophobicContact CB-CB 3.4Å; L467-E1394 HydrophobicContact CB-CG 4.37Å; L467-E1394 VanDerWaalsContact CB-OE1 3.32Å; L467-E1394 WeakPolarHBondContact CB-OE1 3.33Å; L467-K1475 HydrophobicContact CD1-CB 3.95Å; L467-K1475 HydrophobicContact CD1-CG 4.03Å; L467-Q1476 WeakPolarHBondContact CD1-O 3.33Å | ||
| 468 | Q | 26 | Very low | 27.9 | Very low | 98 Ų | 98 | 123.4 Ų | 123.4 | 46% | 0.458 | 68% | 0.681 | S | S | . | * | trans | -102.7 | -144.8 | -152.7 | -27.3 | 166.2 | -48 | 0 | 0 | 115.6 | E1394 H1474 | Q468-E1394 VanDerWaalsContact C-OE2 3.31Å; Q468-E1394 WeakPolarHBondContact CA-OE1 3.49Å; Q468-E1394 WeakPolarHBondContact CB-OE1 3.43Å; Q468-E1394 PolarHBondContact N-OE1 2.81Å; Q468-E1394 WeakPolarHBondContact O-CG 3.45Å; Q468-H1474 VanDerWaalsContact CD-CD2 3.43Å; Q468-H1474 PolarHBondContact NE2-CD2 3.21Å; Q468-H1474 PolarHBondContact NE2-NE2 3.47Å; Q468-H1474 PolarHBondContact OE1-CD2 2.99Å | ||
| 469 | P | 34.3 | Very low | 27.5 | Very low | 90 Ų | 90 | 124.9 Ų | 124.9 | 58% | 0.584 | 68% | 0.683 | S | S | * | * | cis | -130.8 | 175.6 | -5.5 | 45.4 | -27 | 0 | 0 | 0 | 117.1 | E1394 | P469-E1394 WeakPolarHBondContact CB-OE2 3.36Å; P469-E1394 WeakPolarHBondContact CD-OE2 3.5Å; P469-E1394 WeakPolarHBondContact CG-OE2 3.49Å | ||
| 470 | C | 23.5 | Very low | 27.4 | Very low | 130 Ų | 130 | 124.6 Ų | 124.6 | 88% | 0.878 | 69% | 0.686 | S | S | * | * | trans | -50.1 | 127.1 | -173.6 | -50.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 471 | Q | 27.1 | Very low | 27.3 | Very low | 201 Ų | 201 | 124.9 Ų | 124.9 | 94% | 0.939 | 69% | 0.686 | S | S | * | * | trans | -150.4 | 161.1 | 131.8 | -129.8 | 170.9 | -8.5 | 0 | 0 | 109.3 | ||||
| 472 | A | 25.5 | Very low | 27.1 | Very low | 93 Ų | 93 | 123.1 Ų | 123.1 | 77% | 0.769 | 68% | 0.684 | S | S | * | * | trans | -114.2 | 138.6 | -175 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 473 | V | 25.7 | Very low | 27.1 | Very low | 145 Ų | 145 | 122.9 Ų | 122.9 | 88% | 0.879 | 69% | 0.691 | S | S | * | * | trans | -174.8 | 152.1 | 150.1 | 144.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 474 | L | 27.6 | Very low | 26.9 | Very low | 156 Ų | 156 | 121.3 Ų | 121.3 | 82% | 0.817 | 69% | 0.691 | S | S | * | * | trans | -90.6 | 163.7 | 177.2 | -65.8 | 165.4 | 0 | 0 | 0 | 111.1 | ||||
| 475 | P | 28.7 | Very low | 26.4 | Very low | 117 Ų | 117 | 124.6 Ų | 124.6 | 76% | 0.76 | 70% | 0.702 | S | S | * | * | -144.7 | 144 | 99.4 | 35.6 | -20.1 | 0 | 0 | 0 | 116.6 | |||||
| 476 | M | 24.5 | Very low | 26.2 | Very low | 158 Ų | 158 | 131 Ų | 131 | 78% | 0.778 | 71% | 0.713 | S | S | * | * | trans | 39.2 | 109.2 | 137.6 | -59 | -174.3 | 76.5 | 0 | 0 | 119.4 | ||||
| 477 | K | 25.9 | Very low | 26.5 | Very low | 145 Ų | 145 | 133 Ų | 133 | 63% | 0.63 | 73% | 0.734 | S | S | * | * | 90.3 | 150.7 | 74.5 | -88.3 | 178.4 | 178.7 | 179 | 0 | 112.6 | M481 | K477-M481 WeakPolarHBondContact CE-SD 3.34Å; K477-M481 PolarHBondContact NZ-SD 3.49Å | |||
| 478 | P | 28.2 | Very low | 26.3 | Very low | 108 Ų | 108 | 136.5 Ų | 136.5 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | cis | -131.1 | 168.2 | 35.5 | 42.5 | -27.4 | 0 | 0 | 0 | 118.7 | ||||
| 479 | N | 24.3 | Very low | 26.2 | Very low | 141 Ų | 141 | 138.3 Ų | 138.3 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | S | Bend | trans | 71.3 | 128.3 | 168.5 | -58.9 | 0 | 0 | 0 | 0 | 117.3 | ||
| 480 | D | 25.4 | Very low | 25.8 | Very low | 149 Ų | 149 | 140.8 Ų | 140.8 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | cis | -116.5 | 165.7 | -0.8 | -75.5 | -44.5 | 0 | 0 | 0 | 112.8 | ||||
| 481 | M | 24.6 | Very low | 26 | Very low | 137 Ų | 137 | 141.2 Ų | 141.2 | 68% | 0.675 | 76% | 0.764 | S | S | * | * | trans | -124.9 | 147.5 | -178.4 | -78.5 | -100.7 | 74.1 | 0 | 0 | 113.1 | K477 | K477-M481 WeakPolarHBondContact CE-SD 3.34Å; K477-M481 PolarHBondContact NZ-SD 3.49Å | ||
| 482 | C | 23.8 | Very low | 26 | Very low | 104 Ų | 104 | 137.8 Ų | 137.8 | 70% | 0.703 | 75% | 0.752 | S | S | * | * | trans | -61.8 | 162.6 | 159 | -130.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 483 | P | 30 | Very low | 26.1 | Very low | 123 Ų | 123 | 139.6 Ų | 139.6 | 80% | 0.799 | 75% | 0.749 | S | S | * | * | -148.6 | 174.2 | 72.6 | 39.7 | -20.9 | 0 | 0 | 0 | 117.3 | |||||
| 484 | L | 23.7 | Very low | 26.1 | Very low | 158 Ų | 158 | 139.7 Ų | 139.7 | 83% | 0.827 | 74% | 0.743 | S | S | * | * | trans | -65.9 | 143 | 165.5 | -62.4 | 161.2 | 0 | 0 | 0 | 111.8 | ||||
| 485 | L | 23.5 | Very low | 26.1 | Very low | 173 Ų | 173 | 137.2 Ų | 137.2 | 91% | 0.906 | 73% | 0.734 | S | S | * | * | trans | -166.7 | -177 | 140.1 | -110.8 | 164.4 | 0 | 0 | 0 | 112.6 | ||||
| 486 | Y | 23.1 | Very low | 26 | Very low | 224 Ų | 224 | 137.5 Ų | 137.5 | 88% | 0.878 | 73% | 0.734 | S | S | * | * | trans | -75.2 | 169 | -169.2 | -103.8 | -119.2 | 0 | 0 | 0 | 114.5 | ||||
| 487 | P | 35 | Very low | 26.3 | Very low | 104 Ų | 104 | 137.1 Ų | 137.1 | 68% | 0.675 | 73% | 0.734 | S | S | * | * | trans | -99.1 | 170.5 | -151.2 | 38.6 | -38.3 | 0 | 0 | 0 | 116.9 | ||||
| 488 | C | 21.9 | Very low | 26.3 | Very low | 112 Ų | 112 | 137.6 Ų | 137.6 | 76% | 0.757 | 74% | 0.743 | S | S | * | * | trans | 73.5 | 142.5 | 173 | -78.5 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 489 | N | 23.5 | Very low | 26.3 | Very low | 136 Ų | 136 | 136.3 Ų | 136.3 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | cis | -158 | 160.5 | 10.9 | -129.9 | -13.4 | 0 | 0 | 0 | 114 | ||||
| 490 | K | 26 | Very low | 26.6 | Very low | 143 Ų | 143 | 134.6 Ų | 134.6 | 62% | 0.622 | 75% | 0.749 | S | S | * | * | trans | 65.7 | 130.4 | 152.9 | -75.6 | 164 | 128.5 | -89.4 | 0 | 120.9 | ||||
| 491 | E | 27.6 | Very low | 26.7 | Very low | 138 Ų | 138 | 134 Ų | 134 | 65% | 0.645 | 75% | 0.745 | S | S | * | * | trans | 68 | 143.8 | 135.7 | -66.2 | 157.7 | -154.2 | 0 | 0 | 118.3 | ||||
| 492 | N | 28 | Very low | 27 | Very low | 129 Ų | 129 | 134 Ų | 134 | 69% | 0.69 | 75% | 0.747 | S | S | * | * | cis | -163.3 | 154.4 | -16.4 | -118.1 | -18.9 | 0 | 0 | 0 | 109 | ||||
| 493 | N | 26.8 | Very low | 27.2 | Very low | 132 Ų | 132 | 136.6 Ų | 136.6 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | trans | 8.4 | 136.5 | 136.1 | -68.2 | -27.3 | 0 | 0 | 0 | 117.5 | ||||
| 494 | I | 27 | Very low | 27.1 | Very low | 147 Ų | 147 | 135.9 Ų | 135.9 | 75% | 0.754 | 74% | 0.738 | S | S | * | * | cis | -179 | 156 | 45.8 | -120.6 | 153.3 | 0 | 0 | 0 | 107.2 | ||||
| 495 | T | 27.4 | Very low | 27.4 | Very low | 103 Ų | 103 | 135.9 Ų | 135.9 | 63% | 0.632 | 73% | 0.731 | S | S | * | * | cis | -166.6 | 169.5 | -26.2 | 34.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 496 | T | 26.3 | Very low | 27.6 | Very low | 123 Ų | 123 | 134.7 Ų | 134.7 | 76% | 0.755 | 72% | 0.724 | S | S | * | * | trans | 69.3 | 153.3 | 153.5 | 44.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 497 | I | 29.8 | Very low | 27.7 | Very low | 151 Ų | 151 | 129.9 Ų | 129.9 | 77% | 0.774 | 71% | 0.713 | S | S | * | * | cis | -142.8 | 164 | 10 | -130.5 | 149.4 | 0 | 0 | 0 | 111.8 | ||||
| 498 | D | 26.4 | Very low | 27.3 | Very low | 154 Ų | 154 | 131.1 Ų | 131.1 | 82% | 0.824 | 71% | 0.713 | S | S | * | * | trans | -70.2 | 159.8 | -176.2 | -47.7 | -96.6 | 0 | 0 | 0 | 115.9 | ||||
| 499 | G | 28.6 | Very low | 27.6 | Very low | 82 Ų | 82 | 133 Ų | 133 | 85% | 0.845 | 71% | 0.713 | S | S | * | * | trans | 177.9 | 110.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 500 | S | 29.1 | Very low | 27.7 | Very low | 105 Ų | 105 | 132.5 Ų | 132.5 | 73% | 0.734 | 71% | 0.71 | S | S | * | * | trans | -100.3 | 163.9 | -175.5 | 58.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 501 | N | 28.9 | Very low | 27.9 | Very low | 135 Ų | 135 | 133.6 Ų | 133.6 | 72% | 0.722 | 72% | 0.723 | S | S | * | * | trans | 97.2 | 120.7 | 151.5 | -74 | -25.1 | 0 | 0 | 0 | 122.5 | ||||
| 502 | I | 29.8 | Very low | 27.9 | Very low | 138 Ų | 138 | 130.7 Ų | 130.7 | 71% | 0.708 | 73% | 0.73 | S | S | * | * | 83.1 | 118.2 | 126.8 | -66.3 | 170.2 | 0 | 0 | 0 | 120 | |||||
| 503 | H | 28.3 | Very low | 28 | Very low | 158 Ų | 158 | 131.9 Ų | 131.9 | 73% | 0.731 | 74% | 0.736 | S | S | * | * | trans | 44 | 126.2 | 148.8 | -77.1 | -52.8 | 0 | 0 | 0 | 120.9 | ||||
| 504 | D | 29.1 | Very low | 28.1 | Very low | 109 Ų | 109 | 134 Ų | 134 | 58% | 0.583 | 74% | 0.739 | S | S | * | * | 58.5 | 132.9 | 82.6 | -82.7 | -33.8 | 0 | 0 | 0 | 114 | |||||
| 505 | K | 30 | Very low | 28.1 | Very low | 158 Ų | 158 | 134.1 Ų | 134.1 | 69% | 0.687 | 74% | 0.741 | S | S | * | * | cis | -167.6 | -175.5 | 3.7 | -138.7 | 169.6 | -161.7 | 86.5 | 0 | 108.3 | ||||
| 506 | I | 27.3 | Very low | 28 | Very low | 147 Ų | 147 | 135.6 Ų | 135.6 | 75% | 0.754 | 75% | 0.745 | S | S | * | * | trans | 71.9 | 139 | 153.6 | -75 | 158.9 | 0 | 0 | 0 | 116.4 | ||||
| 507 | N | 25.4 | Very low | 28 | Very low | 123 Ų | 123 | 137 Ų | 137 | 66% | 0.658 | 75% | 0.748 | S | S | * | * | cis | -178.8 | 157.2 | -25.3 | -130.4 | -6.7 | 0 | 0 | 0 | 108.4 | ||||
| 508 | I | 27 | Very low | 27.9 | Very low | 130 Ų | 130 | 134.2 Ų | 134.2 | 67% | 0.667 | 74% | 0.742 | S | S | * | * | trans | 67.9 | 140.9 | 144.7 | -71.1 | 167.7 | 0 | 0 | 0 | 116.3 | ||||
| 509 | M | 27.8 | Very low | 28 | Very low | 152 Ų | 152 | 132 Ų | 132 | 75% | 0.749 | 73% | 0.734 | S | S | * | * | cis | -156.5 | 157.3 | 21 | -147.9 | 177.7 | -67.8 | 0 | 0 | 112.8 | ||||
| 510 | N | 26 | Very low | 27.9 | Very low | 125 Ų | 125 | 135.1 Ų | 135.1 | 67% | 0.668 | 73% | 0.731 | S | S | * | * | trans | 17.4 | 126.1 | 151 | -56.1 | -5.9 | 0 | 0 | 0 | 122 | ||||
| 511 | N | 29.4 | Very low | 27.8 | Very low | 166 Ų | 166 | 136.9 Ų | 136.9 | 89% | 0.888 | 73% | 0.733 | S | S | * | * | 165.4 | 156.1 | 101.9 | -89.7 | -44.8 | 0 | 0 | 0 | 113.6 | |||||
| 512 | G | 28.3 | Very low | 27.8 | Very low | 77 Ų | 77 | 136 Ų | 136 | 79% | 0.794 | 73% | 0.732 | S | S | * | * | trans | 118 | 122.4 | 140.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 513 | N | 29.3 | Very low | 27.9 | Very low | 154 Ų | 154 | 136.2 Ų | 136.2 | 82% | 0.824 | 73% | 0.733 | S | S | * | * | trans | -44.7 | 146.4 | 173.2 | -77.7 | -44.1 | 0 | 0 | 0 | 117.8 | ||||
| 514 | K | 28.6 | Very low | 27.9 | Very low | 176 Ų | 176 | 133.1 Ų | 133.1 | 77% | 0.765 | 73% | 0.729 | S | S | * | * | trans | 11.3 | 124.3 | 131.8 | -56.5 | 179.2 | 177.4 | -175.1 | 0 | 117.4 | ||||
| 515 | N | 28.3 | Very low | 28 | Very low | 150 Ų | 150 | 133.8 Ų | 133.8 | 80% | 0.802 | 73% | 0.733 | S | S | * | * | -171.5 | 140.2 | 107.2 | -93.8 | -16 | 0 | 0 | 0 | 114.7 | |||||
| 516 | N | 25.1 | Very low | 27.9 | Very low | 134 Ų | 134 | 133.6 Ų | 133.6 | 72% | 0.717 | 73% | 0.734 | S | S | * | * | trans | -31.7 | 165.8 | 167.3 | -49.8 | -0.5 | 0 | 0 | 0 | 119.8 | ||||
| 517 | N | 26 | Very low | 28 | Very low | 153 Ų | 153 | 131 Ų | 131 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | trans | 76.5 | 143 | 157.9 | -61.1 | -4.8 | 0 | 0 | 0 | 116.4 | ||||
| 518 | S | 26.5 | Very low | 28.1 | Very low | 92 Ų | 92 | 132.4 Ų | 132.4 | 64% | 0.643 | 74% | 0.735 | S | S | * | * | cis | -172.6 | 176.5 | -5.2 | 47.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 519 | T | 29.1 | Very low | 27.9 | Very low | 108 Ų | 108 | 130.8 Ų | 130.8 | 66% | 0.663 | 74% | 0.735 | S | S | * | * | trans | 62 | 107.9 | 163.1 | 53.3 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 520 | D | 25.9 | Very low | 27.9 | Very low | 147 Ų | 147 | 132 Ų | 132 | 79% | 0.786 | 74% | 0.739 | S | S | * | * | 76.7 | 140.4 | 81.8 | -56.6 | -32.2 | 0 | 0 | 0 | 111.5 | |||||
| 521 | D | 27.5 | Very low | 27.9 | Very low | 143 Ų | 143 | 133 Ų | 133 | 77% | 0.765 | 75% | 0.745 | S | S | * | * | cis | -161.5 | 174.5 | 30.2 | -156.6 | -10.8 | 0 | 0 | 0 | 111.8 | ||||
| 522 | V | 29.3 | Very low | 27.8 | Very low | 115 Ų | 115 | 132.3 Ų | 132.3 | 70% | 0.697 | 74% | 0.741 | S | S | * | * | trans | 66.5 | 115.1 | 151 | 153 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 523 | I | 31 | Very low | 27.7 | Very low | 144 Ų | 144 | 137.1 Ų | 137.1 | 74% | 0.738 | 74% | 0.74 | S | S | * | * | cis | -154.5 | 140 | 44.5 | -71.5 | -178.9 | 0 | 0 | 0 | 113 | ||||
| 524 | S | 29 | Very low | 27.7 | Very low | 93 Ų | 93 | 140.4 Ų | 140.4 | 65% | 0.65 | 74% | 0.742 | S | S | * | * | trans | 29.2 | 148.8 | 145.6 | 95.6 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 525 | D | 30.5 | Very low | 27.6 | Very low | 122 Ų | 122 | 140.5 Ų | 140.5 | 65% | 0.652 | 75% | 0.745 | S | S | * | * | cis | -168.8 | 160 | -1.2 | -122.7 | -19.5 | 0 | 0 | 0 | 111.4 | ||||
| 526 | Q | 29.4 | Very low | 27.5 | Very low | 154 Ų | 154 | 138.5 Ų | 138.5 | 72% | 0.72 | 74% | 0.735 | S | S | * | * | trans | 26.7 | 143.4 | 136 | -62.7 | 169.3 | 53.7 | 0 | 0 | 121.3 | ||||
| 527 | C | 27.9 | Very low | 27.8 | Very low | 94 Ų | 94 | 138 Ų | 138 | 64% | 0.635 | 73% | 0.732 | S | S | * | * | cis | -169.4 | 154.4 | -1 | -114.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 528 | L | 28 | Very low | 27.8 | Very low | 152 Ų | 152 | 137.9 Ų | 137.9 | 80% | 0.796 | 72% | 0.724 | S | S | * | * | trans | 54.3 | 125.8 | 138 | -63.4 | 166.1 | 0 | 0 | 0 | 122.2 | ||||
| 529 | S | 24 | Very low | 27.9 | Very low | 96 Ų | 96 | 144.4 Ų | 144.4 | 67% | 0.671 | 74% | 0.736 | S | S | * | * | trans | -61.1 | 160.1 | 148.4 | 48 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 530 | E | 27.6 | Very low | 27.8 | Very low | 176 Ų | 176 | 148 Ų | 148 | 82% | 0.822 | 75% | 0.746 | S | S | * | * | -171.9 | 174.8 | 107.5 | -106.2 | 170.5 | -159.4 | 0 | 0 | 113.5 | |||||
| 531 | N | 24.5 | Very low | 28.1 | Very low | 148 Ų | 148 | 146.1 Ų | 146.1 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | trans | -78.5 | 159.9 | -176.5 | -51.9 | -77.3 | 0 | 0 | 0 | 111.6 | ||||
| 532 | D | 28.2 | Very low | 28.1 | Very low | 151 Ų | 151 | 146.4 Ų | 146.4 | 81% | 0.807 | 74% | 0.742 | S | S | * | * | -167.5 | 170.3 | 96.5 | -134.4 | -30.8 | 0 | 0 | 0 | 113.9 | |||||
| 533 | K | 27.3 | Very low | 28.2 | Very low | 178 Ų | 178 | 150.3 Ų | 150.3 | 77% | 0.774 | 75% | 0.745 | S | S | * | * | trans | -84 | 153.1 | 174.7 | -58.8 | 160.6 | -175 | 162.5 | 0 | 110.8 | ||||
| 534 | Y | 28.6 | Very low | 28.4 | Very low | 222 Ų | 222 | 147.4 Ų | 147.4 | 87% | 0.871 | 74% | 0.738 | S | S | * | * | -172.9 | 163.4 | 123 | -109.4 | -72.8 | 0 | 0 | 0 | 112.2 | |||||
| 535 | E | 25.9 | Very low | 28.8 | Very low | 178 Ų | 178 | 150.4 Ų | 150.4 | 83% | 0.832 | 74% | 0.739 | S | S | * | * | trans | -69.5 | 154.8 | 172.6 | -54.8 | 173.2 | 115.2 | 0 | 0 | 110.8 | ||||
| 536 | D | 26.5 | Very low | 29.4 | Very low | 109 Ų | 109 | 148 Ų | 148 | 58% | 0.583 | 73% | 0.73 | S | S | * | * | -178.3 | -174.8 | 72.5 | -172.8 | 9.2 | 0 | 0 | 0 | 109.4 | K538 | D536-K538 IonicContact OD1-NZ 2.79Å; D536-K538 PolarHBondContact OD1-NZ 3.18Å; D536-K538 IonicContact OD2-NZ 3.22Å; D536-K538 PolarHBondContact OD2-NZ 3.46Å | |||
| 537 | N | 30.5 | Very low | 29.9 | Very low | 124 Ų | 124 | 146.3 Ų | 146.3 | 66% | 0.663 | 72% | 0.718 | S | S | * | * | trans | 83.3 | 103 | 173 | -54.4 | -75.8 | 0 | 0 | 0 | 114.6 | ||||
| 538 | K | 26.5 | Very low | 30.7 | Very low | 150 Ų | 150 | 146.7 Ų | 146.7 | 65% | 0.652 | 71% | 0.711 | S | S | * | * | 47.2 | 73.1 | 64.6 | -48.5 | -177.7 | -165.1 | 76 | 0 | 113.6 | D536 | D536-K538 IonicContact OD1-NZ 2.79Å; D536-K538 PolarHBondContact OD1-NZ 3.18Å; D536-K538 IonicContact OD2-NZ 3.22Å; D536-K538 PolarHBondContact OD2-NZ 3.46Å | |||
| 539 | Y | 28.2 | Very low | 31.7 | Very low | 228 Ų | 228 | 142 Ų | 142 | 89% | 0.894 | 69% | 0.69 | S | S | * | * | trans | -170.5 | 88.1 | 142.9 | -96.4 | -60.7 | 0 | 0 | 0 | 111.6 | ||||
| 540 | Q | 27.6 | Very low | 33 | Very low | 183 Ų | 183 | 139.5 Ų | 139.5 | 86% | 0.855 | 67% | 0.669 | S | S | * | * | trans | -92.5 | 127.1 | 156.3 | -76.7 | -155 | -0.8 | 0 | 0 | 109.7 | I542 | Q540-I542 PolarHBondContact O-N 3.38Š| ||
| 541 | P | 31.6 | Very low | 34.2 | Very low | 109 Ų | 109 | 134.8 Ų | 134.8 | 71% | 0.708 | 65% | 0.649 | S | S | * | * | trans | -75.7 | 125.8 | -174 | 28.5 | -33.9 | 0 | 0 | 0 | 112.5 | Y543 | P541-Y543 VanDerWaalsContact C-N 3.28Å; P541-Y543 PolarHBondContact O-N 2.96Å | ||
| 542 | I | 29 | Very low | 35.6 | Very low | 148 Ų | 148 | 134.6 Ų | 134.6 | 76% | 0.759 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | 67.1 | -174.6 | -47.4 | 175.2 | 0 | 0 | 0 | 111.3 | Q540 | Q540-I542 PolarHBondContact O-N 3.38Š|
| 543 | Y | 30.7 | Very low | 36.9 | Very low | 197 Ų | 197 | 131.2 Ų | 131.2 | 77% | 0.773 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.1 | 0.8 | -177.2 | -83.5 | -72.8 | 0 | 0 | 0 | 117.3 | P541 P546 | P541-Y543 VanDerWaalsContact C-N 3.28Å; P541-Y543 PolarHBondContact O-N 2.96Å; Y543-P546 WeakPolarHBondContact O-CD 3.32Å |
| 544 | S | 35.4 | Very low | 38.4 | Very low | 83 Ų | 83 | 124.4 Ų | 124.4 | 58% | 0.58 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -76.5 | -38.1 | 177.2 | 53.3 | 0 | 0 | 0 | 0 | 114.6 | P546 Y547 | S544-P546 VanDerWaalsContact C-N 3.35Å; S544-P546 WeakPolarHBondContact O-CD 3.49Å; S544-P546 VanDerWaalsContact O-N 3.12Å; S544-Y547 PolarHBondContact O-N 3.39Å |
| 545 | K | 37.5 | Very low | 39.9 | Very low | 156 Ų | 156 | 119 Ų | 119 | 68% | 0.678 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -52.8 | -32.8 | -171.1 | -65 | -172 | 175.7 | -175.1 | 0 | 116.4 | Y547 | K545-Y547 VanDerWaalsContact C-N 3.31Å; K545-Y547 PolarHBondContact O-N 3.19Å |
| 546 | P | 42 | Very low | 41.4 | Very low | 72 Ų | 72 | 115.7 Ų | 115.7 | 47% | 0.468 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.1 | -32.5 | 175.3 | -24.2 | 35.7 | 0 | 0 | 0 | 113.9 | Y543 S544 S549 N550 | Y543-P546 WeakPolarHBondContact O-CD 3.32Å; S544-P546 VanDerWaalsContact C-N 3.35Å; S544-P546 WeakPolarHBondContact O-CD 3.49Å; S544-P546 VanDerWaalsContact O-N 3.12Å; P546-S549 PolarHBondContact O-OG 3.45Å; P546-N550 PolarHBondContact O-N 3.45Å; P546-N550 PolarHBondContact O-ND2 3.24Å |
| 547 | Y | 39.7 | Very low | 42.9 | Very low | 119 Ų | 119 | 113 Ų | 113 | 47% | 0.467 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -70.1 | -53.1 | -173.3 | -171.8 | -98.5 | 0 | 0 | 0 | 111.8 | S544 K545 S549 N550 L551 | S544-Y547 PolarHBondContact O-N 3.39Å; K545-Y547 VanDerWaalsContact C-N 3.31Å; K545-Y547 PolarHBondContact O-N 3.19Å; Y547-S549 PolarHBondContact O-N 2.87Å; Y547-N550 PolarHBondContact O-N 3.11Å; Y547-L551 PolarHBondContact O-N 3.2Å |
| 548 | E | 45.9 | Very low | 44.2 | Very low | 102 Ų | 102 | 111.4 Ų | 111.4 | 48% | 0.477 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -54.7 | -40.9 | 174.9 | -64.4 | -175.8 | 98.8 | 0 | 0 | 112.1 | N550 L551 R552 | E548-N550 PolarHBondContact O-N 2.81Å; E548-N550 VanDerWaalsContact O-N 3.14Å; E548-L551 PolarHBondContact O-N 2.71Å; E548-R552 PolarHBondContact O-N 3.35Å |
| 549 | S | 48.7 | Very low | 45.8 | Very low | 52 Ų | 52 | 107.1 Ų | 107.1 | 36% | 0.364 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.3 | -16 | -179.3 | 84.3 | 0 | 0 | 0 | 0 | 114.5 | P546 Y547 R553 | P546-S549 PolarHBondContact O-OG 3.45Å; Y547-S549 PolarHBondContact O-N 2.87Å; S549-R553 WeakPolarHBondContact O-CG 3.45Å; S549-R553 PolarHBondContact O-NH1 2.76Å |
| 550 | N | 50 | Low | 47 | Very low | 45 Ų | 45 | 98.8 Ų | 98.8 | 24% | 0.241 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -103.2 | -30 | 174.8 | -70.3 | -67.9 | 0 | 0 | 0 | 111.9 | P546 Y547 E548 R553 N554 L644 | P546-N550 PolarHBondContact O-N 3.45Å; P546-N550 PolarHBondContact O-ND2 3.24Å; Y547-N550 PolarHBondContact O-N 3.11Å; E548-N550 PolarHBondContact O-N 2.81Å; E548-N550 VanDerWaalsContact O-N 3.14Å; N550-R553 PolarHBondContact O-N 2.8Å; N550-N554 PolarHBondContact O-N 3.12Å; N550-L644 HydrophobicContact CB-CD2 4.21Å |
| 551 | L | 53.4 | Low | 48.6 | Very low | 76 Ų | 76 | 91.8 Ų | 91.8 | 40% | 0.398 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.9 | -50.6 | 171.7 | -167.5 | 65.2 | 0 | 0 | 0 | 111 | Y547 E548 R553 N554 E555 | Y547-L551 PolarHBondContact O-N 3.2Å; E548-L551 PolarHBondContact O-N 2.71Å; L551-R553 VanDerWaalsContact C-N 3.26Å; L551-R553 PolarHBondContact O-N 3.19Å; L551-N554 WeakPolarHBondContact O-CA 3.26Å; L551-N554 WeakPolarHBondContact O-CB 3.36Å; L551-N554 PolarHBondContact O-N 3.49Å; L551-E555 PolarHBondContact O-N 3.39Å |
| 552 | R | 54.8 | Low | 50.1 | Low | 144 Ų | 144 | 92 Ų | 92 | 54% | 0.543 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -59 | -34.3 | 175.2 | -67.1 | -170.6 | -170.1 | -160.3 | 4.7 | 113.1 | E548 E555 Q556 | E548-R552 PolarHBondContact O-N 3.35Å; R552-E555 WeakPolarHBondContact CA-OE2 3.31Å; R552-E555 PolarHBondContact O-N 2.89Å; R552-Q556 WeakPolarHBondContact O-CB 3.41Å; R552-Q556 VanDerWaalsContact O-CG 3.24Å; R552-Q556 WeakPolarHBondContact O-CG 3.19Å; R552-Q556 PolarHBondContact O-N 2.78Å; R552-Q556 PolarHBondContact O-OE1 3.31Å |
| 553 | R | 55.7 | Low | 51.5 | Low | 81 Ų | 81 | 90.7 Ų | 90.7 | 31% | 0.306 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -67.8 | -37.1 | 173.4 | -81.4 | -172.9 | -177.6 | 103.2 | -6.9 | 112.8 | S549 N550 L551 Q556 I557 | S549-R553 WeakPolarHBondContact O-CG 3.45Å; S549-R553 PolarHBondContact O-NH1 2.76Å; N550-R553 PolarHBondContact O-N 2.8Å; L551-R553 VanDerWaalsContact C-N 3.26Å; L551-R553 PolarHBondContact O-N 3.19Å; R553-Q556 PolarHBondContact O-N 3.32Å; R553-I557 WeakPolarHBondContact O-CD1 3.49Å; R553-I557 VanDerWaalsContact O-CG1 3.25Å; R553-I557 WeakPolarHBondContact O-CG1 3.35Å; R553-I557 PolarHBondContact O-N 3.08Å |
| 554 | N | 57.7 | Low | 53 | Low | 35 Ų | 35 | 82.4 Ų | 82.4 | 19% | 0.187 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -65.7 | -43.6 | 175.4 | -169.1 | 31.2 | 0 | 0 | 0 | 110.4 | N550 L551 Q556 I557 Q558 | N550-N554 PolarHBondContact O-N 3.12Å; L551-N554 WeakPolarHBondContact O-CA 3.26Å; L551-N554 WeakPolarHBondContact O-CB 3.36Å; L551-N554 PolarHBondContact O-N 3.49Å; N554-Q556 PolarHBondContact O-N 2.82Å; N554-I557 PolarHBondContact O-N 2.92Å; N554-Q558 WeakPolarHBondContact O-CG 3.46Å; N554-Q558 PolarHBondContact O-N 2.93Å |
| 555 | E | 61.1 | Low | 54.3 | Low | 109 Ų | 109 | 83 Ų | 83 | 51% | 0.509 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -58.9 | -44.7 | 173.2 | -67.2 | 158.4 | -173.3 | 0 | 0 | 112.2 | L551 R552 I557 Q558 S559 | L551-E555 PolarHBondContact O-N 3.39Å; R552-E555 WeakPolarHBondContact CA-OE2 3.31Å; R552-E555 PolarHBondContact O-N 2.89Å; E555-I557 PolarHBondContact O-N 3.04Å; E555-Q558 PolarHBondContact O-N 3.33Å; E555-S559 WeakPolarHBondContact O-CB 3.31Å; E555-S559 PolarHBondContact O-N 3.25Å |
| 556 | Q | 56.1 | Low | 55.4 | Low | 107 Ų | 107 | 81 Ų | 81 | 50% | 0.5 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.1 | -43.2 | 174.2 | -74.8 | 170.7 | -46 | 0 | 0 | 112.3 | R552 R553 N554 S559 A560 | R552-Q556 WeakPolarHBondContact O-CB 3.41Å; R552-Q556 VanDerWaalsContact O-CG 3.24Å; R552-Q556 WeakPolarHBondContact O-CG 3.19Å; R552-Q556 PolarHBondContact O-N 2.78Å; R552-Q556 PolarHBondContact O-OE1 3.31Å; R553-Q556 PolarHBondContact O-N 3.32Å; N554-Q556 PolarHBondContact O-N 2.82Å; Q556-S559 PolarHBondContact O-N 3.15Å; Q556-A560 WeakPolarHBondContact O-CB 3.14Å; Q556-A560 PolarHBondContact O-N 3.05Å |
| 557 | I | 59.5 | Low | 56.5 | Low | 52 Ų | 52 | 80.4 Ų | 80.4 | 27% | 0.267 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.1 | -42.9 | 176.6 | -69.8 | 163.3 | 0 | 0 | 0 | 111.1 | R553 N554 E555 S559 A560 I561 A637 L640 | R553-I557 WeakPolarHBondContact O-CD1 3.49Å; R553-I557 VanDerWaalsContact O-CG1 3.25Å; R553-I557 WeakPolarHBondContact O-CG1 3.35Å; R553-I557 PolarHBondContact O-N 3.08Å; N554-I557 PolarHBondContact O-N 2.92Å; E555-I557 PolarHBondContact O-N 3.04Å; I557-S559 VanDerWaalsContact C-N 3.34Å; I557-S559 PolarHBondContact O-N 2.99Å; I557-A560 PolarHBondContact O-N 2.94Å; I557-I561 HydrophobicContact CG2-CD1 4.02Å; I557-I561 VanDerWaalsContact O-CG1 3.32Å; I557-I561 WeakPolarHBondContact O-CG1 3.23Å; I557-I561 PolarHBondContact O-N 2.86Å; I557-A637 HydrophobicContact CG2-CB 3.67Å; I557-L640 HydrophobicContact CD1-CD2 3.78Å |
| 558 | Q | 57.9 | Low | 57.8 | Low | 91 Ų | 91 | 77.4 Ų | 77.4 | 43% | 0.425 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.5 | -36.5 | 175.4 | -65 | -57.1 | -39.7 | 0 | 0 | 112.2 | N554 E555 I561 K562 | N554-Q558 WeakPolarHBondContact O-CG 3.46Å; N554-Q558 PolarHBondContact O-N 2.93Å; E555-Q558 PolarHBondContact O-N 3.33Å; Q558-I561 PolarHBondContact O-N 3.48Å; Q558-K562 PolarHBondContact O-N 3.29Å |
| 559 | S | 58.5 | Low | 58.7 | Low | 61 Ų | 61 | 76.5 Ų | 76.5 | 43% | 0.427 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.8 | -43.4 | 174 | -169.7 | 0 | 0 | 0 | 0 | 111.8 | E555 Q556 I557 I561 K562 Q563 | E555-S559 WeakPolarHBondContact O-CB 3.31Å; E555-S559 PolarHBondContact O-N 3.25Å; Q556-S559 PolarHBondContact O-N 3.15Å; I557-S559 VanDerWaalsContact C-N 3.34Å; I557-S559 PolarHBondContact O-N 2.99Å; S559-I561 VanDerWaalsContact C-N 3.34Å; S559-I561 PolarHBondContact O-N 2.78Å; S559-K562 PolarHBondContact O-N 3.09Å; S559-Q563 WeakPolarHBondContact O-CG 3.27Å; S559-Q563 PolarHBondContact O-N 2.88Å |
| 560 | A | 53.8 | Low | 59.7 | Low | 52 Ų | 52 | 78.6 Ų | 78.6 | 43% | 0.43 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.2 | -39.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q556 I557 Q563 T564 | Q556-A560 WeakPolarHBondContact O-CB 3.14Å; Q556-A560 PolarHBondContact O-N 3.05Å; I557-A560 PolarHBondContact O-N 2.94Å; A560-Q563 WeakPolarHBondContact O-CB 3.44Å; A560-Q563 PolarHBondContact O-N 3.24Å; A560-T564 PolarHBondContact O-N 3.25Å |
| 561 | I | 61.9 | Low | 60.6 | Low | 36 Ų | 36 | 77.4 Ų | 77.4 | 19% | 0.185 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.7 | -46.6 | 173.6 | -68.2 | 166.5 | 0 | 0 | 0 | 110.8 | I557 Q558 S559 Q563 T564 E634 A637 | I557-I561 HydrophobicContact CG2-CD1 4.02Å; I557-I561 VanDerWaalsContact O-CG1 3.32Å; I557-I561 WeakPolarHBondContact O-CG1 3.23Å; I557-I561 PolarHBondContact O-N 2.86Å; Q558-I561 PolarHBondContact O-N 3.48Å; S559-I561 VanDerWaalsContact C-N 3.34Å; S559-I561 PolarHBondContact O-N 2.78Å; I561-Q563 PolarHBondContact O-N 3.37Å; I561-T564 WeakPolarHBondContact O-CB 3.4Å; I561-T564 PolarHBondContact O-N 3.33Å; I561-T564 PolarHBondContact O-OG1 3.44Å; I561-E634 HydrophobicContact CD1-CG 4.47Å; I561-A637 HydrophobicContact CD1-CB 4.03Å |
| 562 | K | 63.1 | Low | 61.3 | Low | 114 Ų | 114 | 77.1 Ų | 77.1 | 50% | 0.496 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -55 | -39 | 173.2 | -82.4 | -167.7 | 174.7 | -173.7 | 0 | 111.9 | Y9 S12 Q558 S559 T564 K565 | Y9-K562 PolarHBondContact OH-NZ 3.29Å; S12-K562 PolarHBondContact OG-NZ 3.36Å; Q558-K562 PolarHBondContact O-N 3.29Å; S559-K562 PolarHBondContact O-N 3.09Å; K562-T564 PolarHBondContact O-N 2.64Å; K562-K565 PolarHBondContact O-N 2.67Å |
| 563 | Q | 58.4 | Low | 62 | Low | 121 Ų | 121 | 75.1 Ų | 75.1 | 57% | 0.565 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -66.8 | -19 | 176.2 | -71.1 | 178.4 | 5.4 | 0 | 0 | 114 | S559 A560 I561 | S559-Q563 WeakPolarHBondContact O-CG 3.27Å; S559-Q563 PolarHBondContact O-N 2.88Å; A560-Q563 WeakPolarHBondContact O-CB 3.44Å; A560-Q563 PolarHBondContact O-N 3.24Å; I561-Q563 PolarHBondContact O-N 3.37Å |
| 564 | T | 62.7 | Low | 62.7 | Low | 22 Ų | 22 | 76.8 Ų | 76.8 | 14% | 0.135 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -68.8 | -35.5 | 178 | 64.5 | 0 | 0 | 0 | 0 | 113.6 | A560 I561 K562 L566 V567 E568 F626 | A560-T564 PolarHBondContact O-N 3.25Å; I561-T564 WeakPolarHBondContact O-CB 3.4Å; I561-T564 PolarHBondContact O-N 3.33Å; I561-T564 PolarHBondContact O-OG1 3.44Å; K562-T564 PolarHBondContact O-N 2.64Å; T564-L566 VanDerWaalsContact C-N 3.33Å; T564-L566 PolarHBondContact O-N 3.11Å; T564-V567 PolarHBondContact O-N 3.46Å; T564-E568 PolarHBondContact O-N 2.8Å; T564-F626 HydrophobicContact CG2-CE1 4.42Å; T564-F626 HydrophobicContact CG2-CZ 3.84Å |
| 565 | K | 61.6 | Low | 63.3 | Low | 97 Ų | 97 | 76.3 Ų | 76.3 | 42% | 0.422 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -54.1 | -48.1 | 176.6 | -173.3 | 178.5 | 173.3 | -177.1 | 0 | 111 | E14 K562 V567 E568 D569 | E14-K565 IonicContact OE1-NZ 3.83Å; E14-K565 PolarHBondContact OE1-NZ 2.94Å; E14-K565 IonicContact OE2-NZ 3.73Å; E14-K565 PolarHBondContact OE2-NZ 3.02Å; K562-K565 PolarHBondContact O-N 2.67Å; K565-V567 VanDerWaalsContact C-N 3.27Å; K565-V567 PolarHBondContact O-N 2.84Å; K565-E568 WeakPolarHBondContact O-CB 3.44Å; K565-E568 PolarHBondContact O-N 3.37Å; K565-E568 VanDerWaalsContact O-N 3.16Å; K565-D569 VanDerWaalsContact O-CG 3.3Å; K565-D569 PolarHBondContact O-N 3.48Å |
| 566 | L | 61.1 | Low | 63.7 | Low | 113 Ų | 113 | 75.5 Ų | 75.5 | 59% | 0.592 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -59.9 | -31.3 | 177 | -76 | 163.3 | 0 | 0 | 0 | 114.1 | T564 F570 | T564-L566 VanDerWaalsContact C-N 3.33Å; T564-L566 PolarHBondContact O-N 3.11Å; L566-F570 WeakPolarHBondContact O-CB 3.35Å; L566-F570 PolarHBondContact O-N 3.37Å; L566-F570 VanDerWaalsContact O-N 3.12Å |
| 567 | V | 66 | Low | 64.2 | Low | 59 Ų | 59 | 72.5 Ų | 72.5 | 36% | 0.358 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -79 | -36.8 | 178 | 178.7 | 0 | 0 | 0 | 0 | 111.1 | T564 K565 F570 I571 F626 | T564-V567 PolarHBondContact O-N 3.46Å; K565-V567 VanDerWaalsContact C-N 3.27Å; K565-V567 PolarHBondContact O-N 2.84Å; V567-F570 PolarHBondContact O-N 2.78Å; V567-I571 HydrophobicContact CG1-CD1 4.01Å; V567-I571 WeakPolarHBondContact O-CB 3.43Å; V567-I571 VanDerWaalsContact O-CG1 3.25Å; V567-I571 WeakPolarHBondContact O-CG1 3.38Å; V567-I571 PolarHBondContact O-N 3.15Å; V567-F626 HydrophobicContact CB-CE1 4.05Å; V567-F626 HydrophobicContact CB-CE2 3.96Å; V567-F626 HydrophobicContact CB-CZ 3.55Å; V567-F626 HydrophobicContact CG1-CD1 4.44Å; V567-F626 HydrophobicContact CG1-CD2 3.98Å; V567-F626 HydrophobicContact CG1-CE1 4.09Å; V567-F626 HydrophobicContact CG1-CE2 3.6Å; V567-F626 HydrophobicContact CG1-CG 4.39Å; V567-F626 HydrophobicContact CG1-CZ 3.66Å; V567-F626 HydrophobicContact CG2-CE2 4.38Å; V567-F626 HydrophobicContact CG2-CZ 4.2Å |
| 568 | E | 65.2 | Low | 64.6 | Low | 56 Ų | 56 | 70 Ų | 70 | 26% | 0.262 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.4 | -48.4 | 169.8 | -86.6 | 151.6 | -133.6 | 0 | 0 | 111.7 | T564 K565 F570 I571 S572 F626 K630 | T564-E568 PolarHBondContact O-N 2.8Å; K565-E568 WeakPolarHBondContact O-CB 3.44Å; K565-E568 PolarHBondContact O-N 3.37Å; K565-E568 VanDerWaalsContact O-N 3.16Å; E568-F570 PolarHBondContact O-N 3.38Å; E568-I571 PolarHBondContact O-N 2.91Å; E568-S572 WeakPolarHBondContact O-CB 3.48Å; E568-S572 PolarHBondContact O-N 2.79Å; E568-F626 HydrophobicContact CG-CD1 4.22Å; E568-F626 HydrophobicContact CG-CE1 4.06Å; E568-F626 WeakPolarHBondContact OE1-CE1 3.34Å; E568-K630 WeakPolarHBondContact OE1-CD 3.41Å; E568-K630 WeakPolarHBondContact OE1-CE 3.45Å; E568-K630 IonicContact OE1-NZ 3.19Å; E568-K630 PolarHBondContact OE1-NZ 3.48Å; E568-K630 IonicContact OE2-NZ 2.67Å; E568-K630 PolarHBondContact OE2-NZ 2.6Å |
| 569 | D | 66.3 | Low | 65 | Low | 84 Ų | 84 | 69.4 Ų | 69.4 | 45% | 0.449 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.1 | -45.5 | 177.4 | -65.3 | -35 | 0 | 0 | 0 | 111.3 | K565 I571 S572 V573 | K565-D569 VanDerWaalsContact O-CG 3.3Å; K565-D569 PolarHBondContact O-N 3.48Å; D569-I571 PolarHBondContact O-N 2.61Å; D569-S572 WeakPolarHBondContact O-CB 3.27Å; D569-S572 PolarHBondContact O-N 3.4Å; D569-V573 WeakPolarHBondContact O-CG2 3.39Å; D569-V573 PolarHBondContact O-N 3.15Å |
| 570 | F | 68 | Low | 65.5 | Low | 96 Ų | 96 | 70.6 Ų | 70.6 | 42% | 0.421 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.1 | -39.8 | 176.8 | 179.8 | -96.9 | 0 | 0 | 0 | 113.2 | V95 L566 V567 E568 R574 | V95-F570 HydrophobicContact CB-CE2 4.47Å; V95-F570 HydrophobicContact CG2-CE2 3.85Å; V95-F570 HydrophobicContact CG2-CZ 4.32Å; L566-F570 WeakPolarHBondContact O-CB 3.35Å; L566-F570 PolarHBondContact O-N 3.37Å; L566-F570 VanDerWaalsContact O-N 3.12Å; V567-F570 PolarHBondContact O-N 2.78Å; E568-F570 PolarHBondContact O-N 3.38Å; F570-R574 HydrophobicContact CE1-CG 4.49Å; F570-R574 HydrophobicContact CZ-CG 4.42Å; F570-R574 PolarHBondContact O-N 3.46Å; F570-R574 VanDerWaalsContact O-N 3.1Å |
| 571 | I | 69.5 | Low | 66.2 | Low | 19 Ų | 19 | 72.8 Ų | 72.8 | 10% | 0.097 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65.2 | -44.1 | 175 | -72.2 | 168.2 | 0 | 0 | 0 | 110.1 | V567 E568 D569 R574 Q575 R623 | V567-I571 HydrophobicContact CG1-CD1 4.01Å; V567-I571 WeakPolarHBondContact O-CB 3.43Å; V567-I571 VanDerWaalsContact O-CG1 3.25Å; V567-I571 WeakPolarHBondContact O-CG1 3.38Å; V567-I571 PolarHBondContact O-N 3.15Å; E568-I571 PolarHBondContact O-N 2.91Å; D569-I571 PolarHBondContact O-N 2.61Å; I571-R574 PolarHBondContact O-N 3.29Å; I571-Q575 HydrophobicContact CG2-CG 4.43Å; I571-Q575 WeakPolarHBondContact O-CG 3.24Å; I571-Q575 PolarHBondContact O-N 2.86Å; I571-R623 HydrophobicContact CG2-CB 4.02Å; I571-R623 HydrophobicContact CG2-CG 4.25Å |
| 572 | S | 67.8 | Low | 66.3 | Low | 71 Ų | 71 | 72.2 Ų | 72.2 | 50% | 0.497 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.6 | -51 | 178.4 | -172.9 | 0 | 0 | 0 | 0 | 111.8 | E568 D569 R574 Q575 Q576 | E568-S572 WeakPolarHBondContact O-CB 3.48Å; E568-S572 PolarHBondContact O-N 2.79Å; D569-S572 WeakPolarHBondContact O-CB 3.27Å; D569-S572 PolarHBondContact O-N 3.4Å; S572-R574 VanDerWaalsContact C-N 3.32Å; S572-R574 PolarHBondContact O-N 2.82Å; S572-Q575 PolarHBondContact O-N 3.48Å; S572-Q575 VanDerWaalsContact O-N 3.14Å; S572-Q576 PolarHBondContact O-N 3.36Å |
| 573 | V | 71.1 | Confident | 66.4 | Low | 102 Ų | 102 | 74.5 Ų | 74.5 | 62% | 0.618 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -59.4 | -41.2 | 176.7 | 172 | 0 | 0 | 0 | 0 | 111.5 | D569 Q576 A577 | D569-V573 WeakPolarHBondContact O-CG2 3.39Å; D569-V573 PolarHBondContact O-N 3.15Å; V573-Q576 PolarHBondContact O-N 3.45Å; V573-A577 WeakPolarHBondContact O-CB 3.27Å; V573-A577 PolarHBondContact O-N 2.83Å |
| 574 | R | 70.4 | Confident | 66.6 | Low | 115 Ų | 115 | 70.4 Ų | 70.4 | 43% | 0.434 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67.2 | -38.8 | 174.8 | -91.8 | -168 | 168.7 | -113 | -1 | 113.4 | F570 I571 S572 A578 L619 | F570-R574 HydrophobicContact CE1-CG 4.49Å; F570-R574 HydrophobicContact CZ-CG 4.42Å; F570-R574 PolarHBondContact O-N 3.46Å; F570-R574 VanDerWaalsContact O-N 3.1Å; I571-R574 PolarHBondContact O-N 3.29Å; S572-R574 VanDerWaalsContact C-N 3.32Å; S572-R574 PolarHBondContact O-N 2.82Å; R574-A578 WeakPolarHBondContact O-CB 3Å; R574-A578 PolarHBondContact O-N 2.89Å; R574-L619 HydrophobicContact CB-CD1 4.19Å; R574-L619 HydrophobicContact CB-CD2 4.39Å |
| 575 | Q | 68.5 | Low | 66.5 | Low | 26 Ų | 26 | 69.8 Ų | 69.8 | 12% | 0.121 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62 | -46.9 | 174.1 | -77.3 | -176.6 | -35.3 | 0 | 0 | 110.2 | I571 S572 A577 A578 M579 L619 E620 | I571-Q575 HydrophobicContact CG2-CG 4.43Å; I571-Q575 WeakPolarHBondContact O-CG 3.24Å; I571-Q575 PolarHBondContact O-N 2.86Å; S572-Q575 PolarHBondContact O-N 3.48Å; S572-Q575 VanDerWaalsContact O-N 3.14Å; Q575-A577 PolarHBondContact O-N 2.84Å; Q575-A578 PolarHBondContact O-N 2.79Å; Q575-M579 WeakPolarHBondContact O-CG 3.18Å; Q575-M579 PolarHBondContact O-N 3.49Å; Q575-L619 HydrophobicContact CG-CB 4Å; Q575-L619 HydrophobicContact CG-CD1 4.25Å; Q575-E620 PolarHBondContact NE2-OE2 2.77Å |
| 576 | Q | 70.2 | Confident | 66.4 | Low | 91 Ų | 91 | 66.8 Ų | 66.8 | 43% | 0.425 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.6 | -44.9 | 177.4 | -170.4 | 59.8 | 53.5 | 0 | 0 | 112.3 | S572 V573 A578 M579 N580 | S572-Q576 PolarHBondContact O-N 3.36Å; V573-Q576 PolarHBondContact O-N 3.45Å; Q576-A578 VanDerWaalsContact C-N 3.33Å; Q576-A578 PolarHBondContact O-N 2.84Å; Q576-M579 PolarHBondContact O-N 3.3Å; Q576-N580 PolarHBondContact NE2-OD1 3.5Å; Q576-N580 WeakPolarHBondContact O-CB 3.33Å; Q576-N580 VanDerWaalsContact O-CG 3.29Å; Q576-N580 PolarHBondContact O-N 3.3Å; Q576-N580 PolarHBondContact O-OD1 2.78Å |
| 577 | A | 66.8 | Low | 66.2 | Low | 44 Ų | 44 | 68.2 Ų | 68.2 | 36% | 0.364 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.7 | -35.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | V573 Q575 R581 | V573-A577 WeakPolarHBondContact O-CB 3.27Å; V573-A577 PolarHBondContact O-N 2.83Å; Q575-A577 PolarHBondContact O-N 2.84Å; A577-R581 WeakPolarHBondContact O-CG 3.26Å; A577-R581 PolarHBondContact O-N 2.69Å; A577-R581 VanDerWaalsContact O-N 3.14Å; A577-R581 PolarHBondContact O-NE 2.9Å |
| 578 | A | 67.4 | Low | 65.7 | Low | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -73.4 | -36.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | R574 Q575 Q576 A582 L616 | R574-A578 WeakPolarHBondContact O-CB 3Å; R574-A578 PolarHBondContact O-N 2.89Å; Q575-A578 PolarHBondContact O-N 2.79Å; Q576-A578 VanDerWaalsContact C-N 3.33Å; Q576-A578 PolarHBondContact O-N 2.84Å; A578-A582 WeakPolarHBondContact O-CB 3.42Å; A578-A582 PolarHBondContact O-N 3.31Å; A578-L616 HydrophobicContact CB-CD2 3.65Å; A578-L616 HydrophobicContact CB-CG 3.91Å |
| 579 | M | 66.9 | Low | 65.2 | Low | 79 Ų | 79 | 69.7 Ų | 69.7 | 39% | 0.389 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.4 | -41.3 | 171.8 | -71.5 | -170.6 | -166.8 | 0 | 0 | 112 | Q575 Q576 A582 R583 L616 | Q575-M579 WeakPolarHBondContact O-CG 3.18Å; Q575-M579 PolarHBondContact O-N 3.49Å; Q576-M579 PolarHBondContact O-N 3.3Å; M579-A582 PolarHBondContact O-N 3.29Å; M579-R583 WeakPolarHBondContact O-CB 3.41Å; M579-R583 WeakPolarHBondContact O-CG 3.2Å; M579-R583 PolarHBondContact O-N 2.8Å; M579-L616 HydrophobicContact CE-CD2 4.46Å; M579-L616 HydrophobicContact CG-CD1 4.19Å; M579-L616 HydrophobicContact CG-CD2 3.81Å |
| 580 | N | 68.4 | Low | 64.7 | Low | 85 Ų | 85 | 67.2 Ų | 67.2 | 46% | 0.455 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.3 | -45.9 | 176.9 | -71.8 | 0.9 | 0 | 0 | 0 | 111.2 | Q576 A582 R583 G584 | Q576-N580 PolarHBondContact NE2-OD1 3.5Å; Q576-N580 WeakPolarHBondContact O-CB 3.33Å; Q576-N580 VanDerWaalsContact O-CG 3.29Å; Q576-N580 PolarHBondContact O-N 3.3Å; Q576-N580 PolarHBondContact O-OD1 2.78Å; N580-A582 VanDerWaalsContact C-N 3.35Å; N580-A582 PolarHBondContact O-N 3.11Å; N580-R583 PolarHBondContact O-N 2.88Å; N580-G584 PolarHBondContact O-N 2.84Å |
| 581 | R | 69 | Low | 64.1 | Low | 98 Ų | 98 | 66.3 Ų | 66.3 | 37% | 0.37 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -57.7 | -43.9 | 173.1 | -76.1 | -178.9 | -77.9 | 130.6 | -12.1 | 112.6 | A577 G584 A585 H612 E615 | A577-R581 WeakPolarHBondContact O-CG 3.26Å; A577-R581 PolarHBondContact O-N 2.69Å; A577-R581 VanDerWaalsContact O-N 3.14Å; A577-R581 PolarHBondContact O-NE 2.9Å; R581-G584 PolarHBondContact O-N 3.43Å; R581-A585 PolarHBondContact O-N 3.24Å; R581-A585 VanDerWaalsContact O-N 3.11Å; R581-H612 PolarHBondContact NH1-CE1 3.49Å; R581-H612 PolarHBondContact NH1-ND1 3.01Å; R581-E615 IonicContact CZ-OE1 3.71Å; R581-E615 IonicContact CZ-OE2 3.28Å; R581-E615 IonicContact NH1-OE1 2.7Å; R581-E615 IonicContact NH1-OE2 2.99Å; R581-E615 PolarHBondContact NH1-OE2 3.12Å; R581-E615 IonicContact NH2-OE1 3.84Å; R581-E615 PolarHBondContact NH2-OE1 3.44Å; R581-E615 IonicContact NH2-OE2 2.73Å; R581-E615 PolarHBondContact NH2-OE2 3.46Å |
| 582 | A | 63.3 | Low | 63.2 | Low | 24 Ų | 24 | 67.3 Ų | 67.3 | 20% | 0.198 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.7 | -37.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A578 M579 N580 G586 H612 | A578-A582 WeakPolarHBondContact O-CB 3.42Å; A578-A582 PolarHBondContact O-N 3.31Å; M579-A582 PolarHBondContact O-N 3.29Å; N580-A582 VanDerWaalsContact C-N 3.35Å; N580-A582 PolarHBondContact O-N 3.11Å; A582-G586 PolarHBondContact O-N 2.84Å; A582-H612 HydrophobicContact CB-CB 4.35Å |
| 583 | R | 65.9 | Low | 62.5 | Low | 162 Ų | 162 | 69.2 Ų | 69.2 | 61% | 0.611 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -66.9 | -42.5 | 174.9 | -76.1 | 173.7 | 177.4 | 173 | -1 | 112.4 | M579 N580 G586 H587 | M579-R583 WeakPolarHBondContact O-CB 3.41Å; M579-R583 WeakPolarHBondContact O-CG 3.2Å; M579-R583 PolarHBondContact O-N 2.8Å; N580-R583 PolarHBondContact O-N 2.88Å; R583-G586 PolarHBondContact O-N 2.89Å; R583-H587 PolarHBondContact O-N 3.48Å |
| 584 | G | 63.4 | Low | 61.8 | Low | 35 Ų | 35 | 71.3 Ų | 71.3 | 36% | 0.361 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61 | -50.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | N580 R581 G586 H587 I588 | N580-G584 PolarHBondContact O-N 2.84Å; R581-G584 PolarHBondContact O-N 3.43Å; G584-G586 VanDerWaalsContact C-N 3.28Å; G584-G586 PolarHBondContact O-N 3.13Å; G584-H587 WeakPolarHBondContact O-CB 3.21Å; G584-H587 PolarHBondContact O-N 3.28Å; G584-H587 VanDerWaalsContact O-N 3.14Å; G584-I588 WeakPolarHBondContact O-CG1 3.38Å; G584-I588 PolarHBondContact O-N 3.38Å |
| 585 | A | 60.7 | Low | 60.8 | Low | 9 Ų | 9 | 72.3 Ų | 72.3 | 7% | 0.074 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61.4 | -35.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | R581 I588 M589 I609 | R581-A585 PolarHBondContact O-N 3.24Å; R581-A585 VanDerWaalsContact O-N 3.11Å; A585-I588 PolarHBondContact O-N 3.47Å; A585-M589 PolarHBondContact O-N 3.35Å; A585-M589 VanDerWaalsContact O-N 3.07Å; A585-I609 HydrophobicContact CB-CD1 3.94Å; A585-I609 HydrophobicContact CB-CG1 3.55Å |
| 586 | G | 57.8 | Low | 59.5 | Low | 34 Ų | 34 | 74.3 Ų | 74.3 | 35% | 0.351 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.3 | -40.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | A582 R583 G584 M589 G590 | A582-G586 PolarHBondContact O-N 2.84Å; R583-G586 PolarHBondContact O-N 2.89Å; G584-G586 VanDerWaalsContact C-N 3.28Å; G584-G586 PolarHBondContact O-N 3.13Å; G586-M589 PolarHBondContact O-N 3.29Å; G586-G590 PolarHBondContact O-N 3.09Å |
| 587 | H | 57.4 | Low | 58.1 | Low | 143 Ų | 143 | 72.5 Ų | 72.5 | 66% | 0.662 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -63.1 | -42.7 | 172.4 | -102.4 | 70.7 | 0 | 0 | 0 | 111.8 | R583 G584 M589 G590 V591 | R583-H587 PolarHBondContact O-N 3.48Å; G584-H587 WeakPolarHBondContact O-CB 3.21Å; G584-H587 PolarHBondContact O-N 3.28Å; G584-H587 VanDerWaalsContact O-N 3.14Å; H587-M589 PolarHBondContact O-N 3.34Å; H587-G590 PolarHBondContact O-N 3.49Å; H587-V591 WeakPolarHBondContact O-CG2 3.48Å; H587-V591 PolarHBondContact O-N 3.27Å |
| 588 | I | 56.4 | Low | 57 | Low | 100 Ų | 100 | 74.1 Ų | 74.1 | 51% | 0.513 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61.1 | -43 | 178.3 | -67.6 | 165.3 | 0 | 0 | 0 | 111 | G584 A585 A592 E605 | G584-I588 WeakPolarHBondContact O-CG1 3.38Å; G584-I588 PolarHBondContact O-N 3.38Å; A585-I588 PolarHBondContact O-N 3.47Å; I588-A592 WeakPolarHBondContact O-CB 3.29Å; I588-A592 PolarHBondContact O-N 2.94Å; I588-E605 HydrophobicContact CG2-CG 4.24Å |
