| 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 | 70.5 | Confident | 80.8 | Confident | 57 Ų | 57 | 57.6 Ų | 57.6 | 28% | 0.281 | 31% | 0.307 | S | S | . | . | 0 | 145 | 0 | -171.1 | -178.1 | -72.9 | 0 | 0 | 106.8 | Q298 E334 G340 | M1-Q298 HydrophobicContact CG-CB 4.28Å; M1-Q298 HydrophobicContact CG-CG 4.41Å; M1-E334 VanDerWaalsContact N-CD 3.33Å; M1-E334 PolarHBondContact N-OE2 3.36Å; M1-G340 WeakPolarHBondContact CE-O 2.93Å | |||
| 2 | A | 79.9 | Confident | 78.2 | Confident | 5 Ų | 5 | 61.8 Ų | 61.8 | 4% | 0.041 | 34% | 0.344 | C | S | . | . | trans | -71 | 138.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | V289 Q298 K332 | A2-V289 HydrophobicContact CB-CG1 3.83Å; A2-Q298 HydrophobicContact CB-CB 4.49Å; A2-K332 CarbonylContact C-O 3.3Å; A2-K332 WeakPolarHBondContact CA-O 3.36Å; A2-K332 WeakPolarHBondContact CB-O 3.31Å | ||
| 3 | A | 85.3 | Confident | 76.2 | Confident | 45 Ų | 45 | 61.8 Ų | 61.8 | 37% | 0.372 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 141.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110 | Y331 K332 | A3-Y331 WeakPolarHBondContact O-CA 3.32Å; A3-K332 PolarHBondContact N-O 3.06Å; A3-K332 PolarHBondContact O-N 2.76Å |
| 4 | L | 86.3 | Confident | 74.5 | Confident | 30 Ų | 30 | 65.2 Ų | 65.2 | 16% | 0.157 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 125.7 | 168.3 | -64.6 | 172.1 | 0 | 0 | 0 | 107.2 | L287 V289 T299 K301 L318 I329 | L4-L287 HydrophobicContact CD1-CD2 4.17Å; L4-L287 HydrophobicContact CD1-CG 4.25Å; L4-L287 HydrophobicContact CD2-CD2 4.21Å; L4-V289 HydrophobicContact CD1-CG2 4.45Å; L4-V289 HydrophobicContact CD2-CG2 3.92Å; L4-V289 HydrophobicContact CG-CG2 4.21Å; L4-T299 HydrophobicContact CD1-CG2 4.15Å; L4-T299 HydrophobicContact CG-CG2 3.8Å; L4-K301 HydrophobicContact CD1-CB 3.86Å; L4-L318 HydrophobicContact CD2-CD1 4.13Å; L4-I329 HydrophobicContact CB-CG2 4.14Å; L4-I329 HydrophobicContact CD2-CG2 3.97Å |
| 5 | E | 87.1 | Confident | 73.4 | Confident | 76 Ų | 76 | 61.4 Ų | 61.4 | 36% | 0.355 | 35% | 0.347 | S | S | . | . | trans | -85.1 | -177 | 178.9 | -56.9 | -166.8 | 154 | 0 | 0 | 111.6 | E7 P330 K332 | E5-E7 PolarHBondContact O-N 3.26Å; E5-P330 HydrophobicContact CB-CB 4.08Å; E5-P330 HydrophobicContact CB-CG 4.45Å; E5-P330 HydrophobicContact CG-CB 4.38Å; E5-P330 PolarHBondContact N-O 3.49Å; E5-K332 VanDerWaalsContact OE1-CD 3.26Å; E5-K332 WeakPolarHBondContact OE1-CD 3.48Å; E5-K332 WeakPolarHBondContact OE1-CE 3.46Å; E5-K332 IonicContact OE1-NZ 3.29Å; E5-K332 PolarHBondContact OE1-NZ 3.46Å | ||
| 6 | E | 85.2 | Confident | 72.1 | Confident | 180 Ų | 180 | 60.6 Ų | 60.6 | 84% | 0.841 | 35% | 0.347 | S | S | * | . | trans | -59.2 | 132.2 | 175.9 | -71.1 | -169.6 | 164.5 | 0 | 0 | 111.1 | P330 | E6-P330 WeakPolarHBondContact O-CD 3.39Š| ||
| 7 | E | 86.7 | Confident | 70.5 | Confident | 77 Ų | 77 | 61.5 Ų | 61.5 | 36% | 0.36 | 36% | 0.363 | S | S | . | . | trans | -84.7 | 151.1 | 177.7 | 70.1 | -170.6 | 179.8 | 0 | 0 | 111.3 | E5 K301 T327 V328 I329 | E5-E7 PolarHBondContact O-N 3.26Å; E7-K301 VanDerWaalsContact CB-NZ 3.28Å; E7-K301 IonicContact OE1-NZ 2.84Å; E7-K301 VanDerWaalsContact OE2-CE 3.25Å; E7-K301 WeakPolarHBondContact OE2-CE 3.39Å; E7-K301 IonicContact OE2-NZ 3.7Å; E7-K301 PolarHBondContact OE2-NZ 3.46Å; E7-T327 HydrophobicContact CB-CG2 3.78Å; E7-T327 HydrophobicContact CG-CG2 4.14Å; E7-V328 WeakPolarHBondContact CA-O 3.14Å; E7-I329 HydrophobicContact CB-CG1 3.84Å | ||
| 8 | F | 86.1 | Confident | 69.3 | Low | 43 Ų | 43 | 59.8 Ų | 59.8 | 19% | 0.189 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 156.7 | 169.3 | 57.7 | -88.4 | 0 | 0 | 0 | 110.2 | L10 V48 Q51 V328 P330 | F8-L10 HydrophobicContact CE2-CD2 4.26Å; F8-V48 HydrophobicContact CE2-CG1 3.85Å; F8-V48 HydrophobicContact CZ-CG1 3.59Å; F8-Q51 HydrophobicContact CD2-CG 3.62Å; F8-Q51 HydrophobicContact CE2-CG 3.94Å; F8-Q51 HydrophobicContact CG-CG 4.43Å; F8-V328 HydrophobicContact CD2-CB 4.17Å; F8-V328 HydrophobicContact CE1-CB 4.2Å; F8-V328 HydrophobicContact CE1-CG1 4.17Å; F8-V328 HydrophobicContact CE2-CB 3.69Å; F8-V328 HydrophobicContact CE2-CG1 4.12Å; F8-V328 HydrophobicContact CE2-CG2 4.01Å; F8-V328 HydrophobicContact CZ-CB 3.7Å; F8-V328 HydrophobicContact CZ-CG1 3.66Å; F8-V328 HydrophobicContact CZ-CG2 4.41Å; F8-V328 PolarHBondContact N-O 3.33Å; F8-V328 PolarHBondContact O-N 3.28Å; F8-P330 HydrophobicContact CE1-CG 3.89Å |
| 9 | T | 84.8 | Confident | 68.2 | Low | 74 Ų | 74 | 61.7 Ų | 61.7 | 45% | 0.454 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 132.3 | -178.8 | 47.2 | 0 | 0 | 0 | 0 | 109.8 | L326 | T9-L326 WeakPolarHBondContact CA-O 3.31Å |
| 10 | L | 78.1 | Confident | 67.4 | Low | 2 Ų | 2 | 67 Ų | 67 | 1% | 0.01 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 134.3 | 167.6 | -63.8 | 171.9 | 0 | 0 | 0 | 107.7 | F8 Y46 V48 Q51 F319 L326 V328 | F8-L10 HydrophobicContact CE2-CD2 4.26Å; L10-Y46 HydrophobicContact CB-CD1 4.26Å; L10-Y46 HydrophobicContact CB-CE1 4.21Å; L10-Y46 HydrophobicContact CD1-CG 4.29Å; L10-Y46 HydrophobicContact CD2-CD1 4.34Å; L10-V48 HydrophobicContact CD1-CG2 4.17Å; L10-V48 HydrophobicContact CD2-CG2 4.36Å; L10-Q51 HydrophobicContact CD2-CB 4.46Å; L10-F319 HydrophobicContact CD1-CE1 4.33Å; L10-L326 HydrophobicContact CD1-CD2 3.82Å; L10-L326 HydrophobicContact CD1-CG 4.3Å; L10-L326 PolarHBondContact N-O 2.68Å; L10-V328 HydrophobicContact CD1-CG2 3.55Å; L10-V328 HydrophobicContact CD2-CG2 4.39Å; L10-V328 HydrophobicContact CG-CG2 3.7Å |
| 11 | S | 58.4 | Low | 67.3 | Low | 45 Ų | 45 | 63.9 Ų | 63.9 | 32% | 0.315 | 38% | 0.377 | S | S | . | . | trans | -31.6 | 146.2 | -165.8 | 64.3 | 0 | 0 | 0 | 0 | 117.5 | V13 Y46 | S11-V13 PolarHBondContact O-N 3.26Å; S11-Y46 WeakPolarHBondContact OG-CE1 3.44Å; S11-Y46 PolarHBondContact OG-OH 3.37Å | ||
| 12 | S | 50.1 | Low | 67.6 | Low | 107 Ų | 107 | 61.2 Ų | 61.2 | 75% | 0.748 | 36% | 0.364 | S | S | * | . | trans | -59.3 | 45.6 | 178.9 | 178.1 | 0 | 0 | 0 | 0 | 116.4 | V14 | S12-V14 PolarHBondContact O-N 3.03Š| ||
| 13 | V | 51.8 | Low | 67.7 | Low | 63 Ų | 63 | 63.3 Ų | 63.3 | 38% | 0.382 | 37% | 0.374 | S | S | . | . | trans | -69.6 | 122 | 158.2 | -179.4 | 0 | 0 | 0 | 0 | 105.7 | S11 L15 I44 | S11-V13 PolarHBondContact O-N 3.26Å; V13-L15 VanDerWaalsContact C-N 3.26Å; V13-L15 PolarHBondContact O-N 2.73Å; V13-I44 HydrophobicContact CB-CD1 4.3Å; V13-I44 HydrophobicContact CG1-CD1 4.02Å; V13-I44 HydrophobicContact CG2-CD1 4.21Å | ||
| 14 | V | 52.5 | Low | 67.8 | Low | 109 Ų | 109 | 61.2 Ų | 61.2 | 66% | 0.661 | 36% | 0.357 | S | S | * | . | trans | -64.6 | 92.5 | 179.6 | -179 | 0 | 0 | 0 | 0 | 107.6 | S12 | S12-V14 PolarHBondContact O-N 3.03Š| ||
| 15 | L | 57.5 | Low | 67.9 | Low | 8 Ų | 8 | 59.8 Ų | 59.8 | 4% | 0.042 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 143.9 | 170.3 | -65.5 | 173.6 | 0 | 0 | 0 | 107.8 | V13 A17 D38 L321 L326 | V13-L15 VanDerWaalsContact C-N 3.26Å; V13-L15 PolarHBondContact O-N 2.73Å; L15-A17 PolarHBondContact O-N 3.43Å; L15-D38 HydrophobicContact CD2-CB 3.91Å; L15-D38 WeakPolarHBondContact CD2-OD1 3.41Å; L15-L321 HydrophobicContact CB-CD1 4.32Å; L15-L321 HydrophobicContact CD1-CD1 3.52Å; L15-L326 HydrophobicContact CD1-CB 4.12Å |
| 16 | S | 52.9 | Low | 68.1 | Low | 49 Ų | 49 | 57.3 Ų | 57.3 | 34% | 0.343 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 124.5 | -179.4 | -59.2 | 0 | 0 | 0 | 0 | 108.4 | G18 G21 D38 | S16-G18 PolarHBondContact O-N 2.95Å; S16-G21 WeakPolarHBondContact O-CA 3.34Å; S16-D38 PolarHBondContact N-OD1 3.14Å; S16-D38 PolarHBondContact OG-OD2 2.8Å |
| 17 | A | 44.5 | Very low | 68.3 | Low | 76 Ų | 76 | 50.7 Ų | 50.7 | 63% | 0.628 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -75.7 | 125.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | L15 | L15-A17 PolarHBondContact O-N 3.43Š|
| 18 | G | 49.8 | Very low | 68.4 | Low | 31 Ų | 31 | 47 Ų | 47 | 32% | 0.32 | 29% | 0.29 | S | S | . | . | S | Bend | trans | 137.8 | 169.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | S16 E20 G21 | S16-G18 PolarHBondContact O-N 2.95Å; G18-E20 PolarHBondContact O-N 3.37Å; G18-G21 PolarHBondContact O-N 3.46Å |
| 19 | P | 48.2 | Very low | 68.2 | Low | 96 Ų | 96 | 47.3 Ų | 47.3 | 62% | 0.623 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -19.7 | 175.5 | 24.6 | -32.7 | 0 | 0 | 0 | 113 | Q310 | P19-Q310 PolarHBondContact O-NE2 3.33Š|
| 20 | E | 51.7 | Low | 68.1 | Low | 167 Ų | 167 | 49.4 Ų | 49.4 | 78% | 0.78 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | 1.2 | 172.9 | -63.9 | -162.7 | 163.2 | 0 | 0 | 113.2 | G18 S39 | G18-E20 PolarHBondContact O-N 3.37Å; E20-S39 WeakPolarHBondContact O-CB 3.37Å; E20-S39 PolarHBondContact O-OG 3.36Å |
| 21 | G | 65 | Low | 68.2 | Low | 2 Ų | 2 | 54.7 Ų | 54.7 | 2% | 0.021 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -76.5 | -36.6 | -168.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | S16 G18 S39 | S16-G21 WeakPolarHBondContact O-CA 3.34Å; G18-G21 PolarHBondContact O-N 3.46Å; G21-S39 VanDerWaalsContact C-OG 3.25Å; G21-S39 VanDerWaalsContact CA-OG 3.31Å; G21-S39 WeakPolarHBondContact CA-OG 3.44Å; G21-S39 WeakPolarHBondContact O-CB 3.49Å; G21-S39 PolarHBondContact O-N 3.07Å; G21-S39 PolarHBondContact O-OG 3.31Å |
| 22 | L | 78.4 | Confident | 69.5 | Low | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 123.9 | -179.4 | -173.5 | 67.7 | 0 | 0 | 0 | 108.8 | V25 V36 T37 Q310 W312 L326 | L22-V25 HydrophobicContact CD2-CG2 4.21Å; L22-V36 HydrophobicContact CD1-CG1 3.47Å; L22-V36 VanDerWaalsContact CD1-CG1 3.47Å; L22-T37 WeakPolarHBondContact CD1-O 3.48Å; L22-Q310 PolarHBondContact O-OE1 2.75Å; L22-W312 HydrophobicContact CB-CH2 4.25Å; L22-W312 HydrophobicContact CD2-CE3 4.49Å; L22-W312 HydrophobicContact CD2-CH2 3.46Å; L22-W312 VanDerWaalsContact CD2-CH2 3.46Å; L22-W312 HydrophobicContact CD2-CZ2 4.28Å; L22-W312 HydrophobicContact CD2-CZ3 3.59Å; L22-W312 HydrophobicContact CG-CH2 3.95Å; L22-W312 HydrophobicContact CG-CZ2 4.44Å; L22-L326 HydrophobicContact CD2-CD1 4Å |
| 23 | L | 81.3 | Confident | 71.4 | Confident | 49 Ų | 49 | 50.4 Ų | 50.4 | 26% | 0.257 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | -36.8 | 179.7 | -69 | 173.2 | 0 | 0 | 0 | 111.4 | T37 I65 P68 | L23-T37 HydrophobicContact CB-CG2 4.11Å; L23-T37 HydrophobicContact CD1-CG2 3.94Å; L23-T37 PolarHBondContact N-O 3.27Å; L23-I65 HydrophobicContact CD1-CB 4.09Å; L23-I65 HydrophobicContact CD1-CG2 3.72Å; L23-I65 VanDerWaalsContact CD1-O 3.24Å; L23-I65 WeakPolarHBondContact CD1-O 3.43Å; L23-P68 HydrophobicContact CB-CG 4.39Å; L23-P68 WeakPolarHBondContact O-CG 3.46Å |
| 24 | G | 86.4 | Confident | 73.3 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 172.2 | 164.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | T37 | G24-T37 PolarHBondContact O-N 3.1Å |
| 25 | V | 90.1 | Very high | 75.1 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 132.7 | 166.7 | -176.4 | 0 | 0 | 0 | 0 | 107 | L22 F34 L35 V36 W312 Y314 F319 L326 | L22-V25 HydrophobicContact CD2-CG2 4.21Å; V25-F34 HydrophobicContact CG1-CB 4.19Å; V25-F34 HydrophobicContact CG1-CD1 4.38Å; V25-L35 CarbonylContact C-O 3.55Å; V25-L35 VanDerWaalsContact CA-O 3.3Å; V25-L35 WeakPolarHBondContact CA-O 3.41Å; V25-V36 HydrophobicContact CG1-CG2 4.39Å; V25-V36 HydrophobicContact CG2-CG2 4.31Å; V25-W312 HydrophobicContact CB-CB 4.29Å; V25-W312 HydrophobicContact CB-CD2 4.31Å; V25-W312 HydrophobicContact CB-CG 4.13Å; V25-W312 HydrophobicContact CG2-CD2 4.09Å; V25-W312 HydrophobicContact CG2-CE3 4Å; V25-W312 HydrophobicContact CG2-CG 4.41Å; V25-Y314 HydrophobicContact CG1-CE2 4.46Å; V25-Y314 WeakPolarHBondContact O-CE2 3.47Å; V25-Y314 PolarHBondContact O-OH 3.35Å; V25-F319 HydrophobicContact CG1-CD1 4.06Å; V25-F319 HydrophobicContact CG1-CD2 4.37Å; V25-F319 HydrophobicContact CG1-CE1 4.31Å; V25-F319 HydrophobicContact CG1-CG 4.1Å; V25-F319 HydrophobicContact CG2-CB 4.2Å; V25-L326 HydrophobicContact CG2-CD1 4.29Å; V25-L326 HydrophobicContact CG2-CD2 4.29Å |
| 26 | E | 90.6 | Very high | 76.7 | Confident | 24 Ų | 24 | 42 Ų | 42 | 11% | 0.112 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 150.9 | 179.2 | -66.7 | -68.6 | 172.7 | 0 | 0 | 110.8 | F34 L35 P68 A69 V70 R111 Y314 | E26-F34 CarbonylContact O-C 3.59Å; E26-F34 WeakPolarHBondContact O-CA 3.28Å; E26-L35 PolarHBondContact N-O 3.5Å; E26-L35 PolarHBondContact O-N 3.07Å; E26-P68 HydrophobicContact CG-CB 4.02Å; E26-A69 WeakPolarHBondContact CB-O 3.45Å; E26-A69 WeakPolarHBondContact CG-O 3.4Å; E26-V70 HydrophobicContact CG-CG1 4.08Å; E26-R111 IonicContact OE1-NH2 2.77Å; E26-Y314 PolarHBondContact OE2-OH 3.19Å |
| 27 | Q | 89.6 | Confident | 78.4 | Confident | 41 Ų | 41 | 39.7 Ų | 39.7 | 19% | 0.192 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 141.3 | 178.6 | -166.2 | 177.5 | 33.3 | 0 | 0 | 111.7 | F34 Y314 | Q27-F34 HydrophobicContact CB-CE1 4.36Å; Q27-F34 HydrophobicContact CG-CE1 4.22Å; Q27-Y314 HydrophobicContact CB-CD1 3.96Å; Q27-Y314 HydrophobicContact CB-CE1 4.24Å |
| 28 | S | 88 | Confident | 80.3 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -95.1 | -170.3 | 175.6 | -161.7 | 0 | 0 | 0 | 0 | 112.3 | K30 H33 L45 F73 Y78 | S28-K30 PolarHBondContact O-N 2.69Å; S28-H33 WeakPolarHBondContact CB-O 3.33Å; S28-H33 PolarHBondContact N-O 2.97Å; S28-L45 WeakPolarHBondContact OG-CD1 3.47Å; S28-F73 VanDerWaalsContact O-CE1 3.29Å; S28-F73 WeakPolarHBondContact O-CE1 3.31Å; S28-Y78 WeakPolarHBondContact OG-CE1 3.31Å; S28-Y78 PolarHBondContact OG-OH 2.84Å; S28-Y78 VanDerWaalsContact OG-OH 3.1Å | ||
| 29 | D | 81.6 | Confident | 81.1 | Confident | 50 Ų | 50 | 36.3 Ų | 36.3 | 27% | 0.267 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -59.3 | -29 | -179.5 | 69.6 | -42.3 | 0 | 0 | 0 | 113.7 | ||
| 30 | K | 83.7 | Confident | 82 | Confident | 118 Ų | 118 | 33 Ų | 33 | 51% | 0.513 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -108.4 | 148.7 | 176.9 | -56 | -174.3 | -165.5 | 172.1 | 0 | 111.4 | S28 D32 H33 | S28-K30 PolarHBondContact O-N 2.69Å; K30-D32 PolarHBondContact O-N 2.78Å; K30-H33 HydrophobicContact CB-CB 4.1Å; K30-H33 PolarHBondContact O-N 2.65Å |
| 31 | T | 79.6 | Confident | 83.4 | Confident | 113 Ų | 113 | 29.7 Ų | 29.7 | 69% | 0.693 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | -30.3 | -174.2 | 48.7 | 0 | 0 | 0 | 0 | 114.6 | F34 | T31-F34 WeakPolarHBondContact O-CZ 3.3Š|
| 32 | D | 86.4 | Confident | 84.5 | Confident | 40 Ų | 40 | 31 Ų | 31 | 21% | 0.214 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 7.7 | -178.6 | -177.3 | 47.2 | 0 | 0 | 0 | 113.1 | K30 K47 V48 S49 | K30-D32 PolarHBondContact O-N 2.78Å; D32-K47 WeakPolarHBondContact O-CA 3.1Å; D32-K47 WeakPolarHBondContact OD2-CE 3.24Å; D32-K47 WeakPolarHBondContact OD2-CG 3.32Å; D32-V48 PolarHBondContact O-N 3.18Å; D32-S49 PolarHBondContact OD1-N 2.73Å; D32-S49 VanDerWaalsContact OD2-CB 3.24Å; D32-S49 WeakPolarHBondContact OD2-CB 3.25Å; D32-S49 PolarHBondContact OD2-N 3.37Å; D32-S49 PolarHBondContact OD2-OG 3.46Å |
| 33 | H | 90.3 | Very high | 85 | Confident | 21 Ų | 21 | 31 Ų | 31 | 10% | 0.097 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 129.1 | -179.4 | -73.2 | -166.9 | 0 | 0 | 0 | 110.7 | S28 K30 L45 Y46 L54 | S28-H33 WeakPolarHBondContact CB-O 3.33Å; S28-H33 PolarHBondContact N-O 2.97Å; K30-H33 HydrophobicContact CB-CB 4.1Å; K30-H33 PolarHBondContact O-N 2.65Å; H33-L45 HydrophobicContact CB-CD1 4.1Å; H33-Y46 CarbonylContact C-O 3.54Å; H33-Y46 VanDerWaalsContact CA-O 3.27Å; H33-Y46 WeakPolarHBondContact CA-O 3.34Å; H33-L54 WeakPolarHBondContact CE1-CD1 3.43Å; H33-L54 WeakPolarHBondContact NE2-CD1 3.25Å |
| 34 | F | 91 | Very high | 85.4 | Confident | 3 Ų | 3 | 28.9 Ų | 28.9 | 1% | 0.013 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 134.2 | -174.7 | -64.4 | -85.6 | 0 | 0 | 0 | 111.8 | V25 E26 Q27 T31 L45 Y46 V48 Y314 F319 | V25-F34 HydrophobicContact CG1-CB 4.19Å; V25-F34 HydrophobicContact CG1-CD1 4.38Å; E26-F34 CarbonylContact O-C 3.59Å; E26-F34 WeakPolarHBondContact O-CA 3.28Å; Q27-F34 HydrophobicContact CB-CE1 4.36Å; Q27-F34 HydrophobicContact CG-CE1 4.22Å; T31-F34 WeakPolarHBondContact O-CZ 3.3Å; F34-L45 CarbonylContact O-C 3.59Å; F34-L45 WeakPolarHBondContact O-CA 3.48Å; F34-Y46 PolarHBondContact N-O 3.41Å; F34-Y46 PolarHBondContact O-N 2.99Å; F34-V48 HydrophobicContact CD2-CB 4.07Å; F34-V48 HydrophobicContact CD2-CG2 3.27Å; F34-V48 HydrophobicContact CE2-CB 4.15Å; F34-V48 HydrophobicContact CE2-CG2 3.76Å; F34-V48 HydrophobicContact CG-CG2 4.17Å; F34-Y314 HydrophobicContact CD1-CD2 4.36Å; F34-Y314 HydrophobicContact CD1-CG 4.41Å; F34-Y314 VanDerWaalsContact CE1-CB 3.43Å; F34-Y314 HydrophobicContact CE1-CD2 4.2Å; F34-Y314 AromaticContact CE1-CG 3.87Å; F34-Y314 HydrophobicContact CE1-CG 3.87Å; F34-F319 HydrophobicContact CD1-CE2 4.25Å; F34-F319 AromaticContact CD1-CZ 3.87Å; F34-F319 HydrophobicContact CD1-CZ 3.87Å; F34-F319 HydrophobicContact CD2-CE1 4.46Å; F34-F319 AromaticContact CD2-CZ 3.94Å; F34-F319 HydrophobicContact CD2-CZ 3.94Å; F34-F319 HydrophobicContact CE1-CE2 4.11Å; F34-F319 AromaticContact CE1-CZ 3.95Å; F34-F319 HydrophobicContact CE1-CZ 3.95Å; F34-F319 AromaticContact CE2-CZ 3.96Å; F34-F319 HydrophobicContact CE2-CZ 3.96Å; F34-F319 HydrophobicContact CG-CE1 4.31Å; F34-F319 AromaticContact CG-CZ 3.86Å; F34-F319 HydrophobicContact CG-CZ 3.86Å; F34-F319 HydrophobicContact CZ-CE2 4.34Å; F34-F319 AromaticContact CZ-CZ 3.96Å; F34-F319 HydrophobicContact CZ-CZ 3.96Å |
| 35 | L | 91.1 | Very high | 85.6 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 122 | 173.8 | -68.6 | 167 | 0 | 0 | 0 | 109 | V25 E26 V43 I44 L45 C71 Y78 | V25-L35 CarbonylContact C-O 3.55Å; V25-L35 VanDerWaalsContact CA-O 3.3Å; V25-L35 WeakPolarHBondContact CA-O 3.41Å; E26-L35 PolarHBondContact N-O 3.5Å; E26-L35 PolarHBondContact O-N 3.07Å; L35-V43 HydrophobicContact CD2-CG1 3.94Å; L35-I44 WeakPolarHBondContact CA-O 3.5Å; L35-L45 HydrophobicContact CD2-CB 4.11Å; L35-L45 HydrophobicContact CD2-CD1 3.81Å; L35-L45 HydrophobicContact CG-CD1 4.15Å; L35-C71 HydrophobicContact CD1-CB 4.39Å; L35-Y78 HydrophobicContact CD1-CD1 3.63Å; L35-Y78 HydrophobicContact CD1-CE1 4.03Å; L35-Y78 HydrophobicContact CD1-CG 4.4Å; L35-Y78 HydrophobicContact CD2-CD1 4.23Å; L35-Y78 HydrophobicContact CD2-CE1 4.31Å; L35-Y78 HydrophobicContact CG-CD1 4.44Å |
| 36 | V | 90.1 | Very high | 85.6 | Confident | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 117.6 | 176.9 | 178.8 | 0 | 0 | 0 | 0 | 107.4 | L22 V25 V43 I44 Y46 L326 | L22-V36 HydrophobicContact CD1-CG1 3.47Å; L22-V36 VanDerWaalsContact CD1-CG1 3.47Å; V25-V36 HydrophobicContact CG1-CG2 4.39Å; V25-V36 HydrophobicContact CG2-CG2 4.31Å; V36-V43 WeakPolarHBondContact O-CA 3.26Å; V36-I44 PolarHBondContact N-O 3.38Å; V36-I44 PolarHBondContact O-N 3.42Å; V36-Y46 HydrophobicContact CB-CD2 4.02Å; V36-Y46 HydrophobicContact CB-CE2 4Å; V36-Y46 HydrophobicContact CG2-CD2 3.52Å; V36-Y46 HydrophobicContact CG2-CE2 3.9Å; V36-L326 HydrophobicContact CB-CD2 4.39Å; V36-L326 HydrophobicContact CG1-CD2 3.89Å; V36-L326 HydrophobicContact CG2-CD2 3.53Å |
| 37 | T | 89 | Confident | 85.6 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 107.1 | -178 | -52.4 | 0 | 0 | 0 | 0 | 109.9 | L22 L23 G24 V43 I65 A69 | L22-T37 WeakPolarHBondContact CD1-O 3.48Å; L23-T37 HydrophobicContact CB-CG2 4.11Å; L23-T37 HydrophobicContact CD1-CG2 3.94Å; L23-T37 PolarHBondContact N-O 3.27Å; G24-T37 PolarHBondContact O-N 3.1Å; T37-V43 HydrophobicContact CG2-CG2 4.27Å; T37-I65 HydrophobicContact CG2-CB 4.5Å; T37-I65 HydrophobicContact CG2-CD1 4.31Å; T37-I65 HydrophobicContact CG2-CG2 3.67Å; T37-A69 PolarHBondContact OG1-N 3.39Å |
| 38 | D | 84.4 | Confident | 85.4 | Confident | 12 Ų | 12 | 28.9 Ų | 28.9 | 6% | 0.064 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 139.2 | 172.9 | -177.5 | 79.4 | 0 | 0 | 0 | 109.8 | L15 S16 G40 T42 | L15-D38 HydrophobicContact CD2-CB 3.91Å; L15-D38 WeakPolarHBondContact CD2-OD1 3.41Å; S16-D38 PolarHBondContact N-OD1 3.14Å; S16-D38 PolarHBondContact OG-OD2 2.8Å; D38-G40 PolarHBondContact O-N 3.44Å; D38-G40 VanDerWaalsContact O-N 3.15Å; D38-G40 PolarHBondContact OD2-N 3.09Å; D38-T42 PolarHBondContact N-O 3.16Å |
| 39 | S | 65.6 | Low | 85.3 | Confident | 25 Ų | 25 | 32.4 Ų | 32.4 | 18% | 0.175 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -71.9 | -5.1 | -173.7 | 68.9 | 0 | 0 | 0 | 0 | 115.2 | E20 G21 | E20-S39 WeakPolarHBondContact O-CB 3.37Å; E20-S39 PolarHBondContact O-OG 3.36Å; G21-S39 VanDerWaalsContact C-OG 3.25Å; G21-S39 VanDerWaalsContact CA-OG 3.31Å; G21-S39 WeakPolarHBondContact CA-OG 3.44Å; G21-S39 WeakPolarHBondContact O-CB 3.49Å; G21-S39 PolarHBondContact O-N 3.07Å; G21-S39 PolarHBondContact O-OG 3.31Å |
| 40 | G | 68.2 | Low | 85.4 | Confident | 25 Ų | 25 | 33.7 Ų | 33.7 | 26% | 0.258 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -73 | -74.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | D38 | D38-G40 PolarHBondContact O-N 3.44Å; D38-G40 VanDerWaalsContact O-N 3.15Å; D38-G40 PolarHBondContact OD2-N 3.09Å |
| 41 | R | 80.8 | Confident | 85.5 | Confident | 98 Ų | 98 | 32.5 Ų | 32.5 | 37% | 0.37 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -160.3 | -6.7 | -165.1 | -62.6 | -169.6 | -178.7 | 128.6 | 10 | 115.9 | S58 V59 Q63 I65 | R41-S58 VanDerWaalsContact O-CA 3.28Å; R41-S58 WeakPolarHBondContact O-CA 3.44Å; R41-V59 HydrophobicContact CB-CG2 3.8Å; R41-V59 HydrophobicContact CG-CG2 4.02Å; R41-V59 PolarHBondContact O-N 3.4Å; R41-Q63 PolarHBondContact NE-O 2.95Å; R41-I65 VanDerWaalsContact C-CD1 3.46Å; R41-I65 WeakPolarHBondContact O-CD1 3.36Å |
| 42 | T | 87.4 | Confident | 85.8 | Confident | 31 Ų | 31 | 33.5 Ų | 33.5 | 19% | 0.19 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 135.4 | -160.1 | 65.5 | 0 | 0 | 0 | 0 | 112.9 | D38 W57 S58 | D38-T42 PolarHBondContact N-O 3.16Å; T42-W57 CarbonylContact C-O 3.6Å; T42-W57 WeakPolarHBondContact CA-O 3.35Å; T42-S58 WeakPolarHBondContact CG2-OG 3.29Å |
| 43 | V | 90.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 127.7 | 168.6 | -174.3 | 0 | 0 | 0 | 0 | 107.8 | L35 V36 T37 S56 W57 I65 A69 V80 W90 | L35-V43 HydrophobicContact CD2-CG1 3.94Å; V36-V43 WeakPolarHBondContact O-CA 3.26Å; T37-V43 HydrophobicContact CG2-CG2 4.27Å; V43-S56 CarbonylContact O-C 3.13Å; V43-S56 WeakPolarHBondContact O-CA 3.17Å; V43-W57 PolarHBondContact N-O 3.41Å; V43-W57 PolarHBondContact O-N 3.29Å; V43-I65 HydrophobicContact CG2-CD1 3.74Å; V43-A69 HydrophobicContact CB-CB 4.41Å; V43-A69 HydrophobicContact CG1-CB 3.66Å; V43-A69 HydrophobicContact CG2-CB 3.79Å; V43-V80 HydrophobicContact CG2-CG2 4.43Å; V43-W90 HydrophobicContact CB-CZ2 4.33Å; V43-W90 HydrophobicContact CG1-CZ2 4.14Å; V43-W90 HydrophobicContact CG2-CH2 4.32Å; V43-W90 HydrophobicContact CG2-CZ2 4.45Å |