| 589 | M | 54.3 | Low | 56.1 | Low | 46 Ų | 46 | 79 Ų | 79 | 23% | 0.227 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -64.6 | -44.8 | 172.9 | -66.8 | -160.1 | -41 | 0 | 0 | 112.3 | A585 G586 H587 V591 A592 D593 E605 R606 I609 | A585-M589 PolarHBondContact O-N 3.35Å; A585-M589 VanDerWaalsContact O-N 3.07Å; G586-M589 PolarHBondContact O-N 3.29Å; H587-M589 PolarHBondContact O-N 3.34Å; M589-V591 VanDerWaalsContact C-N 3.31Å; M589-V591 PolarHBondContact O-N 3.28Å; M589-A592 PolarHBondContact O-N 2.95Å; M589-A592 VanDerWaalsContact O-N 3.14Å; M589-D593 WeakPolarHBondContact O-CB 3.44Å; M589-D593 PolarHBondContact O-N 3.38Å; M589-E605 HydrophobicContact CG-CB 4.27Å; M589-R606 HydrophobicContact SD-CB 4.31Å; M589-I609 HydrophobicContact CE-CD1 3.5Å; M589-I609 VanDerWaalsContact CE-CD1 3.5Å; M589-I609 HydrophobicContact CG-CD1 3.97Å; M589-I609 HydrophobicContact SD-CD1 3.54Å; M589-I609 VanDerWaalsContact SD-CD1 3.54Å |
| 590 | G | 55.3 | Low | 55 | Low | 33 Ų | 33 | 82.4 Ų | 82.4 | 34% | 0.34 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60 | -39.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | G586 H587 I594 | G586-G590 PolarHBondContact O-N 3.09Å; H587-G590 PolarHBondContact O-N 3.49Å; G590-I594 WeakPolarHBondContact O-CD1 3.37Å; G590-I594 VanDerWaalsContact O-CG1 3.23Å; G590-I594 WeakPolarHBondContact O-CG1 3.48Å; G590-I594 PolarHBondContact O-N 2.9Å |
| 591 | V | 55.3 | Low | 54 | Low | 76 Ų | 76 | 83.4 Ų | 83.4 | 46% | 0.461 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.8 | -40.2 | 174 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | H587 M589 I594 L595 | H587-V591 WeakPolarHBondContact O-CG2 3.48Å; H587-V591 PolarHBondContact O-N 3.27Å; M589-V591 VanDerWaalsContact C-N 3.31Å; M589-V591 PolarHBondContact O-N 3.28Å; V591-I594 PolarHBondContact O-N 3.36Å; V591-L595 HydrophobicContact CG1-CD1 3.67Å; V591-L595 HydrophobicContact CG1-CG 4.29Å; V591-L595 WeakPolarHBondContact O-CB 3.48Å; V591-L595 VanDerWaalsContact O-CG 3.31Å; V591-L595 WeakPolarHBondContact O-CG 3.39Å; V591-L595 PolarHBondContact O-N 3.44Å |
| 592 | A | 50.7 | Low | 53.3 | Low | 41 Ų | 41 | 80.7 Ų | 80.7 | 34% | 0.339 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65 | -39.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | I588 M589 I594 L595 G596 G597 | I588-A592 WeakPolarHBondContact O-CB 3.29Å; I588-A592 PolarHBondContact O-N 2.94Å; M589-A592 PolarHBondContact O-N 2.95Å; M589-A592 VanDerWaalsContact O-N 3.14Å; A592-I594 VanDerWaalsContact C-N 3.35Å; A592-L595 PolarHBondContact O-N 2.92Å; A592-G596 PolarHBondContact O-N 3.31Å; A592-G597 PolarHBondContact O-N 3.48Å |
| 593 | D | 53.4 | Low | 52.9 | Low | 111 Ų | 111 | 85.4 Ų | 85.4 | 59% | 0.594 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -69.4 | -31.8 | 176.8 | -69.9 | -15.3 | 0 | 0 | 0 | 111.5 | M589 N602 | M589-D593 WeakPolarHBondContact O-CB 3.44Å; M589-D593 PolarHBondContact O-N 3.38Å; D593-N602 PolarHBondContact OD1-ND2 3.01Å; D593-N602 VanDerWaalsContact OD1-ND2 3.16Å |
| 594 | I | 56.8 | Low | 52.4 | Low | 146 Ų | 146 | 83.2 Ų | 83.2 | 75% | 0.749 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -72.9 | -36.3 | 172.8 | -71.6 | 167 | 0 | 0 | 0 | 112 | G590 V591 A592 G596 | G590-I594 WeakPolarHBondContact O-CD1 3.37Å; G590-I594 VanDerWaalsContact O-CG1 3.23Å; G590-I594 WeakPolarHBondContact O-CG1 3.48Å; G590-I594 PolarHBondContact O-N 2.9Å; V591-I594 PolarHBondContact O-N 3.36Å; A592-I594 VanDerWaalsContact C-N 3.35Å; I594-G596 VanDerWaalsContact C-N 3.34Å; I594-G596 PolarHBondContact O-N 3.16Å |
| 595 | L | 48.4 | Very low | 52.1 | Low | 135 Ų | 135 | 83.1 Ų | 83.1 | 71% | 0.707 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | 5.5 | -177.5 | -66.7 | 176.7 | 0 | 0 | 0 | 114.4 | V591 A592 G597 | V591-L595 HydrophobicContact CG1-CD1 3.67Å; V591-L595 HydrophobicContact CG1-CG 4.29Å; V591-L595 WeakPolarHBondContact O-CB 3.48Å; V591-L595 VanDerWaalsContact O-CG 3.31Å; V591-L595 WeakPolarHBondContact O-CG 3.39Å; V591-L595 PolarHBondContact O-N 3.44Å; A592-L595 PolarHBondContact O-N 2.92Å; L595-G597 VanDerWaalsContact C-N 3.32Å; L595-G597 PolarHBondContact O-N 2.96Å |
| 596 | G | 42.1 | Very low | 52.1 | Low | 69 Ų | 69 | 89.9 Ų | 89.9 | 71% | 0.711 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.8 | 25.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | A592 I594 | A592-G596 PolarHBondContact O-N 3.31Å; I594-G596 VanDerWaalsContact C-N 3.34Å; I594-G596 PolarHBondContact O-N 3.16Å |
| 597 | G | 40.2 | Very low | 52.6 | Low | 53 Ų | 53 | 90 Ų | 90 | 55% | 0.546 | 52% | 0.521 | S | S | . | . | trans | -68.6 | 149.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | A592 L595 | A592-G597 PolarHBondContact O-N 3.48Å; L595-G597 VanDerWaalsContact C-N 3.32Å; L595-G597 PolarHBondContact O-N 2.96Å | ||
| 598 | S | 44.9 | Very low | 52.9 | Low | 78 Ų | 78 | 89.7 Ų | 89.7 | 55% | 0.545 | 51% | 0.514 | S | S | . | . | trans | -54.8 | 136 | -178.1 | 175.8 | 0 | 0 | 0 | 0 | 113.6 | F600 V601 | S598-F600 PolarHBondContact O-N 3.05Å; S598-V601 PolarHBondContact O-N 2.97Å | ||
| 599 | P | 47.2 | Very low | 53.4 | Low | 103 Ų | 103 | 85.9 Ų | 85.9 | 67% | 0.669 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.4 | -10.8 | -173.3 | 26.4 | -36.2 | 0 | 0 | 0 | 114.9 | ||
| 600 | F | 44 | Very low | 54.3 | Low | 150 Ų | 150 | 87.6 Ų | 87.6 | 66% | 0.658 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -72.4 | -24.5 | -179.2 | -108.6 | -90.6 | 0 | 0 | 0 | 114.4 | S598 | S598-F600 PolarHBondContact O-N 3.05Å |
| 601 | V | 47 | Very low | 55 | Low | 105 Ų | 105 | 92.3 Ų | 92.3 | 64% | 0.636 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -78.6 | -35 | 177.6 | -174.6 | 0 | 0 | 0 | 0 | 111.3 | S598 L603 N604 | S598-V601 PolarHBondContact O-N 2.97Å; V601-L603 PolarHBondContact O-N 3.43Å; V601-L603 VanDerWaalsContact O-N 3.12Å; V601-N604 PolarHBondContact O-N 3.27Å |
| 602 | N | 54.1 | Low | 55.9 | Low | 42 Ų | 42 | 90.5 Ų | 90.5 | 23% | 0.225 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -60.6 | -27.6 | -170.9 | -159.5 | -57.8 | 0 | 0 | 0 | 113.1 | D593 N604 R606 | D593-N602 PolarHBondContact OD1-ND2 3.01Å; D593-N602 VanDerWaalsContact OD1-ND2 3.16Å; N602-N604 PolarHBondContact O-N 3.11Å; N602-R606 WeakPolarHBondContact O-CB 3.42Å; N602-R606 PolarHBondContact O-N 3.04Å |
| 603 | L | 56.1 | Low | 56.9 | Low | 122 Ų | 122 | 93.8 Ų | 93.8 | 64% | 0.639 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.2 | -36 | 179.9 | -76.8 | 169.4 | 0 | 0 | 0 | 114.6 | V601 G607 | V601-L603 PolarHBondContact O-N 3.43Å; V601-L603 VanDerWaalsContact O-N 3.12Å; L603-G607 PolarHBondContact O-N 3.06Å |
| 604 | N | 55.6 | Low | 58.1 | Low | 117 Ų | 117 | 97.3 Ų | 97.3 | 63% | 0.626 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -74.2 | -45 | -177.9 | -76.9 | -25.6 | 0 | 0 | 0 | 111.6 | V601 N602 G607 R608 | V601-N604 PolarHBondContact O-N 3.27Å; N602-N604 PolarHBondContact O-N 3.11Å; N604-G607 WeakPolarHBondContact O-CA 3.44Å; N604-G607 PolarHBondContact O-N 3.49Å; N604-G607 VanDerWaalsContact O-N 3.14Å; N604-R608 PolarHBondContact O-N 2.93Å |
| 605 | E | 57.4 | Low | 58.9 | Low | 33 Ų | 33 | 92.7 Ų | 92.7 | 15% | 0.154 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -62.2 | -43 | 174.9 | -115.8 | 44.3 | -120.2 | 0 | 0 | 111.7 | I588 M589 G607 R608 I609 | I588-E605 HydrophobicContact CG2-CG 4.24Å; M589-E605 HydrophobicContact CG-CB 4.27Å; E605-G607 VanDerWaalsContact C-N 3.26Å; E605-G607 PolarHBondContact O-N 3.44Å; E605-R608 VanDerWaalsContact CD-NH1 3.3Å; E605-R608 WeakPolarHBondContact O-CB 3.34Å; E605-R608 PolarHBondContact O-N 3.27Å; E605-R608 VanDerWaalsContact O-N 3.15Å; E605-R608 WeakPolarHBondContact OE1-CD 3.39Å; E605-R608 IonicContact OE1-CZ 3.3Å; E605-R608 IonicContact OE1-NE 3.55Å; E605-R608 IonicContact OE1-NH1 3.55Å; E605-R608 PolarHBondContact OE1-NH1 3.17Å; E605-R608 IonicContact OE2-CZ 3.12Å; E605-R608 IonicContact OE2-NH1 2.68Å; E605-R608 PolarHBondContact OE2-NH1 2.88Å; E605-R608 VanDerWaalsContact OE2-NH1 3.11Å; E605-I609 WeakPolarHBondContact O-CG1 3.5Å; E605-I609 PolarHBondContact O-N 2.68Å |
| 606 | R | 59.6 | Low | 60.1 | Low | 151 Ų | 151 | 88 Ų | 88 | 57% | 0.57 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -62.9 | -32.7 | 173.9 | -166.7 | 169.6 | -174.5 | 155.4 | 0.5 | 112.5 | M589 N602 L610 | M589-R606 HydrophobicContact SD-CB 4.31Å; N602-R606 WeakPolarHBondContact O-CB 3.42Å; N602-R606 PolarHBondContact O-N 3.04Å; R606-L610 WeakPolarHBondContact O-CG 3.32Å; R606-L610 PolarHBondContact O-N 3.37Å; R606-L610 VanDerWaalsContact O-N 3.13Å |
| 607 | G | 68.3 | Low | 61.8 | Low | 37 Ų | 37 | 91.3 Ų | 91.3 | 38% | 0.381 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.8 | -49.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L603 N604 E605 I609 L610 E611 | L603-G607 PolarHBondContact O-N 3.06Å; N604-G607 WeakPolarHBondContact O-CA 3.44Å; N604-G607 PolarHBondContact O-N 3.49Å; N604-G607 VanDerWaalsContact O-N 3.14Å; E605-G607 VanDerWaalsContact C-N 3.26Å; E605-G607 PolarHBondContact O-N 3.44Å; G607-I609 PolarHBondContact O-N 3.2Å; G607-L610 PolarHBondContact O-N 3.44Å; G607-E611 PolarHBondContact O-N 3.05Å |
| 608 | R | 64.6 | Low | 63.5 | Low | 135 Ų | 135 | 91 Ų | 91 | 51% | 0.509 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -59.8 | -41.9 | 176.6 | -68.7 | 165.3 | 174.1 | 175.9 | -0.3 | 112.2 | N604 E605 E611 H612 | N604-R608 PolarHBondContact O-N 2.93Å; E605-R608 VanDerWaalsContact CD-NH1 3.3Å; E605-R608 WeakPolarHBondContact O-CB 3.34Å; E605-R608 PolarHBondContact O-N 3.27Å; E605-R608 VanDerWaalsContact O-N 3.15Å; E605-R608 WeakPolarHBondContact OE1-CD 3.39Å; E605-R608 IonicContact OE1-CZ 3.3Å; E605-R608 IonicContact OE1-NE 3.55Å; E605-R608 IonicContact OE1-NH1 3.55Å; E605-R608 PolarHBondContact OE1-NH1 3.17Å; E605-R608 IonicContact OE2-CZ 3.12Å; E605-R608 IonicContact OE2-NH1 2.68Å; E605-R608 PolarHBondContact OE2-NH1 2.88Å; E605-R608 VanDerWaalsContact OE2-NH1 3.11Å; R608-E611 PolarHBondContact O-N 2.78Å; R608-H612 PolarHBondContact O-CD2 3.21Å; R608-H612 PolarHBondContact O-N 2.82Å |
| 609 | I | 66.2 | Low | 64.8 | Low | 20 Ų | 20 | 88.1 Ų | 88.1 | 10% | 0.103 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -63.2 | -44 | 176.8 | -69 | 165.9 | 0 | 0 | 0 | 111.3 | A585 M589 E605 G607 E611 H612 Q613 | A585-I609 HydrophobicContact CB-CD1 3.94Å; A585-I609 HydrophobicContact CB-CG1 3.55Å; M589-I609 HydrophobicContact CE-CD1 3.5Å; M589-I609 VanDerWaalsContact CE-CD1 3.5Å; M589-I609 HydrophobicContact CG-CD1 3.97Å; M589-I609 HydrophobicContact SD-CD1 3.54Å; M589-I609 VanDerWaalsContact SD-CD1 3.54Å; E605-I609 WeakPolarHBondContact O-CG1 3.5Å; E605-I609 PolarHBondContact O-N 2.68Å; G607-I609 PolarHBondContact O-N 3.2Å; I609-E611 VanDerWaalsContact C-N 3.28Å; I609-E611 PolarHBondContact O-N 3.37Å; I609-H612 PolarHBondContact O-N 3.46Å; I609-Q613 WeakPolarHBondContact O-CB 3.41Å; I609-Q613 WeakPolarHBondContact O-CG 3.47Å; I609-Q613 PolarHBondContact O-N 3.28Å |
| 610 | L | 72.3 | Confident | 66.1 | Low | 83 Ų | 83 | 85.6 Ų | 85.6 | 44% | 0.435 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.1 | -30.8 | 175.1 | -73.7 | 168.6 | 0 | 0 | 0 | 112.6 | R606 G607 R614 | R606-L610 WeakPolarHBondContact O-CG 3.32Å; R606-L610 PolarHBondContact O-N 3.37Å; R606-L610 VanDerWaalsContact O-N 3.13Å; G607-L610 PolarHBondContact O-N 3.44Å; L610-R614 VanDerWaalsContact O-CG 3.29Å; L610-R614 WeakPolarHBondContact O-CG 3.44Å; L610-R614 PolarHBondContact O-N 2.84Å |
| 611 | E | 71.8 | Confident | 67.8 | Low | 132 Ų | 132 | 82.7 Ų | 82.7 | 62% | 0.617 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -70.4 | -45.6 | 172.9 | -173.3 | 163.5 | -154.5 | 0 | 0 | 112 | G607 R608 I609 Q613 R614 E615 | G607-E611 PolarHBondContact O-N 3.05Å; R608-E611 PolarHBondContact O-N 2.78Å; I609-E611 VanDerWaalsContact C-N 3.28Å; I609-E611 PolarHBondContact O-N 3.37Å; E611-Q613 VanDerWaalsContact C-N 3.34Å; E611-Q613 PolarHBondContact O-N 2.72Å; E611-R614 WeakPolarHBondContact O-CB 3.47Å; E611-R614 PolarHBondContact O-N 2.77Å; E611-R614 VanDerWaalsContact O-N 3.13Å; E611-E615 PolarHBondContact O-N 3.21Å |
| 612 | H | 73 | Confident | 69.1 | Low | 37 Ų | 37 | 84.2 Ų | 84.2 | 17% | 0.171 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -65.6 | -33.7 | 175.6 | -64.8 | -26.7 | 0 | 0 | 0 | 113.1 | R581 A582 R608 I609 R614 E615 L616 | R581-H612 PolarHBondContact NH1-CE1 3.49Å; R581-H612 PolarHBondContact NH1-ND1 3.01Å; A582-H612 HydrophobicContact CB-CB 4.35Å; R608-H612 PolarHBondContact O-CD2 3.21Å; R608-H612 PolarHBondContact O-N 2.82Å; I609-H612 PolarHBondContact O-N 3.46Å; H612-R614 VanDerWaalsContact C-N 3.34Å; H612-R614 PolarHBondContact O-N 2.93Å; H612-E615 IonicContact ND1-OE2 3.76Å; H612-E615 PolarHBondContact O-N 3.41Å; H612-L616 WeakPolarHBondContact O-CB 3.37Å; H612-L616 WeakPolarHBondContact O-CG 3.27Å; H612-L616 PolarHBondContact O-N 2.64Å |
| 613 | Q | 73 | Confident | 70.1 | Confident | 110 Ų | 110 | 88 Ų | 88 | 51% | 0.514 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.1 | -36.8 | 171.2 | -74.7 | 176.7 | -3.1 | 0 | 0 | 112.3 | I609 E611 K617 | I609-Q613 WeakPolarHBondContact O-CB 3.41Å; I609-Q613 WeakPolarHBondContact O-CG 3.47Å; I609-Q613 PolarHBondContact O-N 3.28Å; E611-Q613 VanDerWaalsContact C-N 3.34Å; E611-Q613 PolarHBondContact O-N 2.72Å; Q613-K617 PolarHBondContact O-N 2.81Å; Q613-K617 VanDerWaalsContact O-N 3.11Å |
| 614 | R | 76.6 | Confident | 71.2 | Confident | 185 Ų | 185 | 87.8 Ų | 87.8 | 70% | 0.698 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -69.6 | -39.8 | 172.6 | -70.9 | 167.8 | -178 | 175 | 2.5 | 112.1 | L610 E611 H612 K617 A618 | L610-R614 VanDerWaalsContact O-CG 3.29Å; L610-R614 WeakPolarHBondContact O-CG 3.44Å; L610-R614 PolarHBondContact O-N 2.84Å; E611-R614 WeakPolarHBondContact O-CB 3.47Å; E611-R614 PolarHBondContact O-N 2.77Å; E611-R614 VanDerWaalsContact O-N 3.13Å; H612-R614 VanDerWaalsContact C-N 3.34Å; H612-R614 PolarHBondContact O-N 2.93Å; R614-K617 PolarHBondContact O-N 3.07Å; R614-A618 WeakPolarHBondContact O-CB 2.96Å; R614-A618 PolarHBondContact O-N 2.93Å |
| 615 | E | 73.9 | Confident | 72.2 | Confident | 50 Ų | 50 | 89 Ų | 89 | 23% | 0.234 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -59 | -48.4 | 174.5 | -170.4 | -176.6 | 175.8 | 0 | 0 | 110.8 | R581 E611 H612 A618 L619 | R581-E615 IonicContact CZ-OE1 3.71Å; R581-E615 IonicContact CZ-OE2 3.28Å; R581-E615 IonicContact NH1-OE1 2.7Å; R581-E615 IonicContact NH1-OE2 2.99Å; R581-E615 PolarHBondContact NH1-OE2 3.12Å; R581-E615 IonicContact NH2-OE1 3.84Å; R581-E615 PolarHBondContact NH2-OE1 3.44Å; R581-E615 IonicContact NH2-OE2 2.73Å; R581-E615 PolarHBondContact NH2-OE2 3.46Å; E611-E615 PolarHBondContact O-N 3.21Å; H612-E615 IonicContact ND1-OE2 3.76Å; H612-E615 PolarHBondContact O-N 3.41Å; E615-A618 PolarHBondContact O-N 3.13Å; E615-L619 HydrophobicContact CG-CD1 4.29Å; E615-L619 WeakPolarHBondContact O-CG 3.39Å; E615-L619 PolarHBondContact O-N 3.42Å |
| 616 | L | 73.4 | Confident | 72.9 | Confident | 36 Ų | 36 | 89.7 Ų | 89.7 | 19% | 0.188 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -59.8 | -46.8 | 176.9 | -77.3 | 168.3 | 0 | 0 | 0 | 112.5 | A578 M579 H612 A618 L619 E620 | A578-L616 HydrophobicContact CB-CD2 3.65Å; A578-L616 HydrophobicContact CB-CG 3.91Å; M579-L616 HydrophobicContact CE-CD2 4.46Å; M579-L616 HydrophobicContact CG-CD1 4.19Å; M579-L616 HydrophobicContact CG-CD2 3.81Å; H612-L616 WeakPolarHBondContact O-CB 3.37Å; H612-L616 WeakPolarHBondContact O-CG 3.27Å; H612-L616 PolarHBondContact O-N 2.64Å; L616-A618 PolarHBondContact O-N 3.27Å; L616-L619 PolarHBondContact O-N 2.65Å; L616-E620 PolarHBondContact O-N 2.88Å |
| 617 | K | 78.3 | Confident | 73.5 | Confident | 138 Ų | 138 | 85.7 Ų | 85.7 | 60% | 0.6 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -62 | -43.6 | 177.7 | -166.5 | -174.7 | -177.9 | -154.3 | 0 | 111.8 | Q613 R614 L619 E620 E621 | Q613-K617 PolarHBondContact O-N 2.81Å; Q613-K617 VanDerWaalsContact O-N 3.11Å; R614-K617 PolarHBondContact O-N 3.07Å; K617-L619 VanDerWaalsContact C-N 3.29Å; K617-L619 PolarHBondContact O-N 2.79Å; K617-E620 PolarHBondContact O-N 3.02Å; K617-E621 WeakPolarHBondContact CE-OE1 3.4Å; K617-E621 IonicContact NZ-OE1 2.85Å; K617-E621 PolarHBondContact NZ-OE1 2.99Å; K617-E621 WeakPolarHBondContact O-CG 3.32Å; K617-E621 PolarHBondContact O-N 2.93Å |
| 618 | A | 75.7 | Confident | 74 | Confident | 47 Ų | 47 | 86.9 Ų | 86.9 | 39% | 0.388 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -69.2 | -23.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | R614 E615 L616 K622 | R614-A618 WeakPolarHBondContact O-CB 2.96Å; R614-A618 PolarHBondContact O-N 2.93Å; E615-A618 PolarHBondContact O-N 3.13Å; L616-A618 PolarHBondContact O-N 3.27Å; A618-K622 WeakPolarHBondContact O-CD 3.48Å; A618-K622 VanDerWaalsContact O-CG 3.31Å; A618-K622 WeakPolarHBondContact O-CG 3.25Å |
| 619 | L | 73.6 | Confident | 74.4 | Confident | 17 Ų | 17 | 85 Ų | 85 | 9% | 0.089 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -75 | -42.8 | 170 | -74.3 | 168.8 | 0 | 0 | 0 | 111.5 | R574 Q575 E615 L616 K617 K622 R623 | R574-L619 HydrophobicContact CB-CD1 4.19Å; R574-L619 HydrophobicContact CB-CD2 4.39Å; Q575-L619 HydrophobicContact CG-CB 4Å; Q575-L619 HydrophobicContact CG-CD1 4.25Å; E615-L619 HydrophobicContact CG-CD1 4.29Å; E615-L619 WeakPolarHBondContact O-CG 3.39Å; E615-L619 PolarHBondContact O-N 3.42Å; L616-L619 PolarHBondContact O-N 2.65Å; K617-L619 VanDerWaalsContact C-N 3.29Å; K617-L619 PolarHBondContact O-N 2.79Å; L619-K622 WeakPolarHBondContact O-CB 3.33Å; L619-K622 PolarHBondContact O-N 3.49Å; L619-K622 VanDerWaalsContact O-N 3.17Å; L619-R623 PolarHBondContact O-N 3Å |
| 620 | E | 74.8 | Confident | 74.9 | Confident | 51 Ų | 51 | 86 Ų | 86 | 24% | 0.238 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -67.7 | -40.4 | 178.8 | -175.7 | 55 | -153.9 | 0 | 0 | 112.3 | Q575 L616 K617 K622 R623 Q624 | Q575-E620 PolarHBondContact NE2-OE2 2.77Å; L616-E620 PolarHBondContact O-N 2.88Å; K617-E620 PolarHBondContact O-N 3.02Å; E620-K622 PolarHBondContact O-N 3.31Å; E620-R623 VanDerWaalsContact CD-NH1 3.31Å; E620-R623 WeakPolarHBondContact O-CB 3.24Å; E620-R623 PolarHBondContact O-N 2.93Å; E620-R623 VanDerWaalsContact O-N 3.17Å; E620-R623 IonicContact OE1-NH1 3.63Å; E620-R623 PolarHBondContact OE1-NH1 3.26Å; E620-R623 WeakPolarHBondContact OE2-CD 3.34Å; E620-R623 IonicContact OE2-CZ 3.56Å; E620-R623 IonicContact OE2-NH1 3.13Å; E620-R623 PolarHBondContact OE2-NH1 3.26Å; E620-Q624 WeakPolarHBondContact O-CG 3.46Å; E620-Q624 PolarHBondContact O-N 3.29Å; E620-Q624 PolarHBondContact OE1-NE2 2.67Å |
| 621 | E | 78.3 | Confident | 75.1 | Confident | 88 Ų | 88 | 87.8 Ų | 87.8 | 41% | 0.411 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.4 | -26.5 | 172 | -73 | 177.8 | -161.6 | 0 | 0 | 112.9 | K617 K625 | K617-E621 WeakPolarHBondContact CE-OE1 3.4Å; K617-E621 IonicContact NZ-OE1 2.85Å; K617-E621 PolarHBondContact NZ-OE1 2.99Å; K617-E621 WeakPolarHBondContact O-CG 3.32Å; K617-E621 PolarHBondContact O-N 2.93Å; E621-K625 WeakPolarHBondContact O-CD 3.44Å; E621-K625 WeakPolarHBondContact O-CG 3.48Å |
| 622 | K | 74 | Confident | 75.2 | Confident | 137 Ų | 137 | 86.3 Ų | 86.3 | 60% | 0.596 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -78.9 | -43.1 | 172.2 | -76.1 | 174.4 | 179.9 | -177.2 | 0 | 112 | A618 L619 E620 Q624 K625 F626 | A618-K622 WeakPolarHBondContact O-CD 3.48Å; A618-K622 VanDerWaalsContact O-CG 3.31Å; A618-K622 WeakPolarHBondContact O-CG 3.25Å; L619-K622 WeakPolarHBondContact O-CB 3.33Å; L619-K622 PolarHBondContact O-N 3.49Å; L619-K622 VanDerWaalsContact O-N 3.17Å; E620-K622 PolarHBondContact O-N 3.31Å; K622-Q624 VanDerWaalsContact C-N 3.31Å; K622-Q624 PolarHBondContact O-N 2.9Å; K622-K625 PolarHBondContact O-N 2.94Å; K622-F626 WeakPolarHBondContact O-CB 3.16Å; K622-F626 PolarHBondContact O-N 2.98Å |
| 623 | R | 76.4 | Confident | 74.9 | Confident | 123 Ų | 123 | 86.4 Ų | 86.4 | 46% | 0.464 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -54.7 | -46.7 | 176.2 | -175 | 170.7 | 158 | -100.8 | -5.6 | 111.2 | I571 L619 E620 K625 F626 E627 | I571-R623 HydrophobicContact CG2-CB 4.02Å; I571-R623 HydrophobicContact CG2-CG 4.25Å; L619-R623 PolarHBondContact O-N 3Å; E620-R623 VanDerWaalsContact CD-NH1 3.31Å; E620-R623 WeakPolarHBondContact O-CB 3.24Å; E620-R623 PolarHBondContact O-N 2.93Å; E620-R623 VanDerWaalsContact O-N 3.17Å; E620-R623 IonicContact OE1-NH1 3.63Å; E620-R623 PolarHBondContact OE1-NH1 3.26Å; E620-R623 WeakPolarHBondContact OE2-CD 3.34Å; E620-R623 IonicContact OE2-CZ 3.56Å; E620-R623 IonicContact OE2-NH1 3.13Å; E620-R623 PolarHBondContact OE2-NH1 3.26Å; R623-K625 PolarHBondContact O-N 3.24Å; R623-F626 PolarHBondContact O-N 3.25Å; R623-E627 WeakPolarHBondContact O-CB 3.36Å; R623-E627 PolarHBondContact O-N 3.26Å |
| 624 | Q | 78.2 | Confident | 75.1 | Confident | 116 Ų | 116 | 84.7 Ų | 84.7 | 54% | 0.542 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66 | -38.1 | 179.1 | -67.1 | 173.7 | 12 | 0 | 0 | 113.2 | E620 K622 A628 | E620-Q624 WeakPolarHBondContact O-CG 3.46Å; E620-Q624 PolarHBondContact O-N 3.29Å; E620-Q624 PolarHBondContact OE1-NE2 2.67Å; K622-Q624 VanDerWaalsContact C-N 3.31Å; K622-Q624 PolarHBondContact O-N 2.9Å; Q624-A628 PolarHBondContact O-N 3.06Å |
| 625 | K | 76.2 | Confident | 75.3 | Confident | 142 Ų | 142 | 79.5 Ų | 79.5 | 62% | 0.617 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -67.9 | -36.7 | 173.9 | -73.3 | 172 | -177.5 | 171.7 | 0 | 112.3 | E621 K622 R623 L629 | E621-K625 WeakPolarHBondContact O-CD 3.44Å; E621-K625 WeakPolarHBondContact O-CG 3.48Å; K622-K625 PolarHBondContact O-N 2.94Å; R623-K625 PolarHBondContact O-N 3.24Å; K625-L629 WeakPolarHBondContact O-CG 3.34Å; K625-L629 PolarHBondContact O-N 3.21Å |
| 626 | F | 72.9 | Confident | 75.1 | Confident | 48 Ų | 48 | 84.7 Ų | 84.7 | 21% | 0.211 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -66.8 | -49.1 | 177.6 | -172 | -101.1 | 0 | 0 | 0 | 111.8 | T564 V567 E568 K622 R623 A628 L629 K630 | T564-F626 HydrophobicContact CG2-CE1 4.42Å; T564-F626 HydrophobicContact CG2-CZ 3.84Å; V567-F626 HydrophobicContact CB-CE1 4.05Å; V567-F626 HydrophobicContact CB-CE2 3.96Å; V567-F626 HydrophobicContact CB-CZ 3.55Å; V567-F626 HydrophobicContact CG1-CD1 4.44Å; V567-F626 HydrophobicContact CG1-CD2 3.98Å; V567-F626 HydrophobicContact CG1-CE1 4.09Å; V567-F626 HydrophobicContact CG1-CE2 3.6Å; V567-F626 HydrophobicContact CG1-CG 4.39Å; V567-F626 HydrophobicContact CG1-CZ 3.66Å; V567-F626 HydrophobicContact CG2-CE2 4.38Å; V567-F626 HydrophobicContact CG2-CZ 4.2Å; E568-F626 HydrophobicContact CG-CD1 4.22Å; E568-F626 HydrophobicContact CG-CE1 4.06Å; E568-F626 WeakPolarHBondContact OE1-CE1 3.34Å; K622-F626 WeakPolarHBondContact O-CB 3.16Å; K622-F626 PolarHBondContact O-N 2.98Å; R623-F626 PolarHBondContact O-N 3.25Å; F626-A628 VanDerWaalsContact C-N 3.28Å; F626-A628 PolarHBondContact O-N 3.18Å; F626-L629 PolarHBondContact O-N 2.91Å; F626-K630 PolarHBondContact O-N 2.96Å |
| 627 | E | 72.9 | Confident | 75 | Confident | 67 Ų | 67 | 83.2 Ų | 83.2 | 31% | 0.313 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -54.4 | -41.1 | 175.6 | -179.4 | 63.3 | -161.5 | 0 | 0 | 112.6 | R623 K631 | R623-E627 WeakPolarHBondContact O-CB 3.36Å; R623-E627 PolarHBondContact O-N 3.26Å; E627-K631 PolarHBondContact O-N 2.7Å; E627-K631 WeakPolarHBondContact OE1-CE 3.33Å; E627-K631 IonicContact OE1-NZ 2.65Å; E627-K631 PolarHBondContact OE1-NZ 3.15Å |
| 628 | A | 78.4 | Confident | 75.1 | Confident | 62 Ų | 62 | 83 Ų | 83 | 51% | 0.512 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -66.8 | -38.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | Q624 F626 Q632 | Q624-A628 PolarHBondContact O-N 3.06Å; F626-A628 VanDerWaalsContact C-N 3.28Å; F626-A628 PolarHBondContact O-N 3.18Å; A628-Q632 PolarHBondContact O-N 2.98Å |
| 629 | L | 72.6 | Confident | 75.3 | Confident | 96 Ų | 96 | 85 Ų | 85 | 50% | 0.503 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -70.6 | -39.5 | 176.6 | -72.9 | 168.8 | 0 | 0 | 0 | 112 | K625 F626 Q632 A633 | K625-L629 WeakPolarHBondContact O-CG 3.34Å; K625-L629 PolarHBondContact O-N 3.21Å; F626-L629 PolarHBondContact O-N 2.91Å; L629-Q632 WeakPolarHBondContact O-CB 3.14Å; L629-Q632 PolarHBondContact O-N 2.72Å; L629-A633 PolarHBondContact O-N 2.76Å |
| 630 | K | 76.4 | Confident | 75.4 | Confident | 40 Ų | 40 | 86.3 Ų | 86.3 | 17% | 0.174 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -57.2 | -52.4 | 175.3 | 177.4 | 176.2 | 177.9 | -171.1 | 0 | 111.5 | E568 F626 Q632 A633 E634 | E568-K630 WeakPolarHBondContact OE1-CD 3.41Å; E568-K630 WeakPolarHBondContact OE1-CE 3.45Å; E568-K630 IonicContact OE1-NZ 3.19Å; E568-K630 PolarHBondContact OE1-NZ 3.48Å; E568-K630 IonicContact OE2-NZ 2.67Å; E568-K630 PolarHBondContact OE2-NZ 2.6Å; F626-K630 PolarHBondContact O-N 2.96Å; K630-Q632 VanDerWaalsContact C-N 3.26Å; K630-Q632 PolarHBondContact O-N 2.65Å; K630-A633 WeakPolarHBondContact O-CA 3.07Å; K630-A633 WeakPolarHBondContact O-CB 3.41Å; K630-A633 PolarHBondContact O-N 2.85Å; K630-E634 VanDerWaalsContact CE-OE1 3.23Å; K630-E634 WeakPolarHBondContact CE-OE1 3.02Å; K630-E634 HydrophobicContact CG-CG 4.46Å; K630-E634 WeakPolarHBondContact CG-OE1 3.28Å; K630-E634 WeakPolarHBondContact O-CG 3.17Å; K630-E634 PolarHBondContact O-N 3.43Å |
| 631 | K | 77.5 | Confident | 75.5 | Confident | 122 Ų | 122 | 90.5 Ų | 90.5 | 53% | 0.53 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -59.1 | -34.8 | 176 | -77.2 | 168.8 | 167.8 | 154.5 | 0 | 113.2 | E627 E635 | E627-K631 PolarHBondContact O-N 2.7Å; E627-K631 WeakPolarHBondContact OE1-CE 3.33Å; E627-K631 IonicContact OE1-NZ 2.65Å; E627-K631 PolarHBondContact OE1-NZ 3.15Å; K631-E635 PolarHBondContact O-N 3.23Å; K631-E635 VanDerWaalsContact O-N 3.15Å |
| 632 | Q | 73.3 | Confident | 75.6 | Confident | 100 Ų | 100 | 89.6 Ų | 89.6 | 47% | 0.467 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -69.4 | -32.9 | 174 | -165.9 | -177.2 | 57.6 | 0 | 0 | 112.8 | A628 L629 K630 R636 | A628-Q632 PolarHBondContact O-N 2.98Å; L629-Q632 WeakPolarHBondContact O-CB 3.14Å; L629-Q632 PolarHBondContact O-N 2.72Å; K630-Q632 VanDerWaalsContact C-N 3.26Å; K630-Q632 PolarHBondContact O-N 2.65Å; Q632-R636 WeakPolarHBondContact O-CD 3.46Å; Q632-R636 VanDerWaalsContact O-CG 3.27Å; Q632-R636 WeakPolarHBondContact O-CG 3.21Å; Q632-R636 PolarHBondContact O-N 2.9Å |
| 633 | A | 67.7 | Low | 75.7 | Confident | 40 Ų | 40 | 87.8 Ų | 87.8 | 33% | 0.331 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -73.4 | -43.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L629 K630 R636 A637 | L629-A633 PolarHBondContact O-N 2.76Å; K630-A633 WeakPolarHBondContact O-CA 3.07Å; K630-A633 WeakPolarHBondContact O-CB 3.41Å; K630-A633 PolarHBondContact O-N 2.85Å; A633-R636 PolarHBondContact O-N 3.32Å; A633-A637 PolarHBondContact O-N 2.9Å |
| 634 | E | 76.8 | Confident | 75.5 | Confident | 74 Ų | 74 | 83.6 Ų | 83.6 | 35% | 0.346 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59.8 | -46.2 | 177.3 | -70.7 | 167 | 167.8 | 0 | 0 | 111.9 | I561 K630 R636 A637 R638 | I561-E634 HydrophobicContact CD1-CG 4.47Å; K630-E634 VanDerWaalsContact CE-OE1 3.23Å; K630-E634 WeakPolarHBondContact CE-OE1 3.02Å; K630-E634 HydrophobicContact CG-CG 4.46Å; K630-E634 WeakPolarHBondContact CG-OE1 3.28Å; K630-E634 WeakPolarHBondContact O-CG 3.17Å; K630-E634 PolarHBondContact O-N 3.43Å; E634-R636 PolarHBondContact O-N 3.19Å; E634-A637 WeakPolarHBondContact O-CB 3.43Å; E634-A637 PolarHBondContact O-N 2.96Å; E634-A637 VanDerWaalsContact O-N 3.16Å; E634-R638 PolarHBondContact O-N 3.24Å |
| 635 | E | 79.2 | Confident | 75.5 | Confident | 75 Ų | 75 | 81.9 Ų | 81.9 | 35% | 0.35 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65.2 | -37.3 | 177.1 | 179.3 | 60.5 | -175.5 | 0 | 0 | 112.3 | K631 A637 R638 L639 | K631-E635 PolarHBondContact O-N 3.23Å; K631-E635 VanDerWaalsContact O-N 3.15Å; E635-A637 VanDerWaalsContact C-N 3.33Å; E635-A637 PolarHBondContact O-N 3.44Å; E635-R638 VanDerWaalsContact CD-NH2 3.27Å; E635-R638 PolarHBondContact O-N 3.03Å; E635-R638 IonicContact OE1-CZ 3.92Å; E635-R638 IonicContact OE1-NE 3.6Å; E635-R638 IonicContact OE1-NH2 2.62Å; E635-R638 PolarHBondContact OE1-NH2 3.46Å; E635-R638 IonicContact OE2-CZ 3.9Å; E635-R638 VanDerWaalsContact OE2-CZ 3.27Å; E635-R638 IonicContact OE2-NE 2.93Å; E635-R638 PolarHBondContact OE2-NE 3.33Å; E635-R638 IonicContact OE2-NH2 2.94Å; E635-R638 PolarHBondContact OE2-NH2 3.39Å; E635-L639 HydrophobicContact CG-CD1 4.11Å; E635-L639 WeakPolarHBondContact O-CG 3.41Å; E635-L639 PolarHBondContact O-N 3.32Å |
| 636 | R | 70.8 | Confident | 75.5 | Confident | 159 Ų | 159 | 82.3 Ų | 82.3 | 60% | 0.6 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -63.3 | -38.9 | 172.7 | -75.9 | 172.8 | 177.6 | 176 | 3.9 | 111.8 | Q632 A633 E634 L640 | Q632-R636 WeakPolarHBondContact O-CD 3.46Å; Q632-R636 VanDerWaalsContact O-CG 3.27Å; Q632-R636 WeakPolarHBondContact O-CG 3.21Å; Q632-R636 PolarHBondContact O-N 2.9Å; A633-R636 PolarHBondContact O-N 3.32Å; E634-R636 PolarHBondContact O-N 3.19Å; R636-L640 WeakPolarHBondContact O-CB 3.48Å; R636-L640 PolarHBondContact O-N 3.49Å |
| 637 | A | 71.8 | Confident | 75.4 | Confident | 6 Ų | 6 | 86.9 Ų | 86.9 | 5% | 0.05 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -64.8 | -43.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I557 I561 A633 E634 E635 L640 K641 | I557-A637 HydrophobicContact CG2-CB 3.67Å; I561-A637 HydrophobicContact CD1-CB 4.03Å; A633-A637 PolarHBondContact O-N 2.9Å; E634-A637 WeakPolarHBondContact O-CB 3.43Å; E634-A637 PolarHBondContact O-N 2.96Å; E634-A637 VanDerWaalsContact O-N 3.16Å; E635-A637 VanDerWaalsContact C-N 3.33Å; E635-A637 PolarHBondContact O-N 3.44Å; A637-L640 PolarHBondContact O-N 2.81Å; A637-K641 WeakPolarHBondContact O-CB 3.5Å; A637-K641 PolarHBondContact O-N 2.76Å |
| 638 | R | 80.2 | Confident | 75.5 | Confident | 132 Ų | 132 | 87.5 Ų | 87.5 | 50% | 0.498 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.9 | -50.4 | 176.9 | -167.3 | 175.3 | 72.5 | 100.5 | 0.9 | 111.8 | E634 E635 L640 K641 E642 | E634-R638 PolarHBondContact O-N 3.24Å; E635-R638 VanDerWaalsContact CD-NH2 3.27Å; E635-R638 PolarHBondContact O-N 3.03Å; E635-R638 IonicContact OE1-CZ 3.92Å; E635-R638 IonicContact OE1-NE 3.6Å; E635-R638 IonicContact OE1-NH2 2.62Å; E635-R638 PolarHBondContact OE1-NH2 3.46Å; E635-R638 IonicContact OE2-CZ 3.9Å; E635-R638 VanDerWaalsContact OE2-CZ 3.27Å; E635-R638 IonicContact OE2-NE 2.93Å; E635-R638 PolarHBondContact OE2-NE 3.33Å; E635-R638 IonicContact OE2-NH2 2.94Å; E635-R638 PolarHBondContact OE2-NH2 3.39Å; R638-L640 VanDerWaalsContact C-N 3.35Å; R638-L640 PolarHBondContact O-N 3.07Å; R638-K641 PolarHBondContact O-N 3.37Å; R638-E642 IonicContact NH1-OE1 3.11Å; R638-E642 PolarHBondContact O-N 2.74Å |
| 639 | L | 80 | Confident | 75.6 | Confident | 91 Ų | 91 | 91.6 Ų | 91.6 | 48% | 0.476 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.5 | -37 | 178.5 | -68.1 | 170.6 | 0 | 0 | 0 | 112.7 | E635 H643 | E635-L639 HydrophobicContact CG-CD1 4.11Å; E635-L639 WeakPolarHBondContact O-CG 3.41Å; E635-L639 PolarHBondContact O-N 3.32Å; L639-H643 PolarHBondContact O-N 2.7Å |
| 640 | L | 75.4 | Confident | 75.6 | Confident | 43 Ų | 43 | 93.2 Ų | 93.2 | 23% | 0.225 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -66.7 | -43.4 | 175 | -177 | 62.4 | 0 | 0 | 0 | 111.8 | I557 R636 A637 R638 E642 H643 L644 | I557-L640 HydrophobicContact CD1-CD2 3.78Å; R636-L640 WeakPolarHBondContact O-CB 3.48Å; R636-L640 PolarHBondContact O-N 3.49Å; A637-L640 PolarHBondContact O-N 2.81Å; R638-L640 VanDerWaalsContact C-N 3.35Å; R638-L640 PolarHBondContact O-N 3.07Å; L640-E642 PolarHBondContact O-N 3.46Å; L640-H643 PolarHBondContact O-N 3.22Å; L640-L644 HydrophobicContact CG-CD1 4.32Å; L640-L644 WeakPolarHBondContact O-CG 3.34Å; L640-L644 PolarHBondContact O-N 3.5Å |
| 641 | K | 76.5 | Confident | 75.5 | Confident | 140 Ų | 140 | 97.4 Ų | 97.4 | 61% | 0.609 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -60.1 | -44.6 | 176.4 | -172.3 | 177.3 | -178.5 | 179.1 | 0 | 111.4 | A637 R638 H643 L644 E645 | A637-K641 WeakPolarHBondContact O-CB 3.5Å; A637-K641 PolarHBondContact O-N 2.76Å; R638-K641 PolarHBondContact O-N 3.37Å; K641-H643 PolarHBondContact O-N 2.99Å; K641-L644 PolarHBondContact O-N 2.85Å; K641-E645 PolarHBondContact O-N 3.12Å; K641-E645 VanDerWaalsContact O-N 3.11Å |
| 642 | E | 80.8 | Confident | 75.5 | Confident | 69 Ų | 69 | 98.6 Ų | 98.6 | 32% | 0.322 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60 | -43.5 | 172.9 | -79.7 | -164.2 | -137.5 | 0 | 0 | 112.8 | R638 L640 L644 E645 R646 | R638-E642 IonicContact NH1-OE1 3.11Å; R638-E642 PolarHBondContact O-N 2.74Å; L640-E642 PolarHBondContact O-N 3.46Å; E642-L644 PolarHBondContact O-N 3.17Å; E642-E645 PolarHBondContact O-N 3.23Å; E642-R646 VanDerWaalsContact O-CG 3.27Å; E642-R646 WeakPolarHBondContact O-CG 3.4Å; E642-R646 PolarHBondContact O-N 2.94Å; E642-R646 IonicContact OE2-CZ 3.29Å; E642-R646 IonicContact OE2-NE 3.84Å; E642-R646 IonicContact OE2-NH2 2.72Å; E642-R646 PolarHBondContact OE2-NH2 3.44Å |
| 643 | H | 75.5 | Confident | 75.8 | Confident | 99 Ų | 99 | 97.6 Ų | 97.6 | 46% | 0.458 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65.9 | -37.9 | -179 | -171.4 | 53.9 | 0 | 0 | 0 | 112.4 | L639 L640 K641 R646 R647 | L639-H643 PolarHBondContact O-N 2.7Å; L640-H643 PolarHBondContact O-N 3.22Å; K641-H643 PolarHBondContact O-N 2.99Å; H643-R646 PolarHBondContact O-N 3.16Å; H643-R647 PolarHBondContact O-N 3.06Å |
| 644 | L | 72.1 | Confident | 76.1 | Confident | 34 Ų | 34 | 103 Ų | 103 | 18% | 0.178 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -65.2 | -43.7 | 174.5 | -69.6 | 170.5 | 0 | 0 | 0 | 112.1 | N550 L640 K641 E642 R647 K648 | N550-L644 HydrophobicContact CB-CD2 4.21Å; L640-L644 HydrophobicContact CG-CD1 4.32Å; L640-L644 WeakPolarHBondContact O-CG 3.34Å; L640-L644 PolarHBondContact O-N 3.5Å; K641-L644 PolarHBondContact O-N 2.85Å; E642-L644 PolarHBondContact O-N 3.17Å; L644-R647 PolarHBondContact O-N 3.24Å; L644-K648 PolarHBondContact O-N 2.9Å |
| 645 | E | 77.7 | Confident | 76 | Confident | 81 Ų | 81 | 104.3 Ų | 104.3 | 38% | 0.379 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -66.6 | -35.5 | 176.2 | -74.2 | -55.8 | 133.3 | 0 | 0 | 113 | K641 E642 R647 K648 K649 | K641-E645 PolarHBondContact O-N 3.12Å; K641-E645 VanDerWaalsContact O-N 3.11Å; E642-E645 PolarHBondContact O-N 3.23Å; E645-R647 VanDerWaalsContact C-N 3.32Å; E645-R647 PolarHBondContact O-N 3.03Å; E645-K648 WeakPolarHBondContact OE1-CD 3.2Å; E645-K648 WeakPolarHBondContact OE1-CE 3.34Å; E645-K648 IonicContact OE1-NZ 2.74Å; E645-K648 PolarHBondContact OE1-NZ 3.22Å; E645-K649 WeakPolarHBondContact O-CG 3.19Å; E645-K649 PolarHBondContact O-N 3.49Å |
| 646 | R | 76.3 | Confident | 76 | Confident | 150 Ų | 150 | 106.1 Ų | 106.1 | 57% | 0.566 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -62.3 | -39.5 | 171.1 | -69.1 | 173.5 | -160.1 | -159.9 | 8.5 | 111.2 | E642 H643 K649 Q650 | E642-R646 VanDerWaalsContact O-CG 3.27Å; E642-R646 WeakPolarHBondContact O-CG 3.4Å; E642-R646 PolarHBondContact O-N 2.94Å; E642-R646 IonicContact OE2-CZ 3.29Å; E642-R646 IonicContact OE2-NE 3.84Å; E642-R646 IonicContact OE2-NH2 2.72Å; E642-R646 PolarHBondContact OE2-NH2 3.44Å; H643-R646 PolarHBondContact O-N 3.16Å; R646-K649 PolarHBondContact O-N 3.4Å; R646-Q650 WeakPolarHBondContact O-CG 3.38Å; R646-Q650 PolarHBondContact O-N 3.17Å; R646-Q650 VanDerWaalsContact O-N 3.13Å |
| 647 | R | 71.6 | Confident | 76.3 | Confident | 145 Ų | 145 | 103.3 Ų | 103.3 | 55% | 0.547 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67.4 | -46.1 | 175.4 | -92.5 | -172.8 | 161.3 | 173.4 | -4.1 | 113.6 | H643 L644 E645 K649 Q650 E651 | H643-R647 PolarHBondContact O-N 3.06Å; L644-R647 PolarHBondContact O-N 3.24Å; E645-R647 VanDerWaalsContact C-N 3.32Å; E645-R647 PolarHBondContact O-N 3.03Å; R647-K649 PolarHBondContact O-N 3.37Å; R647-Q650 PolarHBondContact O-N 2.68Å; R647-E651 WeakPolarHBondContact O-CB 3.18Å; R647-E651 PolarHBondContact O-N 2.86Å |
| 648 | K | 75.2 | Confident | 76.6 | Confident | 80 Ų | 80 | 111.1 Ų | 111.1 | 35% | 0.348 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -55 | -36.8 | 174.6 | -70.2 | 179.3 | -172.3 | 169.7 | 0 | 112.5 | L644 E645 K652 | L644-K648 PolarHBondContact O-N 2.9Å; E645-K648 WeakPolarHBondContact OE1-CD 3.2Å; E645-K648 WeakPolarHBondContact OE1-CE 3.34Å; E645-K648 IonicContact OE1-NZ 2.74Å; E645-K648 PolarHBondContact OE1-NZ 3.22Å; K648-K652 PolarHBondContact O-N 3.26Å; K648-K652 VanDerWaalsContact O-N 3.13Å |
| 649 | K | 79.6 | Confident | 76.7 | Confident | 148 Ų | 148 | 110.4 Ų | 110.4 | 64% | 0.643 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -68.7 | -43.5 | 175.5 | -71.3 | 175.7 | -177.8 | -177.9 | 0 | 112.3 | E645 R646 R647 V653 | E645-K649 WeakPolarHBondContact O-CG 3.19Å; E645-K649 PolarHBondContact O-N 3.49Å; R646-K649 PolarHBondContact O-N 3.4Å; R647-K649 PolarHBondContact O-N 3.37Å; K649-V653 WeakPolarHBondContact O-CG2 3.44Å; K649-V653 PolarHBondContact O-N 3.01Å |
| 650 | Q | 74.2 | Confident | 76.6 | Confident | 129 Ų | 129 | 111.8 Ų | 111.8 | 60% | 0.603 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.5 | -41.3 | 174.6 | -72 | 175.5 | -35 | 0 | 0 | 112.3 | R646 R647 V653 F654 | R646-Q650 WeakPolarHBondContact O-CG 3.38Å; R646-Q650 PolarHBondContact O-N 3.17Å; R646-Q650 VanDerWaalsContact O-N 3.13Å; R647-Q650 PolarHBondContact O-N 2.68Å; Q650-V653 WeakPolarHBondContact O-CB 2.86Å; Q650-V653 PolarHBondContact O-N 2.95Å; Q650-F654 PolarHBondContact O-N 2.73Å |
| 651 | E | 73.2 | Confident | 76.5 | Confident | 128 Ų | 128 | 115.3 Ų | 115.3 | 60% | 0.598 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.5 | -41.7 | -179.8 | -167.4 | 161.2 | -146.3 | 0 | 0 | 111.9 | R647 V653 F654 E655 | R647-E651 WeakPolarHBondContact O-CB 3.18Å; R647-E651 PolarHBondContact O-N 2.86Å; E651-V653 VanDerWaalsContact C-N 3.33Å; E651-V653 PolarHBondContact O-N 2.8Å; E651-F654 PolarHBondContact O-N 3.23Å; E651-E655 PolarHBondContact O-N 2.96Å |
| 652 | K | 77.4 | Confident | 76.5 | Confident | 148 Ų | 148 | 112.9 Ų | 112.9 | 64% | 0.643 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.9 | -35.6 | 170.8 | -80 | -169.1 | 172.4 | -171.2 | 0 | 113.7 | K648 L656 | K648-K652 PolarHBondContact O-N 3.26Å; K648-K652 VanDerWaalsContact O-N 3.13Å; K652-L656 WeakPolarHBondContact O-CB 3.43Å; K652-L656 WeakPolarHBondContact O-CD1 2.94Å; K652-L656 VanDerWaalsContact O-CG 3.28Å; K652-L656 WeakPolarHBondContact O-CG 3.48Å; K652-L656 PolarHBondContact O-N 3.1Å; K652-L656 VanDerWaalsContact O-N 3.08Å |
| 653 | V | 80.3 | Confident | 76.2 | Confident | 79 Ų | 79 | 114.8 Ų | 114.8 | 48% | 0.479 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.2 | -45.9 | 174 | 171.5 | 0 | 0 | 0 | 0 | 110.2 | K649 Q650 E651 E655 L656 E657 | K649-V653 WeakPolarHBondContact O-CG2 3.44Å; K649-V653 PolarHBondContact O-N 3.01Å; Q650-V653 WeakPolarHBondContact O-CB 2.86Å; Q650-V653 PolarHBondContact O-N 2.95Å; E651-V653 VanDerWaalsContact C-N 3.33Å; E651-V653 PolarHBondContact O-N 2.8Å; V653-E655 VanDerWaalsContact C-N 3.34Å; V653-E655 PolarHBondContact O-N 3.2Å; V653-L656 PolarHBondContact O-N 3.29Å; V653-E657 HydrophobicContact CG1-CG 4.48Å; V653-E657 WeakPolarHBondContact O-CG 3.08Å; V653-E657 PolarHBondContact O-N 3.38Å |
| 654 | F | 72.7 | Confident | 75.8 | Confident | 153 Ų | 153 | 117.8 Ų | 117.8 | 67% | 0.671 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.4 | -36.4 | 179.3 | -140.4 | -91.6 | 0 | 0 | 0 | 112.7 | Q650 E651 E657 R658 | Q650-F654 PolarHBondContact O-N 2.73Å; E651-F654 PolarHBondContact O-N 3.23Å; F654-E657 PolarHBondContact O-N 3.44Å; F654-R658 WeakPolarHBondContact O-CB 3.33Å; F654-R658 PolarHBondContact O-N 3.42Å |
| 655 | E | 75.7 | Confident | 75.7 | Confident | 101 Ų | 101 | 121.2 Ų | 121.2 | 47% | 0.472 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.3 | -40.7 | 174.1 | -159.8 | -158.4 | 155.8 | 0 | 0 | 112 | E651 V653 R658 K659 | E651-E655 PolarHBondContact O-N 2.96Å; V653-E655 VanDerWaalsContact C-N 3.34Å; V653-E655 PolarHBondContact O-N 3.2Å; E655-R658 PolarHBondContact O-N 2.89Å; E655-K659 WeakPolarHBondContact O-CG 3.23Å; E655-K659 PolarHBondContact O-N 3.29Å; E655-K659 WeakPolarHBondContact OE1-CE 3.5Å; E655-K659 IonicContact OE1-NZ 2.86Å; E655-K659 PolarHBondContact OE1-NZ 3.14Å |
| 656 | L | 79 | Confident | 75 | Confident | 113 Ų | 113 | 122.6 Ų | 122.6 | 59% | 0.592 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.4 | -43.5 | 174.3 | -74.8 | 167.1 | 0 | 0 | 0 | 111.7 | K652 V653 R658 K659 H660 | K652-L656 WeakPolarHBondContact O-CB 3.43Å; K652-L656 WeakPolarHBondContact O-CD1 2.94Å; K652-L656 VanDerWaalsContact O-CG 3.28Å; K652-L656 WeakPolarHBondContact O-CG 3.48Å; K652-L656 PolarHBondContact O-N 3.1Å; K652-L656 VanDerWaalsContact O-N 3.08Å; V653-L656 PolarHBondContact O-N 3.29Å; L656-R658 PolarHBondContact O-N 2.91Å; L656-K659 PolarHBondContact O-N 3.2Å; L656-H660 WeakPolarHBondContact O-CB 2.98Å; L656-H660 PolarHBondContact O-N 3.24Å |
| 657 | E | 76.1 | Confident | 74.6 | Confident | 101 Ų | 101 | 119.2 Ų | 119.2 | 47% | 0.472 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.2 | -43.9 | 174.9 | -74.4 | -177.6 | 156.2 | 0 | 0 | 111.7 | V653 F654 K659 H660 Q661 | V653-E657 HydrophobicContact CG1-CG 4.48Å; V653-E657 WeakPolarHBondContact O-CG 3.08Å; V653-E657 PolarHBondContact O-N 3.38Å; F654-E657 PolarHBondContact O-N 3.44Å; E657-K659 PolarHBondContact O-N 3.21Å; E657-H660 CarbonylContact O-C 3.59Å; E657-H660 PolarHBondContact O-N 2.96Å; E657-H660 VanDerWaalsContact O-N 3.14Å; E657-Q661 WeakPolarHBondContact O-CG 3.34Å; E657-Q661 PolarHBondContact O-N 3.13Å |
| 658 | R | 79.3 | Confident | 74 | Confident | 170 Ų | 170 | 118.8 Ų | 118.8 | 64% | 0.642 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.8 | -42.1 | 175.8 | -172.3 | 179.4 | 178.3 | -157.4 | -2.4 | 112.2 | F654 E655 L656 H660 Q661 L662 | F654-R658 WeakPolarHBondContact O-CB 3.33Å; F654-R658 PolarHBondContact O-N 3.42Å; E655-R658 PolarHBondContact O-N 2.89Å; L656-R658 PolarHBondContact O-N 2.91Å; R658-H660 VanDerWaalsContact C-N 3.31Å; R658-H660 PolarHBondContact O-N 2.9Å; R658-Q661 PolarHBondContact O-N 3.44Å; R658-L662 HydrophobicContact CG-CD1 4.34Å; R658-L662 WeakPolarHBondContact O-CG 3.35Å; R658-L662 PolarHBondContact O-N 2.72Å |