| 44 | I | 89.7 | Confident | 85.6 | Confident | 4 Ų | 4 | 37.9 Ų | 37.9 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 128.1 | -179.5 | -51.9 | 173.1 | 0 | 0 | 0 | 108.7 | V13 L35 V36 Y46 P53 G55 | V13-I44 HydrophobicContact CB-CD1 4.3Å; V13-I44 HydrophobicContact CG1-CD1 4.02Å; V13-I44 HydrophobicContact CG2-CD1 4.21Å; L35-I44 WeakPolarHBondContact CA-O 3.5Å; V36-I44 PolarHBondContact N-O 3.38Å; V36-I44 PolarHBondContact O-N 3.42Å; I44-Y46 HydrophobicContact CB-CD2 4.23Å; I44-Y46 HydrophobicContact CB-CE2 3.69Å; I44-Y46 HydrophobicContact CD1-CE2 4.41Å; I44-Y46 HydrophobicContact CG2-CD2 3.82Å; I44-Y46 HydrophobicContact CG2-CE1 4.28Å; I44-Y46 HydrophobicContact CG2-CE2 3.33Å; I44-P53 HydrophobicContact CG2-CB 3.83Å; I44-G55 CarbonylContact C-O 3.52Å; I44-G55 WeakPolarHBondContact CA-O 3.34Å; I44-G55 WeakPolarHBondContact CG2-O 3.42Å |
| 45 | L | 90.8 | Very high | 85.5 | Confident | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 120.3 | 172.1 | -179.9 | 68.1 | 0 | 0 | 0 | 109.1 | S28 H33 F34 L35 P53 L54 G55 W57 N92 | S28-L45 WeakPolarHBondContact OG-CD1 3.47Å; H33-L45 HydrophobicContact CB-CD1 4.1Å; F34-L45 CarbonylContact O-C 3.59Å; F34-L45 WeakPolarHBondContact O-CA 3.48Å; L35-L45 HydrophobicContact CD2-CB 4.11Å; L35-L45 HydrophobicContact CD2-CD1 3.81Å; L35-L45 HydrophobicContact CG-CD1 4.15Å; L45-P53 CarbonylContact O-C 3.59Å; L45-P53 WeakPolarHBondContact O-CA 3.49Å; L45-L54 HydrophobicContact CD2-CB 4.2Å; L45-L54 HydrophobicContact CD2-CD1 4.31Å; L45-L54 HydrophobicContact CG-CB 4.31Å; L45-L54 HydrophobicContact CG-CD1 4.47Å; L45-L54 PolarHBondContact O-N 2.66Å; L45-G55 PolarHBondContact N-O 2.96Å; L45-G55 PolarHBondContact O-N 2.89Å; L45-W57 HydrophobicContact CB-CH2 4.09Å; L45-W57 HydrophobicContact CB-CZ3 3.72Å; L45-W57 HydrophobicContact CD2-CH2 4.34Å; L45-N92 WeakPolarHBondContact CD2-OD1 3.39Å |
| 46 | Y | 89.1 | Confident | 85.4 | Confident | 7 Ų | 7 | 41.9 Ų | 41.9 | 3% | 0.027 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 143.1 | 176.9 | -76.3 | -81.5 | 0 | 0 | 0 | 111.4 | L10 S11 H33 F34 V36 I44 P53 | L10-Y46 HydrophobicContact CB-CD1 4.26Å; L10-Y46 HydrophobicContact CB-CE1 4.21Å; L10-Y46 HydrophobicContact CD1-CG 4.29Å; L10-Y46 HydrophobicContact CD2-CD1 4.34Å; S11-Y46 WeakPolarHBondContact OG-CE1 3.44Å; S11-Y46 PolarHBondContact OG-OH 3.37Å; H33-Y46 CarbonylContact C-O 3.54Å; H33-Y46 VanDerWaalsContact CA-O 3.27Å; H33-Y46 WeakPolarHBondContact CA-O 3.34Å; F34-Y46 PolarHBondContact N-O 3.41Å; F34-Y46 PolarHBondContact O-N 2.99Å; V36-Y46 HydrophobicContact CB-CD2 4.02Å; V36-Y46 HydrophobicContact CB-CE2 4Å; V36-Y46 HydrophobicContact CG2-CD2 3.52Å; V36-Y46 HydrophobicContact CG2-CE2 3.9Å; I44-Y46 HydrophobicContact CB-CD2 4.23Å; I44-Y46 HydrophobicContact CB-CE2 3.69Å; I44-Y46 HydrophobicContact CD1-CE2 4.41Å; I44-Y46 HydrophobicContact CG2-CD2 3.82Å; I44-Y46 HydrophobicContact CG2-CE1 4.28Å; I44-Y46 HydrophobicContact CG2-CE2 3.33Å; Y46-P53 HydrophobicContact CD1-CB 4.08Å; Y46-P53 HydrophobicContact CE1-CB 3.75Å; Y46-P53 HydrophobicContact CE1-CG 4.25Å |
| 47 | K | 90.1 | Very high | 85.4 | Confident | 54 Ų | 54 | 42.4 Ų | 42.4 | 24% | 0.235 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 112.5 | 158.8 | -175.7 | 175.7 | 169.2 | -155.5 | 0 | 108.1 | D32 S49 D50 Q51 K52 L54 | D32-K47 WeakPolarHBondContact O-CA 3.1Å; D32-K47 WeakPolarHBondContact OD2-CE 3.24Å; D32-K47 WeakPolarHBondContact OD2-CG 3.32Å; K47-S49 WeakPolarHBondContact CE-OG 3.46Å; K47-D50 HydrophobicContact CB-CB 4.49Å; K47-D50 HydrophobicContact CD-CB 4.11Å; K47-D50 WeakPolarHBondContact CD-OD2 3.43Å; K47-D50 VanDerWaalsContact CE-CG 3.49Å; K47-D50 WeakPolarHBondContact CE-OD2 3.31Å; K47-D50 HydrophobicContact CG-CB 4.25Å; K47-D50 IonicContact NZ-OD1 3.65Å; K47-D50 PolarHBondContact NZ-OD1 2.95Å; K47-D50 IonicContact NZ-OD2 3.73Å; K47-D50 PolarHBondContact NZ-OD2 2.81Å; K47-D50 PolarHBondContact O-N 2.77Å; K47-Q51 PolarHBondContact O-N 2.85Å; K47-Q51 VanDerWaalsContact O-N 3.12Å; K47-K52 PolarHBondContact N-O 2.86Å; K47-K52 PolarHBondContact O-N 2.9Å; K47-L54 HydrophobicContact CB-CD1 3.97Å; K47-L54 HydrophobicContact CB-CD2 4.22Å; K47-L54 HydrophobicContact CB-CG 4.03Å |
| 48 | V | 86.7 | Confident | 85.4 | Confident | 3 Ų | 3 | 45.1 Ų | 45.1 | 2% | 0.018 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -41.7 | -168.9 | 165.7 | 0 | 0 | 0 | 0 | 111.6 | F8 L10 D32 F34 D50 Q51 F319 V328 | F8-V48 HydrophobicContact CE2-CG1 3.85Å; F8-V48 HydrophobicContact CZ-CG1 3.59Å; L10-V48 HydrophobicContact CD1-CG2 4.17Å; L10-V48 HydrophobicContact CD2-CG2 4.36Å; D32-V48 PolarHBondContact O-N 3.18Å; F34-V48 HydrophobicContact CD2-CB 4.07Å; F34-V48 HydrophobicContact CD2-CG2 3.27Å; F34-V48 HydrophobicContact CE2-CB 4.15Å; F34-V48 HydrophobicContact CE2-CG2 3.76Å; F34-V48 HydrophobicContact CG-CG2 4.17Å; V48-D50 VanDerWaalsContact C-N 3.29Å; V48-D50 PolarHBondContact O-N 3.02Å; V48-Q51 PolarHBondContact O-N 3.28Å; V48-Q51 VanDerWaalsContact O-N 3.14Å; V48-F319 HydrophobicContact CG2-CE1 3.86Å; V48-F319 HydrophobicContact CG2-CZ 4.09Å; V48-V328 HydrophobicContact CG1-CG1 4.07Å |
| 49 | S | 85.1 | Confident | 85.6 | Confident | 73 Ų | 73 | 44.9 Ų | 44.9 | 51% | 0.51 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -35.3 | 176.9 | 62.2 | 0 | 0 | 0 | 0 | 114.4 | D32 K47 | D32-S49 PolarHBondContact OD1-N 2.73Å; D32-S49 VanDerWaalsContact OD2-CB 3.24Å; D32-S49 WeakPolarHBondContact OD2-CB 3.25Å; D32-S49 PolarHBondContact OD2-N 3.37Å; D32-S49 PolarHBondContact OD2-OG 3.46Å; K47-S49 WeakPolarHBondContact CE-OG 3.46Å |
| 50 | D | 84.3 | Confident | 86.6 | Confident | 78 Ų | 78 | 49.1 Ų | 49.1 | 42% | 0.417 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -6.4 | 179.9 | -70.1 | 1.5 | 0 | 0 | 0 | 112.9 | K47 V48 K52 | K47-D50 HydrophobicContact CB-CB 4.49Å; K47-D50 HydrophobicContact CD-CB 4.11Å; K47-D50 WeakPolarHBondContact CD-OD2 3.43Å; K47-D50 VanDerWaalsContact CE-CG 3.49Å; K47-D50 WeakPolarHBondContact CE-OD2 3.31Å; K47-D50 HydrophobicContact CG-CB 4.25Å; K47-D50 IonicContact NZ-OD1 3.65Å; K47-D50 PolarHBondContact NZ-OD1 2.95Å; K47-D50 IonicContact NZ-OD2 3.73Å; K47-D50 PolarHBondContact NZ-OD2 2.81Å; K47-D50 PolarHBondContact O-N 2.77Å; V48-D50 VanDerWaalsContact C-N 3.29Å; V48-D50 PolarHBondContact O-N 3.02Å; D50-K52 HydrophobicContact CB-CB 4.34Å; D50-K52 HydrophobicContact CB-CD 4.43Å; D50-K52 WeakPolarHBondContact O-CG 3.46Å; D50-K52 PolarHBondContact O-N 3.03Å |
| 51 | Q | 85.9 | Confident | 87.2 | Confident | 92 Ų | 92 | 56.4 Ų | 56.4 | 43% | 0.43 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 30.8 | -173.7 | -53.7 | 178.9 | 14.6 | 0 | 0 | 113.9 | F8 L10 K47 V48 | F8-Q51 HydrophobicContact CD2-CG 3.62Å; F8-Q51 HydrophobicContact CE2-CG 3.94Å; F8-Q51 HydrophobicContact CG-CG 4.43Å; L10-Q51 HydrophobicContact CD2-CB 4.46Å; K47-Q51 PolarHBondContact O-N 2.85Å; K47-Q51 VanDerWaalsContact O-N 3.12Å; V48-Q51 PolarHBondContact O-N 3.28Å; V48-Q51 VanDerWaalsContact O-N 3.14Å |
| 52 | K | 84.6 | Confident | 87.3 | Confident | 134 Ų | 134 | 54.7 Ų | 54.7 | 58% | 0.583 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 138.4 | -172.4 | -79 | 172.6 | -173.7 | 176 | 0 | 112.8 | K47 D50 | K47-K52 PolarHBondContact N-O 2.86Å; K47-K52 PolarHBondContact O-N 2.9Å; D50-K52 HydrophobicContact CB-CB 4.34Å; D50-K52 HydrophobicContact CB-CD 4.43Å; D50-K52 WeakPolarHBondContact O-CG 3.46Å; D50-K52 PolarHBondContact O-N 3.03Å |
| 53 | P | 87.3 | Confident | 87.2 | Confident | 64 Ų | 64 | 54.9 Ų | 54.9 | 42% | 0.416 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 131 | 166.3 | 30 | -31.7 | 0 | 0 | 0 | 109.6 | I44 L45 Y46 | I44-P53 HydrophobicContact CG2-CB 3.83Å; L45-P53 CarbonylContact O-C 3.59Å; L45-P53 WeakPolarHBondContact O-CA 3.49Å; Y46-P53 HydrophobicContact CD1-CB 4.08Å; Y46-P53 HydrophobicContact CE1-CB 3.75Å; Y46-P53 HydrophobicContact CE1-CG 4.25Å |
| 54 | L | 87.3 | Confident | 87.1 | Confident | 90 Ų | 90 | 58 Ų | 58 | 47% | 0.471 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | -32.2 | 174.8 | -62.4 | -177.4 | 0 | 0 | 0 | 112.2 | H33 L45 K47 | H33-L54 WeakPolarHBondContact CE1-CD1 3.43Å; H33-L54 WeakPolarHBondContact NE2-CD1 3.25Å; L45-L54 HydrophobicContact CD2-CB 4.2Å; L45-L54 HydrophobicContact CD2-CD1 4.31Å; L45-L54 HydrophobicContact CG-CB 4.31Å; L45-L54 HydrophobicContact CG-CD1 4.47Å; L45-L54 PolarHBondContact O-N 2.66Å; K47-L54 HydrophobicContact CB-CD1 3.97Å; K47-L54 HydrophobicContact CB-CD2 4.22Å; K47-L54 HydrophobicContact CB-CG 4.03Å |
| 55 | G | 86.9 | Confident | 87.1 | Confident | 16 Ų | 16 | 58 Ų | 58 | 17% | 0.165 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 151 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | I44 L45 | I44-G55 CarbonylContact C-O 3.52Å; I44-G55 WeakPolarHBondContact CA-O 3.34Å; I44-G55 WeakPolarHBondContact CG2-O 3.42Å; L45-G55 PolarHBondContact N-O 2.96Å; L45-G55 PolarHBondContact O-N 2.89Å |
| 56 | S | 89.6 | Confident | 87 | Confident | 71 Ų | 71 | 59.7 Ų | 59.7 | 50% | 0.497 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 128.4 | 176.5 | -178.5 | 0 | 0 | 0 | 0 | 109.9 | V43 | V43-S56 CarbonylContact O-C 3.13Å; V43-S56 WeakPolarHBondContact O-CA 3.17Å |
| 57 | W | 91.3 | Very high | 87 | Confident | 12 Ų | 12 | 59.5 Ų | 59.5 | 5% | 0.045 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 131.4 | -175.3 | -64.3 | -83.5 | 0 | 0 | 0 | 109.9 | T42 V43 L45 Y78 W90 D94 L97 | T42-W57 CarbonylContact C-O 3.6Å; T42-W57 WeakPolarHBondContact CA-O 3.35Å; V43-W57 PolarHBondContact N-O 3.41Å; V43-W57 PolarHBondContact O-N 3.29Å; L45-W57 HydrophobicContact CB-CH2 4.09Å; L45-W57 HydrophobicContact CB-CZ3 3.72Å; L45-W57 HydrophobicContact CD2-CH2 4.34Å; W57-Y78 HydrophobicContact CH2-CE2 4.27Å; W57-W90 AromaticContact CD1-CD1 3.94Å; W57-W90 AromaticContact CD1-NE1 3.85Å; W57-W90 AromaticContact CD2-NE1 3.37Å; W57-W90 AromaticContact CE2-CD1 3.87Å; W57-W90 AromaticContact CE2-NE1 3.52Å; W57-W90 AromaticContact CE3-NE1 3.78Å; W57-W90 AromaticContact CG-NE1 3.62Å; W57-W90 AromaticContact NE1-CD1 3.74Å; W57-W90 AromaticContact NE1-NE1 3.78Å; W57-D94 PolarHBondContact NE1-O 3.25Å; W57-L97 HydrophobicContact CB-CD1 3.66Å; W57-L97 HydrophobicContact CB-CD2 4.24Å; W57-L97 HydrophobicContact CB-CG 3.76Å; W57-L97 HydrophobicContact CG-CG 4.43Å |
| 58 | S | 89.3 | Confident | 87 | Confident | 56 Ų | 56 | 57.3 Ų | 57.3 | 39% | 0.392 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 139.1 | -175.9 | -55.2 | 0 | 0 | 0 | 0 | 111.6 | R41 T42 | R41-S58 VanDerWaalsContact O-CA 3.28Å; R41-S58 WeakPolarHBondContact O-CA 3.44Å; T42-S58 WeakPolarHBondContact CG2-OG 3.29Å |
| 59 | V | 88.3 | Confident | 87.3 | Confident | 7 Ų | 7 | 57.1 Ų | 57.1 | 4% | 0.042 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -77.3 | 162.6 | 170.1 | -62 | 0 | 0 | 0 | 0 | 111.2 | R41 Q63 I65 H82 L97 | R41-V59 HydrophobicContact CB-CG2 3.8Å; R41-V59 HydrophobicContact CG-CG2 4.02Å; R41-V59 PolarHBondContact O-N 3.4Å; V59-Q63 HydrophobicContact CB-CB 4.02Å; V59-Q63 HydrophobicContact CG2-CB 3.83Å; V59-I65 HydrophobicContact CG1-CD1 4.4Å; V59-I65 HydrophobicContact CG1-CG1 4.03Å; V59-I65 HydrophobicContact CG2-CG1 4.15Å; V59-H82 HydrophobicContact CG1-CB 4.46Å; V59-L97 HydrophobicContact CG1-CD1 4.07Å |
| 60 | K | 86.3 | Confident | 87.7 | Confident | 115 Ų | 115 | 53.7 Ų | 53.7 | 50% | 0.5 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 153.1 | -179.6 | -71.5 | -175.8 | -175.4 | -176.4 | 0 | 111.9 | G62 Q63 D98 | K60-G62 PolarHBondContact O-N 3.25Å; K60-Q63 HydrophobicContact CB-CG 4.39Å; K60-Q63 WeakPolarHBondContact O-CB 3.25Å; K60-Q63 PolarHBondContact O-N 2.92Å; K60-D98 WeakPolarHBondContact CE-OD1 3.49Å; K60-D98 WeakPolarHBondContact CE-OD2 3.48Å; K60-D98 VanDerWaalsContact CG-CG 3.5Å; K60-D98 VanDerWaalsContact CG-OD1 3.29Å; K60-D98 WeakPolarHBondContact CG-OD1 3.48Å; K60-D98 WeakPolarHBondContact CG-OD2 3.41Å |
| 61 | Q | 81.3 | Confident | 88.1 | Confident | 178 Ų | 178 | 50 Ų | 50 | 83% | 0.832 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | 123.9 | 168.7 | -168.8 | 169 | 10.5 | 0 | 0 | 110.1 | ||
| 62 | G | 81.1 | Confident | 88.4 | Confident | 62 Ų | 62 | 45.7 Ų | 45.7 | 64% | 0.639 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.2 | -14.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | K60 | K60-G62 PolarHBondContact O-N 3.25Š|
| 63 | Q | 87.2 | Confident | 88.6 | Confident | 35 Ų | 35 | 41.3 Ų | 41.3 | 16% | 0.164 | 24% | 0.242 | C | C | . | . | trans | -90.2 | 149.1 | 168.6 | -64.2 | 176.6 | -25.6 | 0 | 0 | 109.7 | R41 V59 K60 | R41-Q63 PolarHBondContact NE-O 2.95Å; V59-Q63 HydrophobicContact CB-CB 4.02Å; V59-Q63 HydrophobicContact CG2-CB 3.83Å; K60-Q63 HydrophobicContact CB-CG 4.39Å; K60-Q63 WeakPolarHBondContact O-CB 3.25Å; K60-Q63 PolarHBondContact O-N 2.92Å | ||
| 64 | V | 87.8 | Confident | 88.6 | Confident | 65 Ų | 65 | 43.7 Ų | 43.7 | 39% | 0.394 | 25% | 0.247 | S | C | . | . | trans | -129.8 | 131.5 | 178.8 | -178.3 | 0 | 0 | 0 | 0 | 109.3 | H82 D83 | V64-H82 CarbonylContact O-C 3.59Å; V64-H82 VanDerWaalsContact O-CA 3.24Å; V64-H82 WeakPolarHBondContact O-CA 3.3Å; V64-H82 VanDerWaalsContact O-CB 3.3Å; V64-H82 WeakPolarHBondContact O-CB 3.47Å; V64-D83 PolarHBondContact N-OD1 3.23Å; V64-D83 VanDerWaalsContact N-OD1 3.11Å; V64-D83 PolarHBondContact O-N 3.19Å | ||
| 65 | I | 89.8 | Confident | 88.7 | Confident | 3 Ų | 3 | 42.2 Ų | 42.2 | 2% | 0.015 | 24% | 0.242 | C | C | . | . | B | Isolated β-bridge | trans | -72 | 129.8 | 172.2 | -62.4 | 175.4 | 0 | 0 | 0 | 107.5 | L23 T37 R41 V43 V59 C67 V80 | L23-I65 HydrophobicContact CD1-CB 4.09Å; L23-I65 HydrophobicContact CD1-CG2 3.72Å; L23-I65 VanDerWaalsContact CD1-O 3.24Å; L23-I65 WeakPolarHBondContact CD1-O 3.43Å; T37-I65 HydrophobicContact CG2-CB 4.5Å; T37-I65 HydrophobicContact CG2-CD1 4.31Å; T37-I65 HydrophobicContact CG2-CG2 3.67Å; R41-I65 VanDerWaalsContact C-CD1 3.46Å; R41-I65 WeakPolarHBondContact O-CD1 3.36Å; V43-I65 HydrophobicContact CG2-CD1 3.74Å; V59-I65 HydrophobicContact CG1-CD1 4.4Å; V59-I65 HydrophobicContact CG1-CG1 4.03Å; V59-I65 HydrophobicContact CG2-CG1 4.15Å; I65-C67 WeakPolarHBondContact CG2-O 3.49Å; I65-V80 HydrophobicContact CB-CG2 4.49Å; I65-V80 HydrophobicContact CD1-CG2 4.3Å; I65-V80 HydrophobicContact CG1-CG2 4.28Å; I65-V80 HydrophobicContact CG2-CG2 3.49Å; I65-V80 VanDerWaalsContact CG2-CG2 3.49Å |
| 66 | T | 88.4 | Confident | 88.7 | Confident | 39 Ų | 39 | 49.7 Ų | 49.7 | 24% | 0.239 | 27% | 0.266 | C | S | . | . | trans | -109.9 | -12.1 | -172.4 | 52.5 | 0 | 0 | 0 | 0 | 113.5 | V81 N84 | T66-V81 PolarHBondContact N-O 3.25Å; T66-V81 PolarHBondContact OG1-O 3.08Å; T66-N84 WeakPolarHBondContact CB-OD1 3.28Å; T66-N84 WeakPolarHBondContact CG2-OD1 3.42Å; T66-N84 WeakPolarHBondContact OG1-CA 3.42Å; T66-N84 PolarHBondContact OG1-N 3.43Å | ||
| 67 | C | 88.4 | Confident | 88.9 | Confident | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.014 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -143.7 | 160.2 | 173.7 | 69.4 | 0 | 0 | 0 | 0 | 111.5 | I65 | I65-C67 WeakPolarHBondContact CG2-O 3.49Š|
| 68 | P | 90.9 | Very high | 89 | Confident | 8 Ų | 8 | 49.1 Ų | 49.1 | 5% | 0.052 | 26% | 0.256 | C | S | . | . | trans | -57.9 | 138.5 | 176.4 | -23.2 | 34.2 | 0 | 0 | 0 | 111.9 | L23 E26 | L23-P68 HydrophobicContact CB-CG 4.39Å; L23-P68 WeakPolarHBondContact O-CG 3.46Å; E26-P68 HydrophobicContact CG-CB 4.02Å | ||
| 69 | A | 92.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | -71.5 | 138.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | E26 T37 V43 I79 V80 W90 | E26-A69 WeakPolarHBondContact CB-O 3.45Å; E26-A69 WeakPolarHBondContact CG-O 3.4Å; T37-A69 PolarHBondContact OG1-N 3.39Å; V43-A69 HydrophobicContact CB-CB 4.41Å; V43-A69 HydrophobicContact CG1-CB 3.66Å; V43-A69 HydrophobicContact CG2-CB 3.79Å; A69-I79 CarbonylContact C-O 3.55Å; A69-I79 VanDerWaalsContact CA-O 3.26Å; A69-I79 WeakPolarHBondContact CA-O 3.32Å; A69-V80 HydrophobicContact CB-CB 4.13Å; A69-V80 HydrophobicContact CB-CG2 4.09Å; A69-W90 HydrophobicContact CB-CH2 4.03Å | ||
| 70 | V | 93.7 | Very high | 89.4 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 155.7 | -179 | -62 | 0 | 0 | 0 | 0 | 111.3 | E26 Y78 I79 I112 | E26-V70 HydrophobicContact CG-CG1 4.08Å; V70-Y78 WeakPolarHBondContact O-CA 3.29Å; V70-I79 HydrophobicContact CG2-CB 4.2Å; V70-I79 PolarHBondContact N-O 3.15Å; V70-I79 PolarHBondContact O-N 2.91Å; V70-I112 HydrophobicContact CG2-CB 3.9Å; V70-I112 HydrophobicContact CG2-CG2 3.46Å; V70-I112 VanDerWaalsContact CG2-CG2 3.46Å |
| 71 | C | 92.8 | Very high | 89.8 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.007 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 133.4 | 171.1 | -170.8 | 0 | 0 | 0 | 0 | 110.6 | L35 F73 Y78 S114 | L35-C71 HydrophobicContact CD1-CB 4.39Å; C71-F73 PolarHBondContact O-N 3.1Å; C71-Y78 HydrophobicContact CB-CD1 3.99Å; C71-Y78 HydrophobicContact CB-CE1 4.06Å; C71-S114 WeakPolarHBondContact O-CB 3.32Å; C71-S114 PolarHBondContact O-OG 2.97Å |
| 72 | N | 92.4 | Very high | 90.2 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | trans | -78 | 109.5 | 161.3 | -173.7 | -19.1 | 0 | 0 | 0 | 108.6 | Q74 T75 R76 E77 I79 P120 | N72-Q74 PolarHBondContact O-N 3.41Å; N72-Q74 WeakPolarHBondContact OD1-CB 3.41Å; N72-Q74 PolarHBondContact OD1-N 3.45Å; N72-T75 WeakPolarHBondContact CB-OG1 3.46Å; N72-T75 VanDerWaalsContact CG-OG1 3.28Å; N72-T75 PolarHBondContact ND2-OG1 3.39Å; N72-T75 PolarHBondContact OD1-N 2.91Å; N72-R76 WeakPolarHBondContact O-CA 3.47Å; N72-R76 PolarHBondContact O-N 3.19Å; N72-E77 WeakPolarHBondContact CB-O 3.34Å; N72-E77 PolarHBondContact N-O 3.14Å; N72-I79 HydrophobicContact CB-CD1 4.03Å; N72-P120 HydrophobicContact CB-CG 3.81Å | ||
| 73 | F | 88.1 | Confident | 90.6 | Very high | 42 Ų | 42 | 32.6 Ų | 32.6 | 18% | 0.184 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -17.6 | -178.2 | -62.9 | -78.7 | 0 | 0 | 0 | 113.5 | S28 C71 S114 V115 Q116 | S28-F73 VanDerWaalsContact O-CE1 3.29Å; S28-F73 WeakPolarHBondContact O-CE1 3.31Å; C71-F73 PolarHBondContact O-N 3.1Å; F73-S114 VanDerWaalsContact CD2-OG 3.3Å; F73-S114 WeakPolarHBondContact CD2-OG 3.3Å; F73-S114 VanDerWaalsContact CE2-OG 3.28Å; F73-S114 WeakPolarHBondContact CE2-OG 3.2Å; F73-V115 VanDerWaalsContact CD2-C 3.46Å; F73-V115 WeakPolarHBondContact CD2-O 3.43Å; F73-Q116 HydrophobicContact CD1-CG 3.76Å; F73-Q116 HydrophobicContact CD2-CG 4.21Å; F73-Q116 HydrophobicContact CE1-CG 3.7Å; F73-Q116 HydrophobicContact CE2-CG 4.17Å; F73-Q116 HydrophobicContact CG-CB 4.46Å; F73-Q116 HydrophobicContact CG-CG 4.01Å; F73-Q116 HydrophobicContact CZ-CG 3.93Å |
| 74 | Q | 87.5 | Confident | 90.8 | Very high | 113 Ų | 113 | 33.2 Ų | 33.2 | 53% | 0.528 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -47.2 | 179.1 | -61.7 | 179 | -25.5 | 0 | 0 | 111.4 | N72 | N72-Q74 PolarHBondContact O-N 3.41Å; N72-Q74 WeakPolarHBondContact OD1-CB 3.41Å; N72-Q74 PolarHBondContact OD1-N 3.45Å |
| 75 | T | 88.3 | Confident | 91 | Very high | 60 Ų | 60 | 33.9 Ų | 33.9 | 37% | 0.368 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -16.1 | -177.8 | 67 | 0 | 0 | 0 | 0 | 113.6 | N72 E77 | N72-T75 WeakPolarHBondContact CB-OG1 3.46Å; N72-T75 VanDerWaalsContact CG-OG1 3.28Å; N72-T75 PolarHBondContact ND2-OG1 3.39Å; N72-T75 PolarHBondContact OD1-N 2.91Å; T75-E77 VanDerWaalsContact CB-OE2 3.24Å; T75-E77 WeakPolarHBondContact CB-OE2 3.37Å; T75-E77 PolarHBondContact O-N 3.38Å; T75-E77 WeakPolarHBondContact OG1-CB 3.21Å; T75-E77 PolarHBondContact OG1-N 2.99Å; T75-E77 PolarHBondContact OG1-OE2 2.98Å |
| 76 | R | 88.1 | Confident | 91.2 | Very high | 173 Ų | 173 | 34.4 Ų | 34.4 | 65% | 0.653 | 16% | 0.164 | S | C | * | . | trans | 62.9 | 24.4 | -172 | -51.6 | -178.7 | -178.8 | 174.7 | -0.9 | 114 | N72 | N72-R76 WeakPolarHBondContact O-CA 3.47Å; N72-R76 PolarHBondContact O-N 3.19Å | ||
| 77 | E | 92.6 | Very high | 91.5 | Very high | 71 Ų | 71 | 32.6 Ų | 32.6 | 33% | 0.332 | 15% | 0.153 | S | C | . | . | trans | -96.8 | 154 | 174.1 | -61.2 | 165.9 | 137.7 | 0 | 0 | 110.5 | N72 T75 I89 W90 | N72-E77 WeakPolarHBondContact CB-O 3.34Å; N72-E77 PolarHBondContact N-O 3.14Å; T75-E77 VanDerWaalsContact CB-OE2 3.24Å; T75-E77 WeakPolarHBondContact CB-OE2 3.37Å; T75-E77 PolarHBondContact O-N 3.38Å; T75-E77 WeakPolarHBondContact OG1-CB 3.21Å; T75-E77 PolarHBondContact OG1-N 2.99Å; T75-E77 PolarHBondContact OG1-OE2 2.98Å; E77-I89 HydrophobicContact CB-CG2 3.65Å; E77-I89 HydrophobicContact CG-CG2 4.23Å; E77-W90 CarbonylContact C-O 3.55Å; E77-W90 WeakPolarHBondContact CA-O 3.31Å | ||
| 78 | Y | 93.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 145.2 | 175.9 | -54.5 | -53.2 | 0 | 0 | 0 | 110.6 | S28 L35 W57 V70 C71 I89 W90 N92 | S28-Y78 WeakPolarHBondContact OG-CE1 3.31Å; S28-Y78 PolarHBondContact OG-OH 2.84Å; S28-Y78 VanDerWaalsContact OG-OH 3.1Å; L35-Y78 HydrophobicContact CD1-CD1 3.63Å; L35-Y78 HydrophobicContact CD1-CE1 4.03Å; L35-Y78 HydrophobicContact CD1-CG 4.4Å; L35-Y78 HydrophobicContact CD2-CD1 4.23Å; L35-Y78 HydrophobicContact CD2-CE1 4.31Å; L35-Y78 HydrophobicContact CG-CD1 4.44Å; W57-Y78 HydrophobicContact CH2-CE2 4.27Å; V70-Y78 WeakPolarHBondContact O-CA 3.29Å; C71-Y78 HydrophobicContact CB-CD1 3.99Å; C71-Y78 HydrophobicContact CB-CE1 4.06Å; Y78-I89 VanDerWaalsContact O-CA 3.28Å; Y78-I89 WeakPolarHBondContact O-CA 3.33Å; Y78-W90 VanDerWaalsContact CB-CE2 3.43Å; Y78-W90 VanDerWaalsContact CB-CZ2 3.44Å; Y78-W90 HydrophobicContact CD2-CZ2 4.44Å; Y78-W90 AromaticContact CD2-NE1 3.62Å; Y78-W90 HydrophobicContact CG-CZ2 4.24Å; Y78-W90 PolarHBondContact N-O 3.16Å; Y78-W90 WeakPolarHBondContact O-CZ3 3.4Å; Y78-W90 PolarHBondContact O-N 2.75Å; Y78-N92 VanDerWaalsContact CE2-OD1 3.31Å; Y78-N92 WeakPolarHBondContact CE2-OD1 3.35Å; Y78-N92 PolarHBondContact OH-ND2 3.26Å; Y78-N92 PolarHBondContact OH-OD1 3.19Å |