| 659 | K | 81.1 | Confident | 72.9 | Confident | 117 Ų | 117 | 121.8 Ų | 121.8 | 51% | 0.509 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.8 | -38.2 | 173.4 | -71.8 | 172.7 | -173.4 | 172.7 | 0 | 111.6 | E655 L656 E657 Q661 L662 F663 | E655-K659 WeakPolarHBondContact O-CG 3.23Å; E655-K659 PolarHBondContact O-N 3.29Å; E655-K659 WeakPolarHBondContact OE1-CE 3.5Å; E655-K659 IonicContact OE1-NZ 2.86Å; E655-K659 PolarHBondContact OE1-NZ 3.14Å; L656-K659 PolarHBondContact O-N 3.2Å; E657-K659 PolarHBondContact O-N 3.21Å; K659-Q661 VanDerWaalsContact C-N 3.3Å; K659-Q661 PolarHBondContact O-N 2.89Å; K659-L662 PolarHBondContact O-N 2.95Å; K659-F663 WeakPolarHBondContact O-CB 3.3Å; K659-F663 PolarHBondContact O-N 2.93Å |
| 660 | H | 79.4 | Confident | 71.6 | Confident | 119 Ų | 119 | 124.4 Ų | 124.4 | 55% | 0.551 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -73.9 | -16.5 | 176.9 | -135.9 | 144.3 | 0 | 0 | 0 | 114.1 | L656 E657 R658 R664 | L656-H660 WeakPolarHBondContact O-CB 2.98Å; L656-H660 PolarHBondContact O-N 3.24Å; E657-H660 CarbonylContact O-C 3.59Å; E657-H660 PolarHBondContact O-N 2.96Å; E657-H660 VanDerWaalsContact O-N 3.14Å; R658-H660 VanDerWaalsContact C-N 3.31Å; R658-H660 PolarHBondContact O-N 2.9Å; H660-R664 PolarHBondContact O-NE 3.33Å |
| 661 | Q | 73.3 | Confident | 70.4 | Confident | 117 Ų | 117 | 126.7 Ų | 126.7 | 55% | 0.547 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -83.5 | -47 | 168.3 | -73.1 | 177.1 | -0.5 | 0 | 0 | 111 | E657 R658 K659 F663 R664 L665 | E657-Q661 WeakPolarHBondContact O-CG 3.34Å; E657-Q661 PolarHBondContact O-N 3.13Å; R658-Q661 PolarHBondContact O-N 3.44Å; K659-Q661 VanDerWaalsContact C-N 3.3Å; K659-Q661 PolarHBondContact O-N 2.89Å; Q661-F663 PolarHBondContact O-N 2.96Å; Q661-R664 WeakPolarHBondContact O-CA 3.42Å; Q661-R664 WeakPolarHBondContact O-CB 3.38Å; Q661-R664 PolarHBondContact O-N 3.29Å; Q661-L665 PolarHBondContact O-N 3.32Å |
| 662 | L | 75 | Confident | 68.9 | Low | 90 Ų | 90 | 124 Ų | 124 | 47% | 0.471 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -58.8 | -47.7 | 176.6 | -73.7 | 166.9 | 0 | 0 | 0 | 111.9 | R658 K659 R664 L665 E666 | R658-L662 HydrophobicContact CG-CD1 4.34Å; R658-L662 WeakPolarHBondContact O-CG 3.35Å; R658-L662 PolarHBondContact O-N 2.72Å; K659-L662 PolarHBondContact O-N 2.95Å; L662-R664 PolarHBondContact O-N 3.23Å; L662-L665 WeakPolarHBondContact O-CA 3.32Å; L662-L665 WeakPolarHBondContact O-CB 3.43Å; L662-L665 PolarHBondContact O-N 2.93Å; L662-E666 PolarHBondContact O-N 3.44Å |
| 663 | F | 75.7 | Confident | 67 | Low | 108 Ų | 108 | 122.7 Ų | 122.7 | 47% | 0.474 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -59.1 | -32.8 | 174.8 | -176 | -103.8 | 0 | 0 | 0 | 112.5 | K659 Q661 L665 Q667 | K659-F663 WeakPolarHBondContact O-CB 3.3Å; K659-F663 PolarHBondContact O-N 2.93Å; Q661-F663 PolarHBondContact O-N 2.96Å; F663-L665 VanDerWaalsContact C-N 3.35Å; F663-Q667 HydrophobicContact CD1-CG 4.2Å; F663-Q667 HydrophobicContact CE1-CG 3.88Å; F663-Q667 HydrophobicContact CE2-CG 4.31Å; F663-Q667 HydrophobicContact CZ-CG 3.94Å; F663-Q667 WeakPolarHBondContact O-CB 2.99Å; F663-Q667 WeakPolarHBondContact O-CG 3.35Å; F663-Q667 PolarHBondContact O-N 2.86Å; F663-Q667 VanDerWaalsContact O-N 3.11Å |
| 664 | R | 67.1 | Low | 65 | Low | 162 Ų | 162 | 124.9 Ų | 124.9 | 61% | 0.611 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -72.3 | -25.9 | 174.3 | -92.4 | -173.8 | -76.2 | 178.9 | -7.7 | 113.5 | H660 Q661 L662 F668 | H660-R664 PolarHBondContact O-NE 3.33Å; Q661-R664 WeakPolarHBondContact O-CA 3.42Å; Q661-R664 WeakPolarHBondContact O-CB 3.38Å; Q661-R664 PolarHBondContact O-N 3.29Å; L662-R664 PolarHBondContact O-N 3.23Å; R664-F668 WeakPolarHBondContact O-CB 3.5Å; R664-F668 PolarHBondContact O-N 3.14Å |
| 665 | L | 69 | Low | 63 | Low | 107 Ų | 107 | 126.6 Ų | 126.6 | 56% | 0.56 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -76.9 | -45.8 | 173.3 | -68 | 167.4 | 0 | 0 | 0 | 111 | Q661 L662 F663 Q667 F668 E669 | Q661-L665 PolarHBondContact O-N 3.32Å; L662-L665 WeakPolarHBondContact O-CA 3.32Å; L662-L665 WeakPolarHBondContact O-CB 3.43Å; L662-L665 PolarHBondContact O-N 2.93Å; F663-L665 VanDerWaalsContact C-N 3.35Å; L665-Q667 VanDerWaalsContact C-N 3.29Å; L665-Q667 PolarHBondContact O-N 2.98Å; L665-F668 WeakPolarHBondContact O-CA 3.31Å; L665-F668 WeakPolarHBondContact O-CB 3.42Å; L665-F668 PolarHBondContact O-N 3.31Å; L665-E669 PolarHBondContact O-N 3.43Å |
| 666 | E | 64.2 | Low | 61 | Low | 110 Ų | 110 | 128 Ų | 128 | 51% | 0.514 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -57.9 | -40.2 | 174.8 | -66.8 | 178 | 132.1 | 0 | 0 | 112.3 | L662 F668 R670 | L662-E666 PolarHBondContact O-N 3.44Å; E666-F668 VanDerWaalsContact C-N 3.28Å; E666-F668 PolarHBondContact O-N 3.1Å; E666-R670 WeakPolarHBondContact O-CB 3.47Å; E666-R670 WeakPolarHBondContact O-CG 3.25Å; E666-R670 PolarHBondContact O-N 2.96Å; E666-R670 VanDerWaalsContact O-N 3.07Å |
| 667 | Q | 66.8 | Low | 58.6 | Low | 79 Ų | 79 | 132.5 Ų | 132.5 | 37% | 0.369 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -70.6 | -22.2 | 174.7 | -66.2 | -67.9 | -34.1 | 0 | 0 | 112.8 | F663 L665 F671 | F663-Q667 HydrophobicContact CD1-CG 4.2Å; F663-Q667 HydrophobicContact CE1-CG 3.88Å; F663-Q667 HydrophobicContact CE2-CG 4.31Å; F663-Q667 HydrophobicContact CZ-CG 3.94Å; F663-Q667 WeakPolarHBondContact O-CB 2.99Å; F663-Q667 WeakPolarHBondContact O-CG 3.35Å; F663-Q667 PolarHBondContact O-N 2.86Å; F663-Q667 VanDerWaalsContact O-N 3.11Å; L665-Q667 VanDerWaalsContact C-N 3.29Å; L665-Q667 PolarHBondContact O-N 2.98Å; Q667-F671 WeakPolarHBondContact O-CD2 3.43Å |
| 668 | F | 58.9 | Low | 56.6 | Low | 136 Ų | 136 | 135 Ų | 135 | 60% | 0.596 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -80.1 | -45.3 | 175 | -161.5 | -95.2 | 0 | 0 | 0 | 110.9 | R664 L665 E666 R670 F671 C672 | R664-F668 WeakPolarHBondContact O-CB 3.5Å; R664-F668 PolarHBondContact O-N 3.14Å; L665-F668 WeakPolarHBondContact O-CA 3.31Å; L665-F668 WeakPolarHBondContact O-CB 3.42Å; L665-F668 PolarHBondContact O-N 3.31Å; E666-F668 VanDerWaalsContact C-N 3.28Å; E666-F668 PolarHBondContact O-N 3.1Å; F668-R670 PolarHBondContact O-N 2.86Å; F668-F671 PolarHBondContact O-N 3.35Å; F668-F671 VanDerWaalsContact O-N 3.1Å; F668-C672 WeakPolarHBondContact O-CB 3.44Å; F668-C672 PolarHBondContact O-N 2.99Å; F668-C672 PolarHBondContact O-SG 3.4Å |
| 669 | E | 51.7 | Low | 54.5 | Low | 142 Ų | 142 | 133.7 Ų | 133.7 | 66% | 0.664 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -60.5 | -43.7 | 175.8 | -69.7 | -179.6 | 146 | 0 | 0 | 111.7 | L665 F671 C672 | L665-E669 PolarHBondContact O-N 3.43Å; E669-F671 PolarHBondContact O-N 2.92Å; E669-F671 VanDerWaalsContact O-N 3.07Å; E669-C672 PolarHBondContact O-N 3.26Å |
| 670 | R | 53.9 | Low | 52.1 | Low | 204 Ų | 204 | 135.4 Ų | 135.4 | 77% | 0.77 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | -11.4 | 175.6 | -75 | -175.7 | 179 | -151.9 | 0.2 | 115.1 | E666 F668 | E666-R670 WeakPolarHBondContact O-CB 3.47Å; E666-R670 WeakPolarHBondContact O-CG 3.25Å; E666-R670 PolarHBondContact O-N 2.96Å; E666-R670 VanDerWaalsContact O-N 3.07Å; F668-R670 PolarHBondContact O-N 2.86Å |
| 671 | F | 49.1 | Very low | 49.7 | Very low | 176 Ų | 176 | 138.3 Ų | 138.3 | 77% | 0.772 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.9 | 1.9 | 174.7 | -91.7 | -88.1 | 0 | 0 | 0 | 113.8 | Q667 F668 E669 | Q667-F671 WeakPolarHBondContact O-CD2 3.43Å; F668-F671 PolarHBondContact O-N 3.35Å; F668-F671 VanDerWaalsContact O-N 3.1Å; E669-F671 PolarHBondContact O-N 2.92Å; E669-F671 VanDerWaalsContact O-N 3.07Å |
| 672 | C | 40.3 | Very low | 47.9 | Very low | 71 Ų | 71 | 138.1 Ų | 138.1 | 48% | 0.48 | 68% | 0.681 | S | S | . | * | trans | -120.2 | 40.5 | -170.7 | -68 | 0 | 0 | 0 | 0 | 114.8 | F668 E669 | F668-C672 WeakPolarHBondContact O-CB 3.44Å; F668-C672 PolarHBondContact O-N 2.99Å; F668-C672 PolarHBondContact O-SG 3.4Å; E669-C672 PolarHBondContact O-N 3.26Å | ||
| 673 | T | 37.3 | Very low | 45.8 | Very low | 122 Ų | 122 | 142.3 Ų | 142.3 | 75% | 0.748 | 70% | 0.702 | S | S | * | * | trans | -130.3 | 96.8 | 171.9 | 56.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 674 | P | 38.4 | Very low | 43.3 | Very low | 125 Ų | 125 | 144.8 Ų | 144.8 | 81% | 0.812 | 72% | 0.715 | S | S | * | * | trans | -77.3 | 159.7 | 164.7 | -11.2 | 29 | 0 | 0 | 0 | 112 | ||||
| 675 | Q | 32.1 | Very low | 41.5 | Very low | 189 Ų | 189 | 143 Ų | 143 | 88% | 0.883 | 71% | 0.714 | S | S | * | * | trans | -79.5 | 146.6 | -175.9 | -61.8 | 171.6 | -30.4 | 0 | 0 | 113.6 | ||||
| 676 | C | 32.2 | Very low | 39.4 | Very low | 130 Ų | 130 | 145.1 Ų | 145.1 | 88% | 0.878 | 72% | 0.718 | S | S | * | * | -161.1 | 118.5 | 129.8 | -99.7 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 677 | K | 28.7 | Very low | 37.5 | Very low | 207 Ų | 207 | 150 Ų | 150 | 90% | 0.9 | 73% | 0.733 | S | S | * | * | trans | -116 | 134.2 | 159 | -75 | -174.2 | 176.8 | -175.4 | 0 | 106.9 | ||||
| 678 | L | 35.1 | Very low | 35.8 | Very low | 155 Ų | 155 | 152.7 Ų | 152.7 | 81% | 0.812 | 76% | 0.755 | S | S | * | * | trans | -149.4 | 117 | 164.5 | -100.5 | 166.9 | 0 | 0 | 0 | 110.8 | ||||
| 679 | D | 34.2 | Very low | 34.2 | Very low | 141 Ų | 141 | 153.5 Ų | 153.5 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | trans | 55.6 | 85.3 | 145.9 | -57.2 | -6 | 0 | 0 | 0 | 122.4 | ||||
| 680 | Q | 30.8 | Very low | 33.2 | Very low | 154 Ų | 154 | 152.1 Ų | 152.1 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | 22.9 | 117.7 | 116.4 | -67.5 | -169.8 | 33.9 | 0 | 0 | 120.1 | |||||
| 681 | K | 30.6 | Very low | 31.8 | Very low | 180 Ų | 180 | 147.2 Ų | 147.2 | 78% | 0.783 | 77% | 0.766 | S | S | * | * | 142.7 | 147.9 | 98.6 | -104.2 | 164.8 | 178.8 | 158.7 | 0 | 114.6 | |||||
| 682 | P | 34.5 | Very low | 30.8 | Very low | 113 Ų | 113 | 147.3 Ų | 147.3 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | trans | -103.8 | 157 | -177.6 | 39.6 | -33.8 | 0 | 0 | 0 | 114.5 | ||||
| 683 | I | 30.5 | Very low | 30.3 | Very low | 177 Ų | 177 | 149.6 Ų | 149.6 | 91% | 0.908 | 79% | 0.786 | S | S | * | * | trans | -142.4 | 150.3 | 158.9 | -62.2 | -174.9 | 0 | 0 | 0 | 107.9 | ||||
| 684 | E | 24.8 | Very low | 29.8 | Very low | 161 Ų | 161 | 153.5 Ų | 153.5 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | trans | -89.7 | 179.9 | -169 | -52.7 | 176.9 | 70.1 | 0 | 0 | 116.7 | ||||
| 685 | H | 28.6 | Very low | 29.8 | Very low | 125 Ų | 125 | 152.7 Ų | 152.7 | 58% | 0.579 | 79% | 0.787 | S | S | * | * | trans | 98.2 | 101.6 | 141.9 | -85.3 | 23.2 | 0 | 0 | 0 | 121 | ||||
| 686 | K | 25.2 | Very low | 29.4 | Very low | 151 Ų | 151 | 148.5 Ų | 148.5 | 66% | 0.657 | 78% | 0.778 | S | S | * | * | 91.1 | 128.2 | 119.5 | -78.8 | 172.1 | 177.6 | 152.2 | 0 | 122.2 | |||||
| 687 | Y | 24.9 | Very low | 29.1 | Very low | 212 Ų | 212 | 149 Ų | 149 | 83% | 0.831 | 77% | 0.772 | S | S | * | * | trans | 63.6 | 119.6 | 154.9 | -70 | -66.2 | 0 | 0 | 0 | 120.4 | ||||
| 688 | V | 30 | Very low | 28.9 | Very low | 135 Ų | 135 | 145.7 Ų | 145.7 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | 173 | 132.6 | 105.4 | 156.4 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 689 | N | 25.3 | Very low | 28.4 | Very low | 154 Ų | 154 | 144.9 Ų | 144.9 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | trans | -89 | 159.3 | 165.7 | -81.6 | -21.2 | 0 | 0 | 0 | 109.5 | ||||
| 690 | P | 31.9 | Very low | 27.9 | Very low | 113 Ų | 113 | 144.4 Ų | 144.4 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | cis | -149.5 | -171.5 | 34.2 | 44.9 | -24.1 | 0 | 0 | 0 | 117.5 | ||||
| 691 | S | 24.3 | Very low | 27.8 | Very low | 101 Ų | 101 | 146.4 Ų | 146.4 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | trans | -3.3 | 137.6 | 154.4 | 59.2 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 692 | E | 28.1 | Very low | 27.6 | Very low | 177 Ų | 177 | 144.6 Ų | 144.6 | 83% | 0.827 | 76% | 0.755 | S | S | * | * | -177.7 | 153.2 | 100.6 | -103 | -169.6 | 175.5 | 0 | 0 | 116 | |||||
| 693 | S | 29.5 | Very low | 27.5 | Very low | 120 Ų | 120 | 145.3 Ų | 145.3 | 84% | 0.839 | 76% | 0.76 | S | S | * | * | trans | 75.2 | 174.4 | 155.7 | 81.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 694 | K | 27.2 | Very low | 27.2 | Very low | 203 Ų | 203 | 143.7 Ų | 143.7 | 88% | 0.883 | 75% | 0.748 | S | S | * | * | trans | -135.5 | 172.7 | -160.8 | -110.5 | -169.9 | 177.4 | 176.9 | 0 | 111.4 | ||||
| 695 | P | 36.9 | Very low | 27.8 | Very low | 109 Ų | 109 | 140.7 Ų | 140.7 | 71% | 0.708 | 74% | 0.743 | S | S | * | * | trans | -92.4 | 165.5 | -150.4 | 38.4 | -40.5 | 0 | 0 | 0 | 115.4 | ||||
| 696 | S | 23.9 | Very low | 27.7 | Very low | 100 Ų | 100 | 141.7 Ų | 141.7 | 70% | 0.699 | 75% | 0.752 | S | S | * | * | 178.7 | 156.9 | 112.3 | -92.9 | 0 | 0 | 0 | 0 | 113 | |||||
| 697 | D | 25.6 | Very low | 27.9 | Very low | 140 Ų | 140 | 142.7 Ų | 142.7 | 75% | 0.749 | 76% | 0.759 | S | S | * | * | trans | 70.3 | 130.1 | 146.6 | -74 | -23.2 | 0 | 0 | 0 | 123.4 | ||||
| 698 | I | 24.7 | Very low | 28 | Very low | 139 Ų | 139 | 136.8 Ų | 136.8 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | 91.7 | 108.9 | 127.5 | -76.3 | 173.7 | 0 | 0 | 0 | 121.1 | |||||
| 699 | I | 25.4 | Very low | 28.2 | Very low | 138 Ų | 138 | 135.7 Ų | 135.7 | 71% | 0.708 | 75% | 0.749 | S | S | * | * | trans | 95.4 | 108.7 | 133.6 | -79.5 | -178.1 | 0 | 0 | 0 | 122.7 | ||||
| 700 | I | 23.8 | Very low | 28.4 | Very low | 130 Ų | 130 | 132.9 Ų | 132.9 | 67% | 0.667 | 74% | 0.742 | S | S | * | * | trans | 55.7 | 114.1 | 131 | -51.7 | 173.6 | 0 | 0 | 0 | 120.1 | ||||
| 701 | K | 28.6 | Very low | 28.5 | Very low | 196 Ų | 196 | 134.2 Ų | 134.2 | 85% | 0.852 | 74% | 0.742 | S | S | * | * | -167.2 | 149.2 | 102.3 | -121.1 | 114.9 | -171.4 | 178.6 | 0 | 113.5 | |||||
| 702 | E | 26.8 | Very low | 28.8 | Very low | 142 Ų | 142 | 135 Ų | 135 | 66% | 0.664 | 75% | 0.747 | S | S | * | * | trans | -76 | 169.2 | 163 | -60.5 | 175.8 | 97.7 | 0 | 0 | 110.8 | Q704 | E702-Q704 WeakPolarHBondContact OE1-CG 3.34Å; E702-Q704 PolarHBondContact OE1-NE2 3.24Å | ||
| 703 | P | 31.4 | Very low | 29 | Very low | 129 Ų | 129 | 133.7 Ų | 133.7 | 84% | 0.838 | 74% | 0.743 | S | S | * | * | -138 | 144.3 | 93.9 | 37.9 | -26.2 | 0 | 0 | 0 | 116.7 | |||||
| 704 | Q | 24.7 | Very low | 29.3 | Very low | 142 Ų | 142 | 133.2 Ų | 133.2 | 66% | 0.664 | 74% | 0.735 | S | S | * | * | trans | -72.5 | -171.4 | 159.6 | -57.9 | -83.1 | -19.9 | 0 | 0 | 110.6 | E702 | E702-Q704 WeakPolarHBondContact OE1-CG 3.34Å; E702-Q704 PolarHBondContact OE1-NE2 3.24Å | ||
| 705 | P | 36.6 | Very low | 29.5 | Very low | 99 Ų | 99 | 131.4 Ų | 131.4 | 64% | 0.643 | 73% | 0.734 | S | S | * | * | -129.1 | -164 | -55.2 | 37.5 | -20.6 | 0 | 0 | 0 | 111 | |||||
| 706 | L | 27.5 | Very low | 29.2 | Very low | 146 Ų | 146 | 129.9 Ų | 129.9 | 76% | 0.764 | 73% | 0.73 | S | S | * | * | trans | 177.3 | 112.1 | 140.4 | -92 | 155.3 | 0 | 0 | 0 | 107 | ||||
| 707 | E | 28.5 | Very low | 29.7 | Very low | 172 Ų | 172 | 134.2 Ų | 134.2 | 80% | 0.804 | 74% | 0.737 | S | S | * | * | 59 | 130.3 | 90.5 | -67.1 | -173 | -169.4 | 0 | 0 | 114.7 | |||||
| 708 | A | 26.8 | Very low | 29.9 | Very low | 88 Ų | 88 | 134.6 Ų | 134.6 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | cis | -168.3 | -164.9 | -7.7 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 709 | P | 34.4 | Very low | 30.1 | Very low | 111 Ų | 111 | 133.6 Ų | 133.6 | 72% | 0.721 | 73% | 0.734 | S | S | * | * | cis | -132.9 | 172.6 | -14.3 | 41.6 | -25.1 | 0 | 0 | 0 | 115.4 | ||||
| 710 | S | 30.5 | Very low | 30.2 | Very low | 96 Ų | 96 | 136.2 Ų | 136.2 | 67% | 0.671 | 74% | 0.743 | S | S | * | * | trans | 37.2 | 127.4 | 147.2 | 66.5 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 711 | L | 34 | Very low | 30.4 | Very low | 141 Ų | 141 | 137.5 Ų | 137.5 | 74% | 0.738 | 75% | 0.748 | S | S | * | * | -150.7 | 123.6 | 102.1 | -140.8 | 80.6 | 0 | 0 | 0 | 113.4 | M713 | L711-M713 VanDerWaalsContact C-N 3.3Å; L711-M713 HydrophobicContact CD2-CB 4.38Å; L711-M713 HydrophobicContact CD2-SD 4.23Å; L711-M713 PolarHBondContact O-N 3.46Å | |||
| 712 | S | 29.9 | Very low | 30.6 | Very low | 117 Ų | 117 | 134.4 Ų | 134.4 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | 59.9 | -176.3 | 55.6 | 0 | 0 | 0 | 0 | 112.9 | ||
| 713 | M | 33.4 | Very low | 30.7 | Very low | 149 Ų | 149 | 133.4 Ų | 133.4 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.3 | -9.6 | -174 | -110.7 | 177.9 | 67.4 | 0 | 0 | 116.8 | L711 | L711-M713 VanDerWaalsContact C-N 3.3Å; L711-M713 HydrophobicContact CD2-CB 4.38Å; L711-M713 HydrophobicContact CD2-SD 4.23Å; L711-M713 PolarHBondContact O-N 3.46Å |
| 714 | V | 35.3 | Very low | 30.4 | Very low | 110 Ų | 110 | 135.2 Ų | 135.2 | 67% | 0.667 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -99.8 | -32.6 | 176 | -174.4 | 0 | 0 | 0 | 0 | 111.9 | A716 | V714-A716 PolarHBondContact O-N 2.96Š|
| 715 | L | 30.2 | Very low | 30.5 | Very low | 166 Ų | 166 | 133.4 Ų | 133.4 | 87% | 0.869 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | 40.7 | 171.5 | -76.3 | 169.3 | 0 | 0 | 0 | 113.2 | ||
| 716 | A | 31.7 | Very low | 30 | Very low | 76 Ų | 76 | 137.2 Ų | 137.2 | 63% | 0.628 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.2 | 7.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | V714 | V714-A716 PolarHBondContact O-N 2.96Š|
| 717 | K | 33.5 | Very low | 29.9 | Very low | 191 Ų | 191 | 136 Ų | 136 | 83% | 0.83 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -148.1 | 14.6 | 179.3 | -122.9 | 162.3 | -170.9 | 166.6 | 0 | 116.6 | ||
| 718 | L | 29.6 | Very low | 29.9 | Very low | 148 Ų | 148 | 134.5 Ų | 134.5 | 78% | 0.775 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -122 | 14.6 | 173.6 | -77.7 | 167 | 0 | 0 | 0 | 112.8 | ||
| 719 | N | 30.1 | Very low | 29.9 | Very low | 118 Ų | 118 | 137.5 Ų | 137.5 | 63% | 0.631 | 75% | 0.754 | S | S | * | * | trans | -148.4 | 38.7 | -179.7 | -108.7 | -23.3 | 0 | 0 | 0 | 114.4 | M721 | N719-M721 PolarHBondContact O-N 3.26Å; N719-M721 PolarHBondContact OD1-O 3.03Å | ||
| 720 | E | 27.4 | Very low | 29.4 | Very low | 194 Ų | 194 | 141.4 Ų | 141.4 | 91% | 0.907 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -85.2 | 35.3 | 154 | -76.7 | -166.1 | 144.4 | 0 | 0 | 111.4 | ||
| 721 | M | 28.6 | Very low | 29.1 | Very low | 156 Ų | 156 | 142.8 Ų | 142.8 | 77% | 0.768 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -143.8 | 103.7 | 163.5 | -77.8 | -155.3 | 127.2 | 0 | 0 | 109.1 | N719 T723 | N719-M721 PolarHBondContact O-N 3.26Å; N719-M721 PolarHBondContact OD1-O 3.03Å; M721-T723 PolarHBondContact O-N 2.92Å |
| 722 | P | 32.8 | Very low | 28.7 | Very low | 132 Ų | 132 | 141.7 Ų | 141.7 | 86% | 0.857 | 75% | 0.75 | S | S | * | * | trans | -70.2 | 130.4 | -177.2 | 27.7 | -33.7 | 0 | 0 | 0 | 111.3 | ||||
| 723 | T | 27.6 | Very low | 28.5 | Very low | 121 Ų | 121 | 142.9 Ų | 142.9 | 74% | 0.742 | 75% | 0.747 | S | S | * | * | trans | -118.5 | 122.7 | 168.1 | 48 | 0 | 0 | 0 | 0 | 109.5 | M721 | M721-T723 PolarHBondContact O-N 2.92Š| ||
| 724 | L | 26.3 | Very low | 28.2 | Very low | 166 Ų | 166 | 140.6 Ų | 140.6 | 87% | 0.869 | 75% | 0.746 | S | S | * | * | trans | -139.4 | 105.4 | 163 | -93.2 | -180 | 0 | 0 | 0 | 111.8 | ||||
| 725 | T | 26.1 | Very low | 27.8 | Very low | 105 Ų | 105 | 142.1 Ų | 142.1 | 64% | 0.644 | 75% | 0.75 | S | S | * | * | trans | -35.2 | 158.4 | 138.9 | 50.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 726 | K | 26.3 | Very low | 27.7 | Very low | 179 Ų | 179 | 141.1 Ų | 141.1 | 78% | 0.778 | 74% | 0.74 | S | S | * | * | cis | -175.2 | 157.6 | 1.8 | -115.3 | 171.4 | -178.3 | 179.5 | 0 | 107.3 | ||||
| 727 | V | 24.6 | Very low | 27.5 | Very low | 120 Ų | 120 | 143.7 Ų | 143.7 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | trans | 67.9 | 137.5 | 147.4 | 169.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 728 | D | 28.2 | Very low | 27.2 | Very low | 140 Ų | 140 | 140 Ų | 140 | 75% | 0.749 | 73% | 0.732 | S | S | * | * | cis | -146.9 | -169.7 | 47.7 | -137 | -38.3 | 0 | 0 | 0 | 116.1 | ||||
| 729 | H | 27.2 | Very low | 27.2 | Very low | 151 Ų | 151 | 139.3 Ų | 139.3 | 70% | 0.699 | 73% | 0.725 | S | S | * | * | trans | -74.9 | 161.5 | -159.8 | -85.6 | -40.5 | 0 | 0 | 0 | 121.3 | ||||
| 730 | Y | 24.4 | Very low | 27 | Very low | 193 Ų | 193 | 139.3 Ų | 139.3 | 76% | 0.757 | 73% | 0.725 | S | S | * | * | trans | 70.9 | 117.2 | 144.2 | -80.2 | -61 | 0 | 0 | 0 | 123.5 | ||||
| 731 | N | 23.9 | Very low | 27.2 | Very low | 126 Ų | 126 | 136.8 Ų | 136.8 | 67% | 0.674 | 72% | 0.715 | S | S | * | * | trans | 75.3 | 144.9 | 136.4 | -92.8 | 42.2 | 0 | 0 | 0 | 125 | ||||
| 732 | D | 25.6 | Very low | 27.3 | Very low | 117 Ų | 117 | 135.5 Ų | 135.5 | 63% | 0.626 | 71% | 0.711 | S | S | * | * | trans | 59.5 | 98.4 | 151.5 | -65.1 | -50.1 | 0 | 0 | 0 | 122.2 | ||||
| 733 | N | 25.7 | Very low | 27.5 | Very low | 143 Ų | 143 | 136 Ų | 136 | 77% | 0.765 | 71% | 0.707 | S | S | * | * | 52 | 152.3 | 115.4 | -68.2 | -45.9 | 0 | 0 | 0 | 122.4 | |||||
| 734 | S | 28.2 | Very low | 27.7 | Very low | 100 Ų | 100 | 133.1 Ų | 133.1 | 70% | 0.699 | 70% | 0.701 | S | S | * | * | trans | 79.9 | 112.3 | 169.8 | -60.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 735 | L | 26.8 | Very low | 28 | Very low | 143 Ų | 143 | 133.1 Ų | 133.1 | 75% | 0.749 | 70% | 0.702 | S | S | * | * | 75.7 | 139.7 | 82.7 | -71.3 | 167.7 | 0 | 0 | 0 | 111.9 | |||||
| 736 | E | 27.2 | Very low | 28.2 | Very low | 144 Ų | 144 | 130.9 Ų | 130.9 | 67% | 0.673 | 70% | 0.7 | S | S | * | * | cis | -174.4 | 172.8 | -13.7 | -162.7 | 174.6 | -133.4 | 0 | 0 | 107.2 | ||||
| 737 | L | 27.4 | Very low | 28.4 | Very low | 130 Ų | 130 | 132 Ų | 132 | 68% | 0.681 | 71% | 0.708 | S | S | * | * | trans | 67.9 | 158.1 | 164.9 | -48 | 179.4 | 0 | 0 | 0 | 114.4 | ||||
| 738 | D | 26.9 | Very low | 28.6 | Very low | 114 Ų | 114 | 129.6 Ų | 129.6 | 61% | 0.61 | 71% | 0.706 | S | S | * | * | cis | -170.9 | 175.3 | -18.8 | -106.1 | -5.1 | 0 | 0 | 0 | 106.7 | ||||
| 739 | Q | 29.3 | Very low | 28.7 | Very low | 134 Ų | 134 | 130.3 Ų | 130.3 | 63% | 0.626 | 71% | 0.705 | S | S | * | * | cis | -165.4 | 175.8 | 7.1 | -130.9 | 166.5 | 54.6 | 0 | 0 | 108.5 | ||||
| 740 | N | 27.4 | Very low | 28.8 | Very low | 117 Ų | 117 | 130.4 Ų | 130.4 | 63% | 0.626 | 71% | 0.706 | S | S | * | * | trans | 68.9 | 147.4 | 139.8 | -73 | -3.9 | 0 | 0 | 0 | 120.4 | ||||
| 741 | M | 30 | Very low | 29 | Very low | 141 Ų | 141 | 129 Ų | 129 | 70% | 0.695 | 71% | 0.707 | S | S | * | * | cis | -142.1 | 174.4 | -2.9 | -56 | -172.2 | 158.3 | 0 | 0 | 111.3 | ||||
| 742 | D | 31.5 | Very low | 29.3 | Very low | 130 Ų | 130 | 130.2 Ų | 130.2 | 70% | 0.695 | 71% | 0.708 | S | S | * | * | trans | 56.2 | 145 | 138.3 | -59.5 | -7.6 | 0 | 0 | 0 | 121.1 | ||||
| 743 | D | 36.1 | Very low | 29.4 | Very low | 143 Ų | 143 | 128.8 Ų | 128.8 | 77% | 0.765 | 71% | 0.707 | S | S | * | * | cis | -130.2 | 162.6 | -3.1 | -82.6 | -49.3 | 0 | 0 | 0 | 108.1 | ||||
| 744 | G | 31.9 | Very low | 29.6 | Very low | 59 Ų | 59 | 127.1 Ų | 127.1 | 61% | 0.608 | 71% | 0.707 | S | S | * | * | 75.4 | 134.6 | 61 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 745 | D | 32.9 | Very low | 29.6 | Very low | 167 Ų | 167 | 126.3 Ų | 126.3 | 89% | 0.893 | 71% | 0.706 | S | S | * | * | cis | -155.1 | 176.1 | -2.6 | -79 | -52.1 | 0 | 0 | 0 | 106.6 | ||||
| 746 | G | 31.6 | Very low | 29.9 | Very low | 58 Ų | 58 | 126.5 Ų | 126.5 | 60% | 0.598 | 71% | 0.706 | S | S | * | * | cis | 155.5 | 163.2 | 2.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 747 | E | 28.9 | Very low | 29.8 | Very low | 203 Ų | 203 | 124.5 Ų | 124.5 | 95% | 0.949 | 70% | 0.704 | S | S | * | * | trans | 58.3 | 159.7 | 166.5 | -65.5 | 153.4 | -165.5 | 0 | 0 | 116.4 | ||||
| 748 | G | 29.9 | Very low | 29.9 | Very low | 68 Ų | 68 | 125.4 Ų | 125.4 | 70% | 0.701 | 71% | 0.705 | S | S | * | * | cis | -169.3 | 172.5 | -2.3 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 749 | E | 30.2 | Very low | 30 | Very low | 155 Ų | 155 | 126.3 Ų | 126.3 | 72% | 0.724 | 71% | 0.71 | S | S | * | * | cis | -158.9 | 154.7 | 4.5 | -100 | 155.3 | 173.2 | 0 | 0 | 106.2 | ||||
| 750 | E | 28.9 | Very low | 30 | Very low | 153 Ų | 153 | 127.2 Ų | 127.2 | 72% | 0.715 | 72% | 0.719 | S | S | * | * | trans | 52.9 | 157 | 133.7 | -60.6 | 168.2 | 177.9 | 0 | 0 | 120.2 | ||||
| 751 | E | 29.2 | Very low | 30.6 | Very low | 165 Ų | 165 | 125.9 Ų | 125.9 | 77% | 0.771 | 72% | 0.717 | S | S | * | * | cis | -159.9 | 168.6 | -8.7 | -118.8 | 175 | 176 | 0 | 0 | 105.5 | ||||
| 752 | E | 30.3 | Very low | 30.5 | Very low | 151 Ų | 151 | 125.8 Ų | 125.8 | 71% | 0.706 | 72% | 0.719 | S | S | * | * | cis | -128.8 | 155 | 6.2 | -99.9 | -167.6 | 90.5 | 0 | 0 | 108.4 | ||||
| 753 | S | 28.2 | Very low | 30.5 | Very low | 86 Ų | 86 | 124.2 Ų | 124.2 | 60% | 0.601 | 72% | 0.718 | S | S | * | * | 56.3 | 140.9 | 86.8 | 129.5 | 0 | 0 | 0 | 0 | 114 | |||||
| 754 | S | 29.7 | Very low | 30 | Very low | 108 Ų | 108 | 124.7 Ų | 124.7 | 76% | 0.755 | 72% | 0.721 | S | S | * | * | cis | -171.7 | 168.7 | -2.4 | 39.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 755 | A | 28.3 | Very low | 29.9 | Very low | 83 Ų | 83 | 127.8 Ų | 127.8 | 69% | 0.686 | 73% | 0.732 | S | S | * | * | cis | -170.1 | -153.6 | -24.3 | 0 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 756 | I | 31.2 | Very low | 29.6 | Very low | 147 Ų | 147 | 124.7 Ų | 124.7 | 75% | 0.754 | 72% | 0.723 | S | S | * | * | trans | 69.8 | 99 | 167.3 | -48.3 | 172.4 | 0 | 0 | 0 | 112.3 | ||||
| 757 | T | 25.9 | Very low | 29.4 | Very low | 102 Ų | 102 | 126.8 Ų | 126.8 | 63% | 0.626 | 73% | 0.729 | S | S | * | * | 61.6 | 155 | 63.7 | 81.9 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 758 | E | 29 | Very low | 29.4 | Very low | 149 Ų | 149 | 122.5 Ų | 122.5 | 70% | 0.696 | 72% | 0.716 | S | S | * | * | cis | -153.7 | 171.5 | 17.1 | -132.4 | 129.9 | -110.6 | 0 | 0 | 109.9 | ||||
| 759 | D | 30.5 | Very low | 29.3 | Very low | 133 Ų | 133 | 127.9 Ų | 127.9 | 71% | 0.711 | 72% | 0.723 | S | S | * | * | trans | 65.3 | 101.1 | 143.6 | -68.1 | 3.4 | 0 | 0 | 0 | 125.1 | ||||
| 760 | D | 28.5 | Very low | 29.4 | Very low | 153 Ų | 153 | 126 Ų | 126 | 82% | 0.818 | 73% | 0.726 | S | S | * | * | 86.7 | 155.6 | 108.3 | -102.6 | 28.3 | 0 | 0 | 0 | 124.4 | |||||
| 761 | P | 39.3 | Very low | 29.4 | Very low | 90 Ų | 90 | 123.5 Ų | 123.5 | 58% | 0.584 | 73% | 0.726 | S | S | * | * | trans | -126.8 | -172.5 | -159.8 | 45.5 | -31.6 | 0 | 0 | 0 | 114.4 | ||||
| 762 | N | 28.6 | Very low | 29.5 | Very low | 138 Ų | 138 | 123 Ų | 123 | 74% | 0.738 | 73% | 0.729 | S | S | * | * | 170.1 | 163.1 | 122.5 | -99.5 | -68.1 | 0 | 0 | 0 | 115.3 | |||||
| 763 | S | 30.8 | Very low | 29.4 | Very low | 97 Ų | 97 | 123.8 Ų | 123.8 | 68% | 0.678 | 74% | 0.736 | S | S | * | * | trans | 61.1 | 109 | 161.2 | 59.3 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 764 | N | 26.5 | Very low | 29.4 | Very low | 154 Ų | 154 | 126.3 Ų | 126.3 | 82% | 0.824 | 74% | 0.738 | S | S | * | * | 83.3 | 103.1 | 66.8 | -74.1 | -21.3 | 0 | 0 | 0 | 114.1 | |||||
| 765 | C | 28.8 | Very low | 29.3 | Very low | 124 Ų | 124 | 130.1 Ų | 130.1 | 84% | 0.838 | 74% | 0.743 | S | S | * | * | -161.5 | 150.5 | 107 | -112.4 | 0 | 0 | 0 | 0 | 115 | |||||
| 766 | S | 27.5 | Very low | 29.4 | Very low | 101 Ų | 101 | 135.9 Ų | 135.9 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | trans | -39.2 | 157.7 | 157.7 | 45.2 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 767 | S | 27.2 | Very low | 29.3 | Very low | 103 Ų | 103 | 132.8 Ų | 132.8 | 72% | 0.72 | 74% | 0.743 | S | S | * | * | cis | -179 | -163.4 | -5.8 | 54.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 768 | V | 28.6 | Very low | 29.5 | Very low | 113 Ų | 113 | 133.5 Ų | 133.5 | 69% | 0.685 | 74% | 0.743 | S | S | * | * | trans | 87.6 | 113.2 | 151.3 | 157.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 769 | H | 28.8 | Very low | 29.7 | Very low | 181 Ų | 181 | 130.4 Ų | 130.4 | 84% | 0.838 | 74% | 0.743 | S | S | * | * | trans | 73.7 | 149.1 | 158.3 | -68.8 | 19.1 | 0 | 0 | 0 | 118.4 | ||||
| 770 | S | 31.2 | Very low | 30 | Very low | 115 Ų | 115 | 131.1 Ų | 131.1 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | cis | -134.1 | 159.6 | 0.8 | 79.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 771 | S | 30.2 | Very low | 30.3 | Very low | 100 Ų | 100 | 133.1 Ų | 133.1 | 70% | 0.699 | 74% | 0.742 | S | S | * | * | trans | -139.2 | 120.3 | 176.3 | 55.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 772 | N | 29.8 | Very low | 30.2 | Very low | 156 Ų | 156 | 137.2 Ų | 137.2 | 83% | 0.834 | 75% | 0.75 | S | S | * | * | trans | 169.7 | 77.2 | 140.1 | -88.8 | -24.6 | 0 | 0 | 0 | 114.1 | ||||
| 773 | I | 28.3 | Very low | 30.6 | Very low | 166 Ų | 166 | 140.4 Ų | 140.4 | 85% | 0.851 | 75% | 0.752 | S | S | * | * | trans | -139.3 | 77.8 | 154.6 | -51.1 | 179.1 | 0 | 0 | 0 | 109.8 | ||||
| 774 | H | 29.4 | Very low | 30.7 | Very low | 139 Ų | 139 | 143.1 Ų | 143.1 | 64% | 0.644 | 75% | 0.751 | S | S | * | * | trans | -153.6 | 26.8 | 168.9 | -126.5 | 69.1 | 0 | 0 | 0 | 119.2 | K776 | H774-K776 PolarHBondContact O-N 2.91Š| ||
| 775 | H | 27.6 | Very low | 31 | Very low | 189 Ų | 189 | 140.3 Ų | 140.3 | 88% | 0.875 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | 65.7 | 175.6 | -104.1 | -66.8 | 0 | 0 | 0 | 114.5 | ||
| 776 | K | 29.5 | Very low | 31.2 | Very low | 204 Ų | 204 | 139.5 Ų | 139.5 | 89% | 0.887 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -159.5 | -1 | 156.7 | -113.5 | 155.9 | -171.6 | 173.5 | 0 | 117.2 | H774 | H774-K776 PolarHBondContact O-N 2.91Š|
| 777 | C | 29.1 | Very low | 31.7 | Very low | 82 Ų | 82 | 140.3 Ų | 140.3 | 55% | 0.554 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -99.9 | 0.7 | -174.7 | -69.5 | 0 | 0 | 0 | 0 | 116.7 | ||
| 778 | N | 29.6 | Very low | 32 | Very low | 116 Ų | 116 | 141.8 Ų | 141.8 | 62% | 0.62 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -90.1 | -1.3 | -173.3 | -85.4 | -22.3 | 0 | 0 | 0 | 116.2 | ||
| 779 | A | 33.5 | Very low | 32.2 | Very low | 85 Ų | 85 | 146.7 Ų | 146.7 | 70% | 0.702 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -84.6 | -23.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 780 | I | 36.7 | Very low | 32.4 | Very low | 147 Ų | 147 | 147.8 Ų | 147.8 | 75% | 0.754 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -100.4 | -31.4 | -175.5 | -65.9 | 177.5 | 0 | 0 | 0 | 112 | K782 R783 | I780-K782 VanDerWaalsContact C-N 3.35Å; I780-K782 PolarHBondContact O-N 2.87Å; I780-R783 PolarHBondContact O-N 3.31Å; I780-R783 VanDerWaalsContact O-N 3.16Å |
| 781 | R | 36.1 | Very low | 32.5 | Very low | 196 Ų | 196 | 149.8 Ų | 149.8 | 74% | 0.74 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -61.8 | -39.9 | -179.2 | -142.4 | 168.4 | -167.6 | 139.1 | 1.8 | 112.4 | R783 K784 | R781-R783 PolarHBondContact O-N 2.9Å; R781-R783 VanDerWaalsContact O-N 3.1Å; R781-K784 PolarHBondContact O-N 2.94Å |
| 782 | K | 36.7 | Very low | 32.3 | Very low | 176 Ų | 176 | 152.6 Ų | 152.6 | 77% | 0.765 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -68.2 | -3 | 177.3 | -73.6 | -169.6 | 173.7 | -174.7 | 0 | 115.8 | I780 | I780-K782 VanDerWaalsContact C-N 3.35Å; I780-K782 PolarHBondContact O-N 2.87Å |
| 783 | R | 35.8 | Very low | 32.3 | Very low | 205 Ų | 205 | 149.7 Ų | 149.7 | 77% | 0.774 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -101.8 | -15.3 | 178.4 | -130.4 | 174 | -174.6 | 128.9 | -1.7 | 114.4 | I780 R781 | I780-R783 PolarHBondContact O-N 3.31Å; I780-R783 VanDerWaalsContact O-N 3.16Å; R781-R783 PolarHBondContact O-N 2.9Å; R781-R783 VanDerWaalsContact O-N 3.1Å |
| 784 | K | 34.1 | Very low | 32.4 | Very low | 153 Ų | 153 | 151.8 Ų | 151.8 | 67% | 0.665 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -81.3 | -43.2 | 176.2 | -165.9 | 173 | -178.7 | -179.8 | 0 | 111.7 | R781 N786 I787 | R781-K784 PolarHBondContact O-N 2.94Å; K784-N786 PolarHBondContact O-N 2.62Å; K784-I787 PolarHBondContact O-N 2.93Å |
| 785 | D | 32.6 | Very low | 32.5 | Very low | 95 Ų | 95 | 150.1 Ų | 150.1 | 51% | 0.508 | 73% | 0.734 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.5 | -9.9 | -173.4 | -52.3 | -27.4 | 0 | 0 | 0 | 113.7 | R789 | D785-R789 WeakPolarHBondContact O-CG 3.42Š|
| 786 | N | 33.4 | Very low | 32.5 | Very low | 107 Ų | 107 | 147.8 Ų | 147.8 | 57% | 0.572 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | -2.8 | 179.5 | -147.1 | -4.1 | 0 | 0 | 0 | 113.6 | K784 | K784-N786 PolarHBondContact O-N 2.62Š|
| 787 | I | 38.6 | Very low | 32.6 | Very low | 119 Ų | 119 | 144.9 Ų | 144.9 | 61% | 0.61 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | -41.2 | 168.5 | -65.4 | 175.6 | 0 | 0 | 0 | 109.4 | K784 R789 R790 | K784-I787 PolarHBondContact O-N 2.93Å; I787-R789 PolarHBondContact O-N 3.28Å; I787-R789 VanDerWaalsContact O-N 3.09Å; I787-R790 PolarHBondContact O-N 3.08Å; I787-R790 VanDerWaalsContact O-N 3.09Å |
| 788 | L | 32.2 | Very low | 32.6 | Very low | 133 Ų | 133 | 147.5 Ų | 147.5 | 70% | 0.696 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | -3.8 | 174.9 | -85.6 | 159.8 | 0 | 0 | 0 | 115 | ||
| 789 | R | 33.1 | Very low | 32.4 | Very low | 216 Ų | 216 | 152.7 Ų | 152.7 | 82% | 0.815 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.6 | 9.3 | 171.3 | -71.4 | -174 | 179.4 | -153.8 | 0.1 | 114.4 | D785 I787 | D785-R789 WeakPolarHBondContact O-CG 3.42Å; I787-R789 PolarHBondContact O-N 3.28Å; I787-R789 VanDerWaalsContact O-N 3.09Å |
| 790 | R | 33.9 | Very low | 32 | Very low | 205 Ų | 205 | 153.7 Ų | 153.7 | 77% | 0.774 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -124.3 | 4.6 | -176.8 | -84.2 | -174 | 167 | -168.3 | -4.7 | 116 | I787 | I787-R790 PolarHBondContact O-N 3.08Å; I787-R790 VanDerWaalsContact O-N 3.09Å |
| 791 | L | 31.7 | Very low | 31.6 | Very low | 156 Ų | 156 | 155.3 Ų | 155.3 | 82% | 0.817 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -132.7 | 34.1 | 179 | -72.9 | 175.3 | 0 | 0 | 0 | 113.3 | ||
| 792 | N | 27.1 | Very low | 31.1 | Very low | 159 Ų | 159 | 157.1 Ų | 157.1 | 85% | 0.85 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -156 | 80.6 | 170.6 | -129 | -0.8 | 0 | 0 | 0 | 112.1 | ||
| 793 | A | 28.9 | Very low | 30.5 | Very low | 96 Ų | 96 | 153.7 Ų | 153.7 | 79% | 0.793 | 76% | 0.76 | S | S | * | * | trans | 172 | 94.9 | 152.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 794 | K | 30.7 | Very low | 29.9 | Very low | 209 Ų | 209 | 153.2 Ų | 153.2 | 91% | 0.909 | 76% | 0.764 | S | S | * | * | S | Bend | trans | 174.7 | 112.1 | 135.9 | -100.8 | 178.3 | -180 | -173.4 | 0 | 111 | ||
| 795 | S | 31.3 | Very low | 29.5 | Very low | 105 Ų | 105 | 156 Ų | 156 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | trans | 53.3 | 118.3 | 165.1 | -161 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 796 | T | 27.2 | Very low | 29.1 | Very low | 139 Ų | 139 | 156.4 Ų | 156.4 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | cis | 64.2 | 75.4 | 2.4 | 74 | 0 | 0 | 0 | 0 | 119 | ||||
| 797 | D | 31.9 | Very low | 28.6 | Very low | 144 Ų | 144 | 156.3 Ų | 156.3 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | -147.4 | 138.3 | 123.6 | -146.9 | 16.2 | 0 | 0 | 0 | 106.3 | |||||
| 798 | T | 30.6 | Very low | 28 | Very low | 136 Ų | 136 | 156.5 Ų | 156.5 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | cis | -121.8 | 151.7 | 36.9 | 46.8 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 799 | R | 23.5 | Very low | 27.6 | Very low | 225 Ų | 225 | 159.2 Ų | 159.2 | 85% | 0.849 | 80% | 0.799 | S | S | * | * | trans | -142.7 | 154.4 | 170.7 | -176.5 | 174.1 | 176.3 | 165.9 | -0.8 | 111.2 | ||||
| 800 | S | 25.7 | Very low | 27.2 | Very low | 106 Ų | 106 | 157 Ų | 157 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | trans | 74 | 141.4 | 178.9 | -57.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 801 | K | 29.2 | Very low | 26.7 | Very low | 181 Ų | 181 | 157.2 Ų | 157.2 | 79% | 0.787 | 80% | 0.798 | S | S | * | * | cis | -143.2 | 143 | 43.8 | -76.2 | 177.9 | 177.6 | 178.2 | 0 | 115.1 | ||||
| 802 | W | 24.5 | Very low | 26.5 | Very low | 235 Ų | 235 | 155.8 Ų | 155.8 | 89% | 0.89 | 79% | 0.791 | S | S | * | * | trans | 66.6 | 132 | 144.9 | -62.4 | 28.8 | 0 | 0 | 0 | 117.8 | ||||
| 803 | S | 23.8 | Very low | 26.3 | Very low | 104 Ų | 104 | 153.4 Ų | 153.4 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | cis | 91.7 | 137.7 | 13.9 | -157.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 804 | K | 24.1 | Very low | 26.1 | Very low | 194 Ų | 194 | 156 Ų | 156 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | trans | 66 | 122.4 | -173.1 | -54.5 | 179.9 | 179.4 | -179.4 | 0 | 113 | ||||
| 805 | F | 25.1 | Very low | 25.8 | Very low | 211 Ų | 211 | 153.6 Ų | 153.6 | 93% | 0.925 | 78% | 0.779 | S | S | * | * | -144.2 | -179.3 | 54 | -132.8 | -103 | 0 | 0 | 0 | 114.3 | |||||
| 806 | S | 23.5 | Very low | 25.5 | Very low | 104 Ų | 104 | 156.5 Ų | 156.5 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | -124.1 | 163.7 | -166.7 | -174.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 807 | S | 24.9 | Very low | 25.4 | Very low | 105 Ų | 105 | 155.9 Ų | 155.9 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | trans | 107.2 | 142.4 | 177.7 | -65.8 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 808 | N | 24.6 | Very low | 25 | Very low | 124 Ų | 124 | 157.8 Ų | 157.8 | 66% | 0.663 | 77% | 0.767 | S | S | * | * | cis | -164.8 | 173.8 | -19.5 | -132.1 | -50.1 | 0 | 0 | 0 | 113.9 | ||||
| 809 | Y | 23.9 | Very low | 24.8 | Very low | 189 Ų | 189 | 157.9 Ų | 157.9 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | trans | 47.8 | 127.1 | 155.5 | -80.3 | -67.6 | 0 | 0 | 0 | 125 | ||||
| 810 | K | 25.1 | Very low | 24.8 | Very low | 171 Ų | 171 | 152.8 Ų | 152.8 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | trans | 40.1 | 139 | 138.3 | -79.1 | -179.8 | 176.7 | -178.4 | 0 | 123.3 | ||||
| 811 | Y | 24.2 | Very low | 24.9 | Very low | 208 Ų | 208 | 154.1 Ų | 154.1 | 82% | 0.816 | 75% | 0.746 | S | S | * | * | trans | 38.4 | 137.1 | 143.4 | -76.8 | -86.7 | 0 | 0 | 0 | 119.8 | ||||
| 812 | D | 25.5 | Very low | 24.8 | Very low | 126 Ų | 126 | 152.5 Ų | 152.5 | 67% | 0.674 | 74% | 0.741 | S | S | * | * | cis | -163 | 175.4 | 4.7 | -159.1 | -7.8 | 0 | 0 | 0 | 110.2 | ||||
| 813 | T | 24.3 | Very low | 24.9 | Very low | 109 Ų | 109 | 147 Ų | 147 | 67% | 0.669 | 73% | 0.725 | S | S | * | * | trans | 63.9 | 120.9 | 159.8 | 50.6 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 814 | N | 25.4 | Very low | 25.1 | Very low | 150 Ų | 150 | 150 Ų | 150 | 80% | 0.802 | 73% | 0.725 | S | S | * | * | trans | 57.9 | 101.5 | 138.6 | -71.1 | -30.2 | 0 | 0 | 0 | 122.9 | ||||
| 815 | L | 24.5 | Very low | 25.3 | Very low | 159 Ų | 159 | 147.2 Ų | 147.2 | 83% | 0.832 | 72% | 0.718 | S | S | * | * | 74 | 128.9 | 120.5 | -165 | 72 | 0 | 0 | 0 | 120.1 | |||||
| 816 | K | 23.4 | Very low | 25.4 | Very low | 167 Ų | 167 | 144 Ų | 144 | 73% | 0.726 | 71% | 0.711 | S | S | * | * | trans | 65.5 | 110.7 | -176.4 | -75.6 | 175.9 | 179.6 | 176.5 | 0 | 111.8 | ||||
| 817 | N | 26.6 | Very low | 25.3 | Very low | 125 Ų | 125 | 146.4 Ų | 146.4 | 67% | 0.668 | 72% | 0.715 | S | S | * | * | 68.5 | 146.7 | 76.7 | -71.9 | 7.8 | 0 | 0 | 0 | 111.8 | |||||
| 818 | Y | 23.6 | Very low | 25.5 | Very low | 184 Ų | 184 | 146.4 Ų | 146.4 | 72% | 0.722 | 71% | 0.712 | S | S | * | * | trans | 65.3 | 165.9 | 178.2 | -49.3 | -79.3 | 0 | 0 | 0 | 111.3 | L820 | Y818-L820 HydrophobicContact CD1-CD1 4.33Š| ||
| 819 | L | 25 | Very low | 25.5 | Very low | 139 Ų | 139 | 146.9 Ų | 146.9 | 73% | 0.728 | 71% | 0.714 | S | S | * | * | cis | -117.1 | 140.4 | 2.4 | -87 | 84.8 | 0 | 0 | 0 | 110.4 | ||||
| 820 | L | 24.9 | Very low | 25.4 | Very low | 118 Ų | 118 | 146 Ų | 146 | 62% | 0.618 | 71% | 0.714 | S | S | * | * | 91.6 | 167.5 | 54.8 | -146.5 | 71.4 | 0 | 0 | 0 | 111.1 | Y818 | Y818-L820 HydrophobicContact CD1-CD1 4.33Š| |||
| 821 | H | 26.5 | Very low | 25.6 | Very low | 134 Ų | 134 | 145.7 Ų | 145.7 | 62% | 0.62 | 72% | 0.715 | S | S | * | * | trans | 72.9 | 145.1 | 165.6 | -67.1 | -36.6 | 0 | 0 | 0 | 116.8 | ||||
| 822 | Q | 27.8 | Very low | 25.8 | Very low | 147 Ų | 147 | 140 Ų | 140 | 69% | 0.687 | 71% | 0.706 | S | S | * | * | cis | -151.6 | 154.8 | 8 | -122.9 | 152.2 | -14.9 | 0 | 0 | 108.4 | ||||
| 823 | E | 25.8 | Very low | 25.8 | Very low | 120 Ų | 120 | 140.7 Ų | 140.7 | 56% | 0.561 | 71% | 0.708 | S | S | * | * | cis | -165.9 | -179.7 | 7.1 | -151.4 | 164.8 | -126 | 0 | 0 | 110.1 | ||||
| 824 | K | 28.1 | Very low | 25.9 | Very low | 165 Ų | 165 | 140 Ų | 140 | 72% | 0.717 | 70% | 0.703 | S | S | * | * | trans | 71.7 | 136.1 | 158 | -70.1 | 154 | 175.2 | 127.2 | 0 | 116.8 | ||||
| 825 | I | 28 | Very low | 26 | Very low | 136 Ų | 136 | 142.8 Ų | 142.8 | 70% | 0.697 | 71% | 0.709 | S | S | * | * | cis | -142.2 | 130.6 | 1.8 | -104 | 148 | 0 | 0 | 0 | 110.7 | ||||
| 826 | D | 26.9 | Very low | 26 | Very low | 145 Ų | 145 | 142.6 Ų | 142.6 | 78% | 0.775 | 70% | 0.698 | S | S | * | * | trans | 37.6 | 138 | 143.3 | -40.5 | -29.8 | 0 | 0 | 0 | 124.2 | ||||
| 827 | D | 21.8 | Very low | 26.3 | Very low | 154 Ų | 154 | 144.1 Ų | 144.1 | 82% | 0.824 | 71% | 0.708 | S | S | * | * | trans | -50.4 | 160.4 | 151.9 | -106.7 | -53.4 | 0 | 0 | 0 | 112 | ||||
| 828 | P | 30.4 | Very low | 26.4 | Very low | 104 Ų | 104 | 145.3 Ų | 145.3 | 68% | 0.675 | 71% | 0.707 | S | S | * | * | cis | -152.5 | 176.7 | 40.8 | 43.4 | -22.5 | 0 | 0 | 0 | 119.9 | ||||
| 829 | L | 23.6 | Very low | 26.6 | Very low | 134 Ų | 134 | 144 Ų | 144 | 70% | 0.702 | 71% | 0.71 | S | S | * | * | trans | 74.3 | 110.9 | 140.8 | -81.9 | 160.1 | 0 | 0 | 0 | 122.9 | ||||
| 830 | K | 22.9 | Very low | 26.9 | Very low | 170 Ų | 170 | 142.7 Ų | 142.7 | 74% | 0.739 | 70% | 0.703 | S | S | * | * | 78.9 | 131.6 | 128.4 | -99.5 | -179.7 | -169.9 | 173.1 | 0 | 122.6 | |||||
| 831 | H | 28.1 | Very low | 27.1 | Very low | 165 Ų | 165 | 145 Ų | 145 | 76% | 0.764 | 71% | 0.705 | S | S | * | * | trans | 69.7 | 147.4 | 166.9 | -60.6 | 89.8 | 0 | 0 | 0 | 116.1 | ||||
| 832 | S | 27.9 | Very low | 27.7 | Very low | 88 Ų | 88 | 143 Ų | 143 | 62% | 0.615 | 70% | 0.702 | S | S | * | * | cis | -152.1 | 146.9 | 5.1 | -138.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 833 | I | 25.8 | Very low | 28.1 | Very low | 141 Ų | 141 | 140.5 Ų | 140.5 | 72% | 0.723 | 70% | 0.697 | S | S | * | * | 25.2 | 134.7 | 129.5 | -63.2 | 171.5 | 0 | 0 | 0 | 118.4 | |||||
| 834 | T | 26.1 | Very low | 28.3 | Very low | 94 Ų | 94 | 139.9 Ų | 139.9 | 58% | 0.577 | 70% | 0.697 | S | S | * | * | cis | -172.7 | 152.3 | -13.3 | 36.4 | 0 | 0 | 0 | 0 | 108.6 | Y836 | T834-Y836 HydrophobicContact CG2-CE2 4.13Š| ||
| 835 | K | 28.2 | Very low | 28.5 | Very low | 210 Ų | 210 | 139.1 Ų | 139.1 | 91% | 0.913 | 69% | 0.693 | S | S | * | * | trans | -157.7 | 139.9 | 132.7 | -126.5 | 171.7 | -177.4 | 175.8 | 0 | 111.6 | ||||
| 836 | Y | 24.6 | Very low | 28.8 | Very low | 154 Ų | 154 | 140.6 Ų | 140.6 | 60% | 0.604 | 70% | 0.695 | S | S | * | * | trans | -96.5 | 153.5 | -167.9 | -70.8 | -102.6 | 0 | 0 | 0 | 113.7 | T834 F838 | T834-Y836 HydrophobicContact CG2-CE2 4.13Å; Y836-F838 HydrophobicContact CD1-CD1 4.32Å; Y836-F838 HydrophobicContact CD1-CD2 4.2Å; Y836-F838 AromaticContact CD1-CE1 3.74Å; Y836-F838 HydrophobicContact CD1-CE1 3.74Å; Y836-F838 AromaticContact CD1-CE2 3.6Å; Y836-F838 HydrophobicContact CD1-CE2 3.6Å; Y836-F838 AromaticContact CD1-CZ 3.33Å; Y836-F838 HydrophobicContact CD1-CZ 3.33Å; Y836-F838 HydrophobicContact CD2-CE2 4.46Å; Y836-F838 HydrophobicContact CD2-CZ 4.44Å; Y836-F838 AromaticContact CE1-CE1 3.87Å; Y836-F838 HydrophobicContact CE1-CE1 3.87Å; Y836-F838 HydrophobicContact CE1-CE2 4.35Å; Y836-F838 AromaticContact CE1-CZ 3.64Å; Y836-F838 HydrophobicContact CE1-CZ 3.64Å; Y836-F838 HydrophobicContact CG-CD2 4.38Å; Y836-F838 AromaticContact CG-CE2 3.66Å; Y836-F838 HydrophobicContact CG-CE2 3.66Å; Y836-F838 AromaticContact CG-CZ 3.78Å; Y836-F838 HydrophobicContact CG-CZ 3.78Å | ||
| 837 | Q | 29.4 | Very low | 29 | Very low | 199 Ų | 199 | 139.6 Ų | 139.6 | 93% | 0.93 | 69% | 0.689 | S | S | * | * | trans | -139.4 | 142.2 | 131.3 | -107.8 | 173.7 | -2.4 | 0 | 0 | 108.8 | ||||
| 838 | F | 29.1 | Very low | 29.3 | Very low | 150 Ų | 150 | 136.2 Ų | 136.2 | 66% | 0.658 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 136.6 | -154.1 | -80.1 | -98 | 0 | 0 | 0 | 114.9 | Y836 | Y836-F838 HydrophobicContact CD1-CD1 4.32Å; Y836-F838 HydrophobicContact CD1-CD2 4.2Å; Y836-F838 AromaticContact CD1-CE1 3.74Å; Y836-F838 HydrophobicContact CD1-CE1 3.74Å; Y836-F838 AromaticContact CD1-CE2 3.6Å; Y836-F838 HydrophobicContact CD1-CE2 3.6Å; Y836-F838 AromaticContact CD1-CZ 3.33Å; Y836-F838 HydrophobicContact CD1-CZ 3.33Å; Y836-F838 HydrophobicContact CD2-CE2 4.46Å; Y836-F838 HydrophobicContact CD2-CZ 4.44Å; Y836-F838 AromaticContact CE1-CE1 3.87Å; Y836-F838 HydrophobicContact CE1-CE1 3.87Å; Y836-F838 HydrophobicContact CE1-CE2 4.35Å; Y836-F838 AromaticContact CE1-CZ 3.64Å; Y836-F838 HydrophobicContact CE1-CZ 3.64Å; Y836-F838 HydrophobicContact CG-CD2 4.38Å; Y836-F838 AromaticContact CG-CE2 3.66Å; Y836-F838 HydrophobicContact CG-CE2 3.66Å; Y836-F838 AromaticContact CG-CZ 3.78Å; Y836-F838 HydrophobicContact CG-CZ 3.78Å |
| 839 | M | 27.2 | Very low | 29.4 | Very low | 157 Ų | 157 | 139 Ų | 139 | 77% | 0.773 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 157.4 | 142.5 | -72.4 | -177.9 | 177.2 | 0 | 0 | 109.4 | Y841 | M839-Y841 PolarHBondContact O-N 3.37Š|
| 840 | D | 31.9 | Very low | 29.6 | Very low | 112 Ų | 112 | 143.6 Ų | 143.6 | 60% | 0.599 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -64 | 129.3 | 173.4 | -168.8 | -45.3 | 0 | 0 | 0 | 111.2 | T842 | D840-T842 VanDerWaalsContact C-N 3.34Å; D840-T842 PolarHBondContact O-N 3.29Å; D840-T842 WeakPolarHBondContact OD1-CB 3.39Å; D840-T842 WeakPolarHBondContact OD1-CG2 3.47Å; D840-T842 PolarHBondContact OD1-N 2.96Å; D840-T842 PolarHBondContact OD1-OG1 3.31Å |
| 841 | Y | 29 | Very low | 29.8 | Very low | 166 Ų | 166 | 141.3 Ų | 141.3 | 65% | 0.651 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -80.7 | -10.2 | -172.4 | -136.5 | -105.8 | 0 | 0 | 0 | 113.9 | M839 K845 | M839-Y841 PolarHBondContact O-N 3.37Å; Y841-K845 PolarHBondContact O-N 3.21Å |
| 842 | T | 38.2 | Very low | 29.8 | Very low | 91 Ų | 91 | 140.7 Ų | 140.7 | 56% | 0.558 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -77.1 | -33.1 | -173.1 | 57.2 | 0 | 0 | 0 | 0 | 114 | D840 | D840-T842 VanDerWaalsContact C-N 3.34Å; D840-T842 PolarHBondContact O-N 3.29Å; D840-T842 WeakPolarHBondContact OD1-CB 3.39Å; D840-T842 WeakPolarHBondContact OD1-CG2 3.47Å; D840-T842 PolarHBondContact OD1-N 2.96Å; D840-T842 PolarHBondContact OD1-OG1 3.31Å |
| 843 | V | 36.6 | Very low | 29.8 | Very low | 96 Ų | 96 | 146 Ų | 146 | 58% | 0.582 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -75.4 | -46.4 | 179.9 | 179.7 | 0 | 0 | 0 | 0 | 111.1 | K845 K846 L847 | V843-K845 VanDerWaalsContact C-N 3.26Å; V843-K845 PolarHBondContact O-N 3.13Å; V843-K846 PolarHBondContact O-N 3.05Å; V843-K846 VanDerWaalsContact O-N 3.08Å; V843-L847 HydrophobicContact CG1-CD1 4.3Å; V843-L847 PolarHBondContact O-N 3.16Å |
| 844 | L | 30.7 | Very low | 30 | Very low | 107 Ų | 107 | 144.7 Ų | 144.7 | 56% | 0.56 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -59.5 | -35.5 | 177.5 | -88.4 | 159 | 0 | 0 | 0 | 112.4 | K846 L847 A848 | L844-K846 VanDerWaalsContact C-N 3.29Å; L844-K846 PolarHBondContact O-N 3.39Å; L844-L847 PolarHBondContact O-N 3.45Å; L844-A848 WeakPolarHBondContact O-CB 3.37Å; L844-A848 PolarHBondContact O-N 3.06Å |
| 845 | K | 32.7 | Very low | 30 | Very low | 148 Ų | 148 | 146 Ų | 146 | 64% | 0.643 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -68.1 | -23.9 | 177.4 | -160.5 | 172.7 | -175.8 | -179.2 | 0 | 113.8 | Y841 V843 | Y841-K845 PolarHBondContact O-N 3.21Å; V843-K845 VanDerWaalsContact C-N 3.26Å; V843-K845 PolarHBondContact O-N 3.13Å |
| 846 | K | 33.8 | Very low | 29.9 | Very low | 167 Ų | 167 | 140 Ų | 140 | 73% | 0.726 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -88.5 | -19.9 | 175 | -73.6 | -175.6 | 177 | 178 | 0 | 113.9 | V843 L844 | V843-K846 PolarHBondContact O-N 3.05Å; V843-K846 VanDerWaalsContact O-N 3.08Å; L844-K846 VanDerWaalsContact C-N 3.29Å; L844-K846 PolarHBondContact O-N 3.39Å |
| 847 | L | 30.3 | Very low | 30 | Very low | 124 Ų | 124 | 138.8 Ų | 138.8 | 65% | 0.649 | 74% | 0.735 | S | S | * | * | H | α-helix | trans | -88.8 | -34.2 | 173.9 | -85.1 | 158.1 | 0 | 0 | 0 | 112.8 | V843 L844 Q849 | V843-L847 HydrophobicContact CG1-CD1 4.3Å; V843-L847 PolarHBondContact O-N 3.16Å; L844-L847 PolarHBondContact O-N 3.45Å; L847-Q849 PolarHBondContact O-N 3.01Å |
| 848 | A | 29 | Very low | 30 | Very low | 84 Ų | 84 | 134.1 Ų | 134.1 | 69% | 0.694 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | -4.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | L844 | L844-A848 WeakPolarHBondContact O-CB 3.37Å; L844-A848 PolarHBondContact O-N 3.06Å |
| 849 | Q | 32.5 | Very low | 29.9 | Very low | 161 Ų | 161 | 134.1 Ų | 134.1 | 75% | 0.752 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112 | 30.1 | -175.7 | -155.7 | 171.4 | -4.6 | 0 | 0 | 113.2 | L847 | L847-Q849 PolarHBondContact O-N 3.01Š|
| 850 | R | 28.5 | Very low | 29.8 | Very low | 231 Ų | 231 | 134.1 Ų | 134.1 | 87% | 0.872 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -148.8 | 14.3 | 175.5 | -126.6 | 174.2 | -171.9 | 157 | 3.7 | 116.5 | ||
| 851 | T | 26.4 | Very low | 29.5 | Very low | 123 Ų | 123 | 136 Ų | 136 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -142.2 | 53.6 | -178.3 | -41.6 | 0 | 0 | 0 | 0 | 112.2 | ||
| 852 | L | 28.3 | Very low | 29.4 | Very low | 152 Ų | 152 | 133.8 Ų | 133.8 | 80% | 0.796 | 74% | 0.74 | S | S | * | * | trans | -170.2 | 105.3 | 167.1 | -98.9 | 154.6 | 0 | 0 | 0 | 101.4 | ||||
| 853 | E | 27.4 | Very low | 28.8 | Very low | 200 Ų | 200 | 137 Ų | 137 | 94% | 0.935 | 75% | 0.753 | S | S | * | * | -106 | 150.3 | 54 | -60.9 | 165.4 | 153.6 | 0 | 0 | 115.8 | |||||
| 854 | T | 29.7 | Very low | 28.1 | Very low | 112 Ų | 112 | 140 Ų | 140 | 69% | 0.687 | 77% | 0.766 | S | S | * | * | trans | -119.3 | 136.1 | 164.7 | 46.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 855 | S | 26.4 | Very low | 28.1 | Very low | 123 Ų | 123 | 140.6 Ų | 140.6 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | trans | 50.1 | 85.2 | 156 | 60.8 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 856 | G | 27 | Very low | 27.9 | Very low | 84 Ų | 84 | 139.3 Ų | 139.3 | 87% | 0.866 | 78% | 0.776 | S | S | * | * | trans | -125.9 | 91.5 | 156.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 857 | S | 26.9 | Very low | 27.5 | Very low | 128 Ų | 128 | 140.2 Ų | 140.2 | 90% | 0.895 | 78% | 0.782 | S | S | * | * | trans | -89.8 | 113.9 | -177.2 | -179.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 858 | S | 27.7 | Very low | 27.5 | Very low | 100 Ų | 100 | 141 Ų | 141 | 70% | 0.699 | 79% | 0.787 | S | S | * | * | trans | -154.2 | 121.8 | 151.1 | -165 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 859 | M | 27.2 | Very low | 27.4 | Very low | 150 Ų | 150 | 146.1 Ų | 146.1 | 74% | 0.739 | 80% | 0.796 | S | S | * | * | trans | 46.7 | 128.9 | 153.6 | -62.7 | -173.2 | 67.9 | 0 | 0 | 121.7 | ||||
| 860 | E | 26.5 | Very low | 27 | Very low | 158 Ų | 158 | 142.9 Ų | 142.9 | 74% | 0.738 | 80% | 0.798 | S | S | * | * | trans | 88.7 | 117.4 | 144.4 | -77.4 | 179.5 | -169.7 | 0 | 0 | 122 | ||||
| 861 | L | 25.5 | Very low | 27.1 | Very low | 150 Ų | 150 | 137.2 Ų | 137.2 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | trans | 87.9 | 121.7 | 145.4 | -63.6 | 164.3 | 0 | 0 | 0 | 120.3 | ||||
| 862 | T | 26 | Very low | 27 | Very low | 121 Ų | 121 | 139.7 Ų | 139.7 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | trans | 66.5 | 76.9 | 160.3 | 58.3 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 863 | N | 26.2 | Very low | 26.9 | Very low | 158 Ų | 158 | 138.5 Ų | 138.5 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | 168.4 | 121.3 | 117.2 | -89.8 | -49.8 | 0 | 0 | 0 | 112.6 | |||||
| 864 | L | 21.4 | Very low | 27.1 | Very low | 160 Ų | 160 | 134.5 Ų | 134.5 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | trans | 178.7 | 142.2 | 152.2 | -107.1 | 160.4 | 0 | 0 | 0 | 110.2 | ||||
| 865 | P | 29.9 | Very low | 26.8 | Very low | 119 Ų | 119 | 136.6 Ų | 136.6 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | -128.9 | 111.7 | 138.8 | 33.9 | -23.9 | 0 | 0 | 0 | 112.1 | ||||
| 866 | N | 29.3 | Very low | 26.9 | Very low | 120 Ų | 120 | 135 Ų | 135 | 64% | 0.642 | 79% | 0.785 | S | S | * | * | trans | 37.2 | 115.4 | 138.6 | -64.3 | 24.2 | 0 | 0 | 0 | 120.1 | N868 | N866-N868 PolarHBondContact ND2-OD1 3.28Š| ||
| 867 | H | 26.2 | Very low | 26.7 | Very low | 187 Ų | 187 | 143 Ų | 143 | 87% | 0.866 | 79% | 0.789 | S | S | * | * | -53.9 | 129.2 | 119.9 | -99.4 | -94.9 | 0 | 0 | 0 | 109.2 | |||||
| 868 | N | 28.5 | Very low | 26.6 | Very low | 140 Ų | 140 | 145.8 Ų | 145.8 | 75% | 0.749 | 79% | 0.788 | S | S | * | * | trans | -112.2 | 103.6 | 155.8 | -93.6 | 9.9 | 0 | 0 | 0 | 107.6 | N866 | N866-N868 PolarHBondContact ND2-OD1 3.28Š| ||
| 869 | E | 27.4 | Very low | 26.4 | Very low | 191 Ų | 191 | 149.6 Ų | 149.6 | 89% | 0.893 | 79% | 0.792 | S | S | * | * | trans | -154.1 | 89.7 | 157.1 | -148.4 | 173.9 | -120.1 | 0 | 0 | 110.7 | ||||
| 870 | A | 24.9 | Very low | 26.2 | Very low | 94 Ų | 94 | 148.6 Ų | 148.6 | 78% | 0.777 | 79% | 0.79 | S | S | * | * | trans | -170.5 | 152.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 871 | P | 31.2 | Very low | 26.2 | Very low | 112 Ų | 112 | 147.2 Ų | 147.2 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | cis | -136.8 | 166.8 | -43.5 | 38.5 | -24.2 | 0 | 0 | 0 | 113.7 | ||||
| 872 | M | 22.6 | Very low | 26.2 | Very low | 174 Ų | 174 | 148.6 Ų | 148.6 | 86% | 0.857 | 79% | 0.789 | S | S | * | * | trans | 24.2 | 140.5 | 142.6 | -57.1 | 169.6 | 66.6 | 0 | 0 | 121.6 | ||||
| 873 | V | 27.6 | Very low | 26.3 | Very low | 128 Ų | 128 | 146 Ų | 146 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | -178.3 | 149.7 | 117.2 | 143.3 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 874 | T | 30.2 | Very low | 26.3 | Very low | 115 Ų | 115 | 146.6 Ų | 146.6 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | trans | 57.2 | 102.4 | 170.3 | 45.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 875 | D | 24.1 | Very low | 26.5 | Very low | 157 Ų | 157 | 145.4 Ų | 145.4 | 84% | 0.84 | 77% | 0.772 | S | S | * | * | 39 | 157.6 | 89.2 | -59 | -53.9 | 0 | 0 | 0 | 123.3 | |||||
| 876 | A | 28.6 | Very low | 26.3 | Very low | 88 Ų | 88 | 144.7 Ų | 144.7 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | trans | 70 | 112.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 877 | W | 22.5 | Very low | 26.1 | Very low | 253 Ų | 253 | 146.9 Ų | 146.9 | 96% | 0.958 | 78% | 0.777 | S | S | * | * | 58.3 | 101.2 | 61.8 | -68.1 | 52.3 | 0 | 0 | 0 | 114 | |||||
| 878 | Q | 25.1 | Very low | 26.3 | Very low | 186 Ų | 186 | 143.2 Ų | 143.2 | 87% | 0.869 | 77% | 0.767 | S | S | * | * | 178.5 | 153.3 | 107 | -174.9 | 157 | -3.5 | 0 | 0 | 112.4 | |||||
| 879 | F | 23.5 | Very low | 26.3 | Very low | 180 Ų | 180 | 141.9 Ų | 141.9 | 79% | 0.789 | 77% | 0.765 | S | S | * | * | trans | -16.9 | 141.3 | 167.7 | -102.9 | -104.8 | 0 | 0 | 0 | 121.9 | ||||
| 880 | D | 24.1 | Very low | 26.5 | Very low | 129 Ų | 129 | 138.1 Ų | 138.1 | 69% | 0.69 | 76% | 0.755 | S | S | * | * | trans | 88.5 | 154.2 | 134.8 | -124.7 | -27.9 | 0 | 0 | 0 | 122.5 | ||||
| 881 | L | 25.7 | Very low | 26.8 | Very low | 129 Ų | 129 | 140.3 Ų | 140.3 | 68% | 0.675 | 75% | 0.752 | S | S | * | * | trans | 66.1 | 134.6 | 162.1 | -62.5 | 170 | 0 | 0 | 0 | 120.1 | ||||
| 882 | Q | 26 | Very low | 26.8 | Very low | 180 Ų | 180 | 140.3 Ų | 140.3 | 84% | 0.841 | 76% | 0.755 | S | S | * | * | trans | 42.8 | 107.2 | 137.6 | -56.1 | 172.2 | 11 | 0 | 0 | 116.6 | ||||
| 883 | G | 26.8 | Very low | 27.1 | Very low | 66 Ų | 66 | 135.9 Ų | 135.9 | 68% | 0.68 | 75% | 0.746 | S | S | * | * | 149.8 | 162.8 | 73.1 | 0 | 0 | 0 | 0 | 0 | 110 | |||||
| 884 | K | 27.2 | Very low | 27.2 | Very low | 171 Ų | 171 | 135.1 Ų | 135.1 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | 53.3 | 129.8 | 87.4 | -74.7 | -163.7 | 168.6 | -68.4 | 0 | 113.6 | |||||
| 885 | E | 24.7 | Very low | 27.1 | Very low | 134 Ų | 134 | 138.4 Ų | 138.4 | 63% | 0.626 | 75% | 0.754 | S | S | * | * | cis | 167.7 | 162.8 | -6.1 | -121.4 | 167.8 | -157.5 | 0 | 0 | 104.7 | ||||
| 886 | T | 25.4 | Very low | 27.8 | Very low | 105 Ų | 105 | 135.6 Ų | 135.6 | 64% | 0.644 | 74% | 0.744 | S | S | * | * | trans | 35.2 | 112.8 | 149.7 | 64 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 887 | N | 26.2 | Very low | 27.7 | Very low | 165 Ų | 165 | 137.4 Ų | 137.4 | 88% | 0.882 | 75% | 0.746 | S | S | * | * | S | Bend | -125.1 | 127.7 | 119.9 | -91.9 | -52.3 | 0 | 0 | 0 | 105.6 | |||
| 888 | V | 29.8 | Very low | 27.9 | Very low | 110 Ų | 110 | 131.3 Ų | 131.3 | 67% | 0.667 | 74% | 0.737 | S | S | * | * | S | Bend | cis | -145.7 | 121.9 | 15.8 | -178.4 | 0 | 0 | 0 | 0 | 110.8 | ||
| 889 | T | 29.5 | Very low | 28 | Very low | 113 Ų | 113 | 126.9 Ų | 126.9 | 69% | 0.693 | 73% | 0.732 | S | S | * | * | trans | 64.1 | 146.3 | 154.3 | 64.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 890 | T | 31 | Very low | 28.3 | Very low | 111 Ų | 111 | 125.7 Ų | 125.7 | 68% | 0.681 | 73% | 0.732 | S | S | * | * | cis | -168.3 | 150.1 | -7.4 | 22.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 891 | I | 31.7 | Very low | 28.7 | Very low | 141 Ų | 141 | 125.4 Ų | 125.4 | 72% | 0.723 | 74% | 0.735 | S | S | * | * | trans | 78.5 | 105 | 135.4 | -71 | 164.5 | 0 | 0 | 0 | 122.5 | ||||
| 892 | S | 30.3 | Very low | 29.3 | Very low | 112 Ų | 112 | 124 Ų | 124 | 78% | 0.783 | 73% | 0.734 | S | S | * | * | trans | 70.7 | 167.9 | 132.3 | 81 | 0 | 0 | 0 | 0 | 122 | ||||
| 893 | A | 29.1 | Very low | 29.5 | Very low | 81 Ų | 81 | 123 Ų | 123 | 67% | 0.669 | 73% | 0.733 | S | S | * | * | cis | -175.6 | 169.4 | -37.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 894 | S | 30.3 | Very low | 29.7 | Very low | 111 Ų | 111 | 123.9 Ų | 123.9 | 78% | 0.776 | 73% | 0.734 | S | S | * | * | trans | 58.5 | 126.9 | 164.8 | 45.6 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 895 | Q | 26.5 | Very low | 29.8 | Very low | 185 Ų | 185 | 121 Ų | 121 | 86% | 0.864 | 73% | 0.73 | S | S | * | * | 68.3 | 142 | 61.5 | -75.3 | -83.6 | -33.3 | 0 | 0 | 114.7 | |||||
| 896 | P | 39.7 | Very low | 30.1 | Very low | 98 Ų | 98 | 120.7 Ų | 120.7 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | trans | -118 | 172 | -149.3 | 42 | -32.3 | 0 | 0 | 0 | 115.5 | ||||
| 897 | T | 26.1 | Very low | 30.2 | Very low | 126 Ų | 126 | 119.7 Ų | 119.7 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | 178.9 | 153.7 | 129.1 | 24 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 898 | T | 27.2 | Very low | 30.2 | Very low | 125 Ų | 125 | 118.8 Ų | 118.8 | 77% | 0.767 | 74% | 0.735 | S | S | * | * | trans | 58.1 | 111.8 | 149.3 | 50.3 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 899 | A | 26.4 | Very low | 30.1 | Very low | 92 Ų | 92 | 120 Ų | 120 | 76% | 0.76 | 74% | 0.743 | S | S | * | * | 95.1 | 163.2 | 118.5 | 0 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 900 | I | 31.2 | Very low | 30.6 | Very low | 155 Ų | 155 | 120.2 Ų | 120.2 | 80% | 0.795 | 75% | 0.747 | S | S | * | * | trans | 79.6 | 77.4 | 168 | -50.1 | -175.7 | 0 | 0 | 0 | 116.7 | ||||
| 901 | T | 32 | Very low | 30.3 | Very low | 123 Ų | 123 | 120.1 Ų | 120.1 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | 47.8 | 156 | 121.1 | 51.2 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 902 | P | 38.2 | Very low | 30 | Very low | 101 Ų | 101 | 118.1 Ų | 118.1 | 66% | 0.656 | 75% | 0.749 | S | S | * | * | cis | -147.9 | -176.7 | -21.3 | 37.9 | -16.8 | 0 | 0 | 0 | 116.8 | ||||
| 903 | I | 29.5 | Very low | 29.8 | Very low | 159 Ų | 159 | 117.7 Ų | 117.7 | 82% | 0.815 | 75% | 0.746 | S | S | * | * | trans | 58.1 | 150.3 | 163.7 | 14.8 | 174.8 | 0 | 0 | 0 | 117.5 | ||||
| 904 | A | 30.9 | Very low | 29.7 | Very low | 84 Ų | 84 | 118.5 Ų | 118.5 | 69% | 0.694 | 75% | 0.747 | S | S | * | * | cis | -158.9 | 170.9 | 3.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 905 | T | 30.2 | Very low | 29.6 | Very low | 110 Ų | 110 | 118.6 Ų | 118.6 | 68% | 0.675 | 75% | 0.747 | S | S | * | * | cis | -170.3 | 151.7 | -30.4 | 32.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 906 | T | 30.6 | Very low | 29.6 | Very low | 128 Ų | 128 | 115.2 Ų | 115.2 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | trans | 54.1 | 126.6 | 160.1 | 52.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 907 | A | 27 | Very low | 28.9 | Very low | 84 Ų | 84 | 115.6 Ų | 115.6 | 69% | 0.694 | 75% | 0.749 | S | S | * | * | cis | 82.2 | 132.5 | 28.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 908 | N | 27 | Very low | 28.9 | Very low | 146 Ų | 146 | 117.1 Ų | 117.1 | 78% | 0.781 | 75% | 0.752 | S | S | * | * | trans | 89.3 | 126.9 | 149.8 | -68.1 | -0 | 0 | 0 | 0 | 123.7 | ||||
| 909 | T | 26.9 | Very low | 28.9 | Very low | 134 Ų | 134 | 118.8 Ų | 118.8 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | trans | 86.7 | 151.2 | 135.2 | 46.6 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 910 | P | 40.8 | Very low | 28.8 | Very low | 119 Ų | 119 | 122 Ų | 122 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | trans | -122.9 | 172.7 | -161.8 | 43.6 | -30.1 | 0 | 0 | 0 | 115.2 | ||||
| 911 | S | 25 | Very low | 28.8 | Very low | 109 Ų | 109 | 119.9 Ų | 119.9 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | trans | -170.5 | 150.2 | 148.2 | 46.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 912 | S | 25.9 | Very low | 28.6 | Very low | 99 Ų | 99 | 121 Ų | 121 | 69% | 0.692 | 76% | 0.759 | S | S | * | * | trans | 53.5 | 136.1 | 141.1 | 63.1 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 913 | S | 25.3 | Very low | 28.1 | Very low | 102 Ų | 102 | 123.5 Ų | 123.5 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | 80.4 | 141.8 | 129.9 | 60.2 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 914 | S | 27.5 | Very low | 28.1 | Very low | 99 Ų | 99 | 124.4 Ų | 124.4 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | trans | 60.1 | 102.7 | 148.5 | 57.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 915 | S | 27.4 | Very low | 28 | Very low | 112 Ų | 112 | 130 Ų | 130 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | 41.2 | 112.9 | 114.8 | -49 | 0 | 0 | 0 | 0 | 120 | |||||
| 916 | S | 26.1 | Very low | 28.4 | Very low | 114 Ų | 114 | 130.3 Ų | 130.3 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | 59.5 | 105.9 | 128.5 | -55.5 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 917 | S | 25.8 | Very low | 28.3 | Very low | 106 Ų | 106 | 129.3 Ų | 129.3 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | 107.1 | 133.7 | 126.8 | 84.1 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 918 | L | 25.1 | Very low | 28.5 | Very low | 159 Ų | 159 | 133.2 Ų | 133.2 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | trans | 79.1 | 147.3 | 148.1 | -70.6 | 166.7 | 0 | 0 | 0 | 121.8 | ||||
| 919 | L | 28.4 | Very low | 28.9 | Very low | 160 Ų | 160 | 132.5 Ų | 132.5 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | trans | 74.4 | 119.7 | 161 | -71.3 | 164.3 | 0 | 0 | 0 | 120.6 | ||||
| 920 | L | 24.1 | Very low | 29 | Very low | 158 Ų | 158 | 129.7 Ų | 129.7 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | trans | -64.8 | 146.3 | 160.1 | -59.3 | 67 | 0 | 0 | 0 | 110.5 | ||||
| 921 | S | 30.3 | Very low | 29.1 | Very low | 111 Ų | 111 | 130 Ų | 130 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | -177.9 | 112.5 | 116.4 | 30.8 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 922 | N | 28.6 | Very low | 29.5 | Very low | 148 Ų | 148 | 130.9 Ų | 130.9 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | 67.3 | 144.1 | 70.6 | -155.6 | 13.6 | 0 | 0 | 0 | 114.2 | |||||
| 923 | I | 28.6 | Very low | 29.6 | Very low | 152 Ų | 152 | 129.7 Ų | 129.7 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | trans | 96.3 | 152.6 | 163.8 | -56.9 | 156.8 | 0 | 0 | 0 | 118.6 | ||||
| 924 | H | 28.9 | Very low | 30.2 | Very low | 178 Ų | 178 | 131.3 Ų | 131.3 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | trans | -53.3 | 164.8 | 180 | -84.2 | -10.6 | 0 | 0 | 0 | 118.4 | ||||
| 925 | K | 29 | Very low | 30.4 | Very low | 201 Ų | 201 | 130.4 Ų | 130.4 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | trans | 87.7 | 115.8 | 160.4 | -74 | -177 | 176 | 179.3 | 0 | 117.5 | ||||
| 926 | P | 37.5 | Very low | 30.4 | Very low | 118 Ų | 118 | 128.8 Ų | 128.8 | 77% | 0.766 | 81% | 0.812 | S | S | * | * | trans | -94.6 | 169.9 | 167.7 | 38.9 | -34.4 | 0 | 0 | 0 | 112 | ||||
| 927 | S | 29.2 | Very low | 30.9 | Very low | 106 Ų | 106 | 128.7 Ų | 128.7 | 74% | 0.741 | 81% | 0.809 | S | S | * | * | 166.9 | 145 | 122.6 | -75.5 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 928 | L | 31 | Very low | 31.1 | Very low | 166 Ų | 166 | 130.5 Ų | 130.5 | 87% | 0.869 | 81% | 0.81 | S | S | * | * | trans | 69.7 | 118.8 | 153.5 | -67.9 | 161.1 | 0 | 0 | 0 | 120.9 | ||||
| 929 | P | 34.7 | Very low | 31.3 | Very low | 132 Ų | 132 | 128.6 Ų | 128.6 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | trans | -102.8 | 164 | 158.7 | 38.2 | -31.3 | 0 | 0 | 0 | 113.2 | ||||
| 930 | G | 29.8 | Very low | 31.1 | Very low | 74 Ų | 74 | 128 Ų | 128 | 76% | 0.763 | 80% | 0.803 | S | S | * | * | trans | -162 | 139.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 931 | P | 43.8 | Very low | 31.1 | Very low | 126 Ų | 126 | 127.8 Ų | 127.8 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -115 | 147.2 | -164.6 | 39.6 | -31.6 | 0 | 0 | 0 | 116.7 | ||||
| 932 | S | 31.8 | Very low | 30.8 | Very low | 128 Ų | 128 | 128.5 Ų | 128.5 | 90% | 0.895 | 80% | 0.802 | S | S | * | * | trans | -158.8 | 151.2 | 159.4 | -68 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 933 | G | 29.4 | Very low | 30.8 | Very low | 73 Ų | 73 | 126.1 Ų | 126.1 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | trans | -102.1 | -151.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 934 | P | 38.2 | Very low | 30.6 | Very low | 137 Ų | 137 | 124.7 Ų | 124.7 | 89% | 0.89 | 80% | 0.796 | S | S | * | * | cis | -136.5 | 175.9 | -0.2 | 42 | -25 | 0 | 0 | 0 | 116.3 | ||||
| 935 | G | 31 | Very low | 30.4 | Very low | 79 Ų | 79 | 121.1 Ų | 121.1 | 81% | 0.814 | 79% | 0.79 | S | S | * | * | trans | 99.9 | 139.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 936 | G | 27.4 | Very low | 30.2 | Very low | 79 Ų | 79 | 119.4 Ų | 119.4 | 81% | 0.814 | 79% | 0.79 | S | S | * | * | cis | 110 | 142.8 | -2.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 937 | P | 36.6 | Very low | 29.9 | Very low | 111 Ų | 111 | 122.1 Ų | 122.1 | 72% | 0.721 | 79% | 0.792 | S | S | * | * | cis | -133.1 | 177.6 | 1.9 | 43.9 | -28.4 | 0 | 0 | 0 | 115.9 | ||||
| 938 | N | 30.5 | Very low | 30 | Very low | 144 Ų | 144 | 121.9 Ų | 121.9 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | trans | 59.4 | 140.8 | 156.7 | -57.8 | -11.6 | 0 | 0 | 0 | 119.8 | ||||
| 939 | V | 28.3 | Very low | 29.8 | Very low | 119 Ų | 119 | 120.4 Ų | 120.4 | 72% | 0.721 | 78% | 0.779 | S | S | * | * | cis | 89.3 | 94.1 | 22.7 | -174.3 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 940 | N | 24.5 | Very low | 29.3 | Very low | 148 Ų | 148 | 120.4 Ų | 120.4 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | trans | 59.8 | 149.2 | 142.2 | -73.2 | 4.2 | 0 | 0 | 0 | 124.3 | ||||
| 941 | L | 24.8 | Very low | 29.2 | Very low | 153 Ų | 153 | 125.3 Ų | 125.3 | 80% | 0.801 | 78% | 0.775 | S | S | * | * | trans | 91 | 127.9 | 156.9 | -70.3 | 162.7 | 0 | 0 | 0 | 120.7 | ||||
| 942 | T | 23.6 | Very low | 28.3 | Very low | 127 Ų | 127 | 128 Ų | 128 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | trans | 48.7 | 121.5 | 144.3 | 57.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 943 | A | 28 | Very low | 28.3 | Very low | 98 Ų | 98 | 128.9 Ų | 128.9 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | -172.4 | 155.7 | 115.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 944 | D | 25.2 | Very low | 28.1 | Very low | 122 Ų | 122 | 131 Ų | 131 | 65% | 0.652 | 76% | 0.759 | S | S | * | * | trans | -97.9 | 179.9 | -176 | -56.3 | -72.1 | 0 | 0 | 0 | 114.1 | L1031 | D944-L1031 HydrophobicContact CB-CD2 4.17Š| ||
| 945 | C | 23.3 | Very low | 27.8 | Very low | 103 Ų | 103 | 130.7 Ų | 130.7 | 70% | 0.696 | 75% | 0.75 | S | S | * | * | trans | 81.2 | 140.4 | 157.3 | -69.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 946 | L | 25.5 | Very low | 28 | Very low | 165 Ų | 165 | 133.7 Ų | 133.7 | 86% | 0.864 | 74% | 0.742 | S | S | * | * | trans | 72.7 | 105 | 157.5 | -64.1 | 164.1 | 0 | 0 | 0 | 119.1 | ||||
| 947 | H | 31 | Very low | 28 | Very low | 175 Ų | 175 | 136.3 Ų | 136.3 | 81% | 0.81 | 74% | 0.738 | S | S | * | * | trans | -42.9 | 148 | 137.7 | -116.7 | -36.8 | 0 | 0 | 0 | 110.6 | ||||
| 948 | P | 31.5 | Very low | 27.9 | Very low | 100 Ų | 100 | 138 Ų | 138 | 65% | 0.649 | 74% | 0.735 | S | S | * | * | -156 | 171 | 81.2 | 42.3 | -24 | 0 | 0 | 0 | 118 | |||||
| 949 | I | 26.7 | Very low | 27.9 | Very low | 135 Ų | 135 | 138.9 Ų | 138.9 | 69% | 0.692 | 74% | 0.735 | S | S | * | * | trans | 67.3 | 118.2 | 144.2 | -72.1 | 159.8 | 0 | 0 | 0 | 120.7 | ||||
| 950 | N | 23.8 | Very low | 28.1 | Very low | 133 Ų | 133 | 139.3 Ų | 139.3 | 71% | 0.711 | 73% | 0.733 | S | S | * | * | trans | 1.4 | 139.9 | 141 | -43.1 | -24.5 | 0 | 0 | 0 | 119.8 | ||||
| 951 | Q | 28.1 | Very low | 28.5 | Very low | 176 Ų | 176 | 140.3 Ų | 140.3 | 82% | 0.822 | 73% | 0.731 | S | S | * | * | -171.7 | 124.9 | 103.3 | -96.3 | 168.8 | 15.4 | 0 | 0 | 109.7 | |||||
| 952 | Y | 24.1 | Very low | 28.8 | Very low | 184 Ų | 184 | 138.3 Ų | 138.3 | 72% | 0.722 | 73% | 0.725 | S | S | * | * | 67.7 | 109.8 | 90.1 | -99 | -85 | 0 | 0 | 0 | 115.9 | |||||
| 953 | N | 32.1 | Very low | 29.1 | Very low | 146 Ų | 146 | 139 Ų | 139 | 78% | 0.781 | 72% | 0.723 | S | S | * | * | trans | 170.9 | 117.6 | 131.8 | -81.7 | -21.2 | 0 | 0 | 0 | 106.6 | ||||
| 954 | N | 25.4 | Very low | 29.1 | Very low | 118 Ų | 118 | 142.9 Ų | 142.9 | 63% | 0.631 | 72% | 0.721 | S | S | * | * | 52.4 | 120.1 | 67.7 | -65.6 | -4.1 | 0 | 0 | 0 | 111 | |||||
| 955 | D | 32.6 | Very low | 29.3 | Very low | 129 Ų | 129 | 143.3 Ų | 143.3 | 69% | 0.69 | 73% | 0.728 | S | S | * | * | -167.8 | 151.6 | 70.2 | -102 | -38 | 0 | 0 | 0 | 116.3 | |||||
| 956 | H | 34.6 | Very low | 29.5 | Very low | 143 Ų | 143 | 142.4 Ų | 142.4 | 66% | 0.662 | 72% | 0.722 | S | S | * | * | trans | 64.3 | 116.7 | 147.7 | -65.3 | 40.8 | 0 | 0 | 0 | 119.2 | ||||
| 957 | N | 28.7 | Very low | 29.5 | Very low | 134 Ų | 134 | 140.7 Ų | 140.7 | 72% | 0.717 | 72% | 0.719 | S | S | * | * | 71 | 135.6 | 73.2 | -61.5 | -26.4 | 0 | 0 | 0 | 113.5 | |||||
| 958 | H | 33 | Very low | 29.3 | Very low | 145 Ų | 145 | 138.5 Ų | 138.5 | 67% | 0.671 | 71% | 0.713 | S | S | * | * | cis | -150.7 | 156.1 | 40.6 | -97.1 | -104.6 | 0 | 0 | 0 | 114.9 | ||||
| 959 | E | 32.2 | Very low | 29.2 | Very low | 164 Ų | 164 | 140.8 Ų | 140.8 | 77% | 0.766 | 72% | 0.719 | S | S | * | * | trans | 65.8 | 140 | 139.4 | -72.1 | 170.7 | -150.4 | 0 | 0 | 122.7 | ||||
| 960 | D | 31.6 | Very low | 29.2 | Very low | 128 Ų | 128 | 141.9 Ų | 141.9 | 68% | 0.684 | 73% | 0.726 | S | S | * | * | cis | -163.3 | 167.7 | -14 | -169 | 24.9 | 0 | 0 | 0 | 112.4 | ||||
| 961 | K | 33.2 | Very low | 29.4 | Very low | 169 Ų | 169 | 143.5 Ų | 143.5 | 74% | 0.735 | 73% | 0.733 | S | S | * | * | trans | 84.2 | 124.9 | 164.8 | -53.3 | -176.3 | -176.2 | 171.9 | 0 | 117.3 | ||||
| 962 | T | 30 | Very low | 29.5 | Very low | 110 Ų | 110 | 139.8 Ų | 139.8 | 68% | 0.675 | 73% | 0.727 | S | S | * | * | cis | -160.2 | 140.9 | -3.3 | 8.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 963 | I | 30.8 | Very low | 29.6 | Very low | 143 Ų | 143 | 137.9 Ų | 137.9 | 73% | 0.733 | 73% | 0.729 | S | S | * | * | trans | 66.4 | 100.4 | 149.3 | -62.1 | 166.4 | 0 | 0 | 0 | 115.4 | ||||
| 964 | K | 28.6 | Very low | 29.6 | Very low | 178 Ų | 178 | 138.7 Ų | 138.7 | 77% | 0.774 | 73% | 0.728 | S | S | * | * | 69.7 | 140.7 | 79.3 | -71.2 | -179.3 | 176.1 | -174.9 | 0 | 113.4 | |||||
| 965 | V | 29.4 | Very low | 29.8 | Very low | 132 Ų | 132 | 137.9 Ų | 137.9 | 80% | 0.8 | 73% | 0.731 | S | S | * | * | cis | -131.3 | 139.4 | 15.3 | 175.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 966 | S | 25.8 | Very low | 29.6 | Very low | 83 Ų | 83 | 141 Ų | 141 | 58% | 0.58 | 74% | 0.739 | S | S | * | * | cis | 95.9 | 87.5 | 18.5 | -53 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 967 | V | 26.9 | Very low | 29.1 | Very low | 129 Ų | 129 | 139.7 Ų | 139.7 | 78% | 0.782 | 75% | 0.745 | S | S | * | * | trans | 58.6 | 171.5 | 141.6 | -96.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 968 | D | 26 | Very low | 28.9 | Very low | 130 Ų | 130 | 138.4 Ų | 138.4 | 70% | 0.695 | 75% | 0.746 | S | S | * | * | cis | -148.3 | 174 | 16.4 | -135.1 | -39.3 | 0 | 0 | 0 | 115.5 | ||||
| 969 | L | 29.1 | Very low | 28.5 | Very low | 148 Ų | 148 | 139.4 Ų | 139.4 | 78% | 0.775 | 75% | 0.749 | S | S | * | * | trans | -68.2 | 159.4 | 176.5 | -62.8 | 158.7 | 0 | 0 | 0 | 113.1 | ||||
| 970 | N | 28 | Very low | 28.2 | Very low | 158 Ų | 158 | 139 Ų | 139 | 85% | 0.845 | 75% | 0.752 | S | S | * | * | trans | -157.6 | 116.2 | 163.4 | -106.4 | -58 | 0 | 0 | 0 | 114.7 | ||||
| 971 | I | 27.4 | Very low | 28 | Very low | 166 Ų | 166 | 138.9 Ų | 138.9 | 85% | 0.851 | 75% | 0.751 | S | S | * | * | trans | -148.1 | 126.5 | 159.6 | -61.7 | -176.1 | 0 | 0 | 0 | 104.2 | ||||
| 972 | S | 30.2 | Very low | 27.7 | Very low | 99 Ų | 99 | 141.5 Ų | 141.5 | 69% | 0.692 | 76% | 0.756 | S | S | * | * | cis | -164.7 | 156.6 | -2.3 | 50.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 973 | D | 27 | Very low | 27.7 | Very low | 143 Ų | 143 | 144.8 Ų | 144.8 | 77% | 0.765 | 77% | 0.766 | S | S | * | * | trans | -161.2 | 169.6 | 136.5 | -131.3 | -37.8 | 0 | 0 | 0 | 114.5 | ||||
| 974 | H | 31.5 | Very low | 27.3 | Very low | 163 Ų | 163 | 142 Ų | 142 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | trans | 64.7 | 77.9 | 167.3 | -67.8 | -55.9 | 0 | 0 | 0 | 120 | ||||
| 975 | S | 29.4 | Very low | 27.1 | Very low | 102 Ų | 102 | 140.5 Ų | 140.5 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | 126.2 | 139.8 | 94.1 | 75.2 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 976 | K | 29.1 | Very low | 27 | Very low | 193 Ų | 193 | 145.2 Ų | 145.2 | 84% | 0.839 | 78% | 0.776 | S | S | * | * | trans | 66.5 | 93.4 | 156.1 | -67.8 | 175.1 | -178.9 | 176.2 | 0 | 119.9 | ||||
| 977 | C | 24.1 | Very low | 26.9 | Very low | 117 Ų | 117 | 152 Ų | 152 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | 34.6 | 113.5 | 129.2 | -56.5 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 978 | S | 23.2 | Very low | 26.8 | Very low | 107 Ų | 107 | 153.1 Ų | 153.1 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | trans | 56.9 | 147.7 | 136.3 | 65.8 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 979 | F | 24.8 | Very low | 27.2 | Very low | 165 Ų | 165 | 155.8 Ų | 155.8 | 72% | 0.724 | 80% | 0.795 | S | S | * | * | trans | 86 | 96.6 | 175.4 | -84.9 | -99.4 | 0 | 0 | 0 | 118.5 | N981 | F979-N981 HydrophobicContact CD1-CB 3.98Å; F979-N981 HydrophobicContact CE1-CB 4.49Å | ||
| 980 | N | 27.1 | Very low | 26.9 | Very low | 156 Ų | 156 | 155.5 Ų | 155.5 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | trans | -158.6 | 120.6 | 136.6 | -87.4 | -43.5 | 0 | 0 | 0 | 104.9 | ||||
| 981 | N | 25.8 | Very low | 26.9 | Very low | 125 Ų | 125 | 153.5 Ų | 153.5 | 67% | 0.668 | 79% | 0.79 | S | S | * | * | cis | 69.3 | 59 | -1.1 | -100 | 26.1 | 0 | 0 | 0 | 118.7 | F979 | F979-N981 HydrophobicContact CD1-CB 3.98Å; F979-N981 HydrophobicContact CE1-CB 4.49Å | ||
| 982 | R | 27.2 | Very low | 26.8 | Very low | 224 Ų | 224 | 156.2 Ų | 156.2 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | trans | -137.4 | 130.5 | 141.5 | -84.1 | -179.7 | 165.8 | -177.7 | -5.9 | 107.1 | ||||
| 983 | M | 30.5 | Very low | 27 | Very low | 179 Ų | 179 | 158.3 Ų | 158.3 | 88% | 0.882 | 79% | 0.791 | S | S | * | * | S | Bend | cis | -129.7 | 125.2 | -10.1 | -86.2 | -176.3 | 163.3 | 0 | 0 | 110.5 | ||
| 984 | A | 23.5 | Very low | 26.9 | Very low | 85 Ų | 85 | 157.8 Ų | 157.8 | 70% | 0.702 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -115.9 | 158.3 | 138.3 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||
| 985 | T | 23.4 | Very low | 26.5 | Very low | 147 Ų | 147 | 156 Ų | 156 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 147.7 | -166 | 39.2 | 0 | 0 | 0 | 0 | 114.4 | ||
| 986 | Y | 26.4 | Very low | 26.3 | Very low | 230 Ų | 230 | 159.6 Ų | 159.6 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -79 | 145.2 | 175.1 | -115.8 | -92.6 | 0 | 0 | 0 | 111.3 | ||
| 987 | R | 24.4 | Very low | 26.5 | Very low | 225 Ų | 225 | 154.5 Ų | 154.5 | 85% | 0.849 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 145.9 | 171.1 | -63.7 | 169.8 | 170.7 | 160.7 | -5.5 | 111.1 | ||
| 988 | L | 25.8 | Very low | 26.6 | Very low | 153 Ų | 153 | 155.4 Ų | 155.4 | 80% | 0.801 | 77% | 0.77 | S | S | * | * | 179 | 148.2 | 109.7 | -95.8 | 162.3 | 0 | 0 | 0 | 113.3 | |||||
| 989 | K | 33.3 | Very low | 26.7 | Very low | 186 Ų | 186 | 158.3 Ų | 158.3 | 81% | 0.809 | 77% | 0.771 | S | S | * | * | trans | 62.7 | 106.9 | 157.7 | -69.5 | -179.9 | 180 | -179.1 | 0 | 119.9 | ||||
| 990 | N | 22.3 | Very low | 26.9 | Very low | 143 Ų | 143 | 158.2 Ų | 158.2 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | trans | -55.2 | 157.4 | 130.7 | -104.7 | -39.5 | 0 | 0 | 0 | 110.4 | ||||
| 991 | P | 28.7 | Very low | 26.9 | Very low | 116 Ų | 116 | 158.4 Ų | 158.4 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | cis | -138.7 | 144.2 | 28.2 | 38.5 | -20 | 0 | 0 | 0 | 118 | ||||
| 992 | R | 25.8 | Very low | 26.9 | Very low | 223 Ų | 223 | 162.1 Ų | 162.1 | 84% | 0.842 | 78% | 0.781 | S | S | * | * | trans | -157.7 | 107.6 | 134.2 | -106.2 | 165.4 | -171.3 | -163.6 | 0.3 | 106.6 | ||||
| 993 | I | 33.2 | Very low | 27 | Very low | 142 Ų | 142 | 157.5 Ų | 157.5 | 73% | 0.728 | 77% | 0.769 | S | S | * | * | 69.8 | 93.4 | 98.9 | -69.1 | 170.6 | 0 | 0 | 0 | 111.1 | |||||
| 994 | I | 25.8 | Very low | 26.7 | Very low | 132 Ų | 132 | 157 Ų | 157 | 68% | 0.677 | 76% | 0.762 | S | S | * | * | trans | -66 | 113.5 | 139.4 | -91.5 | 164.8 | 0 | 0 | 0 | 107 | K996 | I994-K996 HydrophobicContact CG2-CG 4.18Š| ||
| 995 | N | 22.8 | Very low | 26.9 | Very low | 126 Ų | 126 | 159.1 Ų | 159.1 | 67% | 0.674 | 77% | 0.766 | S | S | * | * | -108.5 | 143.2 | 103.9 | -86.7 | 6 | 0 | 0 | 0 | 106 | |||||
| 996 | K | 24.4 | Very low | 26.9 | Very low | 178 Ų | 178 | 158.2 Ų | 158.2 | 77% | 0.774 | 76% | 0.756 | S | S | * | * | cis | -146.2 | 161.7 | -33.9 | -119.6 | -168 | 177.9 | -177.1 | 0 | 107.4 | I994 | I994-K996 HydrophobicContact CG2-CG 4.18Š| ||
| 997 | P | 33.1 | Very low | 27 | Very low | 85 Ų | 85 | 155.3 Ų | 155.3 | 55% | 0.552 | 75% | 0.748 | S | S | * | * | trans | -103.5 | 176.4 | -167.1 | 41.6 | -36.1 | 0 | 0 | 0 | 112.3 | ||||
| 998 | D | 26.3 | Very low | 27.2 | Very low | 137 Ų | 137 | 150 Ų | 150 | 73% | 0.733 | 74% | 0.74 | S | S | * | * | -155.1 | 164.9 | 121.9 | -96.8 | -9.4 | 0 | 0 | 0 | 107.2 | K1000 | D998-K1000 VanDerWaalsContact CB-N 3.34Å; D998-K1000 VanDerWaalsContact CG-N 3.32Å | |||
| 999 | E | 26.4 | Very low | 27.2 | Very low | 167 Ų | 167 | 150.4 Ų | 150.4 | 78% | 0.78 | 74% | 0.743 | S | S | * | * | cis | 9.8 | 99.2 | -1.2 | -70.4 | -163.5 | 175.2 | 0 | 0 | 119.7 | ||||
| 1000 | K | 27.8 | Very low | 26.8 | Very low | 163 Ų | 163 | 148.8 Ų | 148.8 | 71% | 0.709 | 74% | 0.743 | S | S | * | * | -161.6 | 165 | 101.9 | -109.7 | 144.5 | -162.8 | 147.2 | 0 | 118.1 | D998 | D998-K1000 VanDerWaalsContact CB-N 3.34Å; D998-K1000 VanDerWaalsContact CG-N 3.32Å | |||
| 1001 | L | 28 | Very low | 27.8 | Very low | 160 Ų | 160 | 146.5 Ų | 146.5 | 84% | 0.838 | 74% | 0.736 | S | S | * | * | trans | -60.5 | 162.5 | 165.2 | -75 | 67 | 0 | 0 | 0 | 111.6 | E1003 | L1001-E1003 PolarHBondContact O-N 3.37Š| ||
| 1002 | F | 25.6 | Very low | 27.8 | Very low | 204 Ų | 204 | 148.2 Ų | 148.2 | 90% | 0.895 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -48.1 | 111.1 | 159.4 | -108.8 | -87.9 | 0 | 0 | 0 | 113 | ||
| 1003 | E | 28.6 | Very low | 27.9 | Very low | 126 Ų | 126 | 142.2 Ų | 142.2 | 59% | 0.589 | 73% | 0.73 | S | S | * | * | trans | 42 | 104.3 | 150.7 | -61.1 | -153.5 | 104.5 | 0 | 0 | 122.8 | L1001 | L1001-E1003 PolarHBondContact O-N 3.37Š| ||
| 1004 | K | 26 | Very low | 27.6 | Very low | 170 Ų | 170 | 141.9 Ų | 141.9 | 74% | 0.739 | 73% | 0.73 | S | S | * | * | 66.4 | 159.1 | 115.6 | -63.8 | 166.8 | -170.1 | 160.8 | 0 | 121.6 | |||||
| 1005 | V | 26.8 | Very low | 27.7 | Very low | 128 Ų | 128 | 143.5 Ų | 143.5 | 78% | 0.776 | 74% | 0.735 | S | S | * | * | trans | 74.1 | 118 | 167.3 | -166.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1006 | D | 24.3 | Very low | 27.9 | Very low | 128 Ų | 128 | 141.8 Ų | 141.8 | 68% | 0.684 | 73% | 0.732 | S | S | * | * | cis | -158 | 166 | 3.7 | -122.5 | -9.1 | 0 | 0 | 0 | 113.2 | ||||
| 1007 | F | 27.1 | Very low | 28.1 | Very low | 169 Ų | 169 | 138.9 Ų | 138.9 | 74% | 0.741 | 72% | 0.724 | S | S | * | * | trans | 36.8 | 105.6 | 159.7 | -73.6 | -84.1 | 0 | 0 | 0 | 123.8 | ||||
| 1008 | V | 28.1 | Very low | 28.2 | Very low | 113 Ų | 113 | 137.8 Ų | 137.8 | 69% | 0.685 | 72% | 0.716 | S | S | * | * | 65.3 | 134.8 | 110.6 | 172.9 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 1009 | D | 27.7 | Very low | 28.4 | Very low | 162 Ų | 162 | 135.7 Ų | 135.7 | 87% | 0.866 | 70% | 0.704 | S | S | * | * | trans | 87.3 | 149.5 | 157.8 | -74.4 | -16.5 | 0 | 0 | 0 | 123.4 | ||||
| 1010 | D | 24.7 | Very low | 28.6 | Very low | 152 Ų | 152 | 131.4 Ų | 131.4 | 81% | 0.813 | 69% | 0.687 | S | S | * | * | trans | -101.5 | -174.5 | -167.5 | -124.3 | -19.8 | 0 | 0 | 0 | 111.4 | ||||
| 1011 | P | 42.7 | Very low | 28.6 | Very low | 95 Ų | 95 | 130 Ų | 130 | 62% | 0.617 | 68% | 0.681 | S | S | * | * | cis | -143.5 | -166.6 | -23.5 | 40.9 | -21.6 | 0 | 0 | 0 | 115.5 | ||||
| 1012 | I | 27.8 | Very low | 28.7 | Very low | 152 Ų | 152 | 127.8 Ų | 127.8 | 78% | 0.779 | 67% | 0.674 | S | S | * | * | trans | 92.7 | 123.5 | 146.9 | -76.7 | 169.7 | 0 | 0 | 0 | 123.3 | ||||
| 1013 | S | 27.9 | Very low | 28.8 | Very low | 97 Ų | 97 | 122 Ų | 122 | 68% | 0.678 | 65% | 0.652 | S | S | * | * | trans | 77.5 | 130.4 | 147.5 | 67.1 | 0 | 0 | 0 | 0 | 126.3 | ||||
| 1014 | D | 26.8 | Very low | 28.7 | Very low | 136 Ų | 136 | 123.2 Ų | 123.2 | 73% | 0.727 | 66% | 0.658 | S | S | * | * | trans | 80.6 | 96.6 | 132.3 | -67.3 | -3.6 | 0 | 0 | 0 | 126 | ||||
| 1015 | Q | 28.4 | Very low | 28.7 | Very low | 166 Ų | 166 | 118.9 Ų | 118.9 | 78% | 0.776 | 65% | 0.649 | S | S | * | * | 62.5 | 115 | 112.7 | -69.6 | -160.9 | 34.3 | 0 | 0 | 123.8 | |||||
| 1016 | S | 27.5 | Very low | 28.7 | Very low | 89 Ų | 89 | 117.1 Ų | 117.1 | 62% | 0.622 | 64% | 0.641 | S | S | * | * | 107.8 | 156.8 | 117.2 | 78.1 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 1017 | I | 28.9 | Very low | 28.8 | Very low | 118 Ų | 118 | 118.7 Ų | 118.7 | 61% | 0.605 | 64% | 0.644 | S | S | * | * | trans | 70.4 | 141.8 | 168.7 | -59.1 | 167.6 | 0 | 0 | 0 | 112.8 | N291 | N291-I1017 PolarHBondContact ND2-O 3.19Š| ||
| 1018 | T | 35.8 | Very low | 29 | Very low | 62 Ų | 62 | 116.8 Ų | 116.8 | 38% | 0.38 | 64% | 0.641 | S | S | . | * | cis | -98.5 | 150 | 20.1 | 41.9 | 0 | 0 | 0 | 0 | 114.7 | N291 S292 | N291-T1018 PolarHBondContact O-OG1 2.82Å; S292-T1018 WeakPolarHBondContact CB-OG1 3.06Å; S292-T1018 PolarHBondContact O-OG1 3.33Å; S292-T1018 PolarHBondContact OG-N 2.83Å; S292-T1018 PolarHBondContact OG-O 2.92Å; S292-T1018 VanDerWaalsContact OG-O 3.11Å; S292-T1018 PolarHBondContact OG-OG1 3.25Å | ||
| 1019 | D | 29.1 | Very low | 29.4 | Very low | 92 Ų | 92 | 117.8 Ų | 117.8 | 49% | 0.492 | 64% | 0.639 | S | S | . | * | 63.1 | 138.4 | 59.9 | -74.2 | -39.8 | 0 | 0 | 0 | 114.8 | H293 | H293-D1019 CarbonylContact C-O 3.57Å; H293-D1019 WeakPolarHBondContact CA-O 3.4Å; H293-D1019 WeakPolarHBondContact CB-O 3.23Å; H293-D1019 VanDerWaalsContact O-O 3.05Å | |||
| 1020 | N | 30.5 | Very low | 29.9 | Very low | 78 Ų | 78 | 114.7 Ų | 114.7 | 42% | 0.417 | 62% | 0.622 | S | S | . | * | cis | -157.9 | 178.5 | -31.5 | -136.8 | -38.9 | 0 | 0 | 0 | 114 | ||||