| 79 | I | 94.1 | Very high | 91.9 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 135.9 | -174.2 | -49.2 | 161.1 | 0 | 0 | 0 | 109.1 | A69 V70 N72 L87 R88 I89 I112 P120 L132 | A69-I79 CarbonylContact C-O 3.55Å; A69-I79 VanDerWaalsContact CA-O 3.26Å; A69-I79 WeakPolarHBondContact CA-O 3.32Å; V70-I79 HydrophobicContact CG2-CB 4.2Å; V70-I79 PolarHBondContact N-O 3.15Å; V70-I79 PolarHBondContact O-N 2.91Å; N72-I79 HydrophobicContact CB-CD1 4.03Å; I79-L87 HydrophobicContact CG2-CD1 4.07Å; I79-L87 HydrophobicContact CG2-CD2 4Å; I79-L87 HydrophobicContact CG2-CG 3.89Å; I79-R88 WeakPolarHBondContact CA-O 3.45Å; I79-I89 HydrophobicContact CG1-CG1 4.3Å; I79-I89 HydrophobicContact CG2-CG1 4.42Å; I79-I112 HydrophobicContact CB-CD1 4.34Å; I79-I112 HydrophobicContact CG2-CD1 3.62Å; I79-P120 HydrophobicContact CD1-CB 4.01Å; I79-P120 HydrophobicContact CD1-CG 3.73Å; I79-L132 HydrophobicContact CD1-CD1 4.46Å; I79-L132 HydrophobicContact CD1-CD2 3.32Å; I79-L132 HydrophobicContact CD1-CG 4.49Å; I79-L132 HydrophobicContact CG1-CD2 4.35Å |
| 80 | V | 93.4 | Very high | 92 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 150.1 | 176.4 | 73.9 | 0 | 0 | 0 | 0 | 110.1 | V43 I65 A69 L87 R88 W90 | V43-V80 HydrophobicContact CG2-CG2 4.43Å; I65-V80 HydrophobicContact CB-CG2 4.49Å; I65-V80 HydrophobicContact CD1-CG2 4.3Å; I65-V80 HydrophobicContact CG1-CG2 4.28Å; I65-V80 HydrophobicContact CG2-CG2 3.49Å; I65-V80 VanDerWaalsContact CG2-CG2 3.49Å; A69-V80 HydrophobicContact CB-CB 4.13Å; A69-V80 HydrophobicContact CB-CG2 4.09Å; V80-L87 WeakPolarHBondContact O-CA 3.42Å; V80-R88 HydrophobicContact CG1-CB 4.16Å; V80-R88 PolarHBondContact N-O 3Å; V80-R88 VanDerWaalsContact N-O 3.09Å; V80-R88 PolarHBondContact O-N 2.86Å; V80-W90 HydrophobicContact CB-CH2 3.78Å; V80-W90 HydrophobicContact CB-CZ3 3.64Å; V80-W90 HydrophobicContact CG1-CE3 4.39Å; V80-W90 HydrophobicContact CG1-CH2 3.88Å; V80-W90 HydrophobicContact CG1-CZ3 3.44Å; V80-W90 VanDerWaalsContact CG1-CZ3 3.44Å |
| 81 | V | 92.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 132.5 | 168.6 | -179.4 | 0 | 0 | 0 | 0 | 109.9 | T66 V86 L87 V109 I112 | T66-V81 PolarHBondContact N-O 3.25Å; T66-V81 PolarHBondContact OG1-O 3.08Å; V81-V86 VanDerWaalsContact CA-O 3.29Å; V81-V86 WeakPolarHBondContact CA-O 3.41Å; V81-L87 HydrophobicContact CG2-CB 4.4Å; V81-V109 HydrophobicContact CG1-CB 4.21Å; V81-V109 HydrophobicContact CG1-CG2 4.36Å; V81-V109 HydrophobicContact CG2-CB 4.32Å; V81-V109 HydrophobicContact CG2-CG1 4.17Å; V81-V109 HydrophobicContact CG2-CG2 4.25Å; V81-I112 HydrophobicContact CG2-CD1 3.62Å; V81-I112 HydrophobicContact CG2-CG1 4.09Å |
| 82 | H | 91.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 154.3 | 169.6 | 72.1 | 87.1 | 0 | 0 | 0 | 110.6 | V59 V64 N84 K85 V86 R88 | V59-H82 HydrophobicContact CG1-CB 4.46Å; V64-H82 CarbonylContact O-C 3.59Å; V64-H82 VanDerWaalsContact O-CA 3.24Å; V64-H82 WeakPolarHBondContact O-CA 3.3Å; V64-H82 VanDerWaalsContact O-CB 3.3Å; V64-H82 WeakPolarHBondContact O-CB 3.47Å; H82-N84 PolarHBondContact O-N 2.99Å; H82-N84 VanDerWaalsContact O-N 3.15Å; H82-K85 PolarHBondContact O-N 3.04Å; H82-V86 VanDerWaalsContact CE1-CB 3.5Å; H82-V86 WeakPolarHBondContact CE1-CB 3.32Å; H82-V86 VanDerWaalsContact CE1-CG1 3.48Å; H82-V86 WeakPolarHBondContact CE1-CG1 3.38Å; H82-V86 PolarHBondContact N-O 2.71Å; H82-V86 WeakPolarHBondContact NE2-CG1 3.43Å; H82-V86 WeakPolarHBondContact O-CB 3.48Å; H82-V86 PolarHBondContact O-N 3.1Å; H82-R88 PolarHBondContact CD2-NE 3.37Å; H82-R88 PolarHBondContact NE2-NE 3.28Å; H82-R88 PolarHBondContact NE2-NH2 3.35Å |
| 83 | D | 89.2 | Confident | 91.2 | Very high | 68 Ų | 68 | 47.7 Ų | 47.7 | 36% | 0.364 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51 | 37.2 | -179.4 | -46.5 | -40.9 | 0 | 0 | 0 | 112.9 | V64 K85 | V64-D83 PolarHBondContact N-OD1 3.23Å; V64-D83 VanDerWaalsContact N-OD1 3.11Å; V64-D83 PolarHBondContact O-N 3.19Å; D83-K85 PolarHBondContact O-N 3.47Å |
| 84 | N | 90.6 | Very high | 91.2 | Very high | 48 Ų | 48 | 48.1 Ų | 48.1 | 26% | 0.257 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | -16.4 | 179.8 | -59.6 | -51.7 | 0 | 0 | 0 | 117.2 | T66 H82 E108 V109 | T66-N84 WeakPolarHBondContact CB-OD1 3.28Å; T66-N84 WeakPolarHBondContact CG2-OD1 3.42Å; T66-N84 WeakPolarHBondContact OG1-CA 3.42Å; T66-N84 PolarHBondContact OG1-N 3.43Å; H82-N84 PolarHBondContact O-N 2.99Å; H82-N84 VanDerWaalsContact O-N 3.15Å; N84-E108 HydrophobicContact CB-CB 4.22Å; N84-E108 HydrophobicContact CB-CG 4.06Å; N84-E108 CarbonylContact O-C 3.51Å; N84-E108 WeakPolarHBondContact O-CA 3.4Å; N84-V109 PolarHBondContact O-N 3.11Å |
| 85 | K | 93.5 | Very high | 90.9 | Very high | 79 Ų | 79 | 49.2 Ų | 49.2 | 34% | 0.343 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -131.1 | -15.4 | -171.1 | -63.4 | -172 | 179.5 | -174.6 | 0 | 114.7 | H82 D83 L105 E108 | H82-K85 PolarHBondContact O-N 3.04Å; D83-K85 PolarHBondContact O-N 3.47Å; K85-L105 WeakPolarHBondContact O-CB 3.42Å; K85-L105 PolarHBondContact O-N 3.4Å; K85-E108 HydrophobicContact CD-CG 4.37Å; K85-E108 HydrophobicContact CG-CG 4.06Å |
| 86 | V | 93.3 | Very high | 90.6 | Very high | 15 Ų | 15 | 49.6 Ų | 49.6 | 9% | 0.091 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 111.5 | -171.9 | -175 | 0 | 0 | 0 | 0 | 110.1 | V81 H82 K102 A103 | V81-V86 VanDerWaalsContact CA-O 3.29Å; V81-V86 WeakPolarHBondContact CA-O 3.41Å; H82-V86 VanDerWaalsContact CE1-CB 3.5Å; H82-V86 WeakPolarHBondContact CE1-CB 3.32Å; H82-V86 VanDerWaalsContact CE1-CG1 3.48Å; H82-V86 WeakPolarHBondContact CE1-CG1 3.38Å; H82-V86 PolarHBondContact N-O 2.71Å; H82-V86 WeakPolarHBondContact NE2-CG1 3.43Å; H82-V86 WeakPolarHBondContact O-CB 3.48Å; H82-V86 PolarHBondContact O-N 3.1Å; V86-K102 HydrophobicContact CG1-CD 3.67Å; V86-K102 HydrophobicContact CG1-CG 3.54Å; V86-A103 CarbonylContact C-O 3.54Å; V86-A103 WeakPolarHBondContact CA-O 3.43Å |
| 87 | L | 94.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 134.8 | 176.8 | -171.6 | 148.5 | 0 | 0 | 0 | 110 | I79 V80 V81 I89 K102 A103 L105 L132 L136 | I79-L87 HydrophobicContact CG2-CD1 4.07Å; I79-L87 HydrophobicContact CG2-CD2 4Å; I79-L87 HydrophobicContact CG2-CG 3.89Å; V80-L87 WeakPolarHBondContact O-CA 3.42Å; V81-L87 HydrophobicContact CG2-CB 4.4Å; L87-I89 HydrophobicContact CD2-CD1 3.81Å; L87-I89 HydrophobicContact CD2-CG1 3.49Å; L87-I89 VanDerWaalsContact CD2-CG1 3.49Å; L87-K102 WeakPolarHBondContact O-CA 3.32Å; L87-A103 PolarHBondContact N-O 2.88Å; L87-A103 PolarHBondContact O-N 3.49Å; L87-L105 HydrophobicContact CB-CD1 4.43Å; L87-L105 HydrophobicContact CD1-CD1 4.48Å; L87-L132 HydrophobicContact CD1-CD1 3.72Å; L87-L132 HydrophobicContact CD2-CD1 4.4Å; L87-L136 HydrophobicContact CD2-CD2 4.24Å |
| 88 | R | 93.8 | Very high | 89.9 | Confident | 9 Ų | 9 | 40.6 Ų | 40.6 | 3% | 0.034 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 144.1 | 170.9 | -65.2 | -166.1 | -170.8 | -169.5 | 11.1 | 111.4 | I79 V80 H82 L97 D98 V100 F101 | I79-R88 WeakPolarHBondContact CA-O 3.45Å; V80-R88 HydrophobicContact CG1-CB 4.16Å; V80-R88 PolarHBondContact N-O 3Å; V80-R88 VanDerWaalsContact N-O 3.09Å; V80-R88 PolarHBondContact O-N 2.86Å; H82-R88 PolarHBondContact CD2-NE 3.37Å; H82-R88 PolarHBondContact NE2-NE 3.28Å; H82-R88 PolarHBondContact NE2-NH2 3.35Å; R88-L97 PolarHBondContact NH1-O 3.38Å; R88-D98 IonicContact CZ-OD1 2.93Å; R88-D98 VanDerWaalsContact NH1-CA 3.28Å; R88-D98 IonicContact NH1-OD1 3.71Å; R88-D98 PolarHBondContact NH1-OD1 3.34Å; R88-D98 IonicContact NH2-OD1 3.95Å; R88-V100 HydrophobicContact CB-CG2 4.11Å; R88-F101 VanDerWaalsContact CA-O 3.28Å; R88-F101 WeakPolarHBondContact CA-O 3.26Å |
| 89 | I | 93.8 | Very high | 89.5 | Confident | 13 Ų | 13 | 49.4 Ų | 49.4 | 7% | 0.067 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 129.8 | 177.3 | -52.7 | -177.5 | 0 | 0 | 0 | 108.7 | E77 Y78 I79 L87 V100 F101 L136 | E77-I89 HydrophobicContact CB-CG2 3.65Å; E77-I89 HydrophobicContact CG-CG2 4.23Å; Y78-I89 VanDerWaalsContact O-CA 3.28Å; Y78-I89 WeakPolarHBondContact O-CA 3.33Å; I79-I89 HydrophobicContact CG1-CG1 4.3Å; I79-I89 HydrophobicContact CG2-CG1 4.42Å; L87-I89 HydrophobicContact CD2-CD1 3.81Å; L87-I89 HydrophobicContact CD2-CG1 3.49Å; L87-I89 VanDerWaalsContact CD2-CG1 3.49Å; I89-V100 WeakPolarHBondContact O-CB 3.48Å; I89-V100 WeakPolarHBondContact O-CG2 3.39Å; I89-F101 HydrophobicContact CB-CB 4.43Å; I89-F101 HydrophobicContact CB-CD1 4.23Å; I89-F101 HydrophobicContact CD1-CD1 4.13Å; I89-F101 HydrophobicContact CD1-CE1 4.38Å; I89-F101 HydrophobicContact CG1-CD1 4.09Å; I89-F101 PolarHBondContact N-O 2.95Å; I89-F101 PolarHBondContact O-N 3.07Å; I89-L136 HydrophobicContact CD1-CD1 3.64Å; I89-L136 HydrophobicContact CD1-CD2 3.95Å; I89-L136 HydrophobicContact CD1-CG 4.41Å |
| 90 | W | 94.5 | Very high | 89.4 | Confident | 3 Ų | 3 | 50.2 Ų | 50.2 | 1% | 0.011 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 170.7 | -179.8 | 76.5 | 103.1 | 0 | 0 | 0 | 111.8 | V43 W57 A69 E77 Y78 V80 D94 L97 V100 | V43-W90 HydrophobicContact CB-CZ2 4.33Å; V43-W90 HydrophobicContact CG1-CZ2 4.14Å; V43-W90 HydrophobicContact CG2-CH2 4.32Å; V43-W90 HydrophobicContact CG2-CZ2 4.45Å; W57-W90 AromaticContact CD1-CD1 3.94Å; W57-W90 AromaticContact CD1-NE1 3.85Å; W57-W90 AromaticContact CD2-NE1 3.37Å; W57-W90 AromaticContact CE2-CD1 3.87Å; W57-W90 AromaticContact CE2-NE1 3.52Å; W57-W90 AromaticContact CE3-NE1 3.78Å; W57-W90 AromaticContact CG-NE1 3.62Å; W57-W90 AromaticContact NE1-CD1 3.74Å; W57-W90 AromaticContact NE1-NE1 3.78Å; A69-W90 HydrophobicContact CB-CH2 4.03Å; E77-W90 CarbonylContact C-O 3.55Å; E77-W90 WeakPolarHBondContact CA-O 3.31Å; Y78-W90 VanDerWaalsContact CB-CE2 3.43Å; Y78-W90 VanDerWaalsContact CB-CZ2 3.44Å; Y78-W90 HydrophobicContact CD2-CZ2 4.44Å; Y78-W90 AromaticContact CD2-NE1 3.62Å; Y78-W90 HydrophobicContact CG-CZ2 4.24Å; Y78-W90 PolarHBondContact N-O 3.16Å; Y78-W90 WeakPolarHBondContact O-CZ3 3.4Å; Y78-W90 PolarHBondContact O-N 2.75Å; V80-W90 HydrophobicContact CB-CH2 3.78Å; V80-W90 HydrophobicContact CB-CZ3 3.64Å; V80-W90 HydrophobicContact CG1-CE3 4.39Å; V80-W90 HydrophobicContact CG1-CH2 3.88Å; V80-W90 HydrophobicContact CG1-CZ3 3.44Å; V80-W90 VanDerWaalsContact CG1-CZ3 3.44Å; W90-D94 WeakPolarHBondContact CA-OD2 3.47Å; W90-D94 HydrophobicContact CB-CB 4.12Å; W90-D94 WeakPolarHBondContact CB-OD2 3.25Å; W90-L97 HydrophobicContact CB-CD2 4.24Å; W90-L97 HydrophobicContact CD2-CD2 3.4Å; W90-L97 VanDerWaalsContact CD2-CD2 3.4Å; W90-L97 HydrophobicContact CE3-CD2 3.58Å; W90-L97 HydrophobicContact CG-CD2 3.72Å; W90-L97 HydrophobicContact CH2-CD2 4.48Å; W90-L97 HydrophobicContact CZ2-CD2 4.32Å; W90-L97 HydrophobicContact CZ3-CD2 4.13Å; W90-V100 HydrophobicContact CB-CB 3.93Å; W90-V100 HydrophobicContact CB-CG1 3.67Å; W90-V100 HydrophobicContact CB-CG2 4.08Å |
| 91 | N | 91.9 | Very high | 89.3 | Confident | 51 Ų | 51 | 55.4 Ų | 55.4 | 27% | 0.273 | 28% | 0.278 | S | S | . | . | trans | -125.4 | -176.3 | 175.9 | 66.3 | 38 | 0 | 0 | 0 | 111.8 | E93 D94 | N91-E93 VanDerWaalsContact C-N 3.26Å; N91-E93 PolarHBondContact O-N 3.41Å; N91-E93 WeakPolarHBondContact OD1-CA 3.46Å; N91-E93 WeakPolarHBondContact OD1-CB 3.43Å; N91-E93 PolarHBondContact OD1-N 3.06Å; N91-D94 PolarHBondContact N-OD2 3.45Å; N91-D94 PolarHBondContact O-N 3.41Å; N91-D94 PolarHBondContact OD1-N 2.92Å; N91-D94 VanDerWaalsContact OD1-N 3.08Å; N91-D94 PolarHBondContact OD1-OD2 3.46Å | ||
| 92 | N | 86.3 | Confident | 89.3 | Confident | 84 Ų | 84 | 60.7 Ų | 60.7 | 45% | 0.449 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -19.3 | 179.6 | -79.5 | -47.5 | 0 | 0 | 0 | 114.7 | L45 Y78 | L45-N92 WeakPolarHBondContact CD2-OD1 3.39Å; Y78-N92 VanDerWaalsContact CE2-OD1 3.31Å; Y78-N92 WeakPolarHBondContact CE2-OD1 3.35Å; Y78-N92 PolarHBondContact OH-ND2 3.26Å; Y78-N92 PolarHBondContact OH-OD1 3.19Å |
| 93 | E | 85.8 | Confident | 89.4 | Confident | 170 Ų | 170 | 61 Ų | 61 | 79% | 0.794 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -21.3 | 179.8 | -54.3 | -177.6 | 175.4 | 0 | 0 | 111.8 | N91 V95 | N91-E93 VanDerWaalsContact C-N 3.26Å; N91-E93 PolarHBondContact O-N 3.41Å; N91-E93 WeakPolarHBondContact OD1-CA 3.46Å; N91-E93 WeakPolarHBondContact OD1-CB 3.43Å; N91-E93 PolarHBondContact OD1-N 3.06Å; E93-V95 PolarHBondContact O-N 3.27Å |
| 94 | D | 86.9 | Confident | 89.6 | Confident | 52 Ų | 52 | 60.9 Ų | 60.9 | 28% | 0.278 | 31% | 0.306 | S | S | . | . | trans | -72.4 | 115.4 | 179.7 | -68.8 | -49.2 | 0 | 0 | 0 | 111.7 | W57 W90 N91 V100 | W57-D94 PolarHBondContact NE1-O 3.25Å; W90-D94 WeakPolarHBondContact CA-OD2 3.47Å; W90-D94 HydrophobicContact CB-CB 4.12Å; W90-D94 WeakPolarHBondContact CB-OD2 3.25Å; N91-D94 PolarHBondContact N-OD2 3.45Å; N91-D94 PolarHBondContact O-N 3.41Å; N91-D94 PolarHBondContact OD1-N 2.92Å; N91-D94 VanDerWaalsContact OD1-N 3.08Å; N91-D94 PolarHBondContact OD1-OD2 3.46Å; D94-V100 HydrophobicContact CB-CG1 3.85Å | ||
| 95 | V | 80.8 | Confident | 89.8 | Confident | 136 Ų | 136 | 58.9 Ų | 58.9 | 82% | 0.824 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -80.8 | -26.7 | -178.6 | -176.7 | 0 | 0 | 0 | 0 | 112.7 | E93 | E93-V95 PolarHBondContact O-N 3.27Š|
| 96 | N | 82.3 | Confident | 89.8 | Confident | 68 Ų | 68 | 57.1 Ų | 57.1 | 36% | 0.364 | 29% | 0.293 | S | S | . | . | trans | -139.3 | 121.1 | -174 | -175 | -18.5 | 0 | 0 | 0 | 111.7 | D98 K99 V100 | N96-D98 PolarHBondContact O-N 3.1Å; N96-D98 VanDerWaalsContact OD1-CB 3.31Å; N96-D98 WeakPolarHBondContact OD1-CB 3.47Å; N96-D98 PolarHBondContact OD1-N 3.24Å; N96-K99 PolarHBondContact O-N 2.9Å; N96-V100 WeakPolarHBondContact O-CG1 3.5Å | ||
| 97 | L | 85.2 | Confident | 89.8 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -56.1 | -22.3 | 177.6 | -75.2 | 173.5 | 0 | 0 | 0 | 113.9 | W57 V59 R88 W90 K99 V100 | W57-L97 HydrophobicContact CB-CD1 3.66Å; W57-L97 HydrophobicContact CB-CD2 4.24Å; W57-L97 HydrophobicContact CB-CG 3.76Å; W57-L97 HydrophobicContact CG-CG 4.43Å; V59-L97 HydrophobicContact CG1-CD1 4.07Å; R88-L97 PolarHBondContact NH1-O 3.38Å; W90-L97 HydrophobicContact CB-CD2 4.24Å; W90-L97 HydrophobicContact CD2-CD2 3.4Å; W90-L97 VanDerWaalsContact CD2-CD2 3.4Å; W90-L97 HydrophobicContact CE3-CD2 3.58Å; W90-L97 HydrophobicContact CG-CD2 3.72Å; W90-L97 HydrophobicContact CH2-CD2 4.48Å; W90-L97 HydrophobicContact CZ2-CD2 4.32Å; W90-L97 HydrophobicContact CZ3-CD2 4.13Å; L97-K99 VanDerWaalsContact C-N 3.29Å; L97-K99 PolarHBondContact O-N 3.04Å; L97-V100 HydrophobicContact CD2-CG2 4.35Å; L97-V100 WeakPolarHBondContact O-CG2 3.45Å |
| 98 | D | 81.6 | Confident | 89.8 | Confident | 54 Ų | 54 | 61.1 Ų | 61.1 | 29% | 0.289 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -73.4 | -20.3 | -176.7 | -67.9 | -30.8 | 0 | 0 | 0 | 115.2 | K60 R88 N96 | K60-D98 WeakPolarHBondContact CE-OD1 3.49Å; K60-D98 WeakPolarHBondContact CE-OD2 3.48Å; K60-D98 VanDerWaalsContact CG-CG 3.5Å; K60-D98 VanDerWaalsContact CG-OD1 3.29Å; K60-D98 WeakPolarHBondContact CG-OD1 3.48Å; K60-D98 WeakPolarHBondContact CG-OD2 3.41Å; R88-D98 IonicContact CZ-OD1 2.93Å; R88-D98 VanDerWaalsContact NH1-CA 3.28Å; R88-D98 IonicContact NH1-OD1 3.71Å; R88-D98 PolarHBondContact NH1-OD1 3.34Å; R88-D98 IonicContact NH2-OD1 3.95Å; N96-D98 PolarHBondContact O-N 3.1Å; N96-D98 VanDerWaalsContact OD1-CB 3.31Å; N96-D98 WeakPolarHBondContact OD1-CB 3.47Å; N96-D98 PolarHBondContact OD1-N 3.24Å |
| 99 | K | 84.9 | Confident | 89.8 | Confident | 185 Ų | 185 | 60.8 Ų | 60.8 | 80% | 0.804 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -100.5 | -6.6 | -179.1 | -63.2 | -177.1 | 179.7 | 180 | 0 | 112.5 | N96 L97 | N96-K99 PolarHBondContact O-N 2.9Å; L97-K99 VanDerWaalsContact C-N 3.29Å; L97-K99 PolarHBondContact O-N 3.04Å |
| 100 | V | 91.4 | Very high | 89.8 | Confident | 18 Ų | 18 | 63.2 Ų | 63.2 | 11% | 0.109 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -80.3 | 171.6 | -176.2 | -46.9 | 0 | 0 | 0 | 0 | 110.7 | R88 I89 W90 D94 N96 L97 K102 | R88-V100 HydrophobicContact CB-CG2 4.11Å; I89-V100 WeakPolarHBondContact O-CB 3.48Å; I89-V100 WeakPolarHBondContact O-CG2 3.39Å; W90-V100 HydrophobicContact CB-CB 3.93Å; W90-V100 HydrophobicContact CB-CG1 3.67Å; W90-V100 HydrophobicContact CB-CG2 4.08Å; D94-V100 HydrophobicContact CB-CG1 3.85Å; N96-V100 WeakPolarHBondContact O-CG1 3.5Å; L97-V100 HydrophobicContact CD2-CG2 4.35Å; L97-V100 WeakPolarHBondContact O-CG2 3.45Å; V100-K102 PolarHBondContact O-N 3.3Å |
| 101 | F | 91.4 | Very high | 89.7 | Confident | 110 Ų | 110 | 65.7 Ų | 65.7 | 48% | 0.482 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.6 | 136.9 | 178.4 | 179.5 | -91.8 | 0 | 0 | 0 | 111.2 | R88 I89 A103 L136 | R88-F101 VanDerWaalsContact CA-O 3.28Å; R88-F101 WeakPolarHBondContact CA-O 3.26Å; I89-F101 HydrophobicContact CB-CB 4.43Å; I89-F101 HydrophobicContact CB-CD1 4.23Å; I89-F101 HydrophobicContact CD1-CD1 4.13Å; I89-F101 HydrophobicContact CD1-CE1 4.38Å; I89-F101 HydrophobicContact CG1-CD1 4.09Å; I89-F101 PolarHBondContact N-O 2.95Å; I89-F101 PolarHBondContact O-N 3.07Å; F101-A103 HydrophobicContact CE1-CB 3.87Å; F101-A103 HydrophobicContact CZ-CB 4.2Å; F101-L136 HydrophobicContact CE1-CD2 3.62Å; F101-L136 HydrophobicContact CZ-CD2 4.1Å |
| 102 | K | 92.9 | Very high | 89.8 | Confident | 110 Ų | 110 | 63.3 Ų | 63.3 | 48% | 0.478 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 130.8 | 179.6 | 172.9 | 177.2 | 159.3 | 170.6 | 0 | 110.2 | V86 L87 V100 | V86-K102 HydrophobicContact CG1-CD 3.67Å; V86-K102 HydrophobicContact CG1-CG 3.54Å; L87-K102 WeakPolarHBondContact O-CA 3.32Å; V100-K102 PolarHBondContact O-N 3.3Å |
| 103 | A | 93.3 | Very high | 90.1 | Very high | 9 Ų | 9 | 59.9 Ų | 59.9 | 7% | 0.074 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 139.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | V86 L87 F101 P139 | V86-A103 CarbonylContact C-O 3.54Å; V86-A103 WeakPolarHBondContact CA-O 3.43Å; L87-A103 PolarHBondContact N-O 2.88Å; L87-A103 PolarHBondContact O-N 3.49Å; F101-A103 HydrophobicContact CE1-CB 3.87Å; F101-A103 HydrophobicContact CZ-CB 4.2Å; A103-P139 HydrophobicContact CB-CB 4.35Å; A103-P139 HydrophobicContact CB-CG 4.26Å |
| 104 | T | 94.2 | Very high | 90.4 | Very high | 65 Ų | 65 | 52.7 Ų | 52.7 | 40% | 0.399 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 125.1 | 172.4 | -60.6 | 0 | 0 | 0 | 0 | 108.6 | Q140 | T104-Q140 PolarHBondContact O-NE2 3.41Å |
| 105 | L | 94.4 | Very high | 90.4 | Very high | 6 Ų | 6 | 51.9 Ų | 51.9 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | trans | -88.8 | 154.8 | -178.2 | -56.4 | 176.2 | 0 | 0 | 0 | 111.2 | K85 L87 V109 F124 L135 P139 | K85-L105 WeakPolarHBondContact O-CB 3.42Å; K85-L105 PolarHBondContact O-N 3.4Å; L87-L105 HydrophobicContact CB-CD1 4.43Å; L87-L105 HydrophobicContact CD1-CD1 4.48Å; L105-V109 HydrophobicContact CD1-CG2 3.46Å; L105-V109 VanDerWaalsContact CD1-CG2 3.46Å; L105-F124 HydrophobicContact CB-CE1 4.45Å; L105-F124 HydrophobicContact CD1-CE1 4.21Å; L105-F124 HydrophobicContact CD1-CZ 4.37Å; L105-L135 HydrophobicContact CD2-CD2 4.31Å; L105-P139 WeakPolarHBondContact CA-O 3.4Å; L105-P139 HydrophobicContact CD2-CB 4.35Å | ||
| 106 | S | 92.8 | Very high | 90.6 | Very high | 42 Ų | 42 | 50.1 Ų | 50.1 | 29% | 0.294 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -71 | -28.7 | 179.7 | 57.8 | 0 | 0 | 0 | 0 | 113.7 | P139 Q141 I143 | S106-P139 PolarHBondContact N-O 3.12Å; S106-Q141 WeakPolarHBondContact CB-O 3.27Å; S106-Q141 PolarHBondContact OG-O 2.94Å; S106-I143 WeakPolarHBondContact OG-CG1 3.37Å |
| 107 | A | 93.7 | Very high | 90.6 | Very high | 21 Ų | 21 | 50 Ų | 50 | 17% | 0.174 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -127.6 | 164.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | F124 I143 | A107-F124 HydrophobicContact CB-CD1 3.71Å; A107-F124 HydrophobicContact CB-CE1 4.07Å; A107-I143 HydrophobicContact CB-CB 3.89Å; A107-I143 HydrophobicContact CB-CG1 3.98Å; A107-I143 HydrophobicContact CB-CG2 4.17Å |
| 108 | E | 94.1 | Very high | 90.6 | Very high | 77 Ų | 77 | 51 Ų | 51 | 36% | 0.36 | 27% | 0.269 | S | S | . | . | trans | -77.1 | 129.7 | -179.9 | -65 | -169.7 | -176.9 | 0 | 0 | 112.4 | N84 K85 F124 K125 | N84-E108 HydrophobicContact CB-CB 4.22Å; N84-E108 HydrophobicContact CB-CG 4.06Å; N84-E108 CarbonylContact O-C 3.51Å; N84-E108 WeakPolarHBondContact O-CA 3.4Å; K85-E108 HydrophobicContact CD-CG 4.37Å; K85-E108 HydrophobicContact CG-CG 4.06Å; E108-F124 WeakPolarHBondContact O-CA 3.41Å; E108-F124 WeakPolarHBondContact O-CD1 3.43Å; E108-K125 HydrophobicContact CB-CD 3.83Å; E108-K125 HydrophobicContact CB-CG 4.14Å; E108-K125 PolarHBondContact O-N 3Å; E108-K125 WeakPolarHBondContact OE2-CD 3.43Å; E108-K125 WeakPolarHBondContact OE2-CE 3.19Å; E108-K125 IonicContact OE2-NZ 3.04Å; E108-K125 PolarHBondContact OE2-NZ 3.29Å | ||
| 109 | V | 94.5 | Very high | 91.1 | Very high | 3 Ų | 3 | 51.6 Ų | 51.6 | 2% | 0.018 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 133.9 | 177.9 | -179.3 | 0 | 0 | 0 | 0 | 109.8 | V81 N84 L105 V122 F124 | V81-V109 HydrophobicContact CG1-CB 4.21Å; V81-V109 HydrophobicContact CG1-CG2 4.36Å; V81-V109 HydrophobicContact CG2-CB 4.32Å; V81-V109 HydrophobicContact CG2-CG1 4.17Å; V81-V109 HydrophobicContact CG2-CG2 4.25Å; N84-V109 PolarHBondContact O-N 3.11Å; L105-V109 HydrophobicContact CD1-CG2 3.46Å; L105-V109 VanDerWaalsContact CD1-CG2 3.46Å; V109-V122 HydrophobicContact CB-CG1 4.32Å; V109-V122 HydrophobicContact CG1-CG1 3.69Å; V109-V122 HydrophobicContact CG2-CG1 3.71Å; V109-F124 HydrophobicContact CG2-CD1 4.22Å; V109-F124 HydrophobicContact CG2-CE1 3.99Å |
| 110 | Y | 92.6 | Very high | 91.5 | Very high | 64 Ų | 64 | 42.8 Ų | 42.8 | 25% | 0.251 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | -54.3 | 168.7 | 177.8 | -94.4 | 0 | 0 | 0 | 110.5 | L123 I153 T156 | Y110-L123 WeakPolarHBondContact CA-O 3.33Å; Y110-L123 WeakPolarHBondContact CB-O 3.27Å; Y110-L123 HydrophobicContact CD1-CD2 3.82Å; Y110-L123 HydrophobicContact CD1-CG 4.35Å; Y110-L123 HydrophobicContact CE1-CD2 4.46Å; Y110-L123 PolarHBondContact N-O 3.02Å; Y110-I153 HydrophobicContact CD1-CG2 4.1Å; Y110-I153 HydrophobicContact CD2-CB 4.07Å; Y110-I153 HydrophobicContact CD2-CD1 4.43Å; Y110-I153 HydrophobicContact CD2-CG2 4.39Å; Y110-I153 HydrophobicContact CE1-CB 4.35Å; Y110-I153 HydrophobicContact CE1-CG2 3.63Å; Y110-I153 HydrophobicContact CE2-CB 3.77Å; Y110-I153 HydrophobicContact CE2-CG2 3.93Å; Y110-I153 WeakPolarHBondContact CE2-O 3.5Å; Y110-I153 HydrophobicContact CG-CB 4.47Å; Y110-I153 HydrophobicContact CG-CD1 4.2Å; Y110-I153 HydrophobicContact CG-CG2 4.46Å; Y110-I153 PolarHBondContact OH-O 3.09Å; Y110-T156 HydrophobicContact CD1-CG2 4.04Å; Y110-T156 HydrophobicContact CE1-CG2 3.51Å |