| 1021 | K | 28.8 | Very low | 29.9 | Very low | 133 Ų | 133 | 113.2 Ų | 113.2 | 58% | 0.578 | 61% | 0.613 | S | S | * | * | trans | -57.4 | 161.5 | 177.6 | -56.9 | 145.2 | 172.4 | -174.3 | 0 | 116 | T295 N1023 | T295-K1021 VanDerWaalsContact CG2-C 3.44Å; T295-K1021 VanDerWaalsContact CG2-O 3.25Å; T295-K1021 WeakPolarHBondContact CG2-O 3.14Å; K1021-N1023 HydrophobicContact CB-CB 4.26Å; K1021-N1023 WeakPolarHBondContact CB-OD1 3.39Å; K1021-N1023 WeakPolarHBondContact CD-OD1 3.25Å; K1021-N1023 WeakPolarHBondContact CG-OD1 3.47Å | ||
| 1022 | V | 29.5 | Very low | 29.5 | Very low | 113 Ų | 113 | 117.2 Ų | 117.2 | 69% | 0.685 | 62% | 0.624 | S | S | * | * | -137.5 | 109.2 | 106.4 | 163 | 0 | 0 | 0 | 0 | 105.2 | T295 | T295-V1022 HydrophobicContact CG2-CB 3.99Å; T295-V1022 HydrophobicContact CG2-CG2 3.99Å | |||
| 1023 | N | 28.5 | Very low | 29.3 | Very low | 82 Ų | 82 | 115.5 Ų | 115.5 | 44% | 0.439 | 62% | 0.616 | S | S | . | * | 70.1 | 115.4 | 62.5 | -89.1 | 35 | 0 | 0 | 0 | 114.2 | K1021 | K1021-N1023 HydrophobicContact CB-CB 4.26Å; K1021-N1023 WeakPolarHBondContact CB-OD1 3.39Å; K1021-N1023 WeakPolarHBondContact CD-OD1 3.25Å; K1021-N1023 WeakPolarHBondContact CG-OD1 3.47Å | |||
| 1024 | Q | 26.8 | Very low | 29 | Very low | 152 Ų | 152 | 113.5 Ų | 113.5 | 71% | 0.71 | 61% | 0.611 | S | S | * | * | 82 | 148.5 | 64.8 | -84 | -167 | -47.6 | 0 | 0 | 112.9 | |||||
| 1025 | S | 26 | Very low | 28.9 | Very low | 79 Ų | 79 | 115 Ų | 115 | 55% | 0.552 | 61% | 0.614 | S | S | * | * | cis | 177.2 | -165.6 | -25.3 | 49.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1026 | C | 25.5 | Very low | 28.7 | Very low | 91 Ų | 91 | 113 Ų | 113 | 62% | 0.615 | 61% | 0.608 | S | S | * | * | trans | 75.8 | 155.1 | 155.9 | -61 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1027 | E | 27.5 | Very low | 28.6 | Very low | 161 Ų | 161 | 115 Ų | 115 | 75% | 0.752 | 61% | 0.61 | S | S | * | * | cis | -176 | -145.2 | -27.3 | -109.3 | 159.1 | 175.1 | 0 | 0 | 105.7 | ||||
| 1028 | L | 31.3 | Very low | 28.4 | Very low | 129 Ų | 129 | 114.4 Ų | 114.4 | 68% | 0.675 | 61% | 0.611 | S | S | * | * | trans | 81.7 | 173.3 | 144.8 | -50 | 177.6 | 0 | 0 | 0 | 117.6 | ||||
| 1029 | E | 36.2 | Very low | 28 | Very low | 135 Ų | 135 | 118.7 Ų | 118.7 | 63% | 0.631 | 63% | 0.627 | S | S | * | * | cis | -121.6 | -123.6 | -7.2 | -161.4 | 90.5 | -103.9 | 0 | 0 | 109.4 | ||||
| 1030 | D | 37.2 | Very low | 28 | Very low | 96 Ų | 96 | 121.8 Ų | 121.8 | 51% | 0.513 | 64% | 0.644 | S | S | . | * | cis | -146.1 | 135.9 | -2.4 | -89.3 | -62.9 | 0 | 0 | 0 | 108.2 | N1033 | D1030-N1033 WeakPolarHBondContact OD1-CA 3.35Å; D1030-N1033 WeakPolarHBondContact OD1-CB 3.01Å; D1030-N1033 PolarHBondContact OD1-N 3.35Å; D1030-N1033 PolarHBondContact OD1-ND2 3.23Å | ||
| 1031 | L | 25.3 | Very low | 28.3 | Very low | 121 Ų | 121 | 122.8 Ų | 122.8 | 63% | 0.634 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -149.8 | 90.1 | 154.2 | -131.3 | -161.7 | 0 | 0 | 0 | 106.8 | D944 | D944-L1031 HydrophobicContact CB-CD2 4.17Š|
| 1032 | E | 34.7 | Very low | 28.1 | Very low | 179 Ų | 179 | 126.8 Ų | 126.8 | 84% | 0.836 | 67% | 0.667 | S | S | * | * | S | Bend | 58.7 | 110 | -129.9 | -65.6 | -159.9 | 143.6 | 0 | 0 | 110 | |||
| 1033 | N | 22.4 | Very low | 28.4 | Very low | 116 Ų | 116 | 125.6 Ų | 125.6 | 62% | 0.62 | 66% | 0.662 | S | S | * | * | S | Bend | cis | -64.4 | 155 | 9.8 | -56.8 | -82.3 | 0 | 0 | 0 | 113.3 | D1030 | D1030-N1033 WeakPolarHBondContact OD1-CA 3.35Å; D1030-N1033 WeakPolarHBondContact OD1-CB 3.01Å; D1030-N1033 PolarHBondContact OD1-N 3.35Å; D1030-N1033 PolarHBondContact OD1-ND2 3.23Å |
| 1034 | G | 23.3 | Very low | 28 | Very low | 55 Ų | 55 | 128 Ų | 128 | 57% | 0.567 | 67% | 0.673 | S | S | * | * | trans | -64.5 | 156.8 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1035 | Q | 23.4 | Very low | 27.9 | Very low | 169 Ų | 169 | 126.5 Ų | 126.5 | 79% | 0.79 | 67% | 0.669 | S | S | * | * | S | Bend | 17.5 | 132.5 | 123.1 | -156.3 | -150.3 | 7.4 | 0 | 0 | 116.4 | |||
| 1036 | L | 23.9 | Very low | 28 | Very low | 123 Ų | 123 | 128.4 Ų | 128.4 | 64% | 0.644 | 68% | 0.678 | S | S | * | * | trans | 92.1 | 126.7 | 162.7 | -49.7 | 173.9 | 0 | 0 | 0 | 116.4 | ||||
| 1037 | I | 26.3 | Very low | 28 | Very low | 131 Ų | 131 | 128.9 Ų | 128.9 | 67% | 0.672 | 68% | 0.681 | S | S | * | * | 78.8 | 112.5 | 124.2 | -74.4 | 176.5 | 0 | 0 | 0 | 116.6 | |||||
| 1038 | V | 25.5 | Very low | 28.1 | Very low | 105 Ų | 105 | 128.7 Ų | 128.7 | 64% | 0.636 | 68% | 0.677 | S | S | * | * | 67.6 | 126.4 | 73.9 | 153.8 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 1039 | Q | 26.7 | Very low | 28.1 | Very low | 152 Ų | 152 | 128.4 Ų | 128.4 | 71% | 0.71 | 67% | 0.673 | S | S | * | * | cis | -161.1 | 145.9 | -4.5 | -106.3 | 153.5 | 12.9 | 0 | 0 | 105.7 | P1041 | Q1039-P1041 WeakPolarHBondContact O-CD 2.89Š| ||
| 1040 | N | 29.6 | Very low | 27.5 | Very low | 158 Ų | 158 | 129.2 Ų | 129.2 | 85% | 0.845 | 68% | 0.678 | S | S | * | * | trans | 60.1 | -135.4 | 154.7 | -147.1 | 1.3 | 0 | 0 | 0 | 107.8 | ||||
| 1041 | P | 36.6 | Very low | 27 | Very low | 98 Ų | 98 | 130 Ų | 130 | 64% | 0.636 | 68% | 0.682 | S | S | * | * | cis | -121.2 | 156.2 | -21.1 | 41.1 | -27.4 | 0 | 0 | 0 | 113.8 | Q1039 | Q1039-P1041 WeakPolarHBondContact O-CD 2.89Š| ||
| 1042 | Y | 23.9 | Very low | 27.1 | Very low | 217 Ų | 217 | 134.7 Ų | 134.7 | 85% | 0.851 | 69% | 0.692 | S | S | * | * | trans | -63.1 | 143.3 | 144 | -85.7 | -84.8 | 0 | 0 | 0 | 108.5 | ||||
| 1043 | P | 35.1 | Very low | 26.9 | Very low | 88 Ų | 88 | 131.7 Ų | 131.7 | 57% | 0.571 | 69% | 0.69 | S | S | * | * | cis | -140.7 | -143.3 | 0.1 | 29.6 | -2.5 | 0 | 0 | 0 | 111.1 | ||||
| 1044 | M | 21 | Very low | 27.1 | Very low | 134 Ų | 134 | 129.5 Ų | 129.5 | 66% | 0.66 | 70% | 0.696 | S | S | * | * | trans | 81.9 | 105.3 | 151.7 | -78.4 | -161.2 | 172.7 | 0 | 0 | 120.7 | ||||
| 1045 | N | 24.8 | Very low | 27.4 | Very low | 120 Ų | 120 | 132.4 Ų | 132.4 | 64% | 0.642 | 71% | 0.707 | S | S | * | * | 82.5 | 150.4 | 112 | -65.4 | -2.4 | 0 | 0 | 0 | 121.2 | |||||
| 1046 | T | 27 | Very low | 27.8 | Very low | 119 Ų | 119 | 131.6 Ų | 131.6 | 73% | 0.73 | 71% | 0.708 | S | S | * | * | trans | 29.4 | 127.7 | 138.9 | 67.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1047 | C | 26.8 | Very low | 28.5 | Very low | 101 Ų | 101 | 131.6 Ų | 131.6 | 68% | 0.682 | 72% | 0.715 | S | S | * | * | cis | -173.6 | -164.5 | 13.6 | -128 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1048 | K | 29.7 | Very low | 28.6 | Very low | 156 Ų | 156 | 131.4 Ų | 131.4 | 68% | 0.678 | 72% | 0.715 | S | S | * | * | trans | 2.8 | 141.6 | 133.7 | -60.5 | 157.9 | 152.9 | -89.4 | 0 | 116 | ||||
| 1049 | E | 30.1 | Very low | 28.7 | Very low | 123 Ų | 123 | 132.5 Ų | 132.5 | 58% | 0.575 | 72% | 0.716 | S | S | * | * | cis | -152.5 | 161.2 | 17.4 | -127.9 | 132.6 | -137.2 | 0 | 0 | 109.4 | ||||
| 1050 | M | 25.2 | Very low | 28.9 | Very low | 152 Ų | 152 | 130.8 Ų | 130.8 | 75% | 0.749 | 72% | 0.721 | S | S | * | * | 25.9 | 135.1 | 110.4 | -45.1 | -176.7 | -167.8 | 0 | 0 | 115 | |||||
| 1051 | N | 25.9 | Very low | 28.8 | Very low | 112 Ų | 112 | 129.6 Ų | 129.6 | 60% | 0.599 | 71% | 0.714 | S | S | * | * | cis | -175.7 | 149.7 | 48.1 | -132.2 | -43.9 | 0 | 0 | 0 | 111.7 | ||||
| 1052 | R | 27.5 | Very low | 28.3 | Very low | 220 Ų | 220 | 133.4 Ų | 133.4 | 83% | 0.83 | 72% | 0.721 | S | S | * | * | trans | 66.3 | 153.6 | 159.5 | -58.3 | 148.9 | -166.3 | -169.1 | -0.4 | 115.7 | ||||
| 1053 | S | 30 | Very low | 28.6 | Very low | 116 Ų | 116 | 131.5 Ų | 131.5 | 81% | 0.811 | 72% | 0.718 | S | S | * | * | cis | -142.9 | 151.7 | -6.8 | 30.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1054 | G | 27.7 | Very low | 28.6 | Very low | 71 Ų | 71 | 134.7 Ų | 134.7 | 73% | 0.732 | 73% | 0.729 | S | S | * | * | 81.9 | 127.8 | 58.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 1055 | S | 28.2 | Very low | 29.2 | Very low | 116 Ų | 116 | 134.3 Ų | 134.3 | 81% | 0.811 | 74% | 0.735 | S | S | * | * | cis | -162 | 160.9 | 4.2 | 52.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1056 | L | 31.7 | Very low | 29.3 | Very low | 152 Ų | 152 | 133.6 Ų | 133.6 | 80% | 0.796 | 74% | 0.739 | S | S | * | * | trans | -62.3 | 153.8 | 165.5 | -75.5 | 146.8 | 0 | 0 | 0 | 112.3 | N1058 | L1056-N1058 HydrophobicContact CB-CB 4.36Š| ||
| 1057 | P | 40 | Very low | 29.3 | Very low | 123 Ų | 123 | 132.7 Ų | 132.7 | 80% | 0.799 | 74% | 0.738 | S | S | * | * | -140.1 | 125.5 | 109.9 | 35.1 | -21.8 | 0 | 0 | 0 | 111.7 | |||||
| 1058 | N | 26.9 | Very low | 29.4 | Very low | 127 Ų | 127 | 133.1 Ų | 133.1 | 68% | 0.679 | 74% | 0.742 | S | S | * | * | cis | 77.2 | 131.3 | 37.8 | -151.4 | 15.9 | 0 | 0 | 0 | 115.4 | L1056 | L1056-N1058 HydrophobicContact CB-CB 4.36Š| ||
| 1059 | I | 28.2 | Very low | 29.7 | Very low | 128 Ų | 128 | 129.3 Ų | 129.3 | 66% | 0.656 | 73% | 0.733 | S | S | * | * | trans | 78.6 | 104.5 | 165.3 | -51 | 159.7 | 0 | 0 | 0 | 119.3 | ||||
| 1060 | S | 29.9 | Very low | 30.1 | Very low | 115 Ų | 115 | 129.7 Ų | 129.7 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | -172.7 | 110.1 | 114.9 | 49.5 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 1061 | N | 27.9 | Very low | 30.4 | Very low | 133 Ų | 133 | 125.7 Ų | 125.7 | 71% | 0.711 | 73% | 0.733 | S | S | * | * | 90.4 | 117.4 | 65.6 | -91.4 | -6.1 | 0 | 0 | 0 | 115.3 | |||||
| 1062 | F | 26.9 | Very low | 30.6 | Very low | 178 Ų | 178 | 126.3 Ų | 126.3 | 78% | 0.781 | 74% | 0.743 | S | S | * | * | trans | 67.7 | 89.7 | 152.7 | -79.2 | -92.5 | 0 | 0 | 0 | 122 | ||||
| 1063 | F | 29.5 | Very low | 30.6 | Very low | 178 Ų | 178 | 121 Ų | 121 | 78% | 0.781 | 74% | 0.736 | S | S | * | * | 34.2 | 124.3 | 108.7 | -81.9 | -103.4 | 0 | 0 | 0 | 121.2 | |||||
| 1064 | L | 35.6 | Very low | 30.4 | Very low | 154 Ų | 154 | 121.3 Ų | 121.3 | 81% | 0.806 | 73% | 0.728 | S | S | * | * | trans | 66.6 | 123.3 | 138.9 | -67.6 | 174.5 | 0 | 0 | 0 | 122.4 | ||||
| 1065 | T | 33.1 | Very low | 30.2 | Very low | 126 Ų | 126 | 122.7 Ų | 122.7 | 77% | 0.773 | 72% | 0.722 | S | S | * | * | trans | -132.3 | 105.8 | 146.5 | 50.1 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 1066 | S | 26.9 | Very low | 30.3 | Very low | 105 Ų | 105 | 124.3 Ų | 124.3 | 73% | 0.734 | 72% | 0.716 | S | S | * | * | 81 | 136.5 | 83.8 | 76 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1067 | S | 28.4 | Very low | 30 | Very low | 101 Ų | 101 | 127 Ų | 127 | 71% | 0.706 | 72% | 0.722 | S | S | * | * | cis | -168.1 | 152.7 | 12.1 | 48.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1068 | S | 27.1 | Very low | 29.5 | Very low | 110 Ų | 110 | 128 Ų | 128 | 77% | 0.769 | 71% | 0.714 | S | S | * | * | trans | 75.5 | 151.9 | 143.9 | -62.7 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1069 | P | 37.1 | Very low | 29.5 | Very low | 75 Ų | 75 | 129 Ų | 129 | 49% | 0.487 | 71% | 0.714 | S | S | . | * | trans | -121.8 | 175.2 | -171.7 | 44.1 | -32.1 | 0 | 0 | 0 | 114.7 | V1075 | P1069-V1075 HydrophobicContact CG-CG2 4.16Š| ||
| 1070 | P | 37.4 | Very low | 29.4 | Very low | 131 Ų | 131 | 129 Ų | 129 | 85% | 0.851 | 72% | 0.72 | S | S | * | * | trans | -86.5 | 114.5 | 141.9 | 32.9 | -24.9 | 0 | 0 | 0 | 109.9 | ||||
| 1071 | S | 32 | Very low | 29.2 | Very low | 68 Ų | 68 | 131.1 Ų | 131.1 | 48% | 0.476 | 72% | 0.722 | S | S | . | * | trans | -86.5 | 179.3 | 163.4 | 67.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1072 | P | 31.1 | Very low | 29.1 | Very low | 126 Ų | 126 | 129.2 Ų | 129.2 | 82% | 0.818 | 72% | 0.719 | S | S | * | * | S | Bend | -108.4 | 140 | 59.7 | 34.8 | -34.9 | 0 | 0 | 0 | 113.5 | |||
| 1073 | T | 27.6 | Very low | 29.3 | Very low | 109 Ų | 109 | 129.4 Ų | 129.4 | 67% | 0.669 | 72% | 0.719 | S | S | * | * | S | Bend | cis | -142.9 | 141.5 | -2.2 | 11.3 | 0 | 0 | 0 | 0 | 109.7 | ||
| 1074 | D | 26.2 | Very low | 29.3 | Very low | 122 Ų | 122 | 128.2 Ų | 128.2 | 65% | 0.652 | 72% | 0.716 | S | S | * | * | trans | 49.2 | 134.9 | 155.7 | -51.5 | -19.7 | 0 | 0 | 0 | 120 | ||||
| 1075 | V | 22.3 | Very low | 28.8 | Very low | 99 Ų | 99 | 127 Ų | 127 | 60% | 0.6 | 71% | 0.711 | S | S | * | * | cis | 55.6 | 55.5 | 3.8 | -158.1 | 0 | 0 | 0 | 0 | 115.8 | P1069 | P1069-V1075 HydrophobicContact CG-CG2 4.16Š| ||
| 1076 | H | 30.9 | Very low | 28.7 | Very low | 150 Ų | 150 | 130.7 Ų | 130.7 | 69% | 0.694 | 72% | 0.716 | S | S | * | * | trans | -141 | 94.6 | 131.9 | -120 | 62.7 | 0 | 0 | 0 | 112.7 | ||||
| 1077 | F | 26 | Very low | 28.9 | Very low | 209 Ų | 209 | 133 Ų | 133 | 92% | 0.917 | 72% | 0.72 | S | S | * | * | trans | -102 | 104.5 | 147.1 | -154.8 | -83 | 0 | 0 | 0 | 107.7 | ||||
| 1078 | K | 28.4 | Very low | 28.8 | Very low | 145 Ų | 145 | 133 Ų | 133 | 63% | 0.63 | 72% | 0.72 | S | S | * | * | trans | -136.8 | 112 | 171 | -155.1 | -178.9 | -171.9 | -172.8 | 0 | 110.5 | ||||
| 1079 | Q | 27.6 | Very low | 28.8 | Very low | 146 Ų | 146 | 137 Ų | 137 | 68% | 0.682 | 73% | 0.726 | S | S | * | * | trans | 52.4 | 111.6 | 154.1 | -64.6 | 172.9 | -66.6 | 0 | 0 | 118.5 | ||||
| 1080 | V | 26.2 | Very low | 28.3 | Very low | 129 Ų | 129 | 136.9 Ų | 136.9 | 78% | 0.782 | 74% | 0.739 | S | S | * | * | 42.9 | 104.2 | 122.5 | -175.2 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 1081 | L | 25.5 | Very low | 27.9 | Very low | 159 Ų | 159 | 140.6 Ų | 140.6 | 83% | 0.832 | 74% | 0.742 | S | S | * | * | -155.3 | 131.5 | 121.8 | -110.3 | 170.9 | 0 | 0 | 0 | 112.8 | |||||
| 1082 | S | 26.3 | Very low | 27.7 | Very low | 94 Ų | 94 | 142.6 Ų | 142.6 | 66% | 0.657 | 76% | 0.755 | S | S | * | * | trans | 58.2 | 112.7 | 158.5 | 57.4 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1083 | K | 30.1 | Very low | 27.4 | Very low | 181 Ų | 181 | 144 Ų | 144 | 79% | 0.787 | 76% | 0.755 | S | S | * | * | 87.4 | 114.9 | 123.3 | -71.7 | -179.5 | 178.5 | -179.8 | 0 | 122.1 | |||||
| 1084 | Q | 29 | Very low | 27.5 | Very low | 154 Ų | 154 | 146.3 Ų | 146.3 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | 96.7 | 93.3 | 126.3 | -73 | 177.4 | -53 | 0 | 0 | 120.9 | |||||
| 1085 | N | 26.3 | Very low | 27.4 | Very low | 129 Ų | 129 | 148 Ų | 148 | 69% | 0.69 | 77% | 0.772 | S | S | * | * | 50.4 | 128.7 | 121.9 | -51.2 | 18.9 | 0 | 0 | 0 | 118.1 | |||||
| 1086 | K | 31.2 | Very low | 27.7 | Very low | 203 Ų | 203 | 150.6 Ų | 150.6 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | -152 | 160.2 | 59.2 | -83.1 | 177.5 | 177.1 | 177.3 | 0 | 114.1 | |||||
| 1087 | D | 29.3 | Very low | 27.3 | Very low | 154 Ų | 154 | 151.8 Ų | 151.8 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | trans | -100.9 | 175.8 | -160.9 | -47 | -88.9 | 0 | 0 | 0 | 115.1 | ||||
| 1088 | S | 26.3 | Very low | 27.4 | Very low | 101 Ų | 101 | 150.5 Ų | 150.5 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | trans | -122.3 | 138.9 | -173.5 | 61.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1089 | H | 27 | Very low | 27.4 | Very low | 193 Ų | 193 | 151 Ų | 151 | 89% | 0.894 | 79% | 0.788 | S | S | * | * | trans | 57.2 | 125.8 | 150.8 | -71.2 | -59.4 | 0 | 0 | 0 | 123.1 | ||||
| 1090 | G | 28.6 | Very low | 27.4 | Very low | 73 Ų | 73 | 152 Ų | 152 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | trans | 101.2 | 155.5 | 142.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1091 | K | 28.8 | Very low | 27.5 | Very low | 209 Ų | 209 | 149.6 Ų | 149.6 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | cis | -162.4 | 143.7 | -7.6 | -127.5 | 178 | -175.4 | 177.5 | 0 | 109.5 | ||||
| 1092 | S | 26.9 | Very low | 27.7 | Very low | 109 Ų | 109 | 149.3 Ų | 149.3 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | trans | 55.6 | 112.8 | 158.4 | 176.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 1093 | L | 25.2 | Very low | 27.7 | Very low | 157 Ų | 157 | 149.3 Ų | 149.3 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | -172.2 | 162.8 | 119.1 | -108.2 | 165.9 | 0 | 0 | 0 | 113.5 | |||||
| 1094 | L | 28.8 | Very low | 27.5 | Very low | 156 Ų | 156 | 145.9 Ų | 145.9 | 82% | 0.817 | 78% | 0.779 | S | S | * | * | trans | 66 | 142.8 | 167.2 | -74.8 | 162.3 | 0 | 0 | 0 | 118.9 | ||||
| 1095 | N | 24.4 | Very low | 27.3 | Very low | 159 Ų | 159 | 144.7 Ų | 144.7 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | trans | -118.5 | 114.7 | 174.3 | -173.7 | 22.9 | 0 | 0 | 0 | 106.8 | ||||
| 1096 | L | 28.4 | Very low | 27.3 | Very low | 153 Ų | 153 | 144.3 Ų | 144.3 | 80% | 0.801 | 78% | 0.775 | S | S | * | * | trans | -154.8 | 148.1 | 174.5 | -114.9 | 168.3 | 0 | 0 | 0 | 109.1 | ||||
| 1097 | Q | 22.9 | Very low | 27.1 | Very low | 174 Ų | 174 | 139.9 Ų | 139.9 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | trans | -82.2 | 134.8 | -176 | -62.5 | 145.4 | -102.5 | 0 | 0 | 110.6 | ||||
| 1098 | E | 27.7 | Very low | 27.2 | Very low | 182 Ų | 182 | 139.6 Ų | 139.6 | 85% | 0.85 | 76% | 0.764 | S | S | * | * | trans | -153.8 | 111.5 | 138.7 | -122.7 | 165 | -153.7 | 0 | 0 | 113 | ||||
| 1099 | H | 28.5 | Very low | 27.2 | Very low | 155 Ų | 155 | 140 Ų | 140 | 72% | 0.718 | 76% | 0.758 | S | S | * | * | trans | 39 | 141.6 | 136.2 | -78.2 | -77.1 | 0 | 0 | 0 | 124.2 | ||||
| 1100 | Q | 28.5 | Very low | 27.3 | Very low | 169 Ų | 169 | 137.3 Ų | 137.3 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | trans | 76.4 | 149.2 | 146 | -71.8 | 164.7 | 59.9 | 0 | 0 | 118.8 | ||||
| 1101 | S | 27 | Very low | 27.1 | Very low | 78 Ų | 78 | 140.5 Ų | 140.5 | 55% | 0.545 | 75% | 0.749 | S | S | . | * | cis | -177 | 148.6 | -34.9 | 48.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1102 | N | 29.9 | Very low | 27.2 | Very low | 152 Ų | 152 | 136.9 Ų | 136.9 | 81% | 0.813 | 74% | 0.738 | S | S | * | * | trans | 66.2 | 165.2 | 159.3 | -54.9 | -15.2 | 0 | 0 | 0 | 116.4 | ||||
| 1103 | S | 26.5 | Very low | 27.3 | Very low | 94 Ų | 94 | 137.3 Ų | 137.3 | 66% | 0.657 | 73% | 0.732 | S | S | * | * | cis | -171.1 | 150.6 | -40.1 | 57.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1104 | C | 25.7 | Very low | 27.5 | Very low | 109 Ų | 109 | 136 Ų | 136 | 74% | 0.736 | 72% | 0.721 | S | S | * | * | trans | 58.3 | 112.5 | 150.1 | -63.3 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1105 | N | 25.5 | Very low | 27.6 | Very low | 129 Ų | 129 | 135.6 Ų | 135.6 | 69% | 0.69 | 72% | 0.715 | S | S | * | * | 66.9 | 117.5 | 119 | -72.4 | 59.6 | 0 | 0 | 0 | 122 | |||||
| 1106 | D | 25.9 | Very low | 27.8 | Very low | 122 Ų | 122 | 133.1 Ų | 133.1 | 65% | 0.652 | 70% | 0.702 | S | S | * | * | 100.1 | 107.8 | 117.3 | -63.8 | -9 | 0 | 0 | 0 | 122 | |||||
| 1107 | T | 26.7 | Very low | 27.8 | Very low | 109 Ų | 109 | 134.2 Ų | 134.2 | 67% | 0.669 | 70% | 0.697 | S | S | * | * | trans | 71.5 | 122.6 | 132.2 | 62.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1108 | N | 31.3 | Very low | 28 | Very low | 148 Ų | 148 | 133.1 Ų | 133.1 | 79% | 0.791 | 69% | 0.692 | S | S | * | * | -178.2 | 149.9 | 125.9 | -94.3 | -61.3 | 0 | 0 | 0 | 109 | |||||
| 1109 | N | 27.9 | Very low | 27.9 | Very low | 109 Ų | 109 | 129.4 Ų | 129.4 | 58% | 0.583 | 68% | 0.681 | S | S | * | * | cis | -172.6 | 149.6 | -39.1 | -124 | -29.2 | 0 | 0 | 0 | 109.5 | ||||
| 1110 | I | 27.8 | Very low | 27.9 | Very low | 138 Ų | 138 | 128.1 Ų | 128.1 | 71% | 0.708 | 68% | 0.68 | S | S | * | * | trans | 61.8 | 149.3 | 143.3 | -71.6 | 163.5 | 0 | 0 | 0 | 118.9 | ||||
| 1111 | N | 25.3 | Very low | 27.7 | Very low | 140 Ų | 140 | 127.7 Ų | 127.7 | 75% | 0.749 | 68% | 0.678 | S | S | * | * | cis | -176.2 | -155.9 | -26 | -168.2 | 5.2 | 0 | 0 | 0 | 105.8 | ||||
| 1112 | I | 29.6 | Very low | 27.7 | Very low | 132 Ų | 132 | 130.6 Ų | 130.6 | 68% | 0.677 | 69% | 0.686 | S | S | * | * | trans | 77.6 | 122.5 | 160.1 | -64.8 | 167.4 | 0 | 0 | 0 | 112.8 | ||||
| 1113 | D | 29.1 | Very low | 27.5 | Very low | 119 Ų | 119 | 129.3 Ų | 129.3 | 64% | 0.636 | 68% | 0.679 | S | S | * | * | cis | -167 | 176.2 | 6.4 | -126.8 | 5 | 0 | 0 | 0 | 110.5 | ||||
| 1114 | Q | 31 | Very low | 27.3 | Very low | 128 Ų | 128 | 131.7 Ų | 131.7 | 60% | 0.598 | 69% | 0.685 | S | S | * | * | cis | -159.2 | 163.3 | -6 | -154.3 | -177.5 | 96.1 | 0 | 0 | 108.6 | ||||
| 1115 | Q | 29.3 | Very low | 27.2 | Very low | 148 Ų | 148 | 137.5 Ų | 137.5 | 69% | 0.692 | 69% | 0.691 | S | S | * | * | trans | 66.9 | 137.4 | 163.6 | -53.5 | -176.2 | 23.5 | 0 | 0 | 116.9 | ||||
| 1116 | N | 28.2 | Very low | 27.1 | Very low | 107 Ų | 107 | 137.2 Ų | 137.2 | 57% | 0.572 | 69% | 0.69 | S | S | * | * | cis | -164.7 | 173 | -6.1 | -112.2 | -28 | 0 | 0 | 0 | 107.8 | ||||
| 1117 | Y | 28.5 | Very low | 27.1 | Very low | 176 Ų | 176 | 137.6 Ų | 137.6 | 69% | 0.69 | 69% | 0.69 | S | S | * | * | cis | -152.7 | 150.7 | 10.2 | -115.3 | -43 | 0 | 0 | 0 | 110.3 | ||||
| 1118 | Q | 28.1 | Very low | 26.9 | Very low | 152 Ų | 152 | 138.5 Ų | 138.5 | 71% | 0.71 | 69% | 0.691 | S | S | * | * | trans | 29.6 | 144.2 | 132 | -81.3 | -174 | -5.8 | 0 | 0 | 123.4 | ||||
| 1119 | T | 25.5 | Very low | 26.8 | Very low | 103 Ų | 103 | 139 Ų | 139 | 63% | 0.632 | 69% | 0.688 | S | S | * | * | cis | -175.4 | 168.7 | -18.8 | 10.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1120 | N | 27.7 | Very low | 26.7 | Very low | 129 Ų | 129 | 139.7 Ų | 139.7 | 69% | 0.69 | 69% | 0.692 | S | S | * | * | trans | 75.7 | 134.2 | 159.8 | -56.7 | -11 | 0 | 0 | 0 | 117.5 | ||||
| 1121 | E | 24.9 | Very low | 26.6 | Very low | 159 Ų | 159 | 138.3 Ų | 138.3 | 74% | 0.743 | 69% | 0.69 | S | S | * | * | cis | 109.1 | 147.1 | 15.3 | -77.9 | -171.9 | 172.7 | 0 | 0 | 114.4 | ||||
| 1122 | I | 27.2 | Very low | 26.5 | Very low | 139 Ų | 139 | 138 Ų | 138 | 71% | 0.713 | 69% | 0.693 | S | S | * | * | trans | 72.9 | 138 | 159.3 | -66.7 | 148.1 | 0 | 0 | 0 | 117.3 | ||||
| 1123 | N | 25.2 | Very low | 26.4 | Very low | 126 Ų | 126 | 138.6 Ų | 138.6 | 67% | 0.674 | 70% | 0.696 | S | S | * | * | cis | -176.7 | 123 | -39.3 | -95.1 | -12.6 | 0 | 0 | 0 | 107.1 | ||||
| 1124 | D | 23.6 | Very low | 26.2 | Very low | 144 Ų | 144 | 142.4 Ų | 142.4 | 77% | 0.77 | 71% | 0.707 | S | S | * | * | trans | 42.4 | -177.9 | 144.6 | -65.6 | -23.6 | 0 | 0 | 0 | 122.9 | ||||
| 1125 | W | 22.8 | Very low | 25.8 | Very low | 230 Ų | 230 | 141.3 Ų | 141.3 | 87% | 0.871 | 71% | 0.714 | S | S | * | * | trans | 66.8 | 126.3 | -179.2 | -47 | 75.4 | 0 | 0 | 0 | 113.5 | ||||
| 1126 | N | 23.3 | Very low | 25.7 | Very low | 124 Ų | 124 | 138.1 Ų | 138.1 | 66% | 0.663 | 71% | 0.708 | S | S | * | * | cis | -163.7 | 167.6 | -4.1 | -133.1 | -4.4 | 0 | 0 | 0 | 107.4 | ||||
| 1127 | I | 26.2 | Very low | 25.8 | Very low | 129 Ų | 129 | 138 Ų | 138 | 66% | 0.662 | 71% | 0.707 | S | S | * | * | cis | -151.1 | -152.6 | 6.3 | -160 | 162.6 | 0 | 0 | 0 | 109.3 | ||||
| 1128 | N | 22.9 | Very low | 26 | Very low | 128 Ų | 128 | 133.9 Ų | 133.9 | 68% | 0.684 | 70% | 0.702 | S | S | * | * | trans | -74.2 | 173.3 | 177.9 | -44.7 | -39.3 | 0 | 0 | 0 | 112 | ||||
| 1129 | E | 27.9 | Very low | 26.2 | Very low | 158 Ų | 158 | 131.2 Ų | 131.2 | 74% | 0.738 | 70% | 0.696 | S | S | * | * | cis | -157.5 | 143.6 | 40.5 | -84.1 | -155.7 | 176.2 | 0 | 0 | 115.6 | ||||
| 1130 | N | 26.8 | Very low | 26.7 | Very low | 125 Ų | 125 | 130.1 Ų | 130.1 | 67% | 0.668 | 69% | 0.686 | S | S | * | * | 57.9 | 138.9 | 127.1 | -59.9 | -23.6 | 0 | 0 | 0 | 123.5 | |||||
| 1131 | T | 25.3 | Very low | 27 | Very low | 108 Ų | 108 | 128 Ų | 128 | 66% | 0.663 | 67% | 0.673 | S | S | * | * | cis | -165.5 | 156.9 | -21.6 | -37.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1132 | V | 23.9 | Very low | 27.5 | Very low | 134 Ų | 134 | 125.8 Ų | 125.8 | 81% | 0.812 | 67% | 0.667 | S | S | * | * | trans | 58.4 | 154 | 165 | -89.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1133 | I | 27.2 | Very low | 28 | Very low | 145 Ų | 145 | 123.7 Ų | 123.7 | 74% | 0.744 | 65% | 0.654 | S | S | * | * | cis | -123.6 | 142.3 | 17.3 | -66.8 | 172.4 | 0 | 0 | 0 | 111.8 | ||||
| 1134 | K | 23.7 | Very low | 28.4 | Very low | 198 Ų | 198 | 123.2 Ų | 123.2 | 86% | 0.861 | 65% | 0.648 | S | S | * | * | trans | -90.9 | 154.6 | 163.1 | -74.9 | 179.9 | 176 | 175.8 | 0 | 110.7 | ||||
| 1135 | S | 23.9 | Very low | 28.9 | Very low | 105 Ų | 105 | 121.8 Ų | 121.8 | 73% | 0.734 | 64% | 0.635 | S | S | * | * | trans | 92.6 | 145.3 | -171.8 | 84.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1136 | S | 26.5 | Very low | 29.4 | Very low | 82 Ų | 82 | 116.2 Ų | 116.2 | 57% | 0.573 | 62% | 0.617 | S | S | * | * | cis | -131 | 170.3 | 14.2 | -72.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1137 | N | 30.2 | Very low | 29.9 | Very low | 103 Ų | 103 | 114.7 Ų | 114.7 | 55% | 0.551 | 61% | 0.609 | S | S | * | * | trans | -52 | 134.5 | -178.8 | -128 | -19.1 | 0 | 0 | 0 | 112.8 | T1139 I1140 | N1137-T1139 PolarHBondContact O-N 3.18Å; N1137-T1139 VanDerWaalsContact O-N 3.11Å; N1137-I1140 HydrophobicContact CB-CD1 4.04Å; N1137-I1140 HydrophobicContact CB-CG1 4.13Å; N1137-I1140 WeakPolarHBondContact O-CB 3.12Å; N1137-I1140 PolarHBondContact O-N 3Å | ||
| 1138 | P | 32.3 | Very low | 30.3 | Very low | 90 Ų | 90 | 114.2 Ų | 114.2 | 58% | 0.584 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -60.9 | -24.3 | 178.1 | 24.3 | -34.4 | 0 | 0 | 0 | 113.2 | I1140 I1141 N1142 | P1138-I1140 PolarHBondContact O-N 3Å; P1138-I1141 PolarHBondContact O-N 3.04Å; P1138-N1142 PolarHBondContact O-N 3.18Å |
| 1139 | T | 34.1 | Very low | 30.7 | Very low | 97 Ų | 97 | 111 Ų | 111 | 60% | 0.595 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -59.7 | -32.2 | 172.4 | -29.3 | 0 | 0 | 0 | 0 | 113.1 | N1137 Q1143 | N1137-T1139 PolarHBondContact O-N 3.18Å; N1137-T1139 VanDerWaalsContact O-N 3.11Å; T1139-Q1143 WeakPolarHBondContact O-CB 3.44Å; T1139-Q1143 PolarHBondContact O-N 3.27Å; T1139-Q1143 VanDerWaalsContact O-N 3.12Å |
| 1140 | I | 34.5 | Very low | 31 | Very low | 80 Ų | 80 | 109.1 Ų | 109.1 | 41% | 0.41 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -76.7 | -39 | -177.8 | -63.6 | 173.2 | 0 | 0 | 0 | 110.4 | N1137 P1138 Q1143 Q1144 | N1137-I1140 HydrophobicContact CB-CD1 4.04Å; N1137-I1140 HydrophobicContact CB-CG1 4.13Å; N1137-I1140 WeakPolarHBondContact O-CB 3.12Å; N1137-I1140 PolarHBondContact O-N 3Å; P1138-I1140 PolarHBondContact O-N 3Å; I1140-Q1143 PolarHBondContact O-N 3.15Å; I1140-Q1144 HydrophobicContact CG2-CG 4.43Å; I1140-Q1144 WeakPolarHBondContact O-CG 3.37Å; I1140-Q1144 PolarHBondContact O-N 3.05Å |
| 1141 | I | 34.8 | Very low | 31.4 | Very low | 83 Ų | 83 | 107.5 Ų | 107.5 | 43% | 0.426 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -61.9 | -47.1 | 175.8 | -63.5 | 174.7 | 0 | 0 | 0 | 109.8 | P1138 Q1143 Q1144 F1145 | P1138-I1141 PolarHBondContact O-N 3.04Å; I1141-Q1143 VanDerWaalsContact C-N 3.3Å; I1141-Q1143 PolarHBondContact O-N 3.47Å; I1141-Q1144 PolarHBondContact O-N 2.91Å; I1141-F1145 HydrophobicContact CG2-CD2 3.72Å; I1141-F1145 HydrophobicContact CG2-CE2 3.66Å; I1141-F1145 VanDerWaalsContact O-CD2 3.32Å; I1141-F1145 WeakPolarHBondContact O-CD2 3.44Å; I1141-F1145 PolarHBondContact O-N 2.99Å |
| 1142 | N | 35.7 | Very low | 32.1 | Very low | 113 Ų | 113 | 108.4 Ų | 108.4 | 60% | 0.604 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -63.2 | -34.1 | 176.3 | -72.8 | -1.9 | 0 | 0 | 0 | 113 | P1138 K1146 | P1138-N1142 PolarHBondContact O-N 3.18Å; N1142-K1146 PolarHBondContact O-N 3.18Å |
| 1143 | Q | 37.5 | Very low | 32.9 | Very low | 96 Ų | 96 | 106.9 Ų | 106.9 | 45% | 0.449 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -68.5 | -48.1 | 174.7 | -170.9 | 62.2 | 56.9 | 0 | 0 | 111.1 | T1139 I1140 I1141 F1145 K1146 D1147 | T1139-Q1143 WeakPolarHBondContact O-CB 3.44Å; T1139-Q1143 PolarHBondContact O-N 3.27Å; T1139-Q1143 VanDerWaalsContact O-N 3.12Å; I1140-Q1143 PolarHBondContact O-N 3.15Å; I1141-Q1143 VanDerWaalsContact C-N 3.3Å; I1141-Q1143 PolarHBondContact O-N 3.47Å; Q1143-F1145 VanDerWaalsContact C-N 3.29Å; Q1143-F1145 PolarHBondContact O-N 2.7Å; Q1143-K1146 PolarHBondContact O-N 3.11Å; Q1143-K1146 VanDerWaalsContact O-N 3.11Å; Q1143-D1147 PolarHBondContact NE2-OD1 2.98Å; Q1143-D1147 PolarHBondContact O-N 2.7Å |
| 1144 | Q | 33.6 | Very low | 33.9 | Very low | 115 Ų | 115 | 101.8 Ų | 101.8 | 54% | 0.537 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.3 | -33.5 | 178.7 | -72.9 | 178.8 | -36.9 | 0 | 0 | 112.8 | I1140 I1141 I1148 | I1140-Q1144 HydrophobicContact CG2-CG 4.43Å; I1140-Q1144 WeakPolarHBondContact O-CG 3.37Å; I1140-Q1144 PolarHBondContact O-N 3.05Å; I1141-Q1144 PolarHBondContact O-N 2.91Å; Q1144-I1148 VanDerWaalsContact O-CD1 3.29Å; Q1144-I1148 WeakPolarHBondContact O-CD1 3.35Å; Q1144-I1148 WeakPolarHBondContact O-CG1 3.29Å; Q1144-I1148 PolarHBondContact O-N 2.73Å |
| 1145 | F | 34 | Very low | 35 | Very low | 115 Ų | 115 | 100.4 Ų | 100.4 | 50% | 0.504 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -71.5 | -35.3 | 172.8 | -84.2 | -65.9 | 0 | 0 | 0 | 113.6 | I1141 Q1143 I1148 | I1141-F1145 HydrophobicContact CG2-CD2 3.72Å; I1141-F1145 HydrophobicContact CG2-CE2 3.66Å; I1141-F1145 VanDerWaalsContact O-CD2 3.32Å; I1141-F1145 WeakPolarHBondContact O-CD2 3.44Å; I1141-F1145 PolarHBondContact O-N 2.99Å; Q1143-F1145 VanDerWaalsContact C-N 3.29Å; Q1143-F1145 PolarHBondContact O-N 2.7Å; F1145-I1148 PolarHBondContact O-N 3.39Å |
| 1146 | K | 33.8 | Very low | 36.1 | Very low | 113 Ų | 113 | 103.4 Ų | 103.4 | 49% | 0.491 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.9 | -40.6 | 172.1 | -78.5 | -152.3 | 170.1 | -154.2 | 0 | 111.7 | N1142 Q1143 I1148 D1153 | N1142-K1146 PolarHBondContact O-N 3.18Å; Q1143-K1146 PolarHBondContact O-N 3.11Å; Q1143-K1146 VanDerWaalsContact O-N 3.11Å; K1146-I1148 PolarHBondContact O-N 2.91Å; K1146-D1153 IonicContact NZ-OD1 2.83Å; K1146-D1153 PolarHBondContact NZ-OD1 3.43Å |
| 1147 | D | 33.9 | Very low | 36.9 | Very low | 92 Ų | 92 | 101.3 Ų | 101.3 | 49% | 0.492 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -72.9 | -4.3 | -177.7 | -58.3 | -18.9 | 0 | 0 | 0 | 113.9 | Q1143 | Q1143-D1147 PolarHBondContact NE2-OD1 2.98Å; Q1143-D1147 PolarHBondContact O-N 2.7Å |
| 1148 | I | 34.2 | Very low | 37.8 | Very low | 118 Ų | 118 | 100.5 Ų | 100.5 | 61% | 0.605 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -107.9 | -20.6 | -175.8 | -75.5 | 172.3 | 0 | 0 | 0 | 114.1 | Q1144 F1145 K1146 | Q1144-I1148 VanDerWaalsContact O-CD1 3.29Å; Q1144-I1148 WeakPolarHBondContact O-CD1 3.35Å; Q1144-I1148 WeakPolarHBondContact O-CG1 3.29Å; Q1144-I1148 PolarHBondContact O-N 2.73Å; F1145-I1148 PolarHBondContact O-N 3.39Å; K1146-I1148 PolarHBondContact O-N 2.91Å |
| 1149 | L | 31.2 | Very low | 38.5 | Very low | 62 Ų | 62 | 99.4 Ų | 99.4 | 33% | 0.325 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -117.4 | -16.1 | -168.9 | -73.9 | 176.1 | 0 | 0 | 0 | 116.7 | V222 I1151 | V222-L1149 HydrophobicContact CG2-CD2 4.11Å; L1149-I1151 HydrophobicContact CB-CD1 4.19Å; L1149-I1151 HydrophobicContact CB-CG1 4.22Å; L1149-I1151 HydrophobicContact CD1-CD1 4.42Å; L1149-I1151 PolarHBondContact O-N 2.91Å |
| 1150 | D | 34.1 | Very low | 39.2 | Very low | 118 Ų | 118 | 98.9 Ų | 98.9 | 63% | 0.631 | 49% | 0.489 | S | S | * | . | trans | 54.3 | 21.9 | -178.9 | -103.7 | -2.6 | 0 | 0 | 0 | 115.1 | ||||
| 1151 | I | 35.8 | Very low | 39.5 | Very low | 91 Ų | 91 | 98.2 Ų | 98.2 | 47% | 0.467 | 49% | 0.488 | S | S | . | . | trans | -85.1 | 112 | 174.1 | -60.8 | 171.4 | 0 | 0 | 0 | 109.2 | L1149 D1153 | L1149-I1151 HydrophobicContact CB-CD1 4.19Å; L1149-I1151 HydrophobicContact CB-CG1 4.22Å; L1149-I1151 HydrophobicContact CD1-CD1 4.42Å; L1149-I1151 PolarHBondContact O-N 2.91Å; I1151-D1153 PolarHBondContact O-N 2.84Å | ||
| 1152 | E | 38.9 | Very low | 40.3 | Very low | 127 Ų | 127 | 101.4 Ų | 101.4 | 59% | 0.593 | 50% | 0.495 | S | S | * | . | trans | -81.3 | 107.6 | 174.9 | -63.9 | -157.6 | 138.9 | 0 | 0 | 112 | R326 D1154 | R326-E1152 IonicContact CZ-OE1 3.72Å; R326-E1152 IonicContact NH2-OE1 3.47Å; R326-E1152 PolarHBondContact NH2-OE1 3.16Å; E1152-D1154 PolarHBondContact O-N 3.15Å; E1152-D1154 VanDerWaalsContact O-N 3.09Å | ||
| 1153 | D | 40.6 | Very low | 41 | Very low | 101 Ų | 101 | 101 Ų | 101 | 54% | 0.54 | 49% | 0.489 | S | S | . | . | S | Bend | trans | 57.4 | 19.2 | 149.7 | -65.7 | -15 | 0 | 0 | 0 | 121.4 | K1146 I1151 | K1146-D1153 IonicContact NZ-OD1 2.83Å; K1146-D1153 PolarHBondContact NZ-OD1 3.43Å; I1151-D1153 PolarHBondContact O-N 2.84Å |
| 1154 | D | 48.4 | Very low | 41.3 | Very low | 39 Ų | 39 | 99.6 Ų | 99.6 | 21% | 0.209 | 49% | 0.49 | C | S | . | . | trans | -91 | 95.5 | 162.8 | -87.7 | -13.8 | 0 | 0 | 0 | 111.2 | K126 S191 E1152 Q1156 D1157 | K126-D1154 IonicContact NZ-OD1 2.64Å; K126-D1154 PolarHBondContact NZ-OD1 3.3Å; K126-D1154 IonicContact NZ-OD2 3.88Å; K126-D1154 PolarHBondContact NZ-OD2 3.15Å; S191-D1154 WeakPolarHBondContact CB-OD2 3.38Å; E1152-D1154 PolarHBondContact O-N 3.15Å; E1152-D1154 VanDerWaalsContact O-N 3.09Å; D1154-Q1156 VanDerWaalsContact C-N 3.27Å; D1154-Q1156 PolarHBondContact O-N 3.26Å; D1154-D1157 PolarHBondContact O-N 3.04Å | ||
| 1155 | E | 48.1 | Very low | 41.5 | Very low | 168 Ų | 168 | 99.1 Ų | 99.1 | 79% | 0.785 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.6 | -26.7 | -172.3 | -167.8 | 167.9 | -129.2 | 0 | 0 | 114.6 | D1157 I1158 E1159 | E1155-D1157 PolarHBondContact O-N 2.97Å; E1155-I1158 PolarHBondContact O-N 3.24Å; E1155-E1159 PolarHBondContact O-N 3.19Å; E1155-E1159 VanDerWaalsContact O-N 3.14Å |
| 1156 | Q | 46.6 | Very low | 41.9 | Very low | 169 Ų | 169 | 97.5 Ų | 97.5 | 79% | 0.79 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -66.2 | -35.4 | 177.8 | -65.6 | -175.5 | 2.2 | 0 | 0 | 112.9 | D1154 E1159 L1160 | D1154-Q1156 VanDerWaalsContact C-N 3.27Å; D1154-Q1156 PolarHBondContact O-N 3.26Å; Q1156-E1159 PolarHBondContact O-N 2.99Å; Q1156-L1160 WeakPolarHBondContact O-CB 3.08Å; Q1156-L1160 PolarHBondContact O-N 3.13Å |
| 1157 | D | 43 | Very low | 42 | Very low | 37 Ų | 37 | 98.1 Ų | 98.1 | 20% | 0.198 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -76.9 | -30.6 | 179.8 | -77.4 | -16.4 | 0 | 0 | 0 | 111.5 | R197 D1154 E1155 V1161 | R197-D1157 IonicContact CZ-OD1 3.16Å; R197-D1157 IonicContact CZ-OD2 3.81Å; R197-D1157 IonicContact NH1-OD1 3.81Å; R197-D1157 PolarHBondContact NH1-OD1 3.36Å; R197-D1157 IonicContact NH1-OD2 2.86Å; R197-D1157 IonicContact NH2-OD1 2.77Å; R197-D1157 PolarHBondContact NH2-OD1 3.15Å; R197-D1157 IonicContact NH2-OD2 2.72Å; R197-D1157 PolarHBondContact NH2-OD2 3.14Å; D1154-D1157 PolarHBondContact O-N 3.04Å; E1155-D1157 PolarHBondContact O-N 2.97Å; D1157-V1161 WeakPolarHBondContact O-CB 3.46Å; D1157-V1161 VanDerWaalsContact O-CG2 3.27Å; D1157-V1161 WeakPolarHBondContact O-CG2 3.35Å; D1157-V1161 PolarHBondContact O-N 3Å |
| 1158 | I | 48.7 | Very low | 42.3 | Very low | 86 Ų | 86 | 97.9 Ų | 97.9 | 44% | 0.441 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.7 | -47.3 | 170.8 | -61.2 | 176 | 0 | 0 | 0 | 110.3 | E1155 V1161 R1162 | E1155-I1158 PolarHBondContact O-N 3.24Å; I1158-V1161 PolarHBondContact O-N 3.27Å; I1158-R1162 WeakPolarHBondContact O-CB 3.46Å; I1158-R1162 PolarHBondContact O-N 3.41Å |
| 1159 | E | 46.7 | Very low | 42.5 | Very low | 67 Ų | 67 | 96.9 Ų | 96.9 | 31% | 0.313 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -70.7 | -33.4 | -179.9 | -174.8 | 55.4 | -145.4 | 0 | 0 | 112.3 | E1155 Q1156 R1162 Q1163 | E1155-E1159 PolarHBondContact O-N 3.19Å; E1155-E1159 VanDerWaalsContact O-N 3.14Å; Q1156-E1159 PolarHBondContact O-N 2.99Å; E1159-R1162 WeakPolarHBondContact O-CB 3.4Å; E1159-R1162 PolarHBondContact O-N 3.27Å; E1159-R1162 WeakPolarHBondContact OE2-CD 3.47Å; E1159-R1162 IonicContact OE2-CZ 2.85Å; E1159-R1162 IonicContact OE2-NE 3.73Å; E1159-R1162 IonicContact OE2-NH1 3.03Å; E1159-R1162 PolarHBondContact OE2-NH1 3.34Å; E1159-Q1163 WeakPolarHBondContact O-CB 3.47Å; E1159-Q1163 WeakPolarHBondContact O-CG 3.11Å; E1159-Q1163 PolarHBondContact O-N 3.48Å; E1159-Q1163 WeakPolarHBondContact OE1-CG 3.34Å; E1159-Q1163 PolarHBondContact OE1-NE2 2.92Å |
| 1160 | L | 48.6 | Very low | 42.5 | Very low | 86 Ų | 86 | 99.8 Ų | 99.8 | 45% | 0.45 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.2 | -39 | 173.6 | -169.6 | 68.5 | 0 | 0 | 0 | 112.4 | Q1156 S1164 | Q1156-L1160 WeakPolarHBondContact O-CB 3.08Å; Q1156-L1160 PolarHBondContact O-N 3.13Å; L1160-S1164 WeakPolarHBondContact O-CB 3.44Å; L1160-S1164 PolarHBondContact O-N 3.45Å; L1160-S1164 PolarHBondContact O-OG 3Å |
| 1161 | V | 42 | Very low | 42.6 | Very low | 66 Ų | 66 | 99 Ų | 99 | 40% | 0.4 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.7 | -41.7 | 171.4 | 168.5 | 0 | 0 | 0 | 0 | 110.7 | D1157 I1158 S1164 M1165 | D1157-V1161 WeakPolarHBondContact O-CB 3.46Å; D1157-V1161 VanDerWaalsContact O-CG2 3.27Å; D1157-V1161 WeakPolarHBondContact O-CG2 3.35Å; D1157-V1161 PolarHBondContact O-N 3Å; I1158-V1161 PolarHBondContact O-N 3.27Å; V1161-S1164 PolarHBondContact O-N 2.87Å; V1161-M1165 HydrophobicContact CG1-CE 4.45Å; V1161-M1165 HydrophobicContact CG1-SD 4.44Å; V1161-M1165 WeakPolarHBondContact O-CB 3.42Å; V1161-M1165 PolarHBondContact O-N 3.26Å |
| 1162 | R | 50.5 | Low | 42.3 | Very low | 150 Ų | 150 | 98.6 Ų | 98.6 | 57% | 0.566 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.8 | -45.7 | 175.7 | -172.7 | -162 | -168.4 | 167.5 | 1.6 | 112.2 | I1158 E1159 M1165 L1166 | I1158-R1162 WeakPolarHBondContact O-CB 3.46Å; I1158-R1162 PolarHBondContact O-N 3.41Å; E1159-R1162 WeakPolarHBondContact O-CB 3.4Å; E1159-R1162 PolarHBondContact O-N 3.27Å; E1159-R1162 WeakPolarHBondContact OE2-CD 3.47Å; E1159-R1162 IonicContact OE2-CZ 2.85Å; E1159-R1162 IonicContact OE2-NE 3.73Å; E1159-R1162 IonicContact OE2-NH1 3.03Å; E1159-R1162 PolarHBondContact OE2-NH1 3.34Å; R1162-M1165 PolarHBondContact O-N 2.92Å; R1162-L1166 HydrophobicContact CG-CD1 4.19Å; R1162-L1166 WeakPolarHBondContact O-CB 3.25Å; R1162-L1166 WeakPolarHBondContact O-CG 3.27Å; R1162-L1166 PolarHBondContact O-N 3.42Å |
| 1163 | Q | 51.2 | Low | 41.7 | Very low | 104 Ų | 104 | 99 Ų | 99 | 49% | 0.486 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.8 | -40.8 | 177 | -72.7 | 174.8 | 20.9 | 0 | 0 | 111.4 | E1159 M1165 L1166 Q1167 | E1159-Q1163 WeakPolarHBondContact O-CB 3.47Å; E1159-Q1163 WeakPolarHBondContact O-CG 3.11Å; E1159-Q1163 PolarHBondContact O-N 3.48Å; E1159-Q1163 WeakPolarHBondContact OE1-CG 3.34Å; E1159-Q1163 PolarHBondContact OE1-NE2 2.92Å; Q1163-M1165 PolarHBondContact O-N 2.99Å; Q1163-L1166 PolarHBondContact O-N 3.14Å; Q1163-Q1167 WeakPolarHBondContact O-CB 3.28Å; Q1163-Q1167 PolarHBondContact O-N 3.21Å |
| 1164 | S | 42.9 | Very low | 41 | Very low | 68 Ų | 68 | 99.1 Ų | 99.1 | 48% | 0.476 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.8 | -43.5 | 174.5 | -57.5 | 0 | 0 | 0 | 0 | 111.9 | L1160 V1161 Q1167 V1168 | L1160-S1164 WeakPolarHBondContact O-CB 3.44Å; L1160-S1164 PolarHBondContact O-N 3.45Å; L1160-S1164 PolarHBondContact O-OG 3Å; V1161-S1164 PolarHBondContact O-N 2.87Å; S1164-Q1167 PolarHBondContact O-N 3.5Å; S1164-V1168 WeakPolarHBondContact O-CG2 3.39Å; S1164-V1168 PolarHBondContact O-N 3.27Å |
| 1165 | M | 39 | Very low | 40 | Very low | 104 Ų | 104 | 103.6 Ų | 103.6 | 51% | 0.512 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68.5 | -38.8 | 175.4 | -78 | -170.3 | 172.2 | 0 | 0 | 112.8 | V1161 R1162 Q1163 Q1167 V1168 I1169 | V1161-M1165 HydrophobicContact CG1-CE 4.45Å; V1161-M1165 HydrophobicContact CG1-SD 4.44Å; V1161-M1165 WeakPolarHBondContact O-CB 3.42Å; V1161-M1165 PolarHBondContact O-N 3.26Å; R1162-M1165 PolarHBondContact O-N 2.92Å; Q1163-M1165 PolarHBondContact O-N 2.99Å; M1165-Q1167 VanDerWaalsContact C-N 3.31Å; M1165-Q1167 PolarHBondContact O-N 3.11Å; M1165-V1168 PolarHBondContact O-N 3.21Å; M1165-I1169 WeakPolarHBondContact O-CB 3.36Å; M1165-I1169 WeakPolarHBondContact O-CD1 3.49Å; M1165-I1169 VanDerWaalsContact O-CG1 3.22Å; M1165-I1169 WeakPolarHBondContact O-CG1 3.36Å; M1165-I1169 PolarHBondContact O-N 3.24Å |
| 1166 | L | 42.5 | Very low | 39 | Very low | 81 Ų | 81 | 103.6 Ų | 103.6 | 42% | 0.424 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.6 | -42 | 172.2 | -79.2 | 167.1 | 0 | 0 | 0 | 111 | R1162 Q1163 V1168 I1169 L1170 | R1162-L1166 HydrophobicContact CG-CD1 4.19Å; R1162-L1166 WeakPolarHBondContact O-CB 3.25Å; R1162-L1166 WeakPolarHBondContact O-CG 3.27Å; R1162-L1166 PolarHBondContact O-N 3.42Å; Q1163-L1166 PolarHBondContact O-N 3.14Å; L1166-V1168 PolarHBondContact O-N 3.48Å; L1166-I1169 PolarHBondContact O-N 3.38Å; L1166-L1170 WeakPolarHBondContact O-CB 3.49Å; L1166-L1170 VanDerWaalsContact O-CG 3.23Å; L1166-L1170 WeakPolarHBondContact O-CG 3.46Å; L1166-L1170 PolarHBondContact O-N 2.88Å |
| 1167 | Q | 35.7 | Very low | 38 | Very low | 126 Ų | 126 | 100.6 Ų | 100.6 | 59% | 0.589 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.2 | -38.3 | 176.8 | -148 | 70.7 | -1.9 | 0 | 0 | 112.1 | Q1163 S1164 M1165 T1171 | Q1163-Q1167 WeakPolarHBondContact O-CB 3.28Å; Q1163-Q1167 PolarHBondContact O-N 3.21Å; S1164-Q1167 PolarHBondContact O-N 3.5Å; M1165-Q1167 VanDerWaalsContact C-N 3.31Å; M1165-Q1167 PolarHBondContact O-N 3.11Å; Q1167-T1171 WeakPolarHBondContact O-CB 3.33Å; Q1167-T1171 WeakPolarHBondContact O-CG2 3.27Å; Q1167-T1171 PolarHBondContact O-N 2.89Å; Q1167-T1171 PolarHBondContact O-OG1 3.35Å |
| 1168 | V | 39.7 | Very low | 37.3 | Very low | 87 Ų | 87 | 105.8 Ų | 105.8 | 53% | 0.527 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -67 | -42.5 | 173.3 | 170.1 | 0 | 0 | 0 | 0 | 111.6 | S1164 M1165 L1166 T1171 S1172 | S1164-V1168 WeakPolarHBondContact O-CG2 3.39Å; S1164-V1168 PolarHBondContact O-N 3.27Å; M1165-V1168 PolarHBondContact O-N 3.21Å; L1166-V1168 PolarHBondContact O-N 3.48Å; V1168-T1171 WeakPolarHBondContact CA-OG1 3.28Å; V1168-T1171 PolarHBondContact O-N 2.91Å; V1168-T1171 PolarHBondContact O-OG1 3.24Å; V1168-S1172 VanDerWaalsContact O-CB 3.24Å; V1168-S1172 WeakPolarHBondContact O-CB 3.22Å; V1168-S1172 PolarHBondContact O-N 2.98Å; V1168-S1172 PolarHBondContact O-OG 3.25Å |
| 1169 | I | 38.1 | Very low | 36.1 | Very low | 97 Ų | 97 | 108.1 Ų | 108.1 | 50% | 0.497 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.2 | -41.2 | 177.9 | -70.6 | 163.7 | 0 | 0 | 0 | 111 | M1165 L1166 S1172 | M1165-I1169 WeakPolarHBondContact O-CB 3.36Å; M1165-I1169 WeakPolarHBondContact O-CD1 3.49Å; M1165-I1169 VanDerWaalsContact O-CG1 3.22Å; M1165-I1169 WeakPolarHBondContact O-CG1 3.36Å; M1165-I1169 PolarHBondContact O-N 3.24Å; L1166-I1169 PolarHBondContact O-N 3.38Å; I1169-S1172 PolarHBondContact O-N 2.78Å |