| 111 | R | 92.7 | Very high | 91.6 | Very high | 55 Ų | 55 | 42.2 Ų | 42.2 | 21% | 0.208 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 148.6 | -177.8 | -160.2 | 170 | -164.1 | 169.4 | 9.2 | 112.1 | E26 L113 L123 T156 | E26-R111 IonicContact OE1-NH2 2.77Å; R111-L113 HydrophobicContact CG-CD2 4.15Å; R111-L123 PolarHBondContact N-O 3.29Å; R111-L123 VanDerWaalsContact N-O 3.16Å; R111-L123 PolarHBondContact O-N 3.16Å; R111-T156 WeakPolarHBondContact CD-OG1 3.41Å; R111-T156 PolarHBondContact NH1-OG1 2.94Å |
| 112 | I | 94.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 134.6 | 165.4 | -49.6 | 166.5 | 0 | 0 | 0 | 107.7 | V70 I79 V81 P120 L121 | V70-I112 HydrophobicContact CG2-CB 3.9Å; V70-I112 HydrophobicContact CG2-CG2 3.46Å; V70-I112 VanDerWaalsContact CG2-CG2 3.46Å; I79-I112 HydrophobicContact CB-CD1 4.34Å; I79-I112 HydrophobicContact CG2-CD1 3.62Å; V81-I112 HydrophobicContact CG2-CD1 3.62Å; V81-I112 HydrophobicContact CG2-CG1 4.09Å; I112-P120 HydrophobicContact CG2-CB 4.23Å; I112-L121 CarbonylContact C-O 3.53Å; I112-L121 WeakPolarHBondContact CA-O 3.27Å |
| 113 | L | 92.4 | Very high | 91.8 | Very high | 13 Ų | 13 | 31.8 Ų | 31.8 | 7% | 0.068 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 129.3 | -177.7 | -61.4 | 169.4 | 0 | 0 | 0 | 108.7 | R111 P120 L121 F158 L167 | R111-L113 HydrophobicContact CG-CD2 4.15Å; L113-P120 WeakPolarHBondContact O-CA 3.44Å; L113-L121 PolarHBondContact N-O 3.43Å; L113-L121 PolarHBondContact O-N 3.17Å; L113-F158 HydrophobicContact CB-CB 4.03Å; L113-F158 HydrophobicContact CB-CD1 4.15Å; L113-F158 HydrophobicContact CB-CG 4.26Å; L113-F158 HydrophobicContact CD1-CB 4.27Å; L113-L167 HydrophobicContact CD1-CD1 3.24Å; L113-L167 HydrophobicContact CD1-CD2 4.28Å; L113-L167 HydrophobicContact CD1-CG 4.4Å |
| 114 | S | 91.6 | Very high | 91.9 | Very high | 19 Ų | 19 | 31.4 Ų | 31.4 | 13% | 0.133 | 18% | 0.179 | C | C | . | . | trans | -133.9 | 136.1 | 179 | -171 | 0 | 0 | 0 | 0 | 110.3 | C71 F73 | C71-S114 WeakPolarHBondContact O-CB 3.32Å; C71-S114 PolarHBondContact O-OG 2.97Å; F73-S114 VanDerWaalsContact CD2-OG 3.3Å; F73-S114 WeakPolarHBondContact CD2-OG 3.3Å; F73-S114 VanDerWaalsContact CE2-OG 3.28Å; F73-S114 WeakPolarHBondContact CE2-OG 3.2Å | ||
| 115 | V | 88.5 | Confident | 91.8 | Very high | 35 Ų | 35 | 31.8 Ų | 31.8 | 21% | 0.212 | 18% | 0.175 | C | C | . | . | trans | -137.7 | 147.8 | 173.9 | 172.2 | 0 | 0 | 0 | 0 | 108 | F73 G117 T118 F158 I160 | F73-V115 VanDerWaalsContact CD2-C 3.46Å; F73-V115 WeakPolarHBondContact CD2-O 3.43Å; V115-G117 PolarHBondContact O-N 3.32Å; V115-T118 PolarHBondContact O-N 3.13Å; V115-T118 PolarHBondContact O-OG1 3.43Å; V115-T118 VanDerWaalsContact O-OG1 3.12Å; V115-F158 HydrophobicContact CB-CD1 3.82Å; V115-F158 HydrophobicContact CB-CE1 3.87Å; V115-F158 HydrophobicContact CG2-CB 4.24Å; V115-F158 HydrophobicContact CG2-CD1 3.36Å; V115-F158 HydrophobicContact CG2-CE1 3.95Å; V115-F158 HydrophobicContact CG2-CG 4.01Å; V115-F158 WeakPolarHBondContact CG2-O 3.47Å; V115-I160 HydrophobicContact CG1-CD1 3.54Å; V115-I160 HydrophobicContact CG1-CG1 3.76Å | ||
| 116 | Q | 84.9 | Confident | 91.7 | Very high | 99 Ų | 99 | 35.2 Ų | 35.2 | 46% | 0.463 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 130.2 | -179.9 | -66.1 | -173.6 | -2 | 0 | 0 | 112.2 | F73 I160 | F73-Q116 HydrophobicContact CD1-CG 3.76Å; F73-Q116 HydrophobicContact CD2-CG 4.21Å; F73-Q116 HydrophobicContact CE1-CG 3.7Å; F73-Q116 HydrophobicContact CE2-CG 4.17Å; F73-Q116 HydrophobicContact CG-CB 4.46Å; F73-Q116 HydrophobicContact CG-CG 4.01Å; F73-Q116 HydrophobicContact CZ-CG 3.93Å; Q116-I160 WeakPolarHBondContact O-CD1 3.48Å |
| 117 | G | 81.4 | Confident | 91.6 | Very high | 65 Ų | 65 | 33.2 Ų | 33.2 | 67% | 0.67 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 89.4 | 2.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | V115 | V115-G117 PolarHBondContact O-N 3.32Š|
| 118 | T | 86.1 | Confident | 91.5 | Very high | 20 Ų | 20 | 32.3 Ų | 32.3 | 12% | 0.123 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -129.3 | 157.7 | 175.4 | 57.5 | 0 | 0 | 0 | 0 | 111.5 | V115 I160 P165 | V115-T118 PolarHBondContact O-N 3.13Å; V115-T118 PolarHBondContact O-OG1 3.43Å; V115-T118 VanDerWaalsContact O-OG1 3.12Å; T118-I160 HydrophobicContact CG2-CD1 4.04Å; T118-I160 HydrophobicContact CG2-CG1 4.38Å; T118-P165 HydrophobicContact CG2-CB 4.07Å; T118-P165 HydrophobicContact CG2-CG 4.08Å |
| 119 | E | 90.1 | Very high | 91.5 | Very high | 68 Ų | 68 | 28.9 Ų | 28.9 | 32% | 0.318 | 15% | 0.154 | S | C | . | . | trans | -65.5 | 147.8 | 168.8 | 65.8 | 174.4 | 178 | 0 | 0 | 110.3 | G131 | E119-G131 WeakPolarHBondContact OE1-CA 3.43Š| ||
| 120 | P | 93.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -61.3 | 142.3 | 172.1 | -24 | 35.1 | 0 | 0 | 0 | 111.9 | N72 I79 I112 L113 L132 | N72-P120 HydrophobicContact CB-CG 3.81Å; I79-P120 HydrophobicContact CD1-CB 4.01Å; I79-P120 HydrophobicContact CD1-CG 3.73Å; I112-P120 HydrophobicContact CG2-CB 4.23Å; L113-P120 WeakPolarHBondContact O-CA 3.44Å; P120-L132 HydrophobicContact CB-CB 4.33Å; P120-L132 HydrophobicContact CB-CD2 4.32Å; P120-L132 HydrophobicContact CG-CD2 4.14Å; P120-L132 WeakPolarHBondContact O-CB 3.43Å; P120-L132 PolarHBondContact O-N 3.31Å | ||
| 121 | L | 93.6 | Very high | 91.3 | Very high | 6 Ų | 6 | 28.8 Ų | 28.8 | 3% | 0.031 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 138.3 | 178.1 | -61.9 | 177 | 0 | 0 | 0 | 110.5 | I112 L113 V129 F158 F184 | I112-L121 CarbonylContact C-O 3.53Å; I112-L121 WeakPolarHBondContact CA-O 3.27Å; L113-L121 PolarHBondContact N-O 3.43Å; L113-L121 PolarHBondContact O-N 3.17Å; L121-V129 HydrophobicContact CB-CG1 4.15Å; L121-V129 HydrophobicContact CD1-CG1 4.45Å; L121-F158 HydrophobicContact CD1-CD2 4.11Å; L121-F158 HydrophobicContact CD1-CE1 4.09Å; L121-F158 HydrophobicContact CD1-CE2 3.43Å; L121-F158 VanDerWaalsContact CD1-CE2 3.43Å; L121-F158 HydrophobicContact CD1-CZ 3.43Å; L121-F158 VanDerWaalsContact CD1-CZ 3.43Å; L121-F158 HydrophobicContact CG-CE1 4.5Å; L121-F158 HydrophobicContact CG-CZ 4.17Å; L121-F184 HydrophobicContact CD1-CD2 4.17Å; L121-F184 HydrophobicContact CD1-CE1 3.87Å; L121-F184 HydrophobicContact CD1-CE2 3.43Å; L121-F184 VanDerWaalsContact CD1-CE2 3.43Å; L121-F184 HydrophobicContact CD1-CZ 3.27Å; L121-F184 HydrophobicContact CD2-CD1 4.48Å; L121-F184 HydrophobicContact CD2-CE1 4.05Å; L121-F184 HydrophobicContact CD2-CZ 4.31Å; L121-F184 HydrophobicContact CG-CZ 4.39Å |
| 122 | V | 94.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 116.6 | 175.8 | -175.7 | 0 | 0 | 0 | 0 | 108.5 | V109 F124 V129 R130 L135 | V109-V122 HydrophobicContact CB-CG1 4.32Å; V109-V122 HydrophobicContact CG1-CG1 3.69Å; V109-V122 HydrophobicContact CG2-CG1 3.71Å; V122-F124 HydrophobicContact CB-CE2 4.45Å; V122-F124 HydrophobicContact CG1-CE1 4.43Å; V122-F124 HydrophobicContact CG1-CE2 4.08Å; V122-F124 HydrophobicContact CG1-CZ 4.01Å; V122-V129 WeakPolarHBondContact O-CA 3.28Å; V122-R130 PolarHBondContact N-O 3.38Å; V122-R130 PolarHBondContact O-N 3.34Å; V122-R130 VanDerWaalsContact O-N 3.07Å; V122-L135 HydrophobicContact CB-CD1 3.52Å; V122-L135 HydrophobicContact CG1-CD1 4.11Å; V122-L135 HydrophobicContact CG2-CD1 3.5Å |
| 123 | L | 94.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 122.4 | 172.6 | 173.1 | 65.1 | 0 | 0 | 0 | 109 | Y110 R111 V129 I153 T156 F169 | Y110-L123 WeakPolarHBondContact CA-O 3.33Å; Y110-L123 WeakPolarHBondContact CB-O 3.27Å; Y110-L123 HydrophobicContact CD1-CD2 3.82Å; Y110-L123 HydrophobicContact CD1-CG 4.35Å; Y110-L123 HydrophobicContact CE1-CD2 4.46Å; Y110-L123 PolarHBondContact N-O 3.02Å; R111-L123 PolarHBondContact N-O 3.29Å; R111-L123 VanDerWaalsContact N-O 3.16Å; R111-L123 PolarHBondContact O-N 3.16Å; L123-V129 HydrophobicContact CB-CG2 4.49Å; L123-V129 HydrophobicContact CD1-CG2 3.56Å; L123-I153 HydrophobicContact CD1-CD1 4.29Å; L123-I153 HydrophobicContact CD2-CD1 4.25Å; L123-I153 HydrophobicContact CG-CD1 4.3Å; L123-T156 HydrophobicContact CD2-CG2 3.39Å; L123-F169 HydrophobicContact CD1-CD1 4.39Å; L123-F169 HydrophobicContact CD1-CE1 4.39Å; L123-F169 HydrophobicContact CD2-CB 4.38Å |
| 124 | F | 95.1 | Very high | 91.1 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 0% | 0.004 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 157.2 | 177 | -66.4 | -87.8 | 0 | 0 | 0 | 111.2 | L105 A107 E108 V109 V122 E126 G127 A128 R130 L135 I143 | L105-F124 HydrophobicContact CB-CE1 4.45Å; L105-F124 HydrophobicContact CD1-CE1 4.21Å; L105-F124 HydrophobicContact CD1-CZ 4.37Å; A107-F124 HydrophobicContact CB-CD1 3.71Å; A107-F124 HydrophobicContact CB-CE1 4.07Å; E108-F124 WeakPolarHBondContact O-CA 3.41Å; E108-F124 WeakPolarHBondContact O-CD1 3.43Å; V109-F124 HydrophobicContact CG2-CD1 4.22Å; V109-F124 HydrophobicContact CG2-CE1 3.99Å; V122-F124 HydrophobicContact CB-CE2 4.45Å; V122-F124 HydrophobicContact CG1-CE1 4.43Å; V122-F124 HydrophobicContact CG1-CE2 4.08Å; V122-F124 HydrophobicContact CG1-CZ 4.01Å; F124-E126 PolarHBondContact O-N 3.11Å; F124-G127 PolarHBondContact O-N 3.06Å; F124-A128 HydrophobicContact CD2-CB 4.4Å; F124-A128 WeakPolarHBondContact CD2-O 3.34Å; F124-A128 PolarHBondContact N-O 2.95Å; F124-R130 HydrophobicContact CE2-CB 4.3Å; F124-R130 HydrophobicContact CE2-CG 4.1Å; F124-L135 HydrophobicContact CE2-CD1 4.27Å; F124-L135 HydrophobicContact CE2-CD2 4.26Å; F124-L135 HydrophobicContact CZ-CD1 4.13Å; F124-L135 HydrophobicContact CZ-CD2 3.85Å; F124-I143 HydrophobicContact CB-CG2 4.23Å; F124-I143 HydrophobicContact CD1-CG2 4.36Å; F124-I143 HydrophobicContact CD2-CD1 4.3Å; F124-I143 HydrophobicContact CD2-CG1 4.49Å; F124-I143 HydrophobicContact CD2-CG2 3.87Å; F124-I143 HydrophobicContact CE1-CD1 4.48Å; F124-I143 HydrophobicContact CE1-CG1 4.17Å; F124-I143 HydrophobicContact CE2-CD1 3.7Å; F124-I143 HydrophobicContact CE2-CG1 4.17Å; F124-I143 HydrophobicContact CE2-CG2 4.34Å; F124-I143 HydrophobicContact CG-CG2 3.89Å; F124-I143 HydrophobicContact CZ-CD1 3.8Å; F124-I143 HydrophobicContact CZ-CG1 3.99Å |
| 125 | K | 92.4 | Very high | 91.1 | Very high | 73 Ų | 73 | 31.8 Ų | 31.8 | 32% | 0.317 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -31 | 178.6 | -69.7 | -172.1 | -177.1 | 172 | 0 | 112.8 | E108 G127 I147 | E108-K125 HydrophobicContact CB-CD 3.83Å; E108-K125 HydrophobicContact CB-CG 4.14Å; E108-K125 PolarHBondContact O-N 3Å; E108-K125 WeakPolarHBondContact OE2-CD 3.43Å; E108-K125 WeakPolarHBondContact OE2-CE 3.19Å; E108-K125 IonicContact OE2-NZ 3.04Å; E108-K125 PolarHBondContact OE2-NZ 3.29Å; K125-G127 PolarHBondContact O-N 2.91Å; K125-I147 VanDerWaalsContact O-CD1 3.24Å; K125-I147 WeakPolarHBondContact O-CD1 3.5Å |