| 1170 | L | 31.9 | Very low | 35.1 | Very low | 123 Ų | 123 | 110.9 Ų | 110.9 | 64% | 0.644 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -70.7 | -27.7 | 177.1 | -71 | 168.4 | 0 | 0 | 0 | 113.2 | L1166 | L1166-L1170 WeakPolarHBondContact O-CB 3.49Å; L1166-L1170 VanDerWaalsContact O-CG 3.23Å; L1166-L1170 WeakPolarHBondContact O-CG 3.46Å; L1166-L1170 PolarHBondContact O-N 2.88Å |
| 1171 | T | 35.2 | Very low | 34 | Very low | 101 Ų | 101 | 112.6 Ų | 112.6 | 62% | 0.62 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -91.2 | -8.6 | 175.6 | 51.4 | 0 | 0 | 0 | 0 | 114.2 | Q1167 V1168 | Q1167-T1171 WeakPolarHBondContact O-CB 3.33Å; Q1167-T1171 WeakPolarHBondContact O-CG2 3.27Å; Q1167-T1171 PolarHBondContact O-N 2.89Å; Q1167-T1171 PolarHBondContact O-OG1 3.35Å; V1168-T1171 WeakPolarHBondContact CA-OG1 3.28Å; V1168-T1171 PolarHBondContact O-N 2.91Å; V1168-T1171 PolarHBondContact O-OG1 3.24Å |
| 1172 | S | 30.1 | Very low | 33.3 | Very low | 84 Ų | 84 | 116.4 Ų | 116.4 | 59% | 0.587 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -99 | 0.2 | 178.5 | -56.8 | 0 | 0 | 0 | 0 | 114.4 | V1168 I1169 | V1168-S1172 VanDerWaalsContact O-CB 3.24Å; V1168-S1172 WeakPolarHBondContact O-CB 3.22Å; V1168-S1172 PolarHBondContact O-N 2.98Å; V1168-S1172 PolarHBondContact O-OG 3.25Å; I1169-S1172 PolarHBondContact O-N 2.78Å |
| 1173 | N | 26.7 | Very low | 32 | Very low | 136 Ų | 136 | 114 Ų | 114 | 73% | 0.727 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -122.3 | 47.6 | -172.5 | -95 | -18.5 | 0 | 0 | 0 | 113.6 | ||
| 1174 | T | 26.1 | Very low | 30.7 | Very low | 103 Ų | 103 | 113.2 Ų | 113.2 | 63% | 0.632 | 65% | 0.645 | S | S | * | * | trans | -136.3 | 131.2 | 162.2 | 53.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1175 | N | 25.9 | Very low | 30 | Very low | 133 Ų | 133 | 117.1 Ų | 117.1 | 71% | 0.711 | 66% | 0.66 | S | S | * | * | trans | 72.6 | 131.8 | 175.8 | -52.5 | -18.2 | 0 | 0 | 0 | 115.1 | ||||
| 1176 | H | 27.9 | Very low | 29.5 | Very low | 167 Ų | 167 | 117.6 Ų | 117.6 | 77% | 0.773 | 67% | 0.669 | S | S | * | * | cis | -152.2 | 151.3 | -7.4 | -88.4 | -53.5 | 0 | 0 | 0 | 110.3 | ||||
| 1177 | S | 26.1 | Very low | 28.7 | Very low | 106 Ų | 106 | 119.6 Ų | 119.6 | 74% | 0.741 | 68% | 0.68 | S | S | * | * | trans | 178.6 | 141.8 | 145.8 | 24.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1178 | N | 27.4 | Very low | 28.3 | Very low | 146 Ų | 146 | 119.5 Ų | 119.5 | 78% | 0.781 | 68% | 0.684 | S | S | * | * | cis | -146.4 | 169.9 | -6.4 | -96.9 | -8.1 | 0 | 0 | 0 | 109.7 | ||||
| 1179 | D | 24.9 | Very low | 27.5 | Very low | 136 Ų | 136 | 122 Ų | 122 | 73% | 0.727 | 69% | 0.694 | S | S | * | * | trans | -54.4 | 169.6 | 165.8 | -43.9 | -94.4 | 0 | 0 | 0 | 111.8 | ||||
| 1180 | T | 25 | Very low | 27.1 | Very low | 124 Ų | 124 | 123.4 Ų | 123.4 | 76% | 0.761 | 71% | 0.711 | S | S | * | * | cis | -173.7 | 158.7 | 47.9 | -10.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1181 | V | 25 | Very low | 26.9 | Very low | 122 Ų | 122 | 121.6 Ų | 121.6 | 74% | 0.739 | 71% | 0.709 | S | S | * | * | trans | 82.9 | 140.4 | 139.9 | 154.2 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1182 | L | 27.2 | Very low | 26.8 | Very low | 147 Ų | 147 | 123.6 Ų | 123.6 | 77% | 0.77 | 72% | 0.716 | S | S | * | * | trans | 65.8 | 110.9 | -176.9 | -50.5 | -172.6 | 0 | 0 | 0 | 116.2 | ||||
| 1183 | S | 22.8 | Very low | 26.7 | Very low | 99 Ų | 99 | 126.7 Ų | 126.7 | 69% | 0.692 | 73% | 0.725 | S | S | * | * | cis | 92.4 | 169.6 | 24.6 | 90.7 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1184 | S | 25.6 | Very low | 26.7 | Very low | 87 Ų | 87 | 125.5 Ų | 125.5 | 61% | 0.608 | 73% | 0.728 | S | S | * | * | trans | 71.9 | 111.5 | 178.4 | 28.3 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1185 | D | 27.9 | Very low | 26.9 | Very low | 150 Ų | 150 | 125.7 Ų | 125.7 | 80% | 0.802 | 73% | 0.729 | S | S | * | * | 84.8 | 141.9 | 120.3 | -60.8 | 2.8 | 0 | 0 | 0 | 121.3 | |||||
| 1186 | V | 28.3 | Very low | 27.1 | Very low | 114 Ų | 114 | 126.6 Ų | 126.6 | 69% | 0.691 | 73% | 0.732 | S | S | * | * | cis | -161.6 | 148.9 | -28.5 | 98.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1187 | D | 25.7 | Very low | 27 | Very low | 123 Ų | 123 | 123 Ų | 123 | 66% | 0.658 | 73% | 0.726 | S | S | * | * | trans | 38.8 | 123.2 | 153.5 | -60.9 | -1.4 | 0 | 0 | 0 | 124 | ||||
| 1188 | N | 26.5 | Very low | 27.1 | Very low | 125 Ų | 125 | 125.9 Ų | 125.9 | 67% | 0.668 | 73% | 0.728 | S | S | * | * | 86.8 | 123.6 | 121.5 | -63.6 | -4.7 | 0 | 0 | 0 | 123.7 | |||||
| 1189 | D | 24.2 | Very low | 27.1 | Very low | 140 Ų | 140 | 124.2 Ų | 124.2 | 75% | 0.749 | 73% | 0.726 | S | S | * | * | 62.4 | 108.3 | 124.8 | -56.7 | -19.3 | 0 | 0 | 0 | 122.1 | |||||
| 1190 | C | 27.9 | Very low | 27.3 | Very low | 126 Ų | 126 | 123.5 Ų | 123.5 | 85% | 0.851 | 72% | 0.722 | S | S | * | * | -154.4 | 144.2 | 129.4 | -95.5 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 1191 | S | 29 | Very low | 27.6 | Very low | 85 Ų | 85 | 122.8 Ų | 122.8 | 59% | 0.594 | 71% | 0.714 | S | S | * | * | cis | -175.3 | 171.9 | -15.7 | 46.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1192 | N | 32 | Very low | 27.8 | Very low | 143 Ų | 143 | 122.7 Ų | 122.7 | 77% | 0.765 | 71% | 0.705 | S | S | * | * | trans | 77.8 | 101.7 | 174.2 | -45.6 | -46.1 | 0 | 0 | 0 | 113.9 | ||||
| 1193 | N | 28.2 | Very low | 27.9 | Very low | 148 Ų | 148 | 126.5 Ų | 126.5 | 79% | 0.791 | 71% | 0.709 | S | S | * | * | cis | 69.3 | 128.6 | 43.8 | -68.8 | -34.2 | 0 | 0 | 0 | 116.7 | ||||
| 1194 | S | 26.6 | Very low | 28.2 | Very low | 111 Ų | 111 | 126.3 Ų | 126.3 | 78% | 0.776 | 71% | 0.708 | S | S | * | * | trans | 62.1 | 149.2 | 154.8 | 68.8 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1195 | T | 30.7 | Very low | 28.4 | Very low | 108 Ų | 108 | 127.9 Ų | 127.9 | 66% | 0.663 | 71% | 0.714 | S | S | * | * | cis | -146.1 | 139.8 | 28.3 | 50.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1196 | I | 29.9 | Very low | 28.5 | Very low | 152 Ų | 152 | 130 Ų | 130 | 78% | 0.779 | 72% | 0.717 | S | S | * | * | 61.3 | 132 | 122.3 | -60 | 172.1 | 0 | 0 | 0 | 118.4 | |||||
| 1197 | S | 26.4 | Very low | 28.3 | Very low | 90 Ų | 90 | 128.8 Ų | 128.8 | 63% | 0.629 | 71% | 0.713 | S | S | * | * | cis | -170.9 | -172.3 | -7.5 | 52.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 1198 | E | 28.6 | Very low | 28.3 | Very low | 168 Ų | 168 | 128.5 Ų | 128.5 | 79% | 0.785 | 72% | 0.715 | S | S | * | * | trans | 90.1 | 111.8 | 159.1 | -69.9 | 178.3 | -170.4 | 0 | 0 | 119.6 | ||||
| 1199 | C | 27.1 | Very low | 28.1 | Very low | 110 Ų | 110 | 129.5 Ų | 129.5 | 74% | 0.743 | 72% | 0.72 | S | S | * | * | trans | 65.7 | 136.3 | 132.3 | -65.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1200 | D | 29.6 | Very low | 28.3 | Very low | 122 Ų | 122 | 130.9 Ų | 130.9 | 65% | 0.652 | 72% | 0.72 | S | S | * | * | cis | -159.7 | 171.3 | 2.1 | -136.5 | 2.8 | 0 | 0 | 0 | 113.9 | ||||
| 1201 | N | 29.9 | Very low | 28.2 | Very low | 109 Ų | 109 | 130.8 Ų | 130.8 | 58% | 0.583 | 71% | 0.711 | S | S | * | * | trans | 17.6 | 146.3 | 140.3 | -66.7 | -39.2 | 0 | 0 | 0 | 120.7 | ||||
| 1202 | Q | 29.7 | Very low | 28.2 | Very low | 119 Ų | 119 | 133 Ų | 133 | 56% | 0.556 | 72% | 0.716 | S | S | * | * | cis | -178.3 | 150.1 | -3.7 | -116.6 | 173.6 | 55.7 | 0 | 0 | 108.8 | ||||
| 1203 | R | 28.9 | Very low | 28 | Very low | 227 Ų | 227 | 134.2 Ų | 134.2 | 86% | 0.857 | 72% | 0.717 | S | S | * | * | trans | 63.1 | 155.9 | 153.7 | -67.1 | 166.5 | 163.8 | 150.2 | -13.6 | 116.4 | ||||
| 1204 | S | 29.7 | Very low | 27.9 | Very low | 96 Ų | 96 | 131.5 Ų | 131.5 | 67% | 0.671 | 71% | 0.71 | S | S | * | * | cis | -144.3 | 148 | 4.7 | 49.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1205 | T | 30.3 | Very low | 27.8 | Very low | 120 Ų | 120 | 134 Ų | 134 | 74% | 0.736 | 71% | 0.711 | S | S | * | * | trans | 54.7 | 119 | 150.2 | 52.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 1206 | K | 29.3 | Very low | 27.6 | Very low | 195 Ų | 195 | 135 Ų | 135 | 85% | 0.848 | 71% | 0.711 | S | S | * | * | 51.2 | 141.4 | 70.4 | -71.4 | -168.1 | 174.5 | -173 | 0 | 113.5 | |||||
| 1207 | S | 23.6 | Very low | 27.4 | Very low | 88 Ų | 88 | 135.1 Ų | 135.1 | 62% | 0.615 | 71% | 0.708 | S | S | * | * | cis | 162.6 | 159.9 | -21.1 | 52.5 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 1208 | T | 25.4 | Very low | 27.5 | Very low | 116 Ų | 116 | 138.2 Ų | 138.2 | 71% | 0.712 | 71% | 0.713 | S | S | * | * | trans | 63.1 | 114.8 | 154.9 | 45.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 1209 | L | 24.1 | Very low | 27.5 | Very low | 146 Ų | 146 | 135.6 Ų | 135.6 | 76% | 0.764 | 70% | 0.704 | S | S | * | * | 90.6 | 150.7 | 129.7 | -68.2 | 168.3 | 0 | 0 | 0 | 121.9 | |||||
| 1210 | F | 28.2 | Very low | 27.4 | Very low | 169 Ų | 169 | 135 Ų | 135 | 74% | 0.741 | 70% | 0.701 | S | S | * | * | trans | 72.6 | 123.7 | 165.4 | -72.5 | -71.2 | 0 | 0 | 0 | 119.7 | ||||
| 1211 | N | 25.4 | Very low | 27.4 | Very low | 125 Ų | 125 | 136.8 Ų | 136.8 | 67% | 0.668 | 71% | 0.709 | S | S | * | * | 44.8 | 147.4 | 123.8 | -71.9 | 46.6 | 0 | 0 | 0 | 120.9 | |||||
| 1212 | D | 27.7 | Very low | 27.3 | Very low | 131 Ų | 131 | 135.4 Ų | 135.4 | 70% | 0.701 | 71% | 0.708 | S | S | * | * | cis | -152.4 | -179.3 | 18.4 | -124.5 | -37.7 | 0 | 0 | 0 | 114.9 | ||||
| 1213 | H | 29.2 | Very low | 27.4 | Very low | 168 Ų | 168 | 138.2 Ų | 138.2 | 78% | 0.778 | 72% | 0.719 | S | S | * | * | trans | -38.9 | 121.6 | 177.6 | -87.2 | -98 | 0 | 0 | 0 | 120.7 | ||||
| 1214 | S | 25.8 | Very low | 27.3 | Very low | 92 Ų | 92 | 133.7 Ų | 133.7 | 64% | 0.643 | 71% | 0.711 | S | S | * | * | 59.4 | 137 | 120.1 | 73.7 | 0 | 0 | 0 | 0 | 125.1 | |||||
| 1215 | M | 24.7 | Very low | 27.3 | Very low | 162 Ų | 162 | 134.7 Ų | 134.7 | 80% | 0.798 | 71% | 0.709 | S | S | * | * | trans | 85.8 | 134.6 | 143.2 | -73.7 | -75 | 175 | 0 | 0 | 121.9 | ||||
| 1216 | I | 26.7 | Very low | 27.2 | Very low | 129 Ų | 129 | 136.5 Ų | 136.5 | 66% | 0.662 | 71% | 0.709 | S | S | * | * | trans | 69.3 | 129.8 | 142.3 | -71.9 | 168.9 | 0 | 0 | 0 | 117.2 | ||||
| 1217 | E | 25.6 | Very low | 27.4 | Very low | 155 Ų | 155 | 133.5 Ų | 133.5 | 72% | 0.724 | 70% | 0.701 | S | S | * | * | cis | -166.1 | 175.6 | -4.3 | -131.9 | 160.1 | -152.2 | 0 | 0 | 113.8 | ||||
| 1218 | E | 27.6 | Very low | 27.9 | Very low | 155 Ų | 155 | 137.6 Ų | 137.6 | 72% | 0.724 | 71% | 0.71 | S | S | * | * | trans | 66.6 | 131.9 | 147.6 | -72.2 | -138.8 | 141.3 | 0 | 0 | 126.2 | ||||
| 1219 | N | 27.8 | Very low | 28 | Very low | 113 Ų | 113 | 136.4 Ų | 136.4 | 60% | 0.604 | 71% | 0.707 | S | S | * | * | trans | 65.3 | 89.3 | 132.9 | -70.2 | -32.3 | 0 | 0 | 0 | 124.3 | ||||
| 1220 | S | 25.6 | Very low | 28.3 | Very low | 99 Ų | 99 | 137.2 Ų | 137.2 | 69% | 0.692 | 71% | 0.706 | S | S | * | * | 72 | 140.3 | 115.6 | 79 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 1221 | I | 30.6 | Very low | 28.4 | Very low | 158 Ų | 158 | 134.6 Ų | 134.6 | 81% | 0.81 | 70% | 0.7 | S | S | * | * | 166 | 119.4 | 125.8 | -88.9 | 165.1 | 0 | 0 | 0 | 112.7 | |||||
| 1222 | S | 27.4 | Very low | 28.6 | Very low | 81 Ų | 81 | 135.7 Ų | 135.7 | 57% | 0.566 | 70% | 0.704 | S | S | * | * | trans | 68.3 | 110.5 | 138.8 | -178.5 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 1223 | K | 31 | Very low | 28.9 | Very low | 178 Ų | 178 | 134.7 Ų | 134.7 | 77% | 0.774 | 71% | 0.705 | S | S | * | * | 88.1 | 110.9 | 123.4 | -71.8 | 178.3 | -159.1 | 164.3 | 0 | 123.5 | |||||
| 1224 | N | 28 | Very low | 28.8 | Very low | 131 Ų | 131 | 137.9 Ų | 137.9 | 70% | 0.701 | 71% | 0.71 | S | S | * | * | 82.3 | 143.2 | 109.3 | -74.8 | 36.5 | 0 | 0 | 0 | 124.3 | |||||
| 1225 | N | 29.9 | Very low | 28.8 | Very low | 118 Ų | 118 | 138 Ų | 138 | 63% | 0.631 | 71% | 0.712 | S | S | * | * | trans | 73.1 | 141.2 | 142.9 | -74.4 | 41.2 | 0 | 0 | 0 | 118.4 | ||||
| 1226 | E | 28 | Very low | 28.9 | Very low | 157 Ų | 157 | 138.3 Ų | 138.3 | 73% | 0.734 | 71% | 0.708 | S | S | * | * | cis | -170.7 | -161.4 | -13.9 | -129 | -179.6 | 157.3 | 0 | 0 | 109.4 | ||||
| 1227 | I | 33.2 | Very low | 29 | Very low | 133 Ų | 133 | 141.1 Ų | 141.1 | 68% | 0.682 | 71% | 0.712 | S | S | * | * | trans | 121.5 | 112.9 | 136.8 | -60.5 | -172.6 | 0 | 0 | 0 | 116.6 | ||||
| 1228 | H | 33.3 | Very low | 29 | Very low | 174 Ų | 174 | 138.5 Ų | 138.5 | 81% | 0.806 | 71% | 0.711 | S | S | * | * | trans | 66.2 | 148.2 | 155 | -64.8 | -18.9 | 0 | 0 | 0 | 120.5 | ||||
| 1229 | S | 28.3 | Very low | 29 | Very low | 91 Ų | 91 | 136.3 Ų | 136.3 | 64% | 0.636 | 71% | 0.713 | S | S | * | * | cis | -170.1 | 153.7 | -17.8 | 51.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 1230 | E | 29.2 | Very low | 28.9 | Very low | 162 Ų | 162 | 135.7 Ų | 135.7 | 76% | 0.757 | 72% | 0.717 | S | S | * | * | trans | 74.6 | 122.1 | 141.3 | -82.7 | -176.3 | -158.3 | 0 | 0 | 124.4 | ||||
| 1231 | N | 30.6 | Very low | 28.9 | Very low | 115 Ų | 115 | 139.6 Ų | 139.6 | 62% | 0.615 | 72% | 0.724 | S | S | * | * | 103 | 111.8 | 119.7 | -79.1 | -25.7 | 0 | 0 | 0 | 124.7 | |||||
| 1232 | I | 30.4 | Very low | 28.7 | Very low | 147 Ų | 147 | 139.9 Ų | 139.9 | 75% | 0.754 | 73% | 0.726 | S | S | * | * | trans | 82.5 | 119.4 | 132.3 | -61.8 | 166.6 | 0 | 0 | 0 | 120 | ||||
| 1233 | P | 33 | Very low | 28.6 | Very low | 111 Ų | 111 | 140.4 Ų | 140.4 | 72% | 0.721 | 73% | 0.73 | S | S | * | * | trans | -115.4 | 162.9 | 169.5 | 40.3 | -31.4 | 0 | 0 | 0 | 114.2 | ||||
| 1234 | R | 27.8 | Very low | 28.3 | Very low | 234 Ų | 234 | 139.3 Ų | 139.3 | 88% | 0.883 | 73% | 0.733 | S | S | * | * | 173.8 | 124.4 | 129.8 | -100.1 | 170.7 | -176.8 | -172.7 | 2.2 | 117.4 | |||||
| 1235 | S | 26.8 | Very low | 28.1 | Very low | 96 Ų | 96 | 138.9 Ų | 138.9 | 67% | 0.671 | 74% | 0.739 | S | S | * | * | 59.6 | 125.8 | 128.4 | 76.2 | 0 | 0 | 0 | 0 | 124.9 | |||||
| 1236 | K | 26.9 | Very low | 28 | Very low | 167 Ų | 167 | 141.1 Ų | 141.1 | 73% | 0.726 | 75% | 0.746 | S | S | * | * | 92.2 | 136.6 | 119.1 | -88.9 | 178.5 | 166.6 | -170.6 | 0 | 122.9 | |||||
| 1237 | Y | 27.9 | Very low | 28 | Very low | 189 Ų | 189 | 139.3 Ų | 139.3 | 74% | 0.741 | 74% | 0.741 | S | S | * | * | trans | 86.3 | 108.3 | 146.5 | -79.2 | -57.4 | 0 | 0 | 0 | 123 | ||||
| 1238 | S | 25.1 | Very low | 27.7 | Very low | 100 Ų | 100 | 139.5 Ų | 139.5 | 70% | 0.699 | 74% | 0.743 | S | S | * | * | 79.4 | 126.3 | 124.4 | 62.6 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 1239 | S | 27.5 | Very low | 27.5 | Very low | 109 Ų | 109 | 137.2 Ų | 137.2 | 76% | 0.762 | 74% | 0.736 | S | S | * | * | trans | 84.4 | 92.6 | 135.9 | -60.5 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1240 | S | 25.9 | Very low | 27.7 | Very low | 99 Ų | 99 | 139.4 Ų | 139.4 | 69% | 0.692 | 74% | 0.741 | S | S | * | * | 57 | 124.4 | 119.6 | 62.6 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 1241 | Q | 25.4 | Very low | 27.6 | Very low | 182 Ų | 182 | 136.8 Ų | 136.8 | 85% | 0.85 | 74% | 0.735 | S | S | * | * | trans | 67.2 | 107 | 148.1 | -65.7 | 178.8 | -25.8 | 0 | 0 | 118.9 | ||||
| 1242 | L | 26.3 | Very low | 27.4 | Very low | 163 Ų | 163 | 142.4 Ų | 142.4 | 85% | 0.853 | 75% | 0.748 | S | S | * | * | -172 | 154.4 | 94.1 | -100.9 | 166.3 | 0 | 0 | 0 | 113.8 | |||||
| 1243 | S | 27 | Very low | 27.4 | Very low | 92 Ų | 92 | 145.1 Ų | 145.1 | 64% | 0.643 | 75% | 0.754 | S | S | * | * | trans | 43 | 96.9 | 158 | 61.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1244 | D | 24.5 | Very low | 27.1 | Very low | 156 Ų | 156 | 150.9 Ų | 150.9 | 83% | 0.834 | 76% | 0.762 | S | S | * | * | 20.7 | 122.9 | 116.5 | -44.5 | -39.9 | 0 | 0 | 0 | 118.8 | |||||
| 1245 | C | 22.5 | Very low | 26.9 | Very low | 122 Ų | 122 | 144.4 Ų | 144.4 | 82% | 0.824 | 75% | 0.752 | S | S | * | * | -172.6 | 163.9 | 89.7 | -121.8 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1246 | E | 27.8 | Very low | 26.8 | Very low | 165 Ų | 165 | 147.8 Ų | 147.8 | 77% | 0.771 | 76% | 0.762 | S | S | * | * | trans | 68.8 | 134.3 | 157.9 | -75.5 | -164.4 | -166.6 | 0 | 0 | 123.7 | ||||
| 1247 | N | 29.2 | Very low | 26.8 | Very low | 118 Ų | 118 | 146 Ų | 146 | 63% | 0.631 | 77% | 0.77 | S | S | * | * | trans | 74.2 | 110.5 | 138.6 | -80 | -49.1 | 0 | 0 | 0 | 123.3 | ||||
| 1248 | L | 27.2 | Very low | 26.7 | Very low | 138 Ų | 138 | 143.8 Ų | 143.8 | 72% | 0.723 | 77% | 0.77 | S | S | * | * | trans | 79.3 | 129.3 | 131.1 | -71.9 | 164.9 | 0 | 0 | 0 | 121.8 | ||||
| 1249 | N | 29.1 | Very low | 26.7 | Very low | 125 Ų | 125 | 145.7 Ų | 145.7 | 67% | 0.668 | 77% | 0.772 | S | S | * | * | trans | 79.6 | 109.7 | 144.2 | -66.1 | -21.1 | 0 | 0 | 0 | 121.2 | ||||
| 1250 | N | 30.8 | Very low | 26.8 | Very low | 138 Ų | 138 | 147.5 Ų | 147.5 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | 111.8 | 100.3 | 124.8 | -71.8 | -22.9 | 0 | 0 | 0 | 121.7 | |||||
| 1251 | V | 29 | Very low | 26.9 | Very low | 106 Ų | 106 | 148.5 Ų | 148.5 | 64% | 0.642 | 78% | 0.777 | S | S | * | * | 88.6 | 125.1 | 119 | 171.7 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 1252 | R | 26.2 | Very low | 27 | Very low | 234 Ų | 234 | 147 Ų | 147 | 88% | 0.883 | 77% | 0.773 | S | S | * | * | trans | 72.3 | 141.6 | 165.6 | -74.5 | 159.3 | -171.9 | 172.2 | 0.2 | 115.1 | ||||
| 1253 | K | 29 | Very low | 27 | Very low | 203 Ų | 203 | 146.5 Ų | 146.5 | 88% | 0.883 | 77% | 0.766 | S | S | * | * | cis | -135.6 | -174.7 | 22.4 | -118.3 | 159.5 | -172.5 | 177.8 | 0 | 113 | ||||
| 1254 | R | 26.7 | Very low | 26.9 | Very low | 233 Ų | 233 | 152.1 Ų | 152.1 | 88% | 0.879 | 77% | 0.773 | S | S | * | * | trans | -64.1 | 163.4 | 177.1 | -49.1 | 169.2 | 176.4 | 151.1 | -4.7 | 111.1 | ||||
| 1255 | S | 25.3 | Very low | 27 | Very low | 98 Ų | 98 | 152.1 Ų | 152.1 | 69% | 0.685 | 77% | 0.772 | S | S | * | * | cis | -157.5 | 158.3 | 25.5 | -49.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1256 | L | 23.4 | Very low | 27.2 | Very low | 167 Ų | 167 | 153.3 Ų | 153.3 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | trans | 45.5 | 100.5 | 148.1 | -69.2 | 164.2 | 0 | 0 | 0 | 120 | ||||
| 1257 | S | 26.6 | Very low | 27.1 | Very low | 128 Ų | 128 | 154.1 Ų | 154.1 | 90% | 0.895 | 77% | 0.77 | S | S | * | * | trans | -164.7 | 162.9 | 133.6 | -90.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1258 | I | 26.9 | Very low | 27 | Very low | 144 Ų | 144 | 154.6 Ų | 154.6 | 74% | 0.738 | 77% | 0.772 | S | S | * | * | trans | -66.5 | 153.4 | -168.1 | -73.2 | 157.8 | 0 | 0 | 0 | 115.7 | ||||
| 1259 | N | 24.5 | Very low | 26.9 | Very low | 139 Ų | 139 | 154 Ų | 154 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | trans | 65.6 | 124.2 | 160.2 | -71.8 | -15 | 0 | 0 | 0 | 122.3 | ||||
| 1260 | L | 29.6 | Very low | 26.8 | Very low | 147 Ų | 147 | 153.9 Ų | 153.9 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | trans | 46.7 | 138 | 136.4 | -63.9 | 169.3 | 0 | 0 | 0 | 120.5 | ||||
| 1261 | P | 28.9 | Very low | 26.5 | Very low | 121 Ų | 121 | 156.8 Ų | 156.8 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | -142.7 | 163 | 100.6 | 38.7 | -26.6 | 0 | 0 | 0 | 116.4 | |||||
| 1262 | I | 26.4 | Very low | 26.5 | Very low | 149 Ų | 149 | 156.7 Ų | 156.7 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | trans | -80.7 | 149.3 | 167.3 | -63.1 | 158.7 | 0 | 0 | 0 | 109.8 | ||||
| 1263 | Q | 26.4 | Very low | 26.6 | Very low | 154 Ų | 154 | 153.4 Ų | 153.4 | 72% | 0.72 | 76% | 0.757 | S | S | * | * | trans | -154.5 | 126.5 | 144.9 | -108.2 | 170 | 84.3 | 0 | 0 | 109.8 | ||||
| 1264 | R | 24 | Very low | 26.5 | Very low | 209 Ų | 209 | 150 Ų | 150 | 79% | 0.789 | 75% | 0.745 | S | S | * | * | 63.4 | 136.6 | 98 | -64.2 | -172.7 | -174.4 | 138.2 | -3.1 | 112.5 | |||||
| 1265 | I | 28.3 | Very low | 26.5 | Very low | 157 Ų | 157 | 145 Ų | 145 | 81% | 0.805 | 74% | 0.74 | S | S | * | * | -138.7 | 141 | 58.3 | -73.5 | 154.9 | 0 | 0 | 0 | 113 | |||||
| 1266 | I | 25.5 | Very low | 26.5 | Very low | 147 Ų | 147 | 144.6 Ų | 144.6 | 75% | 0.754 | 74% | 0.737 | S | S | * | * | trans | -105.1 | 131.4 | 155.2 | -66.2 | 172.5 | 0 | 0 | 0 | 107.8 | ||||
| 1267 | K | 26.6 | Very low | 26.7 | Very low | 182 Ų | 182 | 145.9 Ų | 145.9 | 79% | 0.791 | 73% | 0.732 | S | S | * | * | trans | -168.1 | 113.4 | 151.2 | -102.4 | 163.3 | -176.8 | -175.7 | 0 | 105.7 | ||||
| 1268 | N | 25.9 | Very low | 26.7 | Very low | 127 Ų | 127 | 146.3 Ų | 146.3 | 68% | 0.679 | 72% | 0.724 | S | S | * | * | 80 | 158.2 | 62.7 | -75.9 | 15.9 | 0 | 0 | 0 | 113.4 | |||||
| 1269 | D | 26.3 | Very low | 26.6 | Very low | 125 Ų | 125 | 143 Ų | 143 | 67% | 0.668 | 71% | 0.714 | S | S | * | * | trans | 90.3 | 144.5 | 164.5 | -61 | -21.5 | 0 | 0 | 0 | 117.4 | ||||
| 1270 | Q | 25.6 | Very low | 26.6 | Very low | 124 Ų | 124 | 146.9 Ų | 146.9 | 58% | 0.579 | 72% | 0.72 | S | S | * | * | cis | -167.7 | -178 | -11.3 | -112.3 | 169.4 | 41.7 | 0 | 0 | 108 | ||||
| 1271 | R | 25.6 | Very low | 26.4 | Very low | 199 Ų | 199 | 144.9 Ų | 144.9 | 75% | 0.751 | 71% | 0.714 | S | S | * | * | cis | -157.9 | -179.5 | 6 | -142.7 | 169.1 | -155.9 | 171 | 21.5 | 111.1 | ||||
| 1272 | T | 28.5 | Very low | 26.4 | Very low | 104 Ų | 104 | 142.7 Ų | 142.7 | 64% | 0.638 | 69% | 0.693 | S | S | * | * | trans | 87.8 | 140.3 | 156.2 | 72.6 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1273 | K | 28.7 | Very low | 26.3 | Very low | 164 Ų | 164 | 141.2 Ų | 141.2 | 71% | 0.713 | 68% | 0.684 | S | S | * | * | cis | -115.1 | 129 | 14.5 | -81.2 | -175 | 164.2 | -99.7 | 0 | 112.5 | ||||
| 1274 | E | 26.4 | Very low | 26.4 | Very low | 131 Ų | 131 | 141.5 Ų | 141.5 | 61% | 0.612 | 69% | 0.691 | S | S | * | * | 66.8 | 122.7 | 89.7 | -64.1 | 164.2 | -175.2 | 0 | 0 | 111.7 | |||||
| 1275 | T | 27.8 | Very low | 26.4 | Very low | 128 Ų | 128 | 135.7 Ų | 135.7 | 79% | 0.785 | 68% | 0.682 | S | S | * | * | cis | -143.4 | -174.7 | 9.7 | 65.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1276 | S | 25.3 | Very low | 26.4 | Very low | 90 Ų | 90 | 131.4 Ų | 131.4 | 63% | 0.629 | 66% | 0.663 | S | S | * | * | cis | -164.2 | 170.8 | 3.6 | -134.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1277 | Y | 26.9 | Very low | 26.2 | Very low | 194 Ų | 194 | 132.6 Ų | 132.6 | 76% | 0.761 | 66% | 0.664 | S | S | * | * | trans | 52.5 | 131.1 | 153.2 | -89.8 | -118.1 | 0 | 0 | 0 | 122.5 | ||||
| 1278 | N | 27.6 | Very low | 26.3 | Very low | 137 Ų | 137 | 135.1 Ų | 135.1 | 73% | 0.733 | 67% | 0.668 | S | S | * | * | trans | 59.2 | 159.6 | 144.3 | -71 | 11.7 | 0 | 0 | 0 | 120.3 | ||||
| 1279 | S | 24.5 | Very low | 26.2 | Very low | 76 Ų | 76 | 135.2 Ų | 135.2 | 53% | 0.531 | 66% | 0.664 | S | S | . | * | cis | 176 | 150 | -32.3 | 57.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1280 | Y | 24.8 | Very low | 26 | Very low | 220 Ų | 220 | 134.2 Ų | 134.2 | 86% | 0.863 | 67% | 0.667 | S | S | * | * | trans | 62.8 | 177.1 | -178.6 | -65.2 | -102.5 | 0 | 0 | 0 | 113.8 | ||||
| 1281 | T | 24.8 | Very low | 26.3 | Very low | 105 Ų | 105 | 135.2 Ų | 135.2 | 64% | 0.644 | 67% | 0.672 | S | S | * | * | -169.4 | 179.1 | -51.5 | -71.8 | 0 | 0 | 0 | 0 | 104.1 | |||||
| 1282 | E | 28.3 | Very low | 26.5 | Very low | 74 Ų | 74 | 132.7 Ų | 132.7 | 35% | 0.346 | 67% | 0.668 | S | S | . | * | trans | 74.2 | 152.7 | 166.5 | -50.5 | -168.1 | 126.9 | 0 | 0 | 116 | Q1289 | E1282-Q1289 PolarHBondContact OE1-NE2 2.93Š| ||
| 1283 | M | 25.1 | Very low | 26.4 | Very low | 118 Ų | 118 | 133.2 Ų | 133.2 | 58% | 0.581 | 67% | 0.667 | S | S | * | * | -156.7 | 164.6 | -52.6 | -127.6 | -170.2 | -61 | 0 | 0 | 110.9 | S1285 V1286 | M1283-S1285 VanDerWaalsContact C-N 3.31Å; M1283-S1285 WeakPolarHBondContact CB-O 3.14Å; M1283-S1285 PolarHBondContact O-N 2.95Å; M1283-S1285 VanDerWaalsContact O-N 3.14Å; M1283-V1286 HydrophobicContact CE-CB 4.17Å; M1283-V1286 HydrophobicContact CE-CG2 4.16Å | |||
| 1284 | N | 27.1 | Very low | 26.6 | Very low | 160 Ų | 160 | 133.2 Ų | 133.2 | 86% | 0.856 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -58.9 | 92.4 | 140.7 | -169.8 | 14.4 | 0 | 0 | 0 | 108.3 | ||
| 1285 | S | 25.5 | Very low | 26.7 | Very low | 87 Ų | 87 | 132 Ų | 132 | 61% | 0.608 | 67% | 0.671 | S | S | * | * | S | Bend | trans | 83.6 | 177.8 | -172.3 | 80.1 | 0 | 0 | 0 | 0 | 118.3 | M1283 | M1283-S1285 VanDerWaalsContact C-N 3.31Å; M1283-S1285 WeakPolarHBondContact CB-O 3.14Å; M1283-S1285 PolarHBondContact O-N 2.95Å; M1283-S1285 VanDerWaalsContact O-N 3.14Å |
| 1286 | V | 27.3 | Very low | 26.8 | Very low | 67 Ų | 67 | 133.7 Ų | 133.7 | 41% | 0.406 | 67% | 0.669 | S | S | . | * | trans | 65.9 | 103.9 | 172.7 | -165.9 | 0 | 0 | 0 | 0 | 119 | M1283 Q1289 | M1283-V1286 HydrophobicContact CE-CB 4.17Å; M1283-V1286 HydrophobicContact CE-CG2 4.16Å; V1286-Q1289 HydrophobicContact CG1-CG 4.38Å | ||
| 1287 | F | 22.7 | Very low | 27.1 | Very low | 173 Ų | 173 | 135 Ų | 135 | 76% | 0.759 | 67% | 0.67 | S | S | * | * | -147.1 | 132.2 | 127.4 | -105.1 | -90.7 | 0 | 0 | 0 | 105.4 | |||||
| 1288 | R | 26.9 | Very low | 27.2 | Very low | 235 Ų | 235 | 131.7 Ų | 131.7 | 89% | 0.887 | 67% | 0.665 | S | S | * | * | cis | -117.6 | 161.6 | 11.8 | -72.6 | 175.5 | 174 | 179.8 | -0.3 | 113.4 | ||||
| 1289 | Q | 24.2 | Very low | 27.3 | Very low | 129 Ų | 129 | 130.1 Ų | 130.1 | 60% | 0.603 | 66% | 0.66 | S | S | * | * | trans | -85.7 | 167.5 | 175.7 | -57.1 | 165.3 | 1 | 0 | 0 | 112.3 | E1282 V1286 | E1282-Q1289 PolarHBondContact OE1-NE2 2.93Å; V1286-Q1289 HydrophobicContact CG1-CG 4.38Å | ||
| 1290 | S | 23.1 | Very low | 27.4 | Very low | 103 Ų | 103 | 131.8 Ų | 131.8 | 72% | 0.72 | 67% | 0.667 | S | S | * | * | trans | 66.8 | 132.2 | 160.9 | 74.3 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1291 | H | 31.9 | Very low | 27.6 | Very low | 146 Ų | 146 | 127.3 Ų | 127.3 | 68% | 0.676 | 66% | 0.658 | S | S | * | * | cis | -146.2 | 139.3 | 43.9 | -109.3 | -105.9 | 0 | 0 | 0 | 114.4 | ||||
| 1292 | Q | 28.3 | Very low | 27.7 | Very low | 145 Ų | 145 | 131.1 Ų | 131.1 | 68% | 0.678 | 67% | 0.666 | S | S | * | * | trans | 50.1 | 122.5 | 131.8 | -76.3 | 179.6 | -24.1 | 0 | 0 | 123.3 | ||||
| 1293 | N | 27.2 | Very low | 27.5 | Very low | 116 Ų | 116 | 134.5 Ų | 134.5 | 62% | 0.62 | 69% | 0.687 | S | S | * | * | 87.1 | 144.3 | 127.7 | -61.5 | -5.9 | 0 | 0 | 0 | 121.6 | |||||
| 1294 | H | 32.2 | Very low | 27.5 | Very low | 163 Ų | 163 | 134.9 Ų | 134.9 | 76% | 0.755 | 69% | 0.691 | S | S | * | * | trans | 71.6 | 137.9 | 158.2 | -55.2 | -43.2 | 0 | 0 | 0 | 117.2 | ||||
| 1295 | T | 30.4 | Very low | 27.6 | Very low | 105 Ų | 105 | 133.4 Ų | 133.4 | 64% | 0.644 | 68% | 0.683 | S | S | * | * | cis | -167.2 | 163.5 | -15 | 21.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1296 | H | 29.3 | Very low | 27.6 | Very low | 164 Ų | 164 | 136.6 Ų | 136.6 | 76% | 0.759 | 69% | 0.691 | S | S | * | * | trans | 36.6 | 126.5 | 150.6 | -65.1 | -62.8 | 0 | 0 | 0 | 119.2 | ||||
| 1297 | N | 30.7 | Very low | 27.8 | Very low | 119 Ų | 119 | 140.4 Ų | 140.4 | 64% | 0.636 | 71% | 0.71 | S | S | * | * | cis | -163.2 | -158.4 | 12.4 | -128.3 | 30.3 | 0 | 0 | 0 | 107.8 | ||||
| 1298 | D | 29.4 | Very low | 28.1 | Very low | 124 Ų | 124 | 140.1 Ų | 140.1 | 66% | 0.663 | 71% | 0.71 | S | S | * | * | cis | -158.5 | -164.1 | 7.1 | -139.2 | -41.8 | 0 | 0 | 0 | 112.1 | ||||
| 1299 | V | 29.6 | Very low | 28.2 | Very low | 104 Ų | 104 | 133.6 Ų | 133.6 | 63% | 0.63 | 70% | 0.701 | S | S | * | * | trans | 10.7 | 116.2 | 145.2 | 172.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1300 | T | 25.9 | Very low | 28.5 | Very low | 111 Ų | 111 | 134.6 Ų | 134.6 | 68% | 0.681 | 71% | 0.709 | S | S | * | * | cis | 74.7 | 154.4 | 42.1 | 83.7 | 0 | 0 | 0 | 0 | 117 | ||||
| 1301 | N | 29.5 | Very low | 28.7 | Very low | 126 Ų | 126 | 137.2 Ų | 137.2 | 67% | 0.674 | 72% | 0.715 | S | S | * | * | trans | 70.1 | 155 | 176.8 | -67 | -37.6 | 0 | 0 | 0 | 116.1 | ||||
| 1302 | K | 28 | Very low | 29.1 | Very low | 184 Ų | 184 | 134.3 Ų | 134.3 | 80% | 0.8 | 71% | 0.71 | S | S | * | * | cis | 160.8 | 163.8 | -26.6 | -105.9 | -178.3 | -160.2 | 159.1 | 0 | 105.1 | ||||
| 1303 | N | 22.4 | Very low | 29.6 | Very low | 146 Ų | 146 | 132.9 Ų | 132.9 | 78% | 0.781 | 71% | 0.713 | S | S | * | * | trans | -48.1 | 142.1 | 160.2 | -38.3 | -20.5 | 0 | 0 | 0 | 110.9 | ||||
| 1304 | N | 26.9 | Very low | 29.7 | Very low | 125 Ų | 125 | 134.6 Ų | 134.6 | 67% | 0.668 | 72% | 0.717 | S | S | * | * | -176.3 | 161.6 | 107.4 | -109.7 | 36.8 | 0 | 0 | 0 | 114.9 | |||||
| 1305 | D | 29.1 | Very low | 29.6 | Very low | 130 Ų | 130 | 133.5 Ų | 133.5 | 70% | 0.695 | 72% | 0.717 | S | S | * | * | trans | 59.2 | 93 | 145.8 | -53.6 | -23.3 | 0 | 0 | 0 | 121.1 | N1307 | D1305-N1307 PolarHBondContact O-N 3.19Š| ||
| 1306 | I | 25.2 | Very low | 29.7 | Very low | 153 Ų | 153 | 135.2 Ų | 135.2 | 79% | 0.785 | 72% | 0.721 | S | S | * | * | trans | -27.9 | 125 | 140.7 | -59.9 | 157.4 | 0 | 0 | 0 | 112.6 | ||||
| 1307 | N | 30.3 | Very low | 29.8 | Very low | 148 Ų | 148 | 133.6 Ų | 133.6 | 79% | 0.791 | 72% | 0.722 | S | S | * | * | trans | -159.4 | 109.1 | 143.6 | -106.1 | -47.5 | 0 | 0 | 0 | 113.8 | D1305 | D1305-N1307 PolarHBondContact O-N 3.19Š| ||
| 1308 | H | 30.3 | Very low | 29.7 | Very low | 167 Ų | 167 | 132.4 Ų | 132.4 | 77% | 0.773 | 72% | 0.723 | S | S | * | * | trans | 29.1 | 112 | 140.7 | -85 | -70.1 | 0 | 0 | 0 | 121.9 | ||||
| 1309 | S | 27.5 | Very low | 29.9 | Very low | 97 Ų | 97 | 132.6 Ų | 132.6 | 68% | 0.678 | 73% | 0.729 | S | S | * | * | 120.7 | 154.5 | 105.1 | -152.5 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 1310 | L | 31.1 | Very low | 30 | Very low | 151 Ų | 151 | 132.3 Ų | 132.3 | 79% | 0.791 | 73% | 0.732 | S | S | * | * | trans | 70.8 | 84.9 | 169.9 | -49.3 | -178.4 | 0 | 0 | 0 | 115.3 | ||||
| 1311 | N | 26.7 | Very low | 30.2 | Very low | 158 Ų | 158 | 132.1 Ų | 132.1 | 85% | 0.845 | 74% | 0.735 | S | S | * | * | 76.4 | 149.9 | 67.2 | -80.4 | 26 | 0 | 0 | 0 | 116.2 | |||||
| 1312 | P | 41.6 | Very low | 30.2 | Very low | 85 Ų | 85 | 131.9 Ų | 131.9 | 55% | 0.552 | 73% | 0.734 | S | S | * | * | trans | -101.4 | -166.8 | -153.8 | 43.5 | -38.7 | 0 | 0 | 0 | 114.4 | E1314 | P1312-E1314 HydrophobicContact CG-CG 4.15Š| ||
| 1313 | P | 38.8 | Very low | 30.4 | Very low | 115 Ų | 115 | 131 Ų | 131 | 75% | 0.747 | 73% | 0.732 | S | S | * | * | -121.3 | 153.3 | 93.3 | 2 | 20.4 | 0 | 0 | 0 | 112.6 | |||||
| 1314 | E | 29.8 | Very low | 30.5 | Very low | 151 Ų | 151 | 130.4 Ų | 130.4 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | cis | 69.6 | 137.3 | 47.8 | -59.4 | 169.3 | -173.4 | 0 | 0 | 112.4 | P1312 | P1312-E1314 HydrophobicContact CG-CG 4.15Š| ||
| 1315 | D | 29.1 | Very low | 30.3 | Very low | 141 Ų | 141 | 135.7 Ų | 135.7 | 75% | 0.754 | 74% | 0.739 | S | S | * | * | cis | -159.6 | -175.5 | -8.8 | -109.3 | -5.6 | 0 | 0 | 0 | 107.2 | ||||
| 1316 | I | 32.4 | Very low | 30.3 | Very low | 141 Ų | 141 | 136 Ų | 136 | 72% | 0.723 | 74% | 0.741 | S | S | * | * | -180 | 118.2 | 72.8 | -84.2 | 179.6 | 0 | 0 | 0 | 110.6 | |||||
| 1317 | T | 30.7 | Very low | 30.2 | Very low | 130 Ų | 130 | 137.6 Ų | 137.6 | 80% | 0.798 | 74% | 0.742 | S | S | * | * | trans | 60.2 | 151.3 | 150.9 | 60 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1318 | S | 30.6 | Very low | 29.9 | Very low | 94 Ų | 94 | 138.2 Ų | 138.2 | 66% | 0.657 | 75% | 0.745 | S | S | * | * | cis | -162.7 | 152.4 | -3.4 | 38.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 1319 | T | 32.2 | Very low | 29.6 | Very low | 128 Ų | 128 | 137.9 Ų | 137.9 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | trans | 60.3 | 136.6 | 152.6 | 47.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1320 | S | 31.3 | Very low | 29.5 | Very low | 98 Ų | 98 | 144.6 Ų | 144.6 | 69% | 0.685 | 76% | 0.759 | S | S | * | * | cis | -165.5 | 126.5 | -5.8 | 37.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1321 | S | 31.8 | Very low | 29.3 | Very low | 107 Ų | 107 | 144.5 Ų | 144.5 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | 65.2 | 137.8 | 87.5 | -53.5 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1322 | N | 29.6 | Very low | 29.2 | Very low | 121 Ų | 121 | 142.8 Ų | 142.8 | 65% | 0.647 | 75% | 0.75 | S | S | * | * | cis | -158.5 | -177 | 1.4 | -128.3 | -26.9 | 0 | 0 | 0 | 107.5 | ||||
| 1323 | Q | 31.2 | Very low | 28.6 | Very low | 164 Ų | 164 | 145.7 Ų | 145.7 | 77% | 0.766 | 76% | 0.761 | S | S | * | * | cis | -158.1 | -160.7 | 9.4 | -141.3 | 144.4 | 13.7 | 0 | 0 | 108.5 | ||||
| 1324 | L | 25.4 | Very low | 28.1 | Very low | 135 Ų | 135 | 146.4 Ų | 146.4 | 71% | 0.707 | 76% | 0.763 | S | S | * | * | -140.8 | 157.5 | -97 | -170.5 | 75.8 | 0 | 0 | 0 | 110.8 | |||||
| 1325 | R | 22.4 | Very low | 27.9 | Very low | 235 Ų | 235 | 143.9 Ų | 143.9 | 89% | 0.887 | 76% | 0.762 | S | S | * | * | trans | -68.1 | 132.9 | 165.1 | -73.8 | -178 | 174.4 | 121.4 | -3.1 | 111.4 | ||||
| 1326 | N | 27.8 | Very low | 27.8 | Very low | 137 Ų | 137 | 143.4 Ų | 143.4 | 73% | 0.733 | 76% | 0.758 | S | S | * | * | trans | -162 | 144 | 153.6 | -86.7 | -28.9 | 0 | 0 | 0 | 106.3 | ||||
| 1327 | F | 23.5 | Very low | 27.6 | Very low | 186 Ų | 186 | 140.4 Ų | 140.4 | 82% | 0.816 | 76% | 0.762 | S | S | * | * | cis | -147.6 | 157.2 | -0.9 | -150.4 | -103.3 | 0 | 0 | 0 | 108.7 | ||||
| 1328 | L | 24.1 | Very low | 27.4 | Very low | 162 Ų | 162 | 144 Ų | 144 | 85% | 0.848 | 76% | 0.762 | S | S | * | * | trans | -98.3 | 142.7 | 170.7 | -91.1 | 172.1 | 0 | 0 | 0 | 111 | ||||
| 1329 | N | 23.5 | Very low | 27.3 | Very low | 160 Ų | 160 | 145.5 Ų | 145.5 | 86% | 0.856 | 77% | 0.767 | S | S | * | * | trans | -61.2 | 134.3 | -176.8 | -79.6 | -35.3 | 0 | 0 | 0 | 114.2 | ||||
| 1330 | R | 26.5 | Very low | 27.1 | Very low | 237 Ų | 237 | 144.6 Ų | 144.6 | 89% | 0.894 | 76% | 0.762 | S | S | * | * | trans | -162.7 | 103.4 | 143.8 | -114.4 | 171.8 | -178.1 | -168.6 | -1 | 113.7 | ||||
| 1331 | L | 25.6 | Very low | 27 | Very low | 150 Ų | 150 | 147.7 Ų | 147.7 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | 12.7 | 148.1 | 123.4 | -58.2 | 178.1 | 0 | 0 | 0 | 118.1 | |||||
| 1332 | D | 25.9 | Very low | 26.8 | Very low | 122 Ų | 122 | 147.5 Ų | 147.5 | 65% | 0.652 | 76% | 0.759 | S | S | * | * | cis | -164.8 | -177.2 | 20.6 | -135.4 | -38.1 | 0 | 0 | 0 | 113.8 | ||||
| 1333 | N | 27.8 | Very low | 26.8 | Very low | 146 Ų | 146 | 147.3 Ų | 147.3 | 78% | 0.781 | 76% | 0.763 | S | S | * | * | trans | 82.9 | 139.7 | 170.4 | -49.7 | -70.4 | 0 | 0 | 0 | 116.3 | ||||
| 1334 | V | 28.3 | Very low | 26.7 | Very low | 130 Ų | 130 | 147.9 Ų | 147.9 | 79% | 0.788 | 76% | 0.763 | S | S | * | * | cis | -140.2 | 142 | -4.3 | -163.5 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 1335 | S | 25.9 | Very low | 26.8 | Very low | 98 Ų | 98 | 147 Ų | 147 | 69% | 0.685 | 76% | 0.759 | S | S | * | * | -172.3 | 128.8 | 60.4 | -174.7 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1336 | I | 26.6 | Very low | 27.1 | Very low | 131 Ų | 131 | 142.6 Ų | 142.6 | 67% | 0.672 | 75% | 0.753 | S | S | * | * | trans | 18.7 | 118.2 | 136.2 | -53.2 | 168.1 | 0 | 0 | 0 | 118.2 | Y1338 | I1336-Y1338 HydrophobicContact CG2-CD2 4.2Å; I1336-Y1338 HydrophobicContact CG2-CE2 3.67Å | ||
| 1337 | G | 28.5 | Very low | 27.1 | Very low | 78 Ų | 78 | 142.4 Ų | 142.4 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | trans | -152.3 | 118.3 | 156.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1338 | Y | 27.5 | Very low | 27.4 | Very low | 206 Ų | 206 | 143.7 Ų | 143.7 | 81% | 0.808 | 75% | 0.75 | S | S | * | * | trans | -74.9 | 159 | 179.9 | -49.8 | -100.7 | 0 | 0 | 0 | 110.3 | I1336 | I1336-Y1338 HydrophobicContact CG2-CD2 4.2Å; I1336-Y1338 HydrophobicContact CG2-CE2 3.67Å | ||
| 1339 | T | 28.6 | Very low | 27.6 | Very low | 124 Ų | 124 | 142.3 Ų | 142.3 | 76% | 0.761 | 74% | 0.743 | S | S | * | * | cis | -151.4 | 162.5 | 25.9 | 41.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1340 | T | 26.8 | Very low | 27.8 | Very low | 110 Ų | 110 | 141.1 Ų | 141.1 | 68% | 0.675 | 74% | 0.736 | S | S | * | * | trans | -15.4 | 162.3 | 151.5 | 62.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1341 | H | 30.2 | Very low | 27.9 | Very low | 162 Ų | 162 | 135.6 Ų | 135.6 | 75% | 0.75 | 72% | 0.724 | S | S | * | * | cis | -158.8 | 153.3 | 28.5 | -123 | -64.3 | 0 | 0 | 0 | 115.4 | ||||
| 1342 | T | 28 | Very low | 28.2 | Very low | 103 Ų | 103 | 135.2 Ų | 135.2 | 63% | 0.632 | 72% | 0.718 | S | S | * | * | trans | -19.7 | 121.2 | 163.6 | 48.9 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 1343 | T | 28.3 | Very low | 28.5 | Very low | 118 Ų | 118 | 136.4 Ų | 136.4 | 72% | 0.724 | 72% | 0.717 | S | S | * | * | 46.4 | 140.2 | 117.7 | 64 | 0 | 0 | 0 | 0 | 126.4 | |||||
| 1344 | K | 28.8 | Very low | 28.5 | Very low | 175 Ų | 175 | 136 Ų | 136 | 76% | 0.761 | 72% | 0.715 | S | S | * | * | trans | 74.7 | 151.2 | 149.6 | -70.5 | 178.7 | 152.2 | -66.1 | 0 | 118.7 | ||||
| 1345 | D | 28.4 | Very low | 28.7 | Very low | 116 Ų | 116 | 135.1 Ų | 135.1 | 62% | 0.62 | 71% | 0.71 | S | S | * | * | cis | -159.8 | 157 | -10.7 | -97.9 | -24.1 | 0 | 0 | 0 | 110.2 | ||||
| 1346 | D | 27.9 | Very low | 28.8 | Very low | 143 Ų | 143 | 136.3 Ų | 136.3 | 77% | 0.765 | 71% | 0.709 | S | S | * | * | trans | 65.4 | 132.8 | 149.2 | -90.5 | -20.2 | 0 | 0 | 0 | 126.6 | ||||
| 1347 | I | 29.5 | Very low | 28.9 | Very low | 133 Ų | 133 | 137.5 Ų | 137.5 | 68% | 0.682 | 72% | 0.717 | S | S | * | * | trans | 85.2 | 97.9 | 139.4 | -65 | 167.8 | 0 | 0 | 0 | 122.4 | ||||
| 1348 | R | 28.4 | Very low | 29 | Very low | 213 Ų | 213 | 141.3 Ų | 141.3 | 80% | 0.804 | 71% | 0.714 | S | S | * | * | 66.4 | 117.2 | 127.1 | -68.1 | -175.2 | 172.3 | -179.5 | -3.1 | 124.9 | |||||
| 1349 | L | 28.5 | Very low | 29.2 | Very low | 134 Ų | 134 | 137.4 Ų | 137.4 | 70% | 0.702 | 71% | 0.706 | S | S | * | * | 85.5 | 118.7 | 117.6 | -72.3 | 176.2 | 0 | 0 | 0 | 122.7 | |||||
| 1350 | L | 27.2 | Very low | 29.4 | Very low | 135 Ų | 135 | 138.1 Ų | 138.1 | 71% | 0.707 | 71% | 0.71 | S | S | * | * | trans | 69.3 | 143.2 | 144 | -51.3 | 174.5 | 0 | 0 | 0 | 117.7 | ||||
| 1351 | D | 29.6 | Very low | 29.5 | Very low | 121 Ų | 121 | 141.1 Ų | 141.1 | 65% | 0.647 | 72% | 0.716 | S | S | * | * | cis | -155.1 | 169.4 | -6.8 | -109 | -24.4 | 0 | 0 | 0 | 111.1 | ||||
| 1352 | E | 30.7 | Very low | 29.6 | Very low | 141 Ų | 141 | 141.4 Ų | 141.4 | 66% | 0.659 | 72% | 0.718 | S | S | * | * | trans | 12.7 | 148.9 | 154.7 | -50.7 | -174.8 | 127.2 | 0 | 0 | 121.2 | ||||
| 1353 | K | 32.2 | Very low | 29.8 | Very low | 147 Ų | 147 | 142.7 Ų | 142.7 | 64% | 0.639 | 72% | 0.72 | S | S | * | * | cis | -173.7 | 142.6 | 38.3 | -140.4 | 144.5 | -164.9 | 153.5 | 0 | 113.2 | ||||
| 1354 | N | 29.3 | Very low | 29.9 | Very low | 138 Ų | 138 | 144.3 Ų | 144.3 | 74% | 0.738 | 72% | 0.72 | S | S | * | * | trans | 53.6 | 164.5 | 154.4 | -57.4 | 15.9 | 0 | 0 | 0 | 119.2 | ||||
| 1355 | T | 30.9 | Very low | 30.1 | Very low | 111 Ų | 111 | 143.2 Ų | 143.2 | 68% | 0.681 | 72% | 0.722 | S | S | * | * | cis | -134.5 | 139.4 | 9.7 | 48.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1356 | D | 28.3 | Very low | 30.2 | Very low | 124 Ų | 124 | 145 Ų | 145 | 66% | 0.663 | 73% | 0.732 | S | S | * | * | 36.8 | 124.2 | 124.5 | -35.5 | -45.3 | 0 | 0 | 0 | 120.7 | |||||
| 1357 | D | 30.2 | Very low | 30.2 | Very low | 156 Ų | 156 | 145.4 Ų | 145.4 | 83% | 0.834 | 73% | 0.734 | S | S | * | * | -175.7 | 151.4 | 100.3 | -103.4 | -28.9 | 0 | 0 | 0 | 116.2 | |||||
| 1358 | E | 30.9 | Very low | 30.1 | Very low | 157 Ų | 157 | 144.8 Ų | 144.8 | 73% | 0.734 | 74% | 0.736 | S | S | * | * | trans | 52.4 | 117.4 | 156.6 | -65.2 | -161.6 | 133.6 | 0 | 0 | 126 | ||||
| 1359 | I | 31 | Very low | 30.1 | Very low | 125 Ų | 125 | 141.3 Ų | 141.3 | 64% | 0.641 | 73% | 0.733 | S | S | * | * | 69.7 | 113.3 | 124.8 | -58 | 170 | 0 | 0 | 0 | 120.8 | |||||
| 1360 | T | 31.6 | Very low | 30.3 | Very low | 139 Ų | 139 | 140.5 Ų | 140.5 | 85% | 0.853 | 73% | 0.734 | S | S | * | * | -154.9 | 156.2 | 110.2 | 15.9 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 1361 | E | 30 | Very low | 30.4 | Very low | 172 Ų | 172 | 140.6 Ų | 140.6 | 80% | 0.804 | 74% | 0.735 | S | S | * | * | trans | -88.9 | 152.2 | -170.6 | -60.4 | 151 | 121 | 0 | 0 | 112.7 | ||||
| 1362 | E | 31 | Very low | 30.3 | Very low | 169 Ų | 169 | 142.4 Ų | 142.4 | 79% | 0.79 | 74% | 0.739 | S | S | * | * | 167.7 | 120.2 | 108.2 | -87.3 | -169.5 | 161.6 | 0 | 0 | 113.9 | |||||
| 1363 | L | 32.3 | Very low | 30.1 | Very low | 129 Ų | 129 | 140.4 Ų | 140.4 | 68% | 0.675 | 73% | 0.733 | S | S | * | * | trans | 67 | 122.7 | 136 | -54.2 | 178.3 | 0 | 0 | 0 | 124.4 | ||||
| 1364 | E | 31.8 | Very low | 30 | Very low | 153 Ų | 153 | 141 Ų | 141 | 72% | 0.715 | 74% | 0.742 | S | S | * | * | 81.7 | 103.6 | 125.5 | -67.7 | 173.2 | -174.5 | 0 | 0 | 123 | |||||
| 1365 | D | 32.1 | Very low | 29.9 | Very low | 152 Ų | 152 | 139.8 Ų | 139.8 | 81% | 0.813 | 74% | 0.739 | S | S | * | * | 84.8 | 161.1 | 118 | -65.8 | 15.7 | 0 | 0 | 0 | 123.3 | |||||
| 1366 | D | 30.5 | Very low | 29.9 | Very low | 153 Ų | 153 | 142.3 Ų | 142.3 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | trans | -101.8 | 159.2 | -155.6 | -62.8 | -64.9 | 0 | 0 | 0 | 116.2 | ||||
| 1367 | D | 27.7 | Very low | 29.9 | Very low | 151 Ų | 151 | 139.5 Ų | 139.5 | 81% | 0.807 | 75% | 0.747 | S | S | * | * | trans | 65.6 | 131.4 | 141.7 | -99.9 | -10.8 | 0 | 0 | 0 | 123.8 | ||||
| 1368 | V | 28.4 | Very low | 29.9 | Very low | 121 Ų | 121 | 138.2 Ų | 138.2 | 73% | 0.733 | 74% | 0.744 | S | S | * | * | trans | 69.4 | 152 | 157.8 | -117.5 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1369 | D | 28.7 | Very low | 29.8 | Very low | 139 Ų | 139 | 137.5 Ų | 137.5 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | trans | 65.7 | 94.9 | 157.5 | -67.3 | -19.6 | 0 | 0 | 0 | 122.8 | ||||
| 1370 | V | 32.3 | Very low | 29.8 | Very low | 117 Ų | 117 | 136.2 Ų | 136.2 | 71% | 0.709 | 75% | 0.748 | S | S | * | * | 40.2 | 114.1 | 112.5 | -176.7 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 1371 | D | 28.2 | Very low | 29.8 | Very low | 137 Ų | 137 | 138 Ų | 138 | 73% | 0.733 | 74% | 0.744 | S | S | * | * | trans | 60 | 138.9 | 155.3 | -68.8 | -39.7 | 0 | 0 | 0 | 119.2 | ||||
| 1372 | H | 27.4 | Very low | 29.8 | Very low | 160 Ų | 160 | 137.3 Ų | 137.3 | 74% | 0.741 | 74% | 0.741 | S | S | * | * | cis | -150.7 | -171 | 1.6 | -136.8 | 61.3 | 0 | 0 | 0 | 106.9 | ||||
| 1373 | D | 27.3 | Very low | 29.8 | Very low | 99 Ų | 99 | 135 Ų | 135 | 53% | 0.529 | 73% | 0.733 | S | S | . | * | cis | -157.1 | 166.4 | 18.8 | 168.4 | 48.4 | 0 | 0 | 0 | 109 | T1375 | D1373-T1375 VanDerWaalsContact OD2-CA 3.27Å; D1373-T1375 WeakPolarHBondContact OD2-CA 3.46Å; D1373-T1375 WeakPolarHBondContact OD2-CB 3.22Å; D1373-T1375 PolarHBondContact OD2-N 3.06Å; D1373-T1375 PolarHBondContact OD2-OG1 3.43Å | ||
| 1374 | I | 30.7 | Very low | 29.7 | Very low | 160 Ų | 160 | 136.5 Ų | 136.5 | 82% | 0.821 | 74% | 0.737 | S | S | * | * | trans | -103 | 88.7 | 160.8 | -61.1 | -177.4 | 0 | 0 | 0 | 109.8 | I1376 | I1374-I1376 PolarHBondContact O-N 3.35Š| ||
| 1375 | T | 26.9 | Very low | 29.7 | Very low | 111 Ų | 111 | 137.2 Ų | 137.2 | 68% | 0.681 | 74% | 0.738 | S | S | * | * | trans | -79.3 | 112.3 | 178.3 | -62.2 | 0 | 0 | 0 | 0 | 112.3 | D1373 | D1373-T1375 VanDerWaalsContact OD2-CA 3.27Å; D1373-T1375 WeakPolarHBondContact OD2-CA 3.46Å; D1373-T1375 WeakPolarHBondContact OD2-CB 3.22Å; D1373-T1375 PolarHBondContact OD2-N 3.06Å; D1373-T1375 PolarHBondContact OD2-OG1 3.43Å | ||
| 1376 | I | 30 | Very low | 29.5 | Very low | 165 Ų | 165 | 138.2 Ų | 138.2 | 85% | 0.846 | 74% | 0.737 | S | S | * | * | trans | -140.5 | 98.8 | 147.8 | -54.2 | -178.7 | 0 | 0 | 0 | 108.1 | I1374 | I1374-I1376 PolarHBondContact O-N 3.35Š| ||
| 1377 | G | 28.9 | Very low | 29.9 | Very low | 65 Ų | 65 | 136.3 Ų | 136.3 | 67% | 0.67 | 73% | 0.733 | S | S | * | * | trans | -147.6 | -17.6 | -165.8 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1378 | V | 30.8 | Very low | 29.9 | Very low | 128 Ų | 128 | 136 Ų | 136 | 78% | 0.776 | 73% | 0.731 | S | S | * | * | trans | 70.8 | 131.6 | 167.9 | -178.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1379 | N | 28.8 | Very low | 30 | Very low | 142 Ų | 142 | 137.6 Ų | 137.6 | 76% | 0.759 | 74% | 0.735 | S | S | * | * | trans | 75.9 | 81.9 | 156.6 | -72.3 | -14.3 | 0 | 0 | 0 | 123.9 | ||||
| 1380 | S | 30.3 | Very low | 30 | Very low | 99 Ų | 99 | 134.5 Ų | 134.5 | 69% | 0.692 | 74% | 0.737 | S | S | * | * | 91.2 | 138.5 | 103.4 | 79.6 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 1381 | K | 31.4 | Very low | 29.8 | Very low | 176 Ų | 176 | 137.7 Ų | 137.7 | 77% | 0.765 | 74% | 0.744 | S | S | * | * | trans | 82.7 | 90.5 | 149.9 | -73.7 | 179.3 | 178.6 | 177.2 | 0 | 122 | ||||
| 1382 | Q | 30.8 | Very low | 29.6 | Very low | 157 Ų | 157 | 136.8 Ų | 136.8 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | 83.5 | 130.2 | 108.1 | -85.3 | -179.2 | -42.9 | 0 | 0 | 122.6 | |||||
| 1383 | N | 30.3 | Very low | 29.6 | Very low | 120 Ų | 120 | 135.5 Ų | 135.5 | 64% | 0.642 | 74% | 0.741 | S | S | * | * | trans | 98 | 88.6 | 140.5 | -62.8 | -7.6 | 0 | 0 | 0 | 121.8 | ||||
| 1384 | H | 31.3 | Very low | 29.6 | Very low | 161 Ų | 161 | 132.3 Ų | 132.3 | 75% | 0.745 | 72% | 0.723 | S | S | * | * | 79.1 | 128.6 | 113.5 | -78.6 | -54.9 | 0 | 0 | 0 | 123.8 | |||||
| 1385 | K | 31.8 | Very low | 29.8 | Very low | 168 Ų | 168 | 128.3 Ų | 128.3 | 73% | 0.73 | 71% | 0.709 | S | S | * | * | trans | 87.8 | 95.7 | 137.9 | -74.2 | -179.2 | 173.1 | -169.5 | 0 | 121.6 | ||||
| 1386 | E | 26.3 | Very low | 29.8 | Very low | 173 Ų | 173 | 129.5 Ų | 129.5 | 81% | 0.808 | 71% | 0.705 | S | S | * | * | 61.3 | 150.9 | 110.8 | -68.1 | 174.8 | 138.6 | 0 | 0 | 122.1 | |||||
| 1387 | P | 39.9 | Very low | 29.7 | Very low | 113 Ų | 113 | 126.7 Ų | 126.7 | 73% | 0.734 | 70% | 0.695 | S | S | * | * | trans | -131.2 | -136.4 | -151.1 | 42 | -21 | 0 | 0 | 0 | 114.5 | ||||
| 1388 | L | 28.7 | Very low | 29.7 | Very low | 145 Ų | 145 | 130.6 Ų | 130.6 | 76% | 0.759 | 70% | 0.701 | S | S | * | * | trans | 83.5 | 141 | -176.6 | -47.3 | 173 | 0 | 0 | 0 | 114.1 | ||||
| 1389 | N | 29.2 | Very low | 29.7 | Very low | 154 Ų | 154 | 132.9 Ų | 132.9 | 82% | 0.824 | 71% | 0.707 | S | S | * | * | cis | -165.6 | 161.7 | -7.4 | -108.4 | -4.4 | 0 | 0 | 0 | 110 | ||||
| 1390 | G | 29.5 | Very low | 29.4 | Very low | 75 Ų | 75 | 131.2 Ų | 131.2 | 77% | 0.773 | 71% | 0.705 | S | S | * | * | trans | 115.4 | 88.4 | 148.7 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1391 | E | 27.9 | Very low | 29.2 | Very low | 184 Ų | 184 | 135.6 Ų | 135.6 | 86% | 0.86 | 71% | 0.712 | S | S | * | * | trans | -0.6 | 143.8 | 153.1 | -56 | -176.7 | 144.5 | 0 | 0 | 124.8 | ||||
| 1392 | C | 24 | Very low | 29.3 | Very low | 118 Ų | 118 | 132.2 Ų | 132.2 | 80% | 0.797 | 71% | 0.708 | S | S | * | * | trans | 65.1 | 139.8 | 141 | -71.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1393 | Q | 26.1 | Very low | 29.2 | Very low | 133 Ų | 133 | 130.7 Ų | 130.7 | 62% | 0.621 | 71% | 0.709 | S | S | * | * | cis | -133.3 | -163.9 | 4.6 | -63.3 | -169.1 | -41.1 | 0 | 0 | 112.6 | Y466 L467 | Y466-Q1393 CarbonylContact O-C 3.6Å; Y466-Q1393 WeakPolarHBondContact O-CB 3.39Å; L467-Q1393 VanDerWaalsContact N-OE1 3.11Å | ||
| 1394 | E | 28.7 | Very low | 29.2 | Very low | 31 Ų | 31 | 134.3 Ų | 134.3 | 15% | 0.145 | 72% | 0.722 | C | S | . | * | trans | -70.6 | 171.4 | -163.6 | -123.4 | -179.5 | 10.9 | 0 | 0 | 120.5 | Y466 L467 Q468 P469 K1475 | Y466-E1394 WeakPolarHBondContact O-CA 3.48Å; Y466-E1394 WeakPolarHBondContact O-CB 3.41Å; Y466-E1394 PolarHBondContact O-N 3.19Å; L467-E1394 HydrophobicContact CB-CB 3.4Å; L467-E1394 HydrophobicContact CB-CG 4.37Å; L467-E1394 VanDerWaalsContact CB-OE1 3.32Å; L467-E1394 WeakPolarHBondContact CB-OE1 3.33Å; Q468-E1394 VanDerWaalsContact C-OE2 3.31Å; Q468-E1394 WeakPolarHBondContact CA-OE1 3.49Å; Q468-E1394 WeakPolarHBondContact CB-OE1 3.43Å; Q468-E1394 PolarHBondContact N-OE1 2.81Å; Q468-E1394 WeakPolarHBondContact O-CG 3.45Å; P469-E1394 WeakPolarHBondContact CB-OE2 3.36Å; P469-E1394 WeakPolarHBondContact CD-OE2 3.5Å; P469-E1394 WeakPolarHBondContact CG-OE2 3.49Å; E1394-K1475 HydrophobicContact CB-CD 4.36Å; E1394-K1475 HydrophobicContact CG-CD 3.71Å; E1394-K1475 HydrophobicContact CG-CG 4.18Å; E1394-K1475 WeakPolarHBondContact OE1-CD 3.2Å; E1394-K1475 WeakPolarHBondContact OE1-CG 3.2Å; E1394-K1475 WeakPolarHBondContact OE2-CE 3.48Å; E1394-K1475 IonicContact OE2-NZ 2.62Å; E1394-K1475 PolarHBondContact OE2-NZ 3.12Å | ||
| 1395 | S | 33.7 | Very low | 29.2 | Very low | 76 Ų | 76 | 130.2 Ų | 130.2 | 53% | 0.531 | 72% | 0.724 | S | S | . | * | trans | -106.4 | 177.9 | -167.9 | 58.6 | 0 | 0 | 0 | 0 | 115.3 | K1475 | S1395-K1475 VanDerWaalsContact O-CB 3.3Å; S1395-K1475 WeakPolarHBondContact O-CB 3.42Å; S1395-K1475 WeakPolarHBondContact O-CD 3.28Å; S1395-K1475 WeakPolarHBondContact O-CG 3.46Å | ||
| 1396 | F | 27.9 | Very low | 29.1 | Very low | 137 Ų | 137 | 129.6 Ų | 129.6 | 60% | 0.601 | 73% | 0.728 | S | S | * | * | trans | -153.2 | 156.8 | 138.4 | -148.4 | 18.1 | 0 | 0 | 0 | 114.5 | K1475 | F1396-K1475 HydrophobicContact CB-CB 4.13Å; F1396-K1475 HydrophobicContact CD1-CB 3.53Å; F1396-K1475 HydrophobicContact CD1-CD 4.34Å; F1396-K1475 HydrophobicContact CD2-CB 4.15Å; F1396-K1475 WeakPolarHBondContact CD2-O 3.35Å; F1396-K1475 HydrophobicContact CE1-CB 3.84Å; F1396-K1475 HydrophobicContact CE2-CB 4.42Å; F1396-K1475 WeakPolarHBondContact CE2-O 3.29Å; F1396-K1475 HydrophobicContact CG-CB 3.69Å; F1396-K1475 WeakPolarHBondContact CG-O 3.43Å; F1396-K1475 HydrophobicContact CZ-CB 4.26Å | ||
| 1397 | V | 28.6 | Very low | 29.2 | Very low | 105 Ų | 105 | 132.5 Ų | 132.5 | 64% | 0.636 | 73% | 0.732 | S | S | * | * | trans | 61.5 | 106.8 | 166 | -167.7 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1398 | N | 28.5 | Very low | 28.6 | Very low | 148 Ų | 148 | 134.4 Ų | 134.4 | 79% | 0.791 | 74% | 0.735 | S | S | * | * | trans | 26.8 | 137.1 | 137.6 | -52.9 | -15.2 | 0 | 0 | 0 | 122.3 | ||||
| 1399 | I | 29.4 | Very low | 28.5 | Very low | 176 Ų | 176 | 132.8 Ų | 132.8 | 90% | 0.903 | 74% | 0.742 | S | S | * | * | -147 | 157.6 | 118.4 | -108.2 | 160.3 | 0 | 0 | 0 | 111.7 | |||||
| 1400 | C | 23.8 | Very low | 28.2 | Very low | 106 Ų | 106 | 135 Ų | 135 | 72% | 0.716 | 74% | 0.739 | S | S | * | * | trans | -69.7 | 138.1 | -167.9 | -83.2 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1401 | K | 24.6 | Very low | 28 | Very low | 191 Ų | 191 | 138 Ų | 138 | 83% | 0.83 | 74% | 0.742 | S | S | * | * | 53.7 | -177.3 | 114.6 | -94.3 | 176.4 | -178.7 | -178.9 | 0 | 119.5 | |||||
| 1402 | P | 34.9 | Very low | 27.7 | Very low | 106 Ų | 106 | 133 Ų | 133 | 69% | 0.688 | 73% | 0.725 | S | S | * | * | cis | -131.5 | -141.5 | -26.1 | 27.8 | -3.1 | 0 | 0 | 0 | 111.7 | ||||
| 1403 | V | 28.2 | Very low | 27.7 | Very low | 124 Ų | 124 | 135.6 Ų | 135.6 | 75% | 0.752 | 73% | 0.725 | S | S | * | * | trans | 84.7 | 116 | 160.9 | 178.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1404 | Q | 30.9 | Very low | 27.6 | Very low | 197 Ų | 197 | 135.1 Ų | 135.1 | 92% | 0.921 | 73% | 0.731 | S | S | * | * | cis | -137.6 | 172.1 | 10.1 | -62 | 175.1 | -35.9 | 0 | 0 | 112.4 | ||||
| 1405 | G | 30 | Very low | 27.4 | Very low | 75 Ų | 75 | 140.9 Ų | 140.9 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | trans | 139.7 | 90 | 157.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1406 | N | 29.3 | Very low | 27 | Very low | 154 Ų | 154 | 146 Ų | 146 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | trans | -92.6 | 129.2 | -178.7 | -72.7 | -18.9 | 0 | 0 | 0 | 113.5 | ||||
| 1407 | R | 30.4 | Very low | 26.8 | Very low | 234 Ų | 234 | 144.3 Ų | 144.3 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | 166.7 | 114.4 | 115.2 | -88.5 | 176.3 | -178.3 | -151.8 | -1.2 | 108.1 | |||||
| 1408 | L | 26.5 | Very low | 26.5 | Very low | 154 Ų | 154 | 146.5 Ų | 146.5 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | 62.7 | 89.9 | 69.7 | -77 | 167.5 | 0 | 0 | 0 | 114.5 | |||||
| 1409 | A | 26.7 | Very low | 26.4 | Very low | 110 Ų | 110 | 148.2 Ų | 148.2 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | -142.9 | 109.2 | 127.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 1410 | R | 22.8 | Very low | 26.2 | Very low | 200 Ų | 200 | 149 Ų | 149 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | trans | -144.8 | 127.4 | 163.4 | -179.6 | -174 | -176.4 | -171.5 | 1.5 | 106.3 | ||||
| 1411 | V | 24.2 | Very low | 26.5 | Very low | 140 Ų | 140 | 150.5 Ų | 150.5 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | trans | -123.7 | 143.9 | 160 | 178.2 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 1412 | T | 23 | Very low | 26.6 | Very low | 79 Ų | 79 | 145.9 Ų | 145.9 | 49% | 0.485 | 78% | 0.784 | S | S | . | * | trans | -132.3 | 141.8 | 167.7 | 36.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1413 | E | 23.5 | Very low | 26.3 | Very low | 172 Ų | 172 | 150.3 Ų | 150.3 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | 74.6 | 130.4 | 156.4 | -75 | 155.4 | -140.8 | 0 | 0 | 119.9 | ||||
| 1414 | V | 24.7 | Very low | 26.4 | Very low | 123 Ų | 123 | 151.3 Ų | 151.3 | 75% | 0.745 | 80% | 0.797 | S | S | * | * | trans | 63.7 | 98.5 | 145.6 | -176.2 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1415 | N | 24 | Very low | 26.5 | Very low | 151 Ų | 151 | 150 Ų | 150 | 81% | 0.807 | 80% | 0.796 | S | S | * | * | -156.1 | 164.8 | 101 | -104.5 | -31.1 | 0 | 0 | 0 | 112.1 | |||||
| 1416 | E | 24.2 | Very low | 26.4 | Very low | 184 Ų | 184 | 152.5 Ų | 152.5 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | trans | -81.4 | 122.5 | -177.8 | -60.2 | 160.5 | 133.8 | 0 | 0 | 111.4 | ||||
| 1417 | S | 24.1 | Very low | 26.4 | Very low | 102 Ų | 102 | 152.7 Ų | 152.7 | 71% | 0.713 | 80% | 0.797 | S | S | * | * | trans | -179.1 | 121.6 | 140.9 | 26.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 1418 | D | 23.8 | Very low | 26.5 | Very low | 151 Ų | 151 | 147.1 Ų | 147.1 | 81% | 0.807 | 79% | 0.785 | S | S | * | * | trans | 51.5 | 94.4 | 142.4 | -45.2 | -20.1 | 0 | 0 | 0 | 119.3 | ||||
| 1419 | F | 25.5 | Very low | 26.9 | Very low | 184 Ų | 184 | 149.2 Ų | 149.2 | 81% | 0.807 | 78% | 0.783 | S | S | * | * | -154.3 | 83.1 | 128.6 | -137.1 | -89.8 | 0 | 0 | 0 | 111.8 | L1421 | F1419-L1421 HydrophobicContact CD1-CD1 4.36Å; F1419-L1421 HydrophobicContact CD1-CG 3.99Å; F1419-L1421 HydrophobicContact CE1-CD1 4.38Å; F1419-L1421 HydrophobicContact CE1-CD2 4Å; F1419-L1421 HydrophobicContact CE1-CG 3.97Å | |||
| 1420 | E | 26.2 | Very low | 27.1 | Very low | 192 Ų | 192 | 151.3 Ų | 151.3 | 90% | 0.897 | 78% | 0.779 | S | S | * | * | trans | -75.7 | 142.2 | 163.9 | -69 | -172.9 | 136.9 | 0 | 0 | 110 | ||||
| 1421 | L | 29.6 | Very low | 27.9 | Very low | 138 Ų | 138 | 148.6 Ų | 148.6 | 72% | 0.723 | 78% | 0.78 | S | S | * | * | trans | -124.5 | 85.2 | 173.3 | -88.7 | 172.1 | 0 | 0 | 0 | 110.2 | F1419 | F1419-L1421 HydrophobicContact CD1-CD1 4.36Å; F1419-L1421 HydrophobicContact CD1-CG 3.99Å; F1419-L1421 HydrophobicContact CE1-CD1 4.38Å; F1419-L1421 HydrophobicContact CE1-CD2 4Å; F1419-L1421 HydrophobicContact CE1-CG 3.97Å | ||
| 1422 | S | 25.5 | Very low | 28.5 | Very low | 94 Ų | 94 | 148.7 Ų | 148.7 | 66% | 0.657 | 78% | 0.776 | S | S | * | * | trans | 38.4 | 90 | 146 | 63.9 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1423 | E | 29.9 | Very low | 29.3 | Very low | 199 Ų | 199 | 151.4 Ų | 151.4 | 93% | 0.93 | 79% | 0.787 | S | S | * | * | trans | -114.7 | 88.8 | 142.2 | -76.9 | -169.9 | 159 | 0 | 0 | 107.8 | ||||
| 1424 | D | 29.3 | Very low | 30 | Very low | 145 Ų | 145 | 149.8 Ų | 149.8 | 78% | 0.775 | 78% | 0.784 | S | S | * | * | trans | -105.1 | 93 | 166.2 | -78.7 | -54.3 | 0 | 0 | 0 | 108.6 | V1426 | D1424-V1426 HydrophobicContact CB-CG2 4.37Å; D1424-V1426 PolarHBondContact O-N 2.8Å | ||
| 1425 | D | 34.2 | Very low | 30.6 | Very low | 168 Ų | 168 | 150.9 Ų | 150.9 | 90% | 0.898 | 79% | 0.785 | S | S | * | * | trans | -74.7 | 106.4 | 161.5 | -93.8 | -32.7 | 0 | 0 | 0 | 107.8 | D1427 | D1425-D1427 PolarHBondContact O-N 3.42Š| ||
| 1426 | V | 27.7 | Very low | 31.1 | Very low | 129 Ų | 129 | 146.9 Ų | 146.9 | 78% | 0.782 | 78% | 0.78 | S | S | * | * | trans | -89.2 | 93.8 | -175.6 | -172.9 | 0 | 0 | 0 | 0 | 111.1 | D1424 | D1424-V1426 HydrophobicContact CB-CG2 4.37Å; D1424-V1426 PolarHBondContact O-N 2.8Å | ||
| 1427 | D | 29.4 | Very low | 31.6 | Very low | 157 Ų | 157 | 146.3 Ų | 146.3 | 84% | 0.84 | 78% | 0.783 | S | S | * | * | trans | -107.5 | 89.5 | 164.5 | -93.5 | -24.6 | 0 | 0 | 0 | 109.7 | D1425 | D1425-D1427 PolarHBondContact O-N 3.42Š| ||
| 1428 | D | 32.3 | Very low | 32.1 | Very low | 117 Ų | 117 | 144 Ų | 144 | 63% | 0.626 | 78% | 0.776 | S | S | * | * | S | Bend | trans | 173.4 | 124.5 | 131.9 | -97.8 | -16.6 | 0 | 0 | 0 | 114 | ||
| 1429 | Y | 33.9 | Very low | 32.6 | Very low | 198 Ų | 198 | 141.6 Ų | 141.6 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | 52.1 | 112 | 161 | -46.2 | -62.9 | 0 | 0 | 0 | 122.9 | ||||
| 1430 | D | 31.9 | Very low | 32.9 | Very low | 154 Ų | 154 | 140.7 Ų | 140.7 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | trans | -76.6 | 135.8 | 139.2 | -67.7 | -59.1 | 0 | 0 | 0 | 110.2 | ||||
| 1431 | D | 38.2 | Very low | 33.2 | Very low | 143 Ų | 143 | 135 Ų | 135 | 77% | 0.765 | 76% | 0.755 | S | S | * | * | trans | 163.4 | 108.8 | 131.5 | -86 | -7.4 | 0 | 0 | 0 | 110.4 | ||||
| 1432 | D | 38 | Very low | 33.4 | Very low | 143 Ų | 143 | 134.9 Ų | 134.9 | 77% | 0.765 | 76% | 0.755 | S | S | * | * | trans | 61.7 | 142.1 | 151.5 | -50.8 | -15.5 | 0 | 0 | 0 | 120.7 | ||||
| 1433 | D | 39 | Very low | 33.8 | Very low | 135 Ų | 135 | 137 Ų | 137 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | cis | -162.3 | 163.3 | 0.2 | -127.9 | -17.9 | 0 | 0 | 0 | 113.1 | ||||
| 1434 | D | 39.4 | Very low | 34.1 | Very low | 139 Ų | 139 | 133.4 Ų | 133.4 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | trans | 38.6 | 134.5 | 163.8 | -79.4 | -28.7 | 0 | 0 | 0 | 121.3 | ||||
| 1435 | D | 35.9 | Very low | 34.2 | Very low | 145 Ų | 145 | 132.6 Ų | 132.6 | 78% | 0.775 | 74% | 0.742 | S | S | * | * | -159.4 | 154.8 | 53.2 | -125.6 | -34.3 | 0 | 0 | 0 | 110.5 | |||||
| 1436 | G | 36.2 | Very low | 34 | Very low | 67 Ų | 67 | 131.5 Ų | 131.5 | 69% | 0.691 | 74% | 0.736 | S | S | * | * | trans | -120.9 | -153.7 | -167.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1437 | D | 34.4 | Very low | 34.4 | Very low | 172 Ų | 172 | 132.7 Ų | 132.7 | 92% | 0.92 | 74% | 0.743 | S | S | * | * | trans | 73.2 | 138.2 | -177.9 | -158.4 | 44.8 | 0 | 0 | 0 | 116 | ||||
| 1438 | G | 34.1 | Very low | 34.5 | Very low | 55 Ų | 55 | 132.3 Ų | 132.3 | 57% | 0.567 | 74% | 0.741 | S | S | * | * | cis | -168.7 | 136.3 | -6.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1439 | S | 34.6 | Very low | 34.5 | Very low | 100 Ų | 100 | 131.3 Ų | 131.3 | 70% | 0.699 | 74% | 0.744 | S | S | * | * | 98.3 | 127.3 | 82.7 | 75.1 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 1440 | L | 32.2 | Very low | 34.5 | Very low | 164 Ų | 164 | 127.7 Ų | 127.7 | 86% | 0.859 | 74% | 0.742 | S | S | * | * | trans | 69.7 | 157.2 | 160.2 | -55.5 | 167.3 | 0 | 0 | 0 | 118.7 | ||||
| 1441 | S | 32.6 | Very low | 34.5 | Very low | 74 Ų | 74 | 127.1 Ų | 127.1 | 52% | 0.517 | 74% | 0.738 | S | S | . | * | cis | -173 | 162.9 | -35.2 | 60.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1442 | D | 33.2 | Very low | 34.2 | Very low | 135 Ų | 135 | 126.8 Ų | 126.8 | 72% | 0.722 | 74% | 0.736 | S | S | * | * | trans | 63.7 | 158.9 | 154.8 | -41.2 | -34.5 | 0 | 0 | 0 | 117.8 | ||||
| 1443 | D | 34.2 | Very low | 33.9 | Very low | 137 Ų | 137 | 126.7 Ų | 126.7 | 73% | 0.733 | 74% | 0.736 | S | S | * | * | cis | -161.2 | 178.3 | -9.7 | -123.7 | -22.8 | 0 | 0 | 0 | 111.5 | ||||
| 1444 | D | 35 | Very low | 33.3 | Very low | 125 Ų | 125 | 124.2 Ų | 124.2 | 67% | 0.668 | 73% | 0.729 | S | S | * | * | trans | 72.3 | 108.2 | 150.3 | -73.8 | -17 | 0 | 0 | 0 | 125.4 | ||||
| 1445 | N | 31 | Very low | 33 | Very low | 128 Ų | 128 | 124.5 Ų | 124.5 | 68% | 0.684 | 74% | 0.736 | S | S | * | * | 61.5 | 128.8 | 115.9 | -50.1 | -32.8 | 0 | 0 | 0 | 126.4 | |||||
| 1446 | D | 31.8 | Very low | 32.7 | Very low | 144 Ų | 144 | 126.1 Ų | 126.1 | 77% | 0.77 | 74% | 0.739 | S | S | * | * | trans | 32.5 | 137.5 | 130.2 | -57.4 | -12.8 | 0 | 0 | 0 | 124.1 | ||||
| 1447 | T | 34.8 | Very low | 32.4 | Very low | 154 Ų | 154 | 128.2 Ų | 128.2 | 95% | 0.945 | 74% | 0.743 | S | S | * | * | -176.6 | 172.3 | 116.1 | 23.2 | 0 | 0 | 0 | 0 | 115 | |||||
| 1448 | D | 31.5 | Very low | 32.1 | Very low | 149 Ų | 149 | 127 Ų | 127 | 80% | 0.797 | 74% | 0.736 | S | S | * | * | trans | -115.5 | 130.4 | -154.2 | -113.4 | -37 | 0 | 0 | 0 | 117.2 | ||||
| 1449 | S | 32.6 | Very low | 31.9 | Very low | 97 Ų | 97 | 128.8 Ų | 128.8 | 68% | 0.678 | 74% | 0.74 | S | S | * | * | 72.5 | 157.2 | 126.6 | 80 | 0 | 0 | 0 | 0 | 126.8 | |||||
| 1450 | V | 34.1 | Very low | 31.7 | Very low | 122 Ų | 122 | 133.4 Ų | 133.4 | 74% | 0.739 | 75% | 0.748 | S | S | * | * | trans | 83.9 | 144.8 | 154 | -130.5 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 1451 | L | 32.2 | Very low | 31.5 | Very low | 141 Ų | 141 | 130.1 Ų | 130.1 | 74% | 0.738 | 74% | 0.739 | S | S | * | * | trans | 83.3 | 139.4 | 163.7 | -49.4 | 178.2 | 0 | 0 | 0 | 117.1 | ||||
| 1452 | D | 31.4 | Very low | 31.4 | Very low | 136 Ų | 136 | 133.3 Ų | 133.3 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | cis | -166.5 | 162.7 | -7.5 | -98.5 | -16 | 0 | 0 | 0 | 107.9 | ||||
| 1453 | D | 31.7 | Very low | 31.2 | Very low | 142 Ų | 142 | 132.1 Ų | 132.1 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | cis | -157.6 | -100.9 | -18 | 170.5 | 56.6 | 0 | 0 | 0 | 110.1 | ||||
| 1454 | S | 27 | Very low | 31.4 | Very low | 82 Ų | 82 | 130.2 Ų | 130.2 | 57% | 0.573 | 75% | 0.748 | S | S | * | * | trans | -147.1 | 156.7 | -163.8 | 69.4 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1455 | T | 31.8 | Very low | 30.9 | Very low | 145 Ų | 145 | 133.1 Ų | 133.1 | 89% | 0.89 | 76% | 0.755 | S | S | * | * | trans | 172 | 175.1 | 138.1 | 30.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1456 | E | 29.4 | Very low | 30.8 | Very low | 180 Ų | 180 | 132.3 Ų | 132.3 | 84% | 0.841 | 75% | 0.754 | S | S | * | * | trans | -114.3 | 160.1 | -155.6 | -53.4 | 162.5 | 120.8 | 0 | 0 | 115.3 | ||||
| 1457 | S | 30.2 | Very low | 30.5 | Very low | 111 Ų | 111 | 129.8 Ų | 129.8 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | 148.7 | 129.3 | 117.6 | 59.2 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 1458 | D | 27.9 | Very low | 30.2 | Very low | 146 Ų | 146 | 129.5 Ų | 129.5 | 78% | 0.781 | 74% | 0.74 | S | S | * | * | trans | 60 | 86.4 | 135.9 | -62 | -4.4 | 0 | 0 | 0 | 126.1 | ||||
| 1459 | S | 31.6 | Very low | 29.9 | Very low | 92 Ų | 92 | 130.8 Ų | 130.8 | 64% | 0.643 | 75% | 0.745 | S | S | * | * | 93 | 143.6 | 101.5 | 82.7 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 1460 | F | 29.4 | Very low | 29.8 | Very low | 197 Ų | 197 | 130.9 Ų | 130.9 | 86% | 0.864 | 75% | 0.746 | S | S | * | * | trans | 56.8 | 135.3 | 163.7 | -63.7 | -73.3 | 0 | 0 | 0 | 119.3 | ||||
| 1461 | S | 28.7 | Very low | 29.6 | Very low | 96 Ų | 96 | 133.7 Ų | 133.7 | 67% | 0.671 | 75% | 0.748 | S | S | * | * | cis | -149.6 | 159.5 | 37.1 | 55.9 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1462 | D | 30.1 | Very low | 29.4 | Very low | 141 Ų | 141 | 134.2 Ų | 134.2 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | trans | 64.2 | 79 | 145.9 | -57.1 | -14.8 | 0 | 0 | 0 | 123.3 | ||||
| 1463 | S | 27.8 | Very low | 29.2 | Very low | 109 Ų | 109 | 134.7 Ų | 134.7 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | 58.3 | 153.8 | 95.4 | -149.2 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 1464 | P | 38.7 | Very low | 29.2 | Very low | 98 Ų | 98 | 132.6 Ų | 132.6 | 64% | 0.636 | 74% | 0.739 | S | S | * | * | -148.1 | 169.9 | -50.6 | 45.7 | -30.3 | 0 | 0 | 0 | 117.2 | |||||
| 1465 | F | 26.1 | Very low | 29.4 | Very low | 186 Ų | 186 | 130.2 Ų | 130.2 | 82% | 0.816 | 72% | 0.718 | S | S | * | * | trans | 67.1 | 153.8 | 130.7 | -87.1 | -135.3 | 0 | 0 | 0 | 123.9 | ||||
| 1466 | V | 27.1 | Very low | 29.4 | Very low | 110 Ų | 110 | 128.8 Ų | 128.8 | 67% | 0.667 | 70% | 0.701 | S | S | * | * | cis | -169.8 | 175 | -29.9 | 105.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1467 | S | 26.5 | Very low | 29.7 | Very low | 92 Ų | 92 | 126.3 Ų | 126.3 | 64% | 0.643 | 69% | 0.688 | S | S | * | * | trans | -78.6 | 165.9 | -177.3 | 57 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1468 | N | 28.3 | Very low | 29.6 | Very low | 148 Ų | 148 | 126.5 Ų | 126.5 | 79% | 0.791 | 68% | 0.678 | S | S | * | * | trans | 26.2 | 143 | 143.9 | -76.1 | -19.4 | 0 | 0 | 0 | 122.6 | ||||
| 1469 | I | 26.2 | Very low | 29.7 | Very low | 175 Ų | 175 | 126.4 Ų | 126.4 | 90% | 0.897 | 68% | 0.678 | S | S | * | * | -172.2 | 163 | 125 | -101.1 | 157.7 | 0 | 0 | 0 | 111.2 | |||||
| 1470 | S | 29.2 | Very low | 29.6 | Very low | 99 Ų | 99 | 125.9 Ų | 125.9 | 69% | 0.692 | 69% | 0.687 | S | S | * | * | trans | -130.9 | 154.2 | 178.6 | -167.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1471 | K | 31 | Very low | 29.5 | Very low | 182 Ų | 182 | 119.8 Ų | 119.8 | 79% | 0.791 | 68% | 0.679 | S | S | * | * | trans | 73.4 | 126.4 | 170.2 | -61.5 | 175.6 | -179.2 | 173.2 | 0 | 119.7 | ||||
| 1472 | N | 27.5 | Very low | 29.5 | Very low | 151 Ų | 151 | 122.4 Ų | 122.4 | 81% | 0.807 | 69% | 0.686 | S | S | * | * | trans | 57.1 | 133.7 | 155.7 | -57.6 | -18.3 | 0 | 0 | 0 | 118.2 | ||||
| 1473 | L | 27 | Very low | 29.5 | Very low | 146 Ų | 146 | 121.5 Ų | 121.5 | 76% | 0.764 | 68% | 0.681 | S | S | * | * | cis | -152.5 | 177 | 44.9 | -131.1 | 121.5 | 0 | 0 | 0 | 113.4 | ||||
| 1474 | H | 30.9 | Very low | 29.5 | Very low | 98 Ų | 98 | 122.4 Ų | 122.4 | 45% | 0.454 | 68% | 0.677 | S | S | . | * | trans | -81.5 | 153.6 | -176.7 | -127.3 | 83.7 | 0 | 0 | 0 | 114.4 | Q468 | Q468-H1474 VanDerWaalsContact CD-CD2 3.43Å; Q468-H1474 PolarHBondContact NE2-CD2 3.21Å; Q468-H1474 PolarHBondContact NE2-NE2 3.47Å; Q468-H1474 PolarHBondContact OE1-CD2 2.99Å | ||
| 1475 | K | 31.1 | Very low | 29.3 | Very low | 33 Ų | 33 | 125.8 Ų | 125.8 | 14% | 0.143 | 68% | 0.684 | C | S | . | * | trans | 160 | 88.5 | 137 | -86 | 153.7 | -121.2 | -142.4 | 0 | 114.5 | L467 E1394 S1395 F1396 | L467-K1475 HydrophobicContact CD1-CB 3.95Å; L467-K1475 HydrophobicContact CD1-CG 4.03Å; E1394-K1475 HydrophobicContact CB-CD 4.36Å; E1394-K1475 HydrophobicContact CG-CD 3.71Å; E1394-K1475 HydrophobicContact CG-CG 4.18Å; E1394-K1475 WeakPolarHBondContact OE1-CD 3.2Å; E1394-K1475 WeakPolarHBondContact OE1-CG 3.2Å; E1394-K1475 WeakPolarHBondContact OE2-CE 3.48Å; E1394-K1475 IonicContact OE2-NZ 2.62Å; E1394-K1475 PolarHBondContact OE2-NZ 3.12Å; S1395-K1475 VanDerWaalsContact O-CB 3.3Å; S1395-K1475 WeakPolarHBondContact O-CB 3.42Å; S1395-K1475 WeakPolarHBondContact O-CD 3.28Å; S1395-K1475 WeakPolarHBondContact O-CG 3.46Å; F1396-K1475 HydrophobicContact CB-CB 4.13Å; F1396-K1475 HydrophobicContact CD1-CB 3.53Å; F1396-K1475 HydrophobicContact CD1-CD 4.34Å; F1396-K1475 HydrophobicContact CD2-CB 4.15Å; F1396-K1475 WeakPolarHBondContact CD2-O 3.35Å; F1396-K1475 HydrophobicContact CE1-CB 3.84Å; F1396-K1475 HydrophobicContact CE2-CB 4.42Å; F1396-K1475 WeakPolarHBondContact CE2-O 3.29Å; F1396-K1475 HydrophobicContact CG-CB 3.69Å; F1396-K1475 WeakPolarHBondContact CG-O 3.43Å; F1396-K1475 HydrophobicContact CZ-CB 4.26Å | ||
| 1476 | Q | 32.1 | Very low | 29.6 | Very low | 114 Ų | 114 | 123.7 Ų | 123.7 | 53% | 0.533 | 68% | 0.681 | S | S | . | * | trans | -65 | 163.6 | -178.9 | -75.4 | -174.6 | -16.7 | 0 | 0 | 117.1 | L467 | L467-Q1476 WeakPolarHBondContact CD1-O 3.33Š| ||
| 1477 | K | 35.5 | Very low | 29.5 | Very low | 129 Ų | 129 | 126.2 Ų | 126.2 | 56% | 0.561 | 69% | 0.686 | S | S | * | * | trans | 82.3 | 154.1 | 152.2 | -68.3 | 140.1 | 171.2 | 157.4 | 0 | 117.7 | Y466 | Y466-K1477 HydrophobicContact CE1-CB 3.98Å; Y466-K1477 HydrophobicContact CE1-CD 3.76Å; Y466-K1477 HydrophobicContact CE1-CG 4.49Å; Y466-K1477 HydrophobicContact CE2-CB 3.76Å; Y466-K1477 VanDerWaalsContact CZ-CB 3.45Å; Y466-K1477 WeakPolarHBondContact OH-CB 3.26Å | ||
| 1478 | M | 29.7 | Very low | 29.8 | Very low | 115 Ų | 115 | 126.8 Ų | 126.8 | 57% | 0.567 | 69% | 0.687 | S | S | * | * | cis | -124.4 | 158 | 7.5 | -102.7 | -48.5 | -177.6 | 0 | 0 | 114.8 | Y466 | Y466-M1478 HydrophobicContact CE2-CB 4.47Å; Y466-M1478 HydrophobicContact CE2-CG 3.95Å; Y466-M1478 WeakPolarHBondContact OH-CE 3.35Å; Y466-M1478 VanDerWaalsContact OH-CG 3.22Å; Y466-M1478 WeakPolarHBondContact OH-CG 3.49Å | ||
| 1479 | N | 30 | Very low | 29.6 | Very low | 144 Ų | 144 | 125.7 Ų | 125.7 | 77% | 0.77 | 68% | 0.681 | S | S | * | * | trans | 2 | 145.1 | 149.2 | -51.9 | -11.5 | 0 | 0 | 0 | 119.6 | ||||
| 1480 | G | 27.9 | Very low | 29.8 | Very low | 81 Ų | 81 | 124.2 Ų | 124.2 | 84% | 0.835 | 67% | 0.67 | S | S | * | * | cis | 133.3 | 145.2 | 1.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1481 | G | 27.8 | Very low | 29.9 | Very low | 69 Ų | 69 | 124.5 Ų | 124.5 | 71% | 0.711 | 66% | 0.664 | S | S | * | * | trans | 163 | 105.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1482 | N | 29.3 | Very low | 29.9 | Very low | 151 Ų | 151 | 121.5 Ų | 121.5 | 81% | 0.807 | 66% | 0.656 | S | S | * | * | 23.8 | 133.6 | 126.7 | -68.6 | 30.6 | 0 | 0 | 0 | 118.2 | |||||
| 1483 | N | 30.2 | Very low | 30.1 | Very low | 122 Ų | 122 | 118.4 Ų | 118.4 | 65% | 0.652 | 65% | 0.646 | S | S | * | * | cis | -166.7 | 155.3 | 38.2 | -107.1 | -16.4 | 0 | 0 | 0 | 113.4 | ||||
| 1484 | N | 27.7 | Very low | 30.2 | Very low | 127 Ų | 127 | 118.7 Ų | 118.7 | 68% | 0.679 | 65% | 0.647 | S | S | * | * | trans | 41.5 | 127.5 | 141.4 | -53.5 | -12.9 | 0 | 0 | 0 | 122 | ||||
| 1485 | H | 34.5 | Very low | 30.2 | Very low | 170 Ų | 170 | 120.8 Ų | 120.8 | 79% | 0.787 | 66% | 0.66 | S | S | * | * | -158.4 | 128.3 | 109 | -100.7 | -56.4 | 0 | 0 | 0 | 114.1 | |||||
| 1486 | N | 32.6 | Very low | 29.8 | Very low | 141 Ų | 141 | 128.6 Ų | 128.6 | 75% | 0.754 | 69% | 0.694 | S | S | * | * | trans | 52.6 | 104.4 | 141.1 | -56 | 10.8 | 0 | 0 | 0 | 121.5 | ||||
| 1487 | E | 23.6 | Very low | 29.7 | Very low | 163 Ų | 163 | 128.9 Ų | 128.9 | 76% | 0.762 | 71% | 0.706 | S | S | * | * | trans | -54.1 | 163.5 | 135 | -123.8 | -173.9 | -131.1 | 0 | 0 | 111.4 | ||||
| 1488 | P | 32.6 | Very low | 29.3 | Very low | 104 Ų | 104 | 128.9 Ų | 128.9 | 68% | 0.675 | 72% | 0.717 | S | S | * | * | -153.8 | 152.8 | 64.7 | 36.7 | -14.9 | 0 | 0 | 0 | 119.3 | |||||
| 1489 | L | 25.5 | Very low | 29.2 | Very low | 125 Ų | 125 | 130.8 Ų | 130.8 | 65% | 0.654 | 73% | 0.728 | S | S | * | * | trans | 54.5 | 155.4 | 135.8 | -53.2 | 171.1 | 0 | 0 | 0 | 119.7 | ||||
| 1490 | H | 30.6 | Very low | 29.1 | Very low | 145 Ų | 145 | 131.2 Ų | 131.2 | 67% | 0.671 | 73% | 0.73 | S | S | * | * | cis | -168.5 | 169.9 | -0.4 | -118.8 | -10.8 | 0 | 0 | 0 | 105.5 | ||||
| 1491 | N | 30.6 | Very low | 29.2 | Very low | 104 Ų | 104 | 136.4 Ų | 136.4 | 56% | 0.556 | 73% | 0.73 | S | S | * | * | cis | -162.6 | 179.4 | -7.5 | -126.1 | -9.7 | 0 | 0 | 0 | 106.2 | ||||
| 1492 | N | 31.2 | Very low | 29.3 | Very low | 119 Ų | 119 | 140.5 Ų | 140.5 | 64% | 0.636 | 74% | 0.735 | S | S | * | * | cis | -143.2 | 130 | 1 | -108.3 | -44.1 | 0 | 0 | 0 | 104.9 | ||||
| 1493 | S | 30.4 | Very low | 29.4 | Very low | 86 Ų | 86 | 139 Ų | 139 | 60% | 0.601 | 73% | 0.733 | S | S | * | * | 65.3 | 136.8 | 79 | 93.6 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 1494 | I | 30.6 | Very low | 29.3 | Very low | 152 Ų | 152 | 140.6 Ų | 140.6 | 78% | 0.779 | 74% | 0.741 | S | S | * | * | -130.7 | 120.9 | 60 | -75.1 | 171.5 | 0 | 0 | 0 | 114.3 | |||||
| 1495 | I | 30.6 | Very low | 29.6 | Very low | 142 Ų | 142 | 138 Ų | 138 | 73% | 0.728 | 75% | 0.745 | S | S | * | * | trans | 48.5 | 109.8 | 140.2 | -49.7 | 175.4 | 0 | 0 | 0 | 120.3 | ||||
| 1496 | K | 21.8 | Very low | 29.9 | Very low | 198 Ų | 198 | 136.2 Ų | 136.2 | 86% | 0.861 | 74% | 0.741 | S | S | * | * | trans | -111.4 | 139.4 | 136.2 | -74.4 | -176.5 | 176.7 | -178.7 | 0 | 108.9 | ||||
| 1497 | P | 30.8 | Very low | 31.6 | Very low | 120 Ų | 120 | 133.2 Ų | 133.2 | 78% | 0.779 | 73% | 0.728 | S | S | * | * | trans | -92.2 | 137.6 | 165.4 | 34.1 | -29.6 | 0 | 0 | 0 | 111.6 | ||||
| 1498 | T | 26.2 | Very low | 33.9 | Very low | 128 Ų | 128 | 133.1 Ų | 133.1 | 79% | 0.785 | 73% | 0.727 | S | S | * | * | trans | -135.5 | 175.1 | 170.1 | -40.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 1499 | I | 28.7 | Very low | 35.5 | Very low | 156 Ų | 156 | 133.8 Ų | 133.8 | 80% | 0.8 | 72% | 0.72 | S | S | * | * | trans | 85.1 | 132.3 | -171.9 | -52.2 | 163.1 | 0 | 0 | 0 | 109.8 | ||||
| 1500 | N | 28.6 | Very low | 37.5 | Very low | 152 Ų | 152 | 132.4 Ų | 132.4 | 81% | 0.813 | 71% | 0.712 | S | S | * | * | cis | -129.4 | 165 | 21.6 | -145.7 | -13.5 | 0 | 0 | 0 | 114.6 | ||||
| 1501 | K | 29.7 | Very low | 39.6 | Very low | 191 Ų | 191 | 135.4 Ų | 135.4 | 83% | 0.83 | 72% | 0.718 | S | S | * | * | trans | -92.4 | 137.2 | 169.8 | -69.5 | -175.7 | 177.2 | -177.1 | 0 | 110.4 | ||||
| 1502 | N | 28.6 | Very low | 42.2 | Very low | 154 Ų | 154 | 132.3 Ų | 132.3 | 82% | 0.824 | 70% | 0.701 | S | S | * | * | trans | -140.2 | 157.9 | 162.4 | -110.6 | -18.1 | 0 | 0 | 0 | 109.9 | L1504 | N1502-L1504 PolarHBondContact O-N 2.99Š| ||
| 1503 | P | 31.4 | Very low | 44.6 | Very low | 119 Ų | 119 | 130.8 Ų | 130.8 | 77% | 0.773 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -95.1 | 81.5 | -163.4 | 36.5 | -35.4 | 0 | 0 | 0 | 113.9 | ||
| 1504 | L | 29.7 | Very low | 47.1 | Very low | 157 Ų | 157 | 132.1 Ų | 132.1 | 82% | 0.822 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -147.6 | 162.6 | 146 | -135.1 | 70.8 | 0 | 0 | 0 | 108.8 | N1502 D1506 | N1502-L1504 PolarHBondContact O-N 2.99Å; L1504-D1506 VanDerWaalsContact C-N 3.32Å; L1504-D1506 PolarHBondContact O-N 3.46Å |
| 1505 | G | 33.9 | Very low | 50 | Low | 72 Ų | 72 | 126.1 Ų | 126.1 | 74% | 0.742 | 66% | 0.656 | S | S | * | * | trans | -80.4 | 67.3 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | T1507 | G1505-T1507 PolarHBondContact O-N 2.85Š| ||
| 1506 | D | 40.7 | Very low | 52.9 | Low | 132 Ų | 132 | 123.5 Ų | 123.5 | 71% | 0.706 | 64% | 0.637 | S | S | * | * | trans | -64.1 | 98.9 | 171.3 | -69.7 | -19.2 | 0 | 0 | 0 | 109.7 | L1504 | L1504-D1506 VanDerWaalsContact C-N 3.32Å; L1504-D1506 PolarHBondContact O-N 3.46Å | ||
| 1507 | T | 67 | Low | 55.9 | Low | 79 Ų | 79 | 116.5 Ų | 116.5 | 49% | 0.485 | 62% | 0.616 | S | S | . | * | trans | -68.2 | 150.9 | 175.4 | 57.6 | 0 | 0 | 0 | 0 | 110.3 | G1505 F1509 L1510 R1511 | G1505-T1507 PolarHBondContact O-N 2.85Å; T1507-F1509 PolarHBondContact O-N 3.48Å; T1507-L1510 PolarHBondContact O-N 3.27Å; T1507-L1510 PolarHBondContact OG1-N 3.33Å; T1507-R1511 PolarHBondContact O-N 3.46Å | ||
| 1508 | Q | 72 | Confident | 58.8 | Low | 160 Ų | 160 | 113.3 Ų | 113.3 | 75% | 0.748 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -54.1 | -38 | 172.5 | -78.4 | 168.2 | -83.4 | 0 | 0 | 111.1 | L1510 R1511 L1512 | Q1508-L1510 PolarHBondContact O-N 3.02Å; Q1508-R1511 WeakPolarHBondContact O-CB 3.28Å; Q1508-R1511 PolarHBondContact O-N 3.22Å; Q1508-R1511 VanDerWaalsContact O-N 3.15Å; Q1508-L1512 WeakPolarHBondContact O-CG 3.39Å; Q1508-L1512 PolarHBondContact O-N 3.36Å |
| 1509 | F | 67.9 | Low | 62.1 | Low | 118 Ų | 118 | 107.2 Ų | 107.2 | 52% | 0.518 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -53.4 | -49.9 | 172.6 | -173.7 | -90.4 | 0 | 0 | 0 | 113.3 | T1507 R1511 L1512 E1513 | T1507-F1509 PolarHBondContact O-N 3.48Å; F1509-R1511 PolarHBondContact O-N 3.12Å; F1509-L1512 PolarHBondContact O-N 2.91Å; F1509-E1513 PolarHBondContact O-N 3.19Å |
| 1510 | L | 66.5 | Low | 65.1 | Low | 96 Ų | 96 | 102.3 Ų | 102.3 | 50% | 0.503 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62 | -35.1 | 179 | -170.8 | 67.6 | 0 | 0 | 0 | 111.7 | T1507 Q1508 Q1514 | T1507-L1510 PolarHBondContact O-N 3.27Å; T1507-L1510 PolarHBondContact OG1-N 3.33Å; Q1508-L1510 PolarHBondContact O-N 3.02Å; L1510-Q1514 VanDerWaalsContact O-CB 3.28Å; L1510-Q1514 WeakPolarHBondContact O-CB 3.43Å; L1510-Q1514 PolarHBondContact O-N 3.3Å |
| 1511 | R | 74.8 | Confident | 68 | Low | 209 Ų | 209 | 103.4 Ų | 103.4 | 79% | 0.789 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -73.2 | -32.5 | 177.4 | -166 | 174.3 | -176.2 | 178.3 | 0.3 | 113.1 | T1507 Q1508 F1509 M1515 | T1507-R1511 PolarHBondContact O-N 3.46Å; Q1508-R1511 WeakPolarHBondContact O-CB 3.28Å; Q1508-R1511 PolarHBondContact O-N 3.22Å; Q1508-R1511 VanDerWaalsContact O-N 3.15Å; F1509-R1511 PolarHBondContact O-N 3.12Å; R1511-M1515 WeakPolarHBondContact O-CB 3.25Å; R1511-M1515 PolarHBondContact O-N 3.04Å |
| 1512 | L | 85.1 | Confident | 71.1 | Confident | 39 Ų | 39 | 98.8 Ų | 98.8 | 20% | 0.204 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -71.4 | -46.6 | 173.4 | -71 | 164 | 0 | 0 | 0 | 111.2 | Q1508 F1509 Q1514 M1515 R1516 L1572 A1575 | Q1508-L1512 WeakPolarHBondContact O-CG 3.39Å; Q1508-L1512 PolarHBondContact O-N 3.36Å; F1509-L1512 PolarHBondContact O-N 2.91Å; L1512-Q1514 VanDerWaalsContact C-N 3.32Å; L1512-Q1514 PolarHBondContact O-N 3.08Å; L1512-M1515 HydrophobicContact CD2-CE 4.1Å; L1512-M1515 PolarHBondContact O-N 3.06Å; L1512-M1515 VanDerWaalsContact O-N 3.15Å; L1512-R1516 PolarHBondContact O-N 2.88Å; L1512-L1572 HydrophobicContact CB-CD2 4.43Å; L1512-L1572 HydrophobicContact CD2-CD2 4.18Å; L1512-A1575 HydrophobicContact CD1-CB 3.65Å; L1512-A1575 HydrophobicContact CD2-CB 3.7Å; L1512-A1575 HydrophobicContact CG-CB 4.34Å |
| 1513 | E | 82.6 | Confident | 74 | Confident | 86 Ų | 86 | 92.2 Ų | 92.2 | 40% | 0.402 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.9 | -36.7 | 177.4 | -167.3 | 66.8 | -162.7 | 0 | 0 | 111.3 | F1509 R1516 A1517 | F1509-E1513 PolarHBondContact O-N 3.19Å; E1513-R1516 VanDerWaalsContact CD-NH1 3.32Å; E1513-R1516 PolarHBondContact O-N 3.11Å; E1513-R1516 IonicContact OE1-CZ 3.7Å; E1513-R1516 IonicContact OE1-NH1 2.69Å; E1513-R1516 PolarHBondContact OE1-NH1 3.05Å; E1513-R1516 IonicContact OE2-NH1 2.7Å; E1513-R1516 PolarHBondContact OE2-NH1 2.89Å; E1513-A1517 WeakPolarHBondContact O-CB 3.28Å; E1513-A1517 PolarHBondContact O-N 3.32Å |
| 1514 | Q | 82.6 | Confident | 76.6 | Confident | 114 Ų | 114 | 88 Ų | 88 | 53% | 0.533 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60.7 | -50 | 169.4 | -175.7 | 67.8 | 61.1 | 0 | 0 | 111.3 | L1510 L1512 R1516 A1517 D1518 | L1510-Q1514 VanDerWaalsContact O-CB 3.28Å; L1510-Q1514 WeakPolarHBondContact O-CB 3.43Å; L1510-Q1514 PolarHBondContact O-N 3.3Å; L1512-Q1514 VanDerWaalsContact C-N 3.32Å; L1512-Q1514 PolarHBondContact O-N 3.08Å; Q1514-R1516 VanDerWaalsContact C-N 3.25Å; Q1514-R1516 PolarHBondContact O-N 3.05Å; Q1514-A1517 PolarHBondContact O-N 2.92Å; Q1514-A1517 VanDerWaalsContact O-N 3.11Å; Q1514-D1518 PolarHBondContact NE2-OD1 3.08Å; Q1514-D1518 PolarHBondContact O-N 3.45Å; Q1514-D1518 VanDerWaalsContact O-OD1 3.12Å |
| 1515 | M | 91.2 | Very high | 79.3 | Confident | 26 Ų | 26 | 85.8 Ų | 85.8 | 13% | 0.128 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -61.2 | -34.4 | 178.2 | -179.3 | 165 | 69.3 | 0 | 0 | 112.6 | R1511 L1512 L1519 R1568 Q1571 L1572 | R1511-M1515 WeakPolarHBondContact O-CB 3.25Å; R1511-M1515 PolarHBondContact O-N 3.04Å; L1512-M1515 HydrophobicContact CD2-CE 4.1Å; L1512-M1515 PolarHBondContact O-N 3.06Å; L1512-M1515 VanDerWaalsContact O-N 3.15Å; M1515-L1519 HydrophobicContact CG-CD1 4.25Å; M1515-L1519 WeakPolarHBondContact O-CB 3.25Å; M1515-L1519 VanDerWaalsContact O-CG 3.25Å; M1515-L1519 WeakPolarHBondContact O-CG 3.41Å; M1515-L1519 PolarHBondContact O-N 3.27Å; M1515-L1519 VanDerWaalsContact O-N 3.08Å; M1515-R1568 HydrophobicContact CG-CB 4.42Å; M1515-R1568 HydrophobicContact SD-CB 3.92Å; M1515-R1568 HydrophobicContact SD-CG 4.05Å; M1515-Q1571 HydrophobicContact CE-CB 3.68Å; M1515-L1572 HydrophobicContact CE-CD2 3.97Å; M1515-L1572 HydrophobicContact CE-CG 4.14Å |
| 1516 | R | 91.3 | Very high | 81.6 | Confident | 88 Ų | 88 | 89 Ų | 89 | 33% | 0.332 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -67.7 | -43.5 | 173.2 | -177.8 | 178.1 | 147.3 | -109.9 | -26.3 | 111.6 | L1512 E1513 Q1514 L1519 E1520 L1572 | L1512-R1516 PolarHBondContact O-N 2.88Å; E1513-R1516 VanDerWaalsContact CD-NH1 3.32Å; E1513-R1516 PolarHBondContact O-N 3.11Å; E1513-R1516 IonicContact OE1-CZ 3.7Å; E1513-R1516 IonicContact OE1-NH1 2.69Å; E1513-R1516 PolarHBondContact OE1-NH1 3.05Å; E1513-R1516 IonicContact OE2-NH1 2.7Å; E1513-R1516 PolarHBondContact OE2-NH1 2.89Å; Q1514-R1516 VanDerWaalsContact C-N 3.25Å; Q1514-R1516 PolarHBondContact O-N 3.05Å; R1516-L1519 PolarHBondContact O-N 3.34Å; R1516-E1520 IonicContact CZ-OE1 3.76Å; R1516-E1520 VanDerWaalsContact CZ-OE1 3.28Å; R1516-E1520 IonicContact NE-OE1 2.64Å; R1516-E1520 PolarHBondContact NE-OE1 2.86Å; R1516-E1520 IonicContact NH2-OE1 3.29Å; R1516-E1520 PolarHBondContact NH2-OE1 3.29Å; R1516-E1520 IonicContact NH2-OE2 3Å; R1516-E1520 WeakPolarHBondContact O-CG 3.1Å; R1516-E1520 PolarHBondContact O-N 3.42Å; R1516-L1572 HydrophobicContact CB-CD1 3.94Å; R1516-L1572 HydrophobicContact CB-CD2 4.15Å; R1516-L1572 HydrophobicContact CG-CD1 4.2Å |
| 1517 | A | 84.8 | Confident | 84 | Confident | 50 Ų | 50 | 85 Ų | 85 | 41% | 0.413 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.9 | -46 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | E1513 Q1514 L1519 E1520 E1521 | E1513-A1517 WeakPolarHBondContact O-CB 3.28Å; E1513-A1517 PolarHBondContact O-N 3.32Å; Q1514-A1517 PolarHBondContact O-N 2.92Å; Q1514-A1517 VanDerWaalsContact O-N 3.11Å; A1517-L1519 VanDerWaalsContact C-N 3.32Å; A1517-L1519 PolarHBondContact O-N 3.21Å; A1517-E1520 PolarHBondContact O-N 3.32Å; A1517-E1521 PolarHBondContact O-N 3.11Å; A1517-E1521 VanDerWaalsContact O-N 3.08Å |
| 1518 | D | 91.4 | Very high | 85.3 | Confident | 54 Ų | 54 | 81.4 Ų | 81.4 | 29% | 0.289 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -56.1 | -46.6 | 174.7 | -57.7 | -14.7 | 0 | 0 | 0 | 110.9 | Q1514 E1521 E1522 R1568 | Q1514-D1518 PolarHBondContact NE2-OD1 3.08Å; Q1514-D1518 PolarHBondContact O-N 3.45Å; Q1514-D1518 VanDerWaalsContact O-OD1 3.12Å; D1518-E1521 PolarHBondContact O-N 2.93Å; D1518-E1522 WeakPolarHBondContact O-CB 3.46Å; D1518-E1522 WeakPolarHBondContact O-CG 3.43Å; D1518-E1522 PolarHBondContact O-N 2.96Å; D1518-R1568 IonicContact OD2-NH2 2.7Å; D1518-R1568 PolarHBondContact OD2-NH2 3.21Å |
| 1519 | L | 95 | Very high | 86.1 | Confident | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.9 | -36 | 177.9 | -75 | 169.9 | 0 | 0 | 0 | 112.7 | M1515 R1516 A1517 E1521 E1522 L1523 L1528 Y1565 R1568 I1569 L1572 | M1515-L1519 HydrophobicContact CG-CD1 4.25Å; M1515-L1519 WeakPolarHBondContact O-CB 3.25Å; M1515-L1519 VanDerWaalsContact O-CG 3.25Å; M1515-L1519 WeakPolarHBondContact O-CG 3.41Å; M1515-L1519 PolarHBondContact O-N 3.27Å; M1515-L1519 VanDerWaalsContact O-N 3.08Å; R1516-L1519 PolarHBondContact O-N 3.34Å; A1517-L1519 VanDerWaalsContact C-N 3.32Å; A1517-L1519 PolarHBondContact O-N 3.21Å; L1519-E1521 VanDerWaalsContact C-N 3.27Å; L1519-E1521 PolarHBondContact O-N 2.89Å; L1519-E1522 PolarHBondContact O-N 3.43Å; L1519-L1523 HydrophobicContact CD2-CD1 3.94Å; L1519-L1523 WeakPolarHBondContact O-CB 3.2Å; L1519-L1523 PolarHBondContact O-N 3.15Å; L1519-L1528 HydrophobicContact CB-CD1 4.05Å; L1519-L1528 HydrophobicContact CB-CD2 3.92Å; L1519-L1528 HydrophobicContact CD1-CD1 4.16Å; L1519-Y1565 HydrophobicContact CD2-CD1 3.61Å; L1519-Y1565 HydrophobicContact CD2-CE1 4.42Å; L1519-Y1565 HydrophobicContact CD2-CG 4.28Å; L1519-R1568 HydrophobicContact CD1-CB 3.96Å; L1519-R1568 HydrophobicContact CD2-CB 4.13Å; L1519-R1568 HydrophobicContact CG-CB 4.44Å; L1519-I1569 HydrophobicContact CD1-CG1 4.07Å; L1519-I1569 HydrophobicContact CD2-CG1 4.42Å; L1519-L1572 HydrophobicContact CD1-CD1 3.79Å |
| 1520 | E | 91.9 | Very high | 87.1 | Confident | 53 Ų | 53 | 76 Ų | 76 | 25% | 0.248 | 37% | 0.365 | C | S | . | . | I | π-helix | trans | -64.8 | -31.4 | 174.8 | -77.2 | -174 | -162.9 | 0 | 0 | 112 | R1516 A1517 G1524 F1525 L1528 | R1516-E1520 IonicContact CZ-OE1 3.76Å; R1516-E1520 VanDerWaalsContact CZ-OE1 3.28Å; R1516-E1520 IonicContact NE-OE1 2.64Å; R1516-E1520 PolarHBondContact NE-OE1 2.86Å; R1516-E1520 IonicContact NH2-OE1 3.29Å; R1516-E1520 PolarHBondContact NH2-OE1 3.29Å; R1516-E1520 IonicContact NH2-OE2 3Å; R1516-E1520 WeakPolarHBondContact O-CG 3.1Å; R1516-E1520 PolarHBondContact O-N 3.42Å; A1517-E1520 PolarHBondContact O-N 3.32Å; E1520-G1524 VanDerWaalsContact O-CA 3.23Å; E1520-G1524 WeakPolarHBondContact O-CA 3.37Å; E1520-G1524 PolarHBondContact O-N 3.08Å; E1520-F1525 HydrophobicContact CG-CD2 4.25Å; E1520-L1528 HydrophobicContact CB-CD2 4.47Å; E1520-L1528 HydrophobicContact CG-CD2 3.49Å; E1520-L1528 VanDerWaalsContact CG-CD2 3.49Å |
| 1521 | E | 90.3 | Very high | 88.3 | Confident | 175 Ų | 175 | 71.4 Ų | 71.4 | 82% | 0.818 | 34% | 0.341 | S | S | * | . | I | π-helix | trans | -76.1 | -46.3 | 172.5 | -173.4 | 167.7 | -171.6 | 0 | 0 | 112.6 | A1517 D1518 L1519 | A1517-E1521 PolarHBondContact O-N 3.11Å; A1517-E1521 VanDerWaalsContact O-N 3.08Å; D1518-E1521 PolarHBondContact O-N 2.93Å; L1519-E1521 VanDerWaalsContact C-N 3.27Å; L1519-E1521 PolarHBondContact O-N 2.89Å |
| 1522 | E | 93.8 | Very high | 89.3 | Confident | 94 Ų | 94 | 62.9 Ų | 62.9 | 44% | 0.439 | 31% | 0.309 | S | S | . | . | I | π-helix | trans | -73.4 | -37.1 | -175.4 | -71.4 | 173.7 | 149.9 | 0 | 0 | 114.2 | D1518 L1519 Y1565 R1568 | D1518-E1522 WeakPolarHBondContact O-CB 3.46Å; D1518-E1522 WeakPolarHBondContact O-CG 3.43Å; D1518-E1522 PolarHBondContact O-N 2.96Å; L1519-E1522 PolarHBondContact O-N 3.43Å; E1522-Y1565 HydrophobicContact CB-CE1 3.91Å; E1522-Y1565 WeakPolarHBondContact OE2-CE1 3.49Å; E1522-R1568 IonicContact OE1-NH1 3.72Å; E1522-R1568 IonicContact OE2-CZ 2.77Å; E1522-R1568 IonicContact OE2-NH1 2.64Å; E1522-R1568 PolarHBondContact OE2-NH1 3.38Å; E1522-R1568 IonicContact OE2-NH2 2.69Å |
| 1523 | L | 90.8 | Very high | 89.4 | Confident | 15 Ų | 15 | 65.1 Ų | 65.1 | 8% | 0.079 | 32% | 0.322 | C | S | . | . | I | π-helix | trans | -98.6 | -29.1 | -179 | -77.7 | 161.2 | 0 | 0 | 0 | 113.8 | L1519 L1527 L1528 L1557 K1561 Y1565 I1569 | L1519-L1523 HydrophobicContact CD2-CD1 3.94Å; L1519-L1523 WeakPolarHBondContact O-CB 3.2Å; L1519-L1523 PolarHBondContact O-N 3.15Å; L1523-L1527 HydrophobicContact CB-CB 4.46Å; L1523-L1527 HydrophobicContact CD2-CD2 4.05Å; L1523-L1528 HydrophobicContact CB-CB 4.47Å; L1523-L1528 HydrophobicContact CD1-CB 4.48Å; L1523-L1528 HydrophobicContact CD1-CD1 4.17Å; L1523-L1557 HydrophobicContact CD2-CD2 3.73Å; L1523-K1561 HydrophobicContact CD2-CD 3.91Å; L1523-Y1565 HydrophobicContact CD1-CD1 4.27Å; L1523-Y1565 HydrophobicContact CD1-CD2 4.17Å; L1523-Y1565 HydrophobicContact CD1-CG 3.88Å; L1523-Y1565 HydrophobicContact CD2-CD2 3.58Å; L1523-Y1565 HydrophobicContact CD2-CE2 3.83Å; L1523-Y1565 HydrophobicContact CD2-CG 4.17Å; L1523-Y1565 HydrophobicContact CG-CD1 4.38Å; L1523-Y1565 HydrophobicContact CG-CD2 3.93Å; L1523-Y1565 HydrophobicContact CG-CE2 4.14Å; L1523-Y1565 HydrophobicContact CG-CG 4.08Å; L1523-I1569 HydrophobicContact CD1-CD1 3.88Å |
| 1524 | G | 84.8 | Confident | 89.7 | Confident | 32 Ų | 32 | 62.8 Ų | 62.8 | 33% | 0.33 | 31% | 0.313 | S | S | . | . | I | π-helix | trans | 77.8 | 132.6 | -161.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E1520 E1526 L1527 L1528 | E1520-G1524 VanDerWaalsContact O-CA 3.23Å; E1520-G1524 WeakPolarHBondContact O-CA 3.37Å; E1520-G1524 PolarHBondContact O-N 3.08Å; G1524-E1526 VanDerWaalsContact C-N 3.29Å; G1524-E1526 PolarHBondContact O-N 3.05Å; G1524-L1527 PolarHBondContact O-N 3.48Å; G1524-L1528 PolarHBondContact O-N 3.41Å |
| 1525 | F | 85.8 | Confident | 90 | Very high | 109 Ų | 109 | 57.5 Ų | 57.5 | 48% | 0.478 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -42.1 | -44.9 | -176 | -176.5 | -97.3 | 0 | 0 | 0 | 115.6 | E1520 L1527 L1528 I1529 | E1520-F1525 HydrophobicContact CG-CD2 4.25Å; F1525-L1527 VanDerWaalsContact C-N 3.32Å; F1525-L1527 PolarHBondContact O-N 3.24Å; F1525-L1528 PolarHBondContact O-N 2.91Å; F1525-I1529 HydrophobicContact CD1-CG1 4.3Å; F1525-I1529 HydrophobicContact CD2-CG1 4.23Å; F1525-I1529 HydrophobicContact CE1-CG1 3.96Å; F1525-I1529 HydrophobicContact CE2-CD1 4.11Å; F1525-I1529 HydrophobicContact CE2-CG1 3.87Å; F1525-I1529 HydrophobicContact CG-CG1 4.43Å; F1525-I1529 HydrophobicContact CZ-CD1 4.12Å; F1525-I1529 HydrophobicContact CZ-CG1 3.73Å; F1525-I1529 WeakPolarHBondContact O-CG1 3.34Å; F1525-I1529 PolarHBondContact O-N 3.21Å |
| 1526 | E | 84.1 | Confident | 89.9 | Confident | 140 Ų | 140 | 59.6 Ų | 59.6 | 65% | 0.654 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -64.4 | -30.7 | -179.9 | -95.4 | -155.4 | -144.5 | 0 | 0 | 114.5 | G1524 K1530 | G1524-E1526 VanDerWaalsContact C-N 3.29Å; G1524-E1526 PolarHBondContact O-N 3.05Å; E1526-K1530 VanDerWaalsContact O-CD 3.28Å; E1526-K1530 WeakPolarHBondContact O-CD 3.48Å; E1526-K1530 VanDerWaalsContact O-CG 3.25Å; E1526-K1530 WeakPolarHBondContact O-CG 3.35Å; E1526-K1530 IonicContact OE2-NZ 3.76Å; E1526-K1530 PolarHBondContact OE2-NZ 3.06Å |
| 1527 | L | 90.2 | Very high | 89.4 | Confident | 48 Ų | 48 | 57.6 Ų | 57.6 | 25% | 0.251 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -85.1 | -38.4 | -179.5 | -141.3 | 74.3 | 0 | 0 | 0 | 110.5 | L1523 G1524 F1525 K1530 A1531 L1557 K1561 | L1523-L1527 HydrophobicContact CB-CB 4.46Å; L1523-L1527 HydrophobicContact CD2-CD2 4.05Å; G1524-L1527 PolarHBondContact O-N 3.48Å; F1525-L1527 VanDerWaalsContact C-N 3.32Å; F1525-L1527 PolarHBondContact O-N 3.24Å; L1527-K1530 PolarHBondContact O-N 3.13Å; L1527-A1531 WeakPolarHBondContact O-CB 3.47Å; L1527-A1531 PolarHBondContact O-N 3.33Å; L1527-L1557 HydrophobicContact CD2-CD2 4.1Å; L1527-L1557 HydrophobicContact CG-CD2 4.16Å; L1527-K1561 HydrophobicContact CD2-CD 4.1Å |
| 1528 | L | 94.3 | Very high | 89.2 | Confident | 4 Ų | 4 | 56.7 Ų | 56.7 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.3 | -53.2 | 173.5 | 178.6 | 60.5 | 0 | 0 | 0 | 111.5 | L1519 E1520 L1523 G1524 F1525 K1530 A1531 Y1532 I1569 | L1519-L1528 HydrophobicContact CB-CD1 4.05Å; L1519-L1528 HydrophobicContact CB-CD2 3.92Å; L1519-L1528 HydrophobicContact CD1-CD1 4.16Å; E1520-L1528 HydrophobicContact CB-CD2 4.47Å; E1520-L1528 HydrophobicContact CG-CD2 3.49Å; E1520-L1528 VanDerWaalsContact CG-CD2 3.49Å; L1523-L1528 HydrophobicContact CB-CB 4.47Å; L1523-L1528 HydrophobicContact CD1-CB 4.48Å; L1523-L1528 HydrophobicContact CD1-CD1 4.17Å; G1524-L1528 PolarHBondContact O-N 3.41Å; F1525-L1528 PolarHBondContact O-N 2.91Å; L1528-K1530 VanDerWaalsContact C-N 3.3Å; L1528-K1530 PolarHBondContact O-N 3.02Å; L1528-A1531 PolarHBondContact O-N 3.01Å; L1528-Y1532 VanDerWaalsContact O-CB 3.27Å; L1528-Y1532 WeakPolarHBondContact O-CB 3.43Å; L1528-Y1532 PolarHBondContact O-N 3.41Å; L1528-I1569 HydrophobicContact CD1-CD1 4.08Å; L1528-I1569 HydrophobicContact CD1-CG1 3.73Å; L1528-I1569 HydrophobicContact CD1-CG2 4.34Å |
| 1529 | I | 89.6 | Confident | 88.5 | Confident | 63 Ų | 63 | 59.6 Ų | 59.6 | 32% | 0.323 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.8 | -37.1 | -178.6 | -67 | -67.5 | 0 | 0 | 0 | 111.8 | F1525 N1533 | F1525-I1529 HydrophobicContact CD1-CG1 4.3Å; F1525-I1529 HydrophobicContact CD2-CG1 4.23Å; F1525-I1529 HydrophobicContact CE1-CG1 3.96Å; F1525-I1529 HydrophobicContact CE2-CD1 4.11Å; F1525-I1529 HydrophobicContact CE2-CG1 3.87Å; F1525-I1529 HydrophobicContact CG-CG1 4.43Å; F1525-I1529 HydrophobicContact CZ-CD1 4.12Å; F1525-I1529 HydrophobicContact CZ-CG1 3.73Å; F1525-I1529 WeakPolarHBondContact O-CG1 3.34Å; F1525-I1529 PolarHBondContact O-N 3.21Å; I1529-N1533 WeakPolarHBondContact O-CB 3.15Å; I1529-N1533 PolarHBondContact O-N 3.04Å; I1529-N1533 PolarHBondContact O-OD1 3.19Å |
| 1530 | K | 88.8 | Confident | 87.4 | Confident | 100 Ų | 100 | 64.2 Ų | 64.2 | 44% | 0.435 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.7 | -45.4 | 175.4 | -75 | 169.4 | -168.7 | 150 | 0 | 111.9 | E1526 L1527 L1528 V1534 V1556 | E1526-K1530 VanDerWaalsContact O-CD 3.28Å; E1526-K1530 WeakPolarHBondContact O-CD 3.48Å; E1526-K1530 VanDerWaalsContact O-CG 3.25Å; E1526-K1530 WeakPolarHBondContact O-CG 3.35Å; E1526-K1530 IonicContact OE2-NZ 3.76Å; E1526-K1530 PolarHBondContact OE2-NZ 3.06Å; L1527-K1530 PolarHBondContact O-N 3.13Å; L1528-K1530 VanDerWaalsContact C-N 3.3Å; L1528-K1530 PolarHBondContact O-N 3.02Å; K1530-V1534 WeakPolarHBondContact O-CB 3.49Å; K1530-V1534 VanDerWaalsContact O-CG2 3.28Å; K1530-V1534 WeakPolarHBondContact O-CG2 3.48Å; K1530-V1534 PolarHBondContact O-N 3.03Å; K1530-V1556 HydrophobicContact CB-CG1 3.73Å |
| 1531 | A | 91.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -70.2 | -41.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1527 L1528 V1534 I1535 V1556 L1557 I1569 | L1527-A1531 WeakPolarHBondContact O-CB 3.47Å; L1527-A1531 PolarHBondContact O-N 3.33Å; L1528-A1531 PolarHBondContact O-N 3.01Å; A1531-V1534 PolarHBondContact O-N 3.25Å; A1531-I1535 WeakPolarHBondContact O-CG1 3.4Å; A1531-I1535 PolarHBondContact O-N 2.99Å; A1531-V1556 HydrophobicContact CB-CG1 4.27Å; A1531-L1557 HydrophobicContact CB-CD1 3.97Å; A1531-L1557 HydrophobicContact CB-CD2 3.69Å; A1531-L1557 HydrophobicContact CB-CG 3.78Å; A1531-I1569 HydrophobicContact CB-CD1 3.93Å |
| 1532 | Y | 94.3 | Very high | 84.7 | Confident | 31 Ų | 31 | 67.7 Ų | 67.7 | 12% | 0.122 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -57.8 | -53.7 | 174.9 | 178 | -81.7 | 0 | 0 | 0 | 111.2 | L1528 V1534 I1535 Q1536 I1569 L1572 V1573 D1576 | L1528-Y1532 VanDerWaalsContact O-CB 3.27Å; L1528-Y1532 WeakPolarHBondContact O-CB 3.43Å; L1528-Y1532 PolarHBondContact O-N 3.41Å; Y1532-V1534 PolarHBondContact O-N 3.2Å; Y1532-I1535 PolarHBondContact O-N 3.44Å; Y1532-Q1536 HydrophobicContact CE1-CB 4.38Å; Y1532-Q1536 WeakPolarHBondContact O-CB 3.45Å; Y1532-Q1536 PolarHBondContact O-N 2.95Å; Y1532-I1569 HydrophobicContact CD2-CG2 4.32Å; Y1532-L1572 HydrophobicContact CD2-CB 4.26Å; Y1532-L1572 HydrophobicContact CE2-CB 4.04Å; Y1532-V1573 HydrophobicContact CD2-CG2 3.5Å; Y1532-V1573 VanDerWaalsContact CD2-CG2 3.5Å; Y1532-V1573 HydrophobicContact CE1-CG2 4.42Å; Y1532-V1573 HydrophobicContact CE2-CB 4.23Å; Y1532-V1573 HydrophobicContact CE2-CG2 3.39Å; Y1532-V1573 HydrophobicContact CG-CG2 4.07Å; Y1532-D1576 PolarHBondContact OH-OD2 3.29Å; Y1532-D1576 VanDerWaalsContact OH-OD2 3.1Å |
| 1533 | N | 88.7 | Confident | 82.7 | Confident | 86 Ų | 86 | 71.1 Ų | 71.1 | 46% | 0.46 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.2 | -32.9 | -179 | -69.4 | 7.2 | 0 | 0 | 0 | 112.7 | I1529 A1537 | I1529-N1533 WeakPolarHBondContact O-CB 3.15Å; I1529-N1533 PolarHBondContact O-N 3.04Å; I1529-N1533 PolarHBondContact O-OD1 3.19Å; N1533-A1537 PolarHBondContact O-N 2.64Å |
| 1534 | V | 87.5 | Confident | 80.5 | Confident | 37 Ų | 37 | 74.8 Ų | 74.8 | 22% | 0.224 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -71.9 | -47.8 | 176.5 | 165.2 | 0 | 0 | 0 | 0 | 110.7 | K1530 A1531 Y1532 Q1536 A1537 L1538 I1552 V1553 V1556 | K1530-V1534 WeakPolarHBondContact O-CB 3.49Å; K1530-V1534 VanDerWaalsContact O-CG2 3.28Å; K1530-V1534 WeakPolarHBondContact O-CG2 3.48Å; K1530-V1534 PolarHBondContact O-N 3.03Å; A1531-V1534 PolarHBondContact O-N 3.25Å; Y1532-V1534 PolarHBondContact O-N 3.2Å; V1534-Q1536 VanDerWaalsContact C-N 3.27Å; V1534-Q1536 PolarHBondContact O-N 2.97Å; V1534-A1537 PolarHBondContact O-N 3.34Å; V1534-L1538 HydrophobicContact CG1-CD1 3.52Å; V1534-L1538 WeakPolarHBondContact O-CB 3.42Å; V1534-L1538 VanDerWaalsContact O-CD1 3.25Å; V1534-L1538 WeakPolarHBondContact O-CD1 3.45Å; V1534-L1538 WeakPolarHBondContact O-CG 3.18Å; V1534-L1538 PolarHBondContact O-N 3.22Å; V1534-I1552 HydrophobicContact CG1-CG2 3.71Å; V1534-V1553 HydrophobicContact CG1-CG2 3.73Å; V1534-V1556 HydrophobicContact CG2-CG2 4.32Å |
| 1535 | I | 88.8 | Confident | 78.9 | Confident | 3 Ų | 3 | 77.5 Ų | 77.5 | 2% | 0.015 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.2 | -35.8 | 176 | -67 | 165.1 | 0 | 0 | 0 | 111.2 | A1531 Y1532 L1538 Q1539 V1553 Y1566 I1569 L1570 V1573 | A1531-I1535 WeakPolarHBondContact O-CG1 3.4Å; A1531-I1535 PolarHBondContact O-N 2.99Å; Y1532-I1535 PolarHBondContact O-N 3.44Å; I1535-L1538 CarbonylContact O-C 3.56Å; I1535-L1538 PolarHBondContact O-N 2.94Å; I1535-Q1539 PolarHBondContact O-N 2.65Å; I1535-Q1539 VanDerWaalsContact O-N 3.16Å; I1535-V1553 HydrophobicContact CD1-CG1 4.31Å; I1535-V1553 HydrophobicContact CD1-CG2 4.23Å; I1535-V1553 HydrophobicContact CG1-CG2 3.56Å; I1535-Y1566 HydrophobicContact CD1-CD2 4.03Å; I1535-Y1566 HydrophobicContact CD1-CE2 4.11Å; I1535-Y1566 HydrophobicContact CG1-CE2 4.14Å; I1535-I1569 HydrophobicContact CD1-CB 3.95Å; I1535-I1569 HydrophobicContact CD1-CG2 3.7Å; I1535-L1570 HydrophobicContact CG2-CB 4.3Å; I1535-L1570 HydrophobicContact CG2-CD1 3.6Å; I1535-V1573 HydrophobicContact CB-CG2 4.15Å; I1535-V1573 HydrophobicContact CG2-CB 4.16Å; I1535-V1573 HydrophobicContact CG2-CG1 4.25Å; I1535-V1573 HydrophobicContact CG2-CG2 3.89Å |
| 1536 | Q | 88.8 | Confident | 77.3 | Confident | 70 Ų | 70 | 79.3 Ų | 79.3 | 33% | 0.327 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.3 | -47.3 | 174.9 | -172.6 | 175.2 | 29.1 | 0 | 0 | 112 | Y1532 V1534 L1538 Q1539 E1540 V1573 | Y1532-Q1536 HydrophobicContact CE1-CB 4.38Å; Y1532-Q1536 WeakPolarHBondContact O-CB 3.45Å; Y1532-Q1536 PolarHBondContact O-N 2.95Å; V1534-Q1536 VanDerWaalsContact C-N 3.27Å; V1534-Q1536 PolarHBondContact O-N 2.97Å; Q1536-L1538 VanDerWaalsContact C-N 3.29Å; Q1536-L1538 PolarHBondContact O-N 3.07Å; Q1536-Q1539 PolarHBondContact O-N 2.99Å; Q1536-E1540 WeakPolarHBondContact O-CG 3.4Å; Q1536-E1540 PolarHBondContact O-N 2.98Å; Q1536-V1573 HydrophobicContact CB-CG1 4.07Å; Q1536-V1573 HydrophobicContact CB-CG2 4.35Å; Q1536-V1573 HydrophobicContact CG-CG1 4.4Å |
| 1537 | A | 81.2 | Confident | 75.9 | Confident | 45 Ų | 45 | 77.6 Ų | 77.6 | 37% | 0.372 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -58.9 | -42.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | N1533 V1534 Q1539 E1540 D1541 | N1533-A1537 PolarHBondContact O-N 2.64Å; V1534-A1537 PolarHBondContact O-N 3.34Å; A1537-Q1539 PolarHBondContact O-N 3.4Å; A1537-Q1539 VanDerWaalsContact O-N 3.13Å; A1537-E1540 PolarHBondContact O-N 3.2Å; A1537-D1541 PolarHBondContact O-N 2.94Å |
| 1538 | L | 81.3 | Confident | 74.3 | Confident | 32 Ų | 32 | 80.6 Ų | 80.6 | 17% | 0.168 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -72.5 | 1.7 | 177.1 | -62.6 | 159.8 | 0 | 0 | 0 | 114.1 | V1534 I1535 Q1536 E1544 I1552 V1553 | V1534-L1538 HydrophobicContact CG1-CD1 3.52Å; V1534-L1538 WeakPolarHBondContact O-CB 3.42Å; V1534-L1538 VanDerWaalsContact O-CD1 3.25Å; V1534-L1538 WeakPolarHBondContact O-CD1 3.45Å; V1534-L1538 WeakPolarHBondContact O-CG 3.18Å; V1534-L1538 PolarHBondContact O-N 3.22Å; I1535-L1538 CarbonylContact O-C 3.56Å; I1535-L1538 PolarHBondContact O-N 2.94Å; Q1536-L1538 VanDerWaalsContact C-N 3.29Å; Q1536-L1538 PolarHBondContact O-N 3.07Å; L1538-E1544 WeakPolarHBondContact CD2-OE2 3.12Å; L1538-I1552 HydrophobicContact CD1-CB 4.3Å; L1538-I1552 HydrophobicContact CD1-CG2 4.38Å; L1538-I1552 HydrophobicContact CD2-CD1 3.93Å; L1538-V1553 HydrophobicContact CD1-CG2 4.31Å |
| 1539 | Q | 76.4 | Confident | 72.7 | Confident | 114 Ų | 114 | 80.8 Ų | 80.8 | 53% | 0.533 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -107.9 | -12.4 | 166.7 | -81.3 | -72.7 | -89.9 | 0 | 0 | 112.8 | I1535 Q1536 A1537 L1570 V1573 | I1535-Q1539 PolarHBondContact O-N 2.65Å; I1535-Q1539 VanDerWaalsContact O-N 3.16Å; Q1536-Q1539 PolarHBondContact O-N 2.99Å; A1537-Q1539 PolarHBondContact O-N 3.4Å; A1537-Q1539 VanDerWaalsContact O-N 3.13Å; Q1539-L1570 HydrophobicContact CG-CD1 4.49Å; Q1539-V1573 HydrophobicContact CB-CG1 4.48Å; Q1539-V1573 HydrophobicContact CG-CG1 4.26Å |
| 1540 | E | 72.4 | Confident | 71.7 | Confident | 97 Ų | 97 | 81.6 Ų | 81.6 | 45% | 0.453 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -98.9 | -10.9 | -176.4 | -77.5 | -171.5 | 177.5 | 0 | 0 | 114.5 | K152 Q1536 A1537 | K152-E1540 WeakPolarHBondContact CE-OE2 3.44Å; K152-E1540 IonicContact NZ-OE2 2.82Å; K152-E1540 PolarHBondContact NZ-OE2 2.89Å; Q1536-E1540 WeakPolarHBondContact O-CG 3.4Å; Q1536-E1540 PolarHBondContact O-N 2.98Å; A1537-E1540 PolarHBondContact O-N 3.2Å |
| 1541 | D | 69.5 | Low | 71 | Confident | 101 Ų | 101 | 83.5 Ų | 83.5 | 54% | 0.54 | 43% | 0.429 | S | S | . | . | trans | -105.8 | 114.5 | 176.6 | -71.5 | -37.3 | 0 | 0 | 0 | 109.9 | A1537 D1543 | A1537-D1541 PolarHBondContact O-N 2.94Å; D1541-D1543 PolarHBondContact O-N 3.48Å | ||
| 1542 | E | 55.2 | Low | 70.5 | Confident | 201 Ų | 201 | 86.8 Ų | 86.8 | 94% | 0.939 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -10.2 | -169.7 | -62.7 | 179.3 | 168.9 | 0 | 0 | 114.6 | ||
| 1543 | D | 51.7 | Low | 70 | Confident | 165 Ų | 165 | 85.3 Ų | 85.3 | 88% | 0.882 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | -13.5 | -168.5 | -76.9 | -49.6 | 0 | 0 | 0 | 115.4 | D1541 | D1541-D1543 PolarHBondContact O-N 3.48Š|
| 1544 | E | 45.5 | Very low | 69.9 | Low | 93 Ų | 93 | 84 Ų | 84 | 44% | 0.435 | 43% | 0.43 | S | S | . | . | trans | -86.1 | 133.3 | -172.8 | -87.7 | -163.5 | -165.3 | 0 | 0 | 114.9 | L1538 | L1538-E1544 WeakPolarHBondContact CD2-OE2 3.12Š| ||
| 1545 | T | 50.1 | Low | 69.8 | Low | 89 Ų | 89 | 87 Ų | 87 | 55% | 0.546 | 45% | 0.452 | S | S | . | . | trans | -75.4 | 129.7 | 173.4 | 59.6 | 0 | 0 | 0 | 0 | 112.1 | T1547 E1548 | T1545-T1547 PolarHBondContact O-N 2.91Å; T1545-E1548 PolarHBondContact O-N 3.45Å | ||
| 1546 | I | 53 | Low | 69.8 | Low | 146 Ų | 146 | 88.6 Ų | 88.6 | 75% | 0.749 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -49.8 | -15.8 | -173.7 | -62.6 | 166.8 | 0 | 0 | 0 | 115.4 | S1549 | I1546-S1549 PolarHBondContact O-OG 3.29Å |
| 1547 | T | 53.7 | Low | 69.7 | Low | 104 Ų | 104 | 85.9 Ų | 85.9 | 64% | 0.638 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -77.1 | -22.9 | 175.6 | 36.6 | 0 | 0 | 0 | 0 | 115.2 | T1545 | T1545-T1547 PolarHBondContact O-N 2.91Å |
| 1548 | E | 57.4 | Low | 70 | Confident | 112 Ų | 112 | 85.2 Ų | 85.2 | 52% | 0.523 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -85 | -36.9 | 178.8 | -60.1 | -161.4 | 133.8 | 0 | 0 | 111.4 | T1545 E1550 Q1551 I1552 | T1545-E1548 PolarHBondContact O-N 3.45Å; E1548-E1550 VanDerWaalsContact C-N 3.3Å; E1548-E1550 PolarHBondContact O-N 3.41Å; E1548-Q1551 WeakPolarHBondContact O-CB 3.34Å; E1548-Q1551 PolarHBondContact O-N 2.83Å; E1548-I1552 WeakPolarHBondContact O-CG1 3.48Å; E1548-I1552 PolarHBondContact O-N 3.45Å |
| 1549 | S | 61.7 | Low | 70 | Confident | 8 Ų | 8 | 90.8 Ų | 90.8 | 6% | 0.056 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -56.1 | -41.2 | 176 | 63.1 | 0 | 0 | 0 | 0 | 113.1 | I1546 Q1551 I1552 V1553 | I1546-S1549 PolarHBondContact O-OG 3.29Å; S1549-Q1551 VanDerWaalsContact C-N 3.33Å; S1549-Q1551 PolarHBondContact O-N 3.16Å; S1549-I1552 PolarHBondContact O-N 3.47Å; S1549-V1553 WeakPolarHBondContact O-CG2 3.49Å; S1549-V1553 PolarHBondContact O-N 3.27Å |
| 1550 | E | 68.3 | Low | 70.3 | Confident | 79 Ų | 79 | 92.9 Ų | 92.9 | 37% | 0.369 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.6 | -32.9 | 177.1 | -150.6 | -146.6 | 168.1 | 0 | 0 | 112.4 | E1548 K1554 | E1548-E1550 VanDerWaalsContact C-N 3.3Å; E1548-E1550 PolarHBondContact O-N 3.41Å; E1550-K1554 WeakPolarHBondContact O-CB 3.4Å; E1550-K1554 WeakPolarHBondContact O-CD 3.23Å; E1550-K1554 WeakPolarHBondContact O-CG 3.34Å; E1550-K1554 PolarHBondContact O-N 3.38Å; E1550-K1554 WeakPolarHBondContact OE1-CE 3.33Å; E1550-K1554 IonicContact OE1-NZ 2.67Å; E1550-K1554 PolarHBondContact OE1-NZ 2.91Å; E1550-K1554 IonicContact OE2-NZ 2.64Å; E1550-K1554 PolarHBondContact OE2-NZ 3.01Å |
| 1551 | Q | 74.6 | Confident | 71 | Confident | 141 Ų | 141 | 91.8 Ų | 91.8 | 66% | 0.659 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -71.6 | -41.5 | 174.8 | -67.9 | -163.2 | 28.4 | 0 | 0 | 112 | E1548 S1549 V1553 K1554 S1555 | E1548-Q1551 WeakPolarHBondContact O-CB 3.34Å; E1548-Q1551 PolarHBondContact O-N 2.83Å; S1549-Q1551 VanDerWaalsContact C-N 3.33Å; S1549-Q1551 PolarHBondContact O-N 3.16Å; Q1551-V1553 VanDerWaalsContact C-N 3.31Å; Q1551-V1553 PolarHBondContact O-N 3.07Å; Q1551-K1554 WeakPolarHBondContact O-CB 3.46Å; Q1551-K1554 PolarHBondContact O-N 3Å; Q1551-S1555 PolarHBondContact O-N 3.34Å |
| 1552 | I | 80.2 | Confident | 71.9 | Confident | 68 Ų | 68 | 87 Ų | 87 | 35% | 0.349 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.2 | -42.6 | 178.4 | -61.5 | 166.4 | 0 | 0 | 0 | 109.5 | V1534 L1538 E1548 S1549 S1555 | V1534-I1552 HydrophobicContact CG1-CG2 3.71Å; L1538-I1552 HydrophobicContact CD1-CB 4.3Å; L1538-I1552 HydrophobicContact CD1-CG2 4.38Å; L1538-I1552 HydrophobicContact CD2-CD1 3.93Å; E1548-I1552 WeakPolarHBondContact O-CG1 3.48Å; E1548-I1552 PolarHBondContact O-N 3.45Å; S1549-I1552 PolarHBondContact O-N 3.47Å; I1552-S1555 WeakPolarHBondContact O-CB 3.22Å; I1552-S1555 PolarHBondContact O-N 3.01Å; I1552-S1555 PolarHBondContact O-OG 3.1Å |
| 1553 | V | 83 | Confident | 73.3 | Confident | 0 Ų | 0 | 88.4 Ų | 88.4 | 0% | 0 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -69.8 | -35.4 | 175.2 | -178.3 | 0 | 0 | 0 | 0 | 112.6 | V1534 I1535 L1538 S1549 Q1551 S1555 V1556 L1557 T1562 Y1566 | V1534-V1553 HydrophobicContact CG1-CG2 3.73Å; I1535-V1553 HydrophobicContact CD1-CG1 4.31Å; I1535-V1553 HydrophobicContact CD1-CG2 4.23Å; I1535-V1553 HydrophobicContact CG1-CG2 3.56Å; L1538-V1553 HydrophobicContact CD1-CG2 4.31Å; S1549-V1553 WeakPolarHBondContact O-CG2 3.49Å; S1549-V1553 PolarHBondContact O-N 3.27Å; Q1551-V1553 VanDerWaalsContact C-N 3.31Å; Q1551-V1553 PolarHBondContact O-N 3.07Å; V1553-S1555 PolarHBondContact O-N 3.3Å; V1553-V1556 PolarHBondContact O-N 3Å; V1553-L1557 HydrophobicContact CG1-CD1 3.74Å; V1553-L1557 HydrophobicContact CG1-CG 4.15Å; V1553-L1557 PolarHBondContact O-N 3.43Å; V1553-T1562 HydrophobicContact CB-CG2 4.47Å; V1553-T1562 HydrophobicContact CG1-CG2 4.02Å; V1553-Y1566 HydrophobicContact CB-CD2 4.18Å; V1553-Y1566 HydrophobicContact CB-CE2 4.15Å; V1553-Y1566 HydrophobicContact CG1-CD2 3.91Å; V1553-Y1566 HydrophobicContact CG1-CE2 4.33Å; V1553-Y1566 HydrophobicContact CG2-CD2 4.4Å; V1553-Y1566 HydrophobicContact CG2-CE2 4Å |
| 1554 | K | 87.7 | Confident | 75.1 | Confident | 60 Ų | 60 | 85 Ų | 85 | 26% | 0.261 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -57.3 | -31.7 | 170 | -78 | 166.2 | -175.5 | 167.4 | 0 | 112.8 | E1550 Q1551 V1556 G1558 T1562 | E1550-K1554 WeakPolarHBondContact O-CB 3.4Å; E1550-K1554 WeakPolarHBondContact O-CD 3.23Å; E1550-K1554 WeakPolarHBondContact O-CG 3.34Å; E1550-K1554 PolarHBondContact O-N 3.38Å; E1550-K1554 WeakPolarHBondContact OE1-CE 3.33Å; E1550-K1554 IonicContact OE1-NZ 2.67Å; E1550-K1554 PolarHBondContact OE1-NZ 2.91Å; E1550-K1554 IonicContact OE2-NZ 2.64Å; E1550-K1554 PolarHBondContact OE2-NZ 3.01Å; Q1551-K1554 WeakPolarHBondContact O-CB 3.46Å; Q1551-K1554 PolarHBondContact O-N 3Å; K1554-V1556 VanDerWaalsContact C-N 3.33Å; K1554-G1558 WeakPolarHBondContact O-CA 3.47Å; K1554-G1558 PolarHBondContact O-N 3.14Å; K1554-T1562 WeakPolarHBondContact CA-OG1 3.35Å; K1554-T1562 HydrophobicContact CG-CG2 3.95Å |
| 1555 | S | 86 | Confident | 77.4 | Confident | 98 Ų | 98 | 82 Ų | 82 | 69% | 0.685 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -69.8 | -27 | 174 | 85 | 0 | 0 | 0 | 0 | 114 | Q1551 I1552 V1553 | Q1551-S1555 PolarHBondContact O-N 3.34Å; I1552-S1555 WeakPolarHBondContact O-CB 3.22Å; I1552-S1555 PolarHBondContact O-N 3.01Å; I1552-S1555 PolarHBondContact O-OG 3.1Å; V1553-S1555 PolarHBondContact O-N 3.3Å |
| 1556 | V | 87.2 | Confident | 79.4 | Confident | 38 Ų | 38 | 79.7 Ų | 79.7 | 23% | 0.23 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -90.5 | -45.8 | -176.7 | 175.9 | 0 | 0 | 0 | 0 | 112.3 | K1530 A1531 V1534 V1553 K1554 | K1530-V1556 HydrophobicContact CB-CG1 3.73Å; A1531-V1556 HydrophobicContact CB-CG1 4.27Å; V1534-V1556 HydrophobicContact CG2-CG2 4.32Å; V1553-V1556 PolarHBondContact O-N 3Å; K1554-V1556 VanDerWaalsContact C-N 3.33Å |
| 1557 | L | 87.6 | Confident | 81.1 | Confident | 12 Ų | 12 | 78 Ų | 78 | 6% | 0.063 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -90.7 | -29 | -177.5 | -70.4 | 179.6 | 0 | 0 | 0 | 112.8 | L1523 L1527 A1531 V1553 K1561 T1562 I1569 | L1523-L1557 HydrophobicContact CD2-CD2 3.73Å; L1527-L1557 HydrophobicContact CD2-CD2 4.1Å; L1527-L1557 HydrophobicContact CG-CD2 4.16Å; A1531-L1557 HydrophobicContact CB-CD1 3.97Å; A1531-L1557 HydrophobicContact CB-CD2 3.69Å; A1531-L1557 HydrophobicContact CB-CG 3.78Å; V1553-L1557 HydrophobicContact CG1-CD1 3.74Å; V1553-L1557 HydrophobicContact CG1-CG 4.15Å; V1553-L1557 PolarHBondContact O-N 3.43Å; L1557-K1561 HydrophobicContact CB-CB 3.96Å; L1557-K1561 WeakPolarHBondContact O-CB 3.14Å; L1557-K1561 WeakPolarHBondContact O-CD 3.42Å; L1557-T1562 WeakPolarHBondContact CB-OG1 3.46Å; L1557-I1569 HydrophobicContact CD1-CD1 3.97Å |
| 1558 | G | 86.6 | Confident | 83 | Confident | 32 Ų | 32 | 75.9 Ų | 75.9 | 33% | 0.33 | 37% | 0.368 | S | S | . | . | trans | 85.2 | 154.4 | -161.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | K1554 E1560 K1561 T1562 | K1554-G1558 WeakPolarHBondContact O-CA 3.47Å; K1554-G1558 PolarHBondContact O-N 3.14Å; G1558-E1560 PolarHBondContact O-N 3.43Å; G1558-K1561 PolarHBondContact O-N 3.06Å; G1558-T1562 WeakPolarHBondContact O-CB 3.03Å; G1558-T1562 PolarHBondContact O-N 2.64Å; G1558-T1562 PolarHBondContact O-OG1 3.28Å | ||
| 1559 | E | 83.2 | Confident | 84.8 | Confident | 149 Ų | 149 | 70.5 Ų | 70.5 | 70% | 0.696 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -60.5 | -46.9 | -170 | -170.6 | 171.2 | -145.4 | 0 | 0 | 113.4 | T1562 R1563 | E1559-T1562 PolarHBondContact O-N 2.98Å; E1559-R1563 PolarHBondContact O-N 2.96Å |
| 1560 | E | 82.4 | Confident | 86.1 | Confident | 158 Ų | 158 | 71.9 Ų | 71.9 | 74% | 0.738 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -61.1 | -47.5 | 177.5 | -178.2 | 176.4 | -142.6 | 0 | 0 | 112.1 | G1558 R1563 I1564 | G1558-E1560 PolarHBondContact O-N 3.43Å; E1560-R1563 PolarHBondContact O-N 3.38Å; E1560-I1564 HydrophobicContact CG-CD1 4.24Å; E1560-I1564 WeakPolarHBondContact O-CD1 3.38Å; E1560-I1564 WeakPolarHBondContact O-CG1 3.18Å; E1560-I1564 PolarHBondContact O-N 2.84Å |
| 1561 | K | 87.1 | Confident | 87.1 | Confident | 73 Ų | 73 | 73.3 Ų | 73.3 | 32% | 0.317 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -67.8 | -39.1 | 179.5 | -68.7 | -158.8 | 176.9 | -164.5 | 0 | 112.3 | L1523 L1527 L1557 G1558 R1563 I1564 Y1565 | L1523-K1561 HydrophobicContact CD2-CD 3.91Å; L1527-K1561 HydrophobicContact CD2-CD 4.1Å; L1557-K1561 HydrophobicContact CB-CB 3.96Å; L1557-K1561 WeakPolarHBondContact O-CB 3.14Å; L1557-K1561 WeakPolarHBondContact O-CD 3.42Å; G1558-K1561 PolarHBondContact O-N 3.06Å; K1561-R1563 VanDerWaalsContact C-N 3.28Å; K1561-R1563 PolarHBondContact O-N 2.84Å; K1561-I1564 PolarHBondContact O-N 2.98Å; K1561-I1564 VanDerWaalsContact O-N 3.07Å; K1561-Y1565 HydrophobicContact CB-CD2 3.93Å; K1561-Y1565 HydrophobicContact CB-CE2 4.11Å; K1561-Y1565 HydrophobicContact CD-CE2 4.36Å; K1561-Y1565 HydrophobicContact CG-CD2 4.46Å; K1561-Y1565 HydrophobicContact CG-CE2 4.16Å; K1561-Y1565 WeakPolarHBondContact O-CD2 3.49Å; K1561-Y1565 PolarHBondContact O-N 3.42Å |
| 1562 | T | 88 | Confident | 87.9 | Confident | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.006 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.8 | -46.4 | 177.6 | -51.4 | 0 | 0 | 0 | 0 | 110.1 | V1553 K1554 L1557 G1558 E1559 I1564 Y1565 Y1566 | V1553-T1562 HydrophobicContact CB-CG2 4.47Å; V1553-T1562 HydrophobicContact CG1-CG2 4.02Å; K1554-T1562 WeakPolarHBondContact CA-OG1 3.35Å; K1554-T1562 HydrophobicContact CG-CG2 3.95Å; L1557-T1562 WeakPolarHBondContact CB-OG1 3.46Å; G1558-T1562 WeakPolarHBondContact O-CB 3.03Å; G1558-T1562 PolarHBondContact O-N 2.64Å; G1558-T1562 PolarHBondContact O-OG1 3.28Å; E1559-T1562 PolarHBondContact O-N 2.98Å; T1562-I1564 PolarHBondContact O-N 2.69Å; T1562-I1564 VanDerWaalsContact O-N 3.1Å; T1562-Y1565 PolarHBondContact O-N 2.75Å; T1562-Y1566 HydrophobicContact CG2-CD2 3.95Å; T1562-Y1566 HydrophobicContact CG2-CG 4.33Å; T1562-Y1566 WeakPolarHBondContact O-CB 3.33Å; T1562-Y1566 PolarHBondContact O-N 3.44Å |
| 1563 | R | 85.2 | Confident | 88.3 | Confident | 230 Ų | 230 | 64.2 Ų | 64.2 | 87% | 0.868 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -62.6 | -17.4 | 178.5 | -165.5 | 175.3 | -177.3 | -179 | 2.8 | 114.8 | E1559 E1560 K1561 | E1559-R1563 PolarHBondContact O-N 2.96Å; E1560-R1563 PolarHBondContact O-N 3.38Å; K1561-R1563 VanDerWaalsContact C-N 3.28Å; K1561-R1563 PolarHBondContact O-N 2.84Å |
| 1564 | I | 88.4 | Confident | 88.3 | Confident | 95 Ų | 95 | 68 Ų | 68 | 49% | 0.487 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -99.7 | -38.9 | 179.3 | -62 | 165.6 | 0 | 0 | 0 | 111.5 | E1560 K1561 T1562 | E1560-I1564 HydrophobicContact CG-CD1 4.24Å; E1560-I1564 WeakPolarHBondContact O-CD1 3.38Å; E1560-I1564 WeakPolarHBondContact O-CG1 3.18Å; E1560-I1564 PolarHBondContact O-N 2.84Å; K1561-I1564 PolarHBondContact O-N 2.98Å; K1561-I1564 VanDerWaalsContact O-N 3.07Å; T1562-I1564 PolarHBondContact O-N 2.69Å; T1562-I1564 VanDerWaalsContact O-N 3.1Å |
| 1565 | Y | 94.8 | Very high | 88.1 | Confident | 30 Ų | 30 | 66 Ų | 66 | 12% | 0.118 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -111.3 | -17.2 | -166.9 | -54.6 | -66.5 | 0 | 0 | 0 | 115.2 | L1519 E1522 L1523 K1561 T1562 D1567 R1568 I1569 | L1519-Y1565 HydrophobicContact CD2-CD1 3.61Å; L1519-Y1565 HydrophobicContact CD2-CE1 4.42Å; L1519-Y1565 HydrophobicContact CD2-CG 4.28Å; E1522-Y1565 HydrophobicContact CB-CE1 3.91Å; E1522-Y1565 WeakPolarHBondContact OE2-CE1 3.49Å; L1523-Y1565 HydrophobicContact CD1-CD1 4.27Å; L1523-Y1565 HydrophobicContact CD1-CD2 4.17Å; L1523-Y1565 HydrophobicContact CD1-CG 3.88Å; L1523-Y1565 HydrophobicContact CD2-CD2 3.58Å; L1523-Y1565 HydrophobicContact CD2-CE2 3.83Å; L1523-Y1565 HydrophobicContact CD2-CG 4.17Å; L1523-Y1565 HydrophobicContact CG-CD1 4.38Å; L1523-Y1565 HydrophobicContact CG-CD2 3.93Å; L1523-Y1565 HydrophobicContact CG-CE2 4.14Å; L1523-Y1565 HydrophobicContact CG-CG 4.08Å; K1561-Y1565 HydrophobicContact CB-CD2 3.93Å; K1561-Y1565 HydrophobicContact CB-CE2 4.11Å; K1561-Y1565 HydrophobicContact CD-CE2 4.36Å; K1561-Y1565 HydrophobicContact CG-CD2 4.46Å; K1561-Y1565 HydrophobicContact CG-CE2 4.16Å; K1561-Y1565 WeakPolarHBondContact O-CD2 3.49Å; K1561-Y1565 PolarHBondContact O-N 3.42Å; T1562-Y1565 PolarHBondContact O-N 2.75Å; Y1565-D1567 PolarHBondContact O-N 2.89Å; Y1565-R1568 PolarHBondContact O-N 2.96Å; Y1565-I1569 WeakPolarHBondContact O-CG1 3.46Å; Y1565-I1569 PolarHBondContact O-N 3.42Å |
| 1566 | Y | 91.9 | Very high | 87.8 | Confident | 39 Ų | 39 | 64.1 Ų | 64.1 | 15% | 0.153 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -52.2 | -53.1 | -175.2 | -175.3 | -90.8 | 0 | 0 | 0 | 112 | I1535 V1553 T1562 R1568 I1569 L1570 | I1535-Y1566 HydrophobicContact CD1-CD2 4.03Å; I1535-Y1566 HydrophobicContact CD1-CE2 4.11Å; I1535-Y1566 HydrophobicContact CG1-CE2 4.14Å; V1553-Y1566 HydrophobicContact CB-CD2 4.18Å; V1553-Y1566 HydrophobicContact CB-CE2 4.15Å; V1553-Y1566 HydrophobicContact CG1-CD2 3.91Å; V1553-Y1566 HydrophobicContact CG1-CE2 4.33Å; V1553-Y1566 HydrophobicContact CG2-CD2 4.4Å; V1553-Y1566 HydrophobicContact CG2-CE2 4Å; T1562-Y1566 HydrophobicContact CG2-CD2 3.95Å; T1562-Y1566 HydrophobicContact CG2-CG 4.33Å; T1562-Y1566 WeakPolarHBondContact O-CB 3.33Å; T1562-Y1566 PolarHBondContact O-N 3.44Å; Y1566-R1568 VanDerWaalsContact C-N 3.26Å; Y1566-R1568 PolarHBondContact O-N 2.74Å; Y1566-I1569 PolarHBondContact O-N 3.45Å; Y1566-L1570 HydrophobicContact CD1-CD2 4.43Å; Y1566-L1570 HydrophobicContact CE1-CD2 3.82Å; Y1566-L1570 VanDerWaalsContact O-CB 3.26Å; Y1566-L1570 WeakPolarHBondContact O-CB 3.31Å; Y1566-L1570 PolarHBondContact O-N 3.07Å |
| 1567 | D | 88.5 | Confident | 86.7 | Confident | 112 Ų | 112 | 63.9 Ų | 63.9 | 60% | 0.599 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -62 | -28.9 | -179.2 | -65.5 | -4.1 | 0 | 0 | 0 | 114 | Y1565 Q1571 | Y1565-D1567 PolarHBondContact O-N 2.89Å; D1567-Q1571 WeakPolarHBondContact O-CB 3.41Å; D1567-Q1571 VanDerWaalsContact O-CG 3.28Å; D1567-Q1571 WeakPolarHBondContact O-CG 3.4Å; D1567-Q1571 PolarHBondContact O-N 3.45Å; D1567-Q1571 VanDerWaalsContact O-N 3.12Å; D1567-Q1571 PolarHBondContact O-NE2 3.34Å |
| 1568 | R | 93.9 | Very high | 85.2 | Confident | 58 Ų | 58 | 65.9 Ų | 65.9 | 22% | 0.219 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -80.2 | -38.3 | 178.3 | -66.5 | 176.6 | 71.3 | -170.5 | 2.2 | 111.3 | M1515 D1518 L1519 E1522 Y1565 Y1566 Q1571 L1572 | M1515-R1568 HydrophobicContact CG-CB 4.42Å; M1515-R1568 HydrophobicContact SD-CB 3.92Å; M1515-R1568 HydrophobicContact SD-CG 4.05Å; D1518-R1568 IonicContact OD2-NH2 2.7Å; D1518-R1568 PolarHBondContact OD2-NH2 3.21Å; L1519-R1568 HydrophobicContact CD1-CB 3.96Å; L1519-R1568 HydrophobicContact CD2-CB 4.13Å; L1519-R1568 HydrophobicContact CG-CB 4.44Å; E1522-R1568 IonicContact OE1-NH1 3.72Å; E1522-R1568 IonicContact OE2-CZ 2.77Å; E1522-R1568 IonicContact OE2-NH1 2.64Å; E1522-R1568 PolarHBondContact OE2-NH1 3.38Å; E1522-R1568 IonicContact OE2-NH2 2.69Å; Y1565-R1568 PolarHBondContact O-N 2.96Å; Y1566-R1568 VanDerWaalsContact C-N 3.26Å; Y1566-R1568 PolarHBondContact O-N 2.74Å; R1568-Q1571 PolarHBondContact O-N 3.31Å; R1568-L1572 PolarHBondContact O-N 3.38Å |
| 1569 | I | 94 | Very high | 83.6 | Confident | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -72.3 | -41.5 | 176.2 | -57 | 165.2 | 0 | 0 | 0 | 110 | L1519 L1523 L1528 A1531 Y1532 I1535 L1557 Y1565 Y1566 Q1571 L1572 V1573 | L1519-I1569 HydrophobicContact CD1-CG1 4.07Å; L1519-I1569 HydrophobicContact CD2-CG1 4.42Å; L1523-I1569 HydrophobicContact CD1-CD1 3.88Å; L1528-I1569 HydrophobicContact CD1-CD1 4.08Å; L1528-I1569 HydrophobicContact CD1-CG1 3.73Å; L1528-I1569 HydrophobicContact CD1-CG2 4.34Å; A1531-I1569 HydrophobicContact CB-CD1 3.93Å; Y1532-I1569 HydrophobicContact CD2-CG2 4.32Å; I1535-I1569 HydrophobicContact CD1-CB 3.95Å; I1535-I1569 HydrophobicContact CD1-CG2 3.7Å; L1557-I1569 HydrophobicContact CD1-CD1 3.97Å; Y1565-I1569 WeakPolarHBondContact O-CG1 3.46Å; Y1565-I1569 PolarHBondContact O-N 3.42Å; Y1566-I1569 PolarHBondContact O-N 3.45Å; I1569-Q1571 VanDerWaalsContact C-N 3.3Å; I1569-Q1571 PolarHBondContact O-N 2.92Å; I1569-L1572 WeakPolarHBondContact O-CB 3.11Å; I1569-L1572 PolarHBondContact O-N 3.27Å; I1569-V1573 PolarHBondContact O-N 3.14Å |
| 1570 | L | 90.5 | Very high | 81.8 | Confident | 37 Ų | 37 | 69 Ų | 69 | 19% | 0.194 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.2 | -37.3 | 173.1 | -179.8 | 62.9 | 0 | 0 | 0 | 111.6 | I1535 Q1539 Y1566 L1572 V1573 L1574 | I1535-L1570 HydrophobicContact CG2-CB 4.3Å; I1535-L1570 HydrophobicContact CG2-CD1 3.6Å; Q1539-L1570 HydrophobicContact CG-CD1 4.49Å; Y1566-L1570 HydrophobicContact CD1-CD2 4.43Å; Y1566-L1570 HydrophobicContact CE1-CD2 3.82Å; Y1566-L1570 VanDerWaalsContact O-CB 3.26Å; Y1566-L1570 WeakPolarHBondContact O-CB 3.31Å; Y1566-L1570 PolarHBondContact O-N 3.07Å; L1570-L1572 VanDerWaalsContact C-N 3.31Å; L1570-L1572 PolarHBondContact O-N 3.34Å; L1570-V1573 PolarHBondContact O-N 3.1Å; L1570-L1574 HydrophobicContact CD1-CD1 4.03Å; L1570-L1574 HydrophobicContact CD1-CG 3.93Å; L1570-L1574 HydrophobicContact CD2-CD1 4.39Å; L1570-L1574 HydrophobicContact CG-CD1 3.8Å; L1570-L1574 HydrophobicContact CG-CG 4.16Å; L1570-L1574 VanDerWaalsContact O-CB 3.28Å; L1570-L1574 WeakPolarHBondContact O-CB 3.49Å; L1570-L1574 VanDerWaalsContact O-CG 3.27Å; L1570-L1574 WeakPolarHBondContact O-CG 3.23Å; L1570-L1574 PolarHBondContact O-N 2.95Å |
| 1571 | Q | 87.3 | Confident | 79.5 | Confident | 108 Ų | 108 | 68.2 Ų | 68.2 | 51% | 0.505 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.8 | -27.6 | 172.1 | -85.2 | 170.7 | 74.5 | 0 | 0 | 114.1 | M1515 D1567 R1568 I1569 A1575 | M1515-Q1571 HydrophobicContact CE-CB 3.68Å; D1567-Q1571 WeakPolarHBondContact O-CB 3.41Å; D1567-Q1571 VanDerWaalsContact O-CG 3.28Å; D1567-Q1571 WeakPolarHBondContact O-CG 3.4Å; D1567-Q1571 PolarHBondContact O-N 3.45Å; D1567-Q1571 VanDerWaalsContact O-N 3.12Å; D1567-Q1571 PolarHBondContact O-NE2 3.34Å; R1568-Q1571 PolarHBondContact O-N 3.31Å; I1569-Q1571 VanDerWaalsContact C-N 3.3Å; I1569-Q1571 PolarHBondContact O-N 2.92Å; Q1571-A1575 VanDerWaalsContact O-CB 3.22Å; Q1571-A1575 WeakPolarHBondContact O-CB 3.39Å; Q1571-A1575 PolarHBondContact O-N 2.87Å |
| 1572 | L | 91.6 | Very high | 76.7 | Confident | 10 Ų | 10 | 72.3 Ų | 72.3 | 5% | 0.052 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -71.1 | -51.8 | 169.7 | -66.6 | 175.7 | 0 | 0 | 0 | 110.3 | L1512 M1515 R1516 L1519 Y1532 R1568 I1569 L1570 L1574 A1575 D1576 | L1512-L1572 HydrophobicContact CB-CD2 4.43Å; L1512-L1572 HydrophobicContact CD2-CD2 4.18Å; M1515-L1572 HydrophobicContact CE-CD2 3.97Å; M1515-L1572 HydrophobicContact CE-CG 4.14Å; R1516-L1572 HydrophobicContact CB-CD1 3.94Å; R1516-L1572 HydrophobicContact CB-CD2 4.15Å; R1516-L1572 HydrophobicContact CG-CD1 4.2Å; L1519-L1572 HydrophobicContact CD1-CD1 3.79Å; Y1532-L1572 HydrophobicContact CD2-CB 4.26Å; Y1532-L1572 HydrophobicContact CE2-CB 4.04Å; R1568-L1572 PolarHBondContact O-N 3.38Å; I1569-L1572 WeakPolarHBondContact O-CB 3.11Å; I1569-L1572 PolarHBondContact O-N 3.27Å; L1570-L1572 VanDerWaalsContact C-N 3.31Å; L1570-L1572 PolarHBondContact O-N 3.34Å; L1572-L1574 VanDerWaalsContact C-N 3.33Å; L1572-L1574 PolarHBondContact O-N 3.33Å; L1572-A1575 PolarHBondContact O-N 3.17Å; L1572-D1576 PolarHBondContact O-N 3.2Å |
| 1573 | V | 89.9 | Confident | 74 | Confident | 8 Ų | 8 | 82.5 Ų | 82.5 | 5% | 0.048 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -56.1 | -45.2 | 178.9 | 174 | 0 | 0 | 0 | 0 | 111.8 | Y1532 I1535 Q1536 Q1539 I1569 L1570 A1575 G1577 | Y1532-V1573 HydrophobicContact CD2-CG2 3.5Å; Y1532-V1573 VanDerWaalsContact CD2-CG2 3.5Å; Y1532-V1573 HydrophobicContact CE1-CG2 4.42Å; Y1532-V1573 HydrophobicContact CE2-CB 4.23Å; Y1532-V1573 HydrophobicContact CE2-CG2 3.39Å; Y1532-V1573 HydrophobicContact CG-CG2 4.07Å; I1535-V1573 HydrophobicContact CB-CG2 4.15Å; I1535-V1573 HydrophobicContact CG2-CB 4.16Å; I1535-V1573 HydrophobicContact CG2-CG1 4.25Å; I1535-V1573 HydrophobicContact CG2-CG2 3.89Å; Q1536-V1573 HydrophobicContact CB-CG1 4.07Å; Q1536-V1573 HydrophobicContact CB-CG2 4.35Å; Q1536-V1573 HydrophobicContact CG-CG1 4.4Å; Q1539-V1573 HydrophobicContact CB-CG1 4.48Å; Q1539-V1573 HydrophobicContact CG-CG1 4.26Å; I1569-V1573 PolarHBondContact O-N 3.14Å; L1570-V1573 PolarHBondContact O-N 3.1Å; V1573-A1575 VanDerWaalsContact C-N 3.35Å; V1573-G1577 PolarHBondContact O-N 3.36Å |
| 1574 | L | 83.1 | Confident | 73.5 | Confident | 81 Ų | 81 | 75.1 Ų | 75.1 | 42% | 0.424 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -69.6 | -28.7 | 177.6 | -72 | 174.3 | 0 | 0 | 0 | 113.1 | L1570 L1572 A1578 | L1570-L1574 HydrophobicContact CD1-CD1 4.03Å; L1570-L1574 HydrophobicContact CD1-CG 3.93Å; L1570-L1574 HydrophobicContact CD2-CD1 4.39Å; L1570-L1574 HydrophobicContact CG-CD1 3.8Å; L1570-L1574 HydrophobicContact CG-CG 4.16Å; L1570-L1574 VanDerWaalsContact O-CB 3.28Å; L1570-L1574 WeakPolarHBondContact O-CB 3.49Å; L1570-L1574 VanDerWaalsContact O-CG 3.27Å; L1570-L1574 WeakPolarHBondContact O-CG 3.23Å; L1570-L1574 PolarHBondContact O-N 2.95Å; L1572-L1574 VanDerWaalsContact C-N 3.33Å; L1572-L1574 PolarHBondContact O-N 3.33Å; L1574-A1578 VanDerWaalsContact O-CB 3.25Å; L1574-A1578 WeakPolarHBondContact O-CB 3.4Å; L1574-A1578 PolarHBondContact O-N 2.98Å |
| 1575 | A | 83.9 | Confident | 72.7 | Confident | 18 Ų | 18 | 74.1 Ų | 74.1 | 15% | 0.149 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -74.4 | -44.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1512 Q1571 L1572 V1573 G1577 A1578 Y1579 | L1512-A1575 HydrophobicContact CD1-CB 3.65Å; L1512-A1575 HydrophobicContact CD2-CB 3.7Å; L1512-A1575 HydrophobicContact CG-CB 4.34Å; Q1571-A1575 VanDerWaalsContact O-CB 3.22Å; Q1571-A1575 WeakPolarHBondContact O-CB 3.39Å; Q1571-A1575 PolarHBondContact O-N 2.87Å; L1572-A1575 PolarHBondContact O-N 3.17Å; V1573-A1575 VanDerWaalsContact C-N 3.35Å; A1575-G1577 PolarHBondContact O-N 2.9Å; A1575-A1578 PolarHBondContact O-N 3.19Å; A1575-Y1579 WeakPolarHBondContact O-CD2 3.38Å; A1575-Y1579 PolarHBondContact O-N 3.35Å |
| 1576 | D | 78.6 | Confident | 71.5 | Confident | 57 Ų | 57 | 76.5 Ų | 76.5 | 31% | 0.305 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.3 | -26.9 | 174.2 | -71 | -39.4 | 0 | 0 | 0 | 111.7 | Y1532 L1572 | Y1532-D1576 PolarHBondContact OH-OD2 3.29Å; Y1532-D1576 VanDerWaalsContact OH-OD2 3.1Å; L1572-D1576 PolarHBondContact O-N 3.2Å |
| 1577 | G | 64.9 | Low | 70.3 | Confident | 33 Ų | 33 | 78.7 Ų | 78.7 | 34% | 0.34 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -73 | -49.3 | 168 | 0 | 0 | 0 | 0 | 0 | 113.7 | V1573 A1575 Y1579 M1580 | V1573-G1577 PolarHBondContact O-N 3.36Å; A1575-G1577 PolarHBondContact O-N 2.9Å; G1577-Y1579 PolarHBondContact O-N 3.48Å; G1577-Y1579 VanDerWaalsContact O-N 3.14Å; G1577-M1580 WeakPolarHBondContact O-CB 3.48Å; G1577-M1580 WeakPolarHBondContact O-CG 3.38Å; G1577-M1580 PolarHBondContact O-N 3.49Å |
| 1578 | A | 56.3 | Low | 69.1 | Low | 54 Ų | 54 | 76.6 Ų | 76.6 | 45% | 0.446 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.7 | -21.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | L1574 A1575 M1580 | L1574-A1578 VanDerWaalsContact O-CB 3.25Å; L1574-A1578 WeakPolarHBondContact O-CB 3.4Å; L1574-A1578 PolarHBondContact O-N 2.98Å; A1575-A1578 PolarHBondContact O-N 3.19Å; A1578-M1580 PolarHBondContact O-N 3.05Å |
| 1579 | Y | 51.5 | Low | 67.5 | Low | 156 Ų | 156 | 77.9 Ų | 77.9 | 61% | 0.612 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | 0.9 | 170.3 | -86.6 | -69.2 | 0 | 0 | 0 | 114.4 | A1575 G1577 | A1575-Y1579 WeakPolarHBondContact O-CD2 3.38Å; A1575-Y1579 PolarHBondContact O-N 3.35Å; G1577-Y1579 PolarHBondContact O-N 3.48Å; G1577-Y1579 VanDerWaalsContact O-N 3.14Å |
| 1580 | M | 45.9 | Very low | 65.6 | Low | 92 Ų | 92 | 83.4 Ų | 83.4 | 45% | 0.453 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | -14 | 177.4 | -57.9 | -76.7 | -69.6 | 0 | 0 | 113.9 | M151 G1577 A1578 | M151-M1580 HydrophobicContact CB-CE 4.06Å; M151-M1580 HydrophobicContact CE-CE 3.95Å; M151-M1580 HydrophobicContact CE-SD 4.41Å; G1577-M1580 WeakPolarHBondContact O-CB 3.48Å; G1577-M1580 WeakPolarHBondContact O-CG 3.38Å; G1577-M1580 PolarHBondContact O-N 3.49Å; A1578-M1580 PolarHBondContact O-N 3.05Å |
| 1581 | D | 34.7 | Very low | 63.7 | Low | 141 Ų | 141 | 87 Ų | 87 | 75% | 0.754 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -105 | -8.1 | -172.1 | -66 | -34.6 | 0 | 0 | 0 | 114.1 | ||
| 1582 | D | 28.1 | Very low | 61.7 | Low | 159 Ų | 159 | 85.3 Ų | 85.3 | 85% | 0.85 | 45% | 0.453 | S | S | * | . | trans | -108 | 49 | -178.2 | -91.2 | -25.7 | 0 | 0 | 0 | 112.6 | ||||
| 1583 | E | 32 | Very low | 59 | Low | 214 Ų | 214 | 92.1 Ų | 92.1 | 100% | 1 | 49% | 0.489 | S | S | * | . | trans | -124.9 | 0 | 162.3 | -81 | -155.1 | 140.2 | 0 | 0 | 112.7 | Y111 | Y111-E1583 PolarHBondContact OH-OE2 2.94Å; Y111-E1583 VanDerWaalsContact OH-OE2 3.09Å |
Retrieved 1,583 of 1,583 residues in 457.2 ms
(Link to these results)