| 126 | E | 92.3 | Very high | 91.3 | Very high | 78 Ų | 78 | 32.3 Ų | 32.3 | 36% | 0.364 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | 11 | 176.7 | -54 | -58.6 | 158.7 | 0 | 0 | 114 | F124 A128 T145 V146 I147 | F124-E126 PolarHBondContact O-N 3.11Å; E126-A128 VanDerWaalsContact C-N 3.3Å; E126-A128 PolarHBondContact O-N 3.27Å; E126-T145 HydrophobicContact CB-CG2 4.06Å; E126-T145 HydrophobicContact CG-CG2 4.08Å; E126-V146 PolarHBondContact O-N 3.03Å; E126-I147 PolarHBondContact O-N 3.37Å |
| 127 | G | 90.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | S | Bend | trans | 82.1 | -7.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | F124 K125 | F124-G127 PolarHBondContact O-N 3.06Å; K125-G127 PolarHBondContact O-N 2.91Å |
| 128 | A | 91.9 | Very high | 92.2 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.008 | 18% | 0.184 | C | C | . | . | trans | -67.2 | 147.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | F124 E126 I143 E144 V146 | F124-A128 HydrophobicContact CD2-CB 4.4Å; F124-A128 WeakPolarHBondContact CD2-O 3.34Å; F124-A128 PolarHBondContact N-O 2.95Å; E126-A128 VanDerWaalsContact C-N 3.3Å; E126-A128 PolarHBondContact O-N 3.27Å; A128-I143 HydrophobicContact CB-CG2 3.5Å; A128-E144 HydrophobicContact CB-CG 4.07Å; A128-E144 VanDerWaalsContact CB-O 3.24Å; A128-E144 WeakPolarHBondContact CB-O 3.39Å; A128-V146 HydrophobicContact CB-CG2 4.09Å | ||
| 129 | V | 92.8 | Very high | 92.4 | Very high | 6 Ų | 6 | 33.5 Ų | 33.5 | 4% | 0.036 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 135.3 | -179.6 | -173.2 | 0 | 0 | 0 | 0 | 109.8 | L121 V122 L123 L167 F184 | L121-V129 HydrophobicContact CB-CG1 4.15Å; L121-V129 HydrophobicContact CD1-CG1 4.45Å; V122-V129 WeakPolarHBondContact O-CA 3.28Å; L123-V129 HydrophobicContact CB-CG2 4.49Å; L123-V129 HydrophobicContact CD1-CG2 3.56Å; V129-L167 HydrophobicContact CB-CD2 4.31Å; V129-L167 HydrophobicContact CG1-CD2 3.88Å; V129-L167 HydrophobicContact CG2-CD2 3.54Å; V129-F184 HydrophobicContact CG1-CE1 3.88Å; V129-F184 HydrophobicContact CG1-CZ 3.79Å |
| 130 | R | 92.4 | Very high | 92.5 | Very high | 55 Ų | 55 | 36 Ų | 36 | 21% | 0.208 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 146.4 | 177.1 | -62.8 | -65.8 | -178.7 | -98.9 | 5.2 | 110.7 | V122 F124 L135 I143 E144 | V122-R130 PolarHBondContact N-O 3.38Å; V122-R130 PolarHBondContact O-N 3.34Å; V122-R130 VanDerWaalsContact O-N 3.07Å; F124-R130 HydrophobicContact CE2-CB 4.3Å; F124-R130 HydrophobicContact CE2-CG 4.1Å; R130-L135 HydrophobicContact CB-CD1 3.72Å; R130-L135 HydrophobicContact CB-CD2 4.03Å; R130-L135 HydrophobicContact CB-CG 3.66Å; R130-L135 HydrophobicContact CG-CD2 4.26Å; R130-L135 HydrophobicContact CG-CG 4.42Å; R130-I143 HydrophobicContact CG-CD1 3.97Å; R130-E144 IonicContact CZ-OE1 2.72Å; R130-E144 IonicContact NH1-OE1 3.71Å; R130-E144 PolarHBondContact NH1-OE1 3.4Å; R130-E144 IonicContact NH2-OE1 2.74Å; R130-E144 PolarHBondContact NH2-OE1 3Å; R130-E144 IonicContact NH2-OE2 2.64Å |
| 131 | G | 92.1 | Very high | 92.4 | Very high | 10 Ų | 10 | 37.7 Ų | 37.7 | 10% | 0.103 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 147 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111 | E119 E133 A134 L135 | E119-G131 WeakPolarHBondContact OE1-CA 3.43Å; G131-E133 PolarHBondContact O-N 3.35Å; G131-A134 PolarHBondContact O-N 3.02Å; G131-L135 PolarHBondContact O-N 3Å |
| 132 | L | 92.8 | Very high | 92.3 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.4 | -45.6 | -177.9 | -178.1 | 69 | 0 | 0 | 0 | 112.2 | I79 L87 P120 A134 L135 L136 | I79-L132 HydrophobicContact CD1-CD1 4.46Å; I79-L132 HydrophobicContact CD1-CD2 3.32Å; I79-L132 HydrophobicContact CD1-CG 4.49Å; I79-L132 HydrophobicContact CG1-CD2 4.35Å; L87-L132 HydrophobicContact CD1-CD1 3.72Å; L87-L132 HydrophobicContact CD2-CD1 4.4Å; P120-L132 HydrophobicContact CB-CB 4.33Å; P120-L132 HydrophobicContact CB-CD2 4.32Å; P120-L132 HydrophobicContact CG-CD2 4.14Å; P120-L132 WeakPolarHBondContact O-CB 3.43Å; P120-L132 PolarHBondContact O-N 3.31Å; L132-A134 VanDerWaalsContact C-N 3.33Å; L132-A134 PolarHBondContact O-N 3.46Å; L132-L135 CarbonylContact O-C 3.53Å; L132-L135 WeakPolarHBondContact O-CA 3.33Å; L132-L135 WeakPolarHBondContact O-CB 3.24Å; L132-L135 PolarHBondContact O-N 3.4Å; L132-L136 HydrophobicContact CD1-CD1 4.31Å; L132-L136 HydrophobicContact CD1-CG 4.21Å; L132-L136 HydrophobicContact CD2-CD1 4.36Å; L132-L136 HydrophobicContact CG-CD1 3.91Å; L132-L136 HydrophobicContact CG-CG 4.18Å; L132-L136 WeakPolarHBondContact O-CG 3.49Å; L132-L136 PolarHBondContact O-N 3.31Å |
| 133 | E | 91.1 | Very high | 92.1 | Very high | 92 Ų | 92 | 47.7 Ų | 47.7 | 43% | 0.43 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.2 | -41.8 | -176.2 | -63.2 | -57.4 | 144.3 | 0 | 0 | 112 | G131 L135 L136 A137 | G131-E133 PolarHBondContact O-N 3.35Å; E133-L135 VanDerWaalsContact C-N 3.29Å; E133-L135 PolarHBondContact O-N 3.27Å; E133-L136 PolarHBondContact O-N 2.86Å; E133-A137 PolarHBondContact O-N 3.48Å |
| 134 | A | 90.2 | Very high | 91.9 | Very high | 54 Ų | 54 | 52.7 Ų | 52.7 | 45% | 0.446 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.2 | -33.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | G131 L132 D138 Q141 | G131-A134 PolarHBondContact O-N 3.02Å; L132-A134 VanDerWaalsContact C-N 3.33Å; L132-A134 PolarHBondContact O-N 3.46Å; A134-D138 PolarHBondContact O-N 3.36Å; A134-Q141 PolarHBondContact O-NE2 2.89Å; A134-Q141 VanDerWaalsContact O-NE2 3.09Å |
| 135 | L | 92.3 | Very high | 91.6 | Very high | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -73.1 | -36 | 174.3 | -78.2 | 169.1 | 0 | 0 | 0 | 112.7 | L105 V122 F124 R130 G131 L132 E133 D138 P139 Q141 I143 | L105-L135 HydrophobicContact CD2-CD2 4.31Å; V122-L135 HydrophobicContact CB-CD1 3.52Å; V122-L135 HydrophobicContact CG1-CD1 4.11Å; V122-L135 HydrophobicContact CG2-CD1 3.5Å; F124-L135 HydrophobicContact CE2-CD1 4.27Å; F124-L135 HydrophobicContact CE2-CD2 4.26Å; F124-L135 HydrophobicContact CZ-CD1 4.13Å; F124-L135 HydrophobicContact CZ-CD2 3.85Å; R130-L135 HydrophobicContact CB-CD1 3.72Å; R130-L135 HydrophobicContact CB-CD2 4.03Å; R130-L135 HydrophobicContact CB-CG 3.66Å; R130-L135 HydrophobicContact CG-CD2 4.26Å; R130-L135 HydrophobicContact CG-CG 4.42Å; G131-L135 PolarHBondContact O-N 3Å; L132-L135 CarbonylContact O-C 3.53Å; L132-L135 WeakPolarHBondContact O-CA 3.33Å; L132-L135 WeakPolarHBondContact O-CB 3.24Å; L132-L135 PolarHBondContact O-N 3.4Å; E133-L135 VanDerWaalsContact C-N 3.29Å; E133-L135 PolarHBondContact O-N 3.27Å; L135-D138 CarbonylContact O-C 3.59Å; L135-P139 WeakPolarHBondContact O-CA 3.43Å; L135-P139 WeakPolarHBondContact O-CD 3.46Å; L135-P139 WeakPolarHBondContact O-CG 3.33Å; L135-Q141 HydrophobicContact CD2-CG 4.35Å; L135-I143 HydrophobicContact CD2-CD1 4.31Å |
| 136 | L | 91.6 | Very high | 91.4 | Very high | 46 Ų | 46 | 56 Ų | 56 | 24% | 0.241 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -71.8 | -32.4 | 178.3 | -67.2 | 178.6 | 0 | 0 | 0 | 112.1 | L87 I89 F101 L132 E133 | L87-L136 HydrophobicContact CD2-CD2 4.24Å; I89-L136 HydrophobicContact CD1-CD1 3.64Å; I89-L136 HydrophobicContact CD1-CD2 3.95Å; I89-L136 HydrophobicContact CD1-CG 4.41Å; F101-L136 HydrophobicContact CE1-CD2 3.62Å; F101-L136 HydrophobicContact CZ-CD2 4.1Å; L132-L136 HydrophobicContact CD1-CD1 4.31Å; L132-L136 HydrophobicContact CD1-CG 4.21Å; L132-L136 HydrophobicContact CD2-CD1 4.36Å; L132-L136 HydrophobicContact CG-CD1 3.91Å; L132-L136 HydrophobicContact CG-CG 4.18Å; L132-L136 WeakPolarHBondContact O-CG 3.49Å; L132-L136 PolarHBondContact O-N 3.31Å; E133-L136 PolarHBondContact O-N 2.86Å |
| 137 | A | 92.7 | Very high | 91.4 | Very high | 91 Ų | 91 | 52.7 Ų | 52.7 | 75% | 0.752 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -66.6 | -38.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | E133 | E133-A137 PolarHBondContact O-N 3.48Å |
| 138 | D | 93.2 | Very high | 91.2 | Very high | 84 Ų | 84 | 54.5 Ų | 54.5 | 45% | 0.449 | 30% | 0.299 | S | S | . | . | trans | -141.4 | 88.3 | 173.6 | -176.7 | 10.5 | 0 | 0 | 0 | 111.6 | A134 L135 Q140 Q141 | A134-D138 PolarHBondContact O-N 3.36Å; L135-D138 CarbonylContact O-C 3.59Å; D138-Q140 PolarHBondContact O-N 2.96Å; D138-Q140 PolarHBondContact OD1-N 3.05Å; D138-Q141 HydrophobicContact CB-CB 4.28Å; D138-Q141 WeakPolarHBondContact O-CB 3.38Å; D138-Q141 WeakPolarHBondContact O-CG 3.39Å; D138-Q141 PolarHBondContact O-N 2.95Å; D138-Q141 PolarHBondContact O-NE2 3.18Å; D138-Q141 PolarHBondContact OD1-N 3Å; D138-Q141 WeakPolarHBondContact OD2-CB 3.47Å | ||
| 139 | P | 91 | Very high | 90.7 | Very high | 35 Ų | 35 | 61.7 Ų | 61.7 | 23% | 0.227 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -22.7 | -178 | -24 | 34.5 | 0 | 0 | 0 | 114.3 | A103 L105 S106 L135 | A103-P139 HydrophobicContact CB-CB 4.35Å; A103-P139 HydrophobicContact CB-CG 4.26Å; L105-P139 WeakPolarHBondContact CA-O 3.4Å; L105-P139 HydrophobicContact CD2-CB 4.35Å; S106-P139 PolarHBondContact N-O 3.12Å; L135-P139 WeakPolarHBondContact O-CA 3.43Å; L135-P139 WeakPolarHBondContact O-CD 3.46Å; L135-P139 WeakPolarHBondContact O-CG 3.33Å |
| 140 | Q | 92.1 | Very high | 90.5 | Very high | 120 Ų | 120 | 66.7 Ų | 66.7 | 56% | 0.561 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | 12.1 | -177.7 | -68.1 | -65.6 | -45.3 | 0 | 0 | 112.4 | T104 D138 | T104-Q140 PolarHBondContact O-NE2 3.41Å; D138-Q140 PolarHBondContact O-N 2.96Å; D138-Q140 PolarHBondContact OD1-N 3.05Å |
| 141 | Q | 90.9 | Very high | 90.4 | Very high | 35 Ų | 35 | 64.8 Ų | 64.8 | 16% | 0.164 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -54.8 | 149.9 | 175.7 | 73 | -174.3 | -85.4 | 0 | 0 | 111.8 | S106 A134 L135 D138 I143 | S106-Q141 WeakPolarHBondContact CB-O 3.27Å; S106-Q141 PolarHBondContact OG-O 2.94Å; A134-Q141 PolarHBondContact O-NE2 2.89Å; A134-Q141 VanDerWaalsContact O-NE2 3.09Å; L135-Q141 HydrophobicContact CD2-CG 4.35Å; D138-Q141 HydrophobicContact CB-CB 4.28Å; D138-Q141 WeakPolarHBondContact O-CB 3.38Å; D138-Q141 WeakPolarHBondContact O-CG 3.39Å; D138-Q141 PolarHBondContact O-N 2.95Å; D138-Q141 PolarHBondContact O-NE2 3.18Å; D138-Q141 PolarHBondContact OD1-N 3Å; D138-Q141 WeakPolarHBondContact OD2-CB 3.47Å; Q141-I143 HydrophobicContact CG-CD1 3.93Å; Q141-I143 PolarHBondContact O-N 2.88Å |
| 142 | K | 90.8 | Very high | 90.4 | Very high | 193 Ų | 193 | 68.3 Ų | 68.3 | 84% | 0.839 | 37% | 0.374 | S | S | * | . | P | Polyproline II helix | trans | -70.4 | 122 | 176.6 | -170.2 | 178.6 | 179.2 | -176.4 | 0 | 110.1 | ||
| 143 | I | 91.2 | Very high | 90.5 | Very high | 24 Ų | 24 | 68.7 Ų | 68.7 | 12% | 0.123 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -94.4 | 132.9 | 173.6 | -57.3 | -59.4 | 0 | 0 | 0 | 108.8 | S106 A107 F124 A128 R130 L135 Q141 | S106-I143 WeakPolarHBondContact OG-CG1 3.37Å; A107-I143 HydrophobicContact CB-CB 3.89Å; A107-I143 HydrophobicContact CB-CG1 3.98Å; A107-I143 HydrophobicContact CB-CG2 4.17Å; F124-I143 HydrophobicContact CB-CG2 4.23Å; F124-I143 HydrophobicContact CD1-CG2 4.36Å; F124-I143 HydrophobicContact CD2-CD1 4.3Å; F124-I143 HydrophobicContact CD2-CG1 4.49Å; F124-I143 HydrophobicContact CD2-CG2 3.87Å; F124-I143 HydrophobicContact CE1-CD1 4.48Å; F124-I143 HydrophobicContact CE1-CG1 4.17Å; F124-I143 HydrophobicContact CE2-CD1 3.7Å; F124-I143 HydrophobicContact CE2-CG1 4.17Å; F124-I143 HydrophobicContact CE2-CG2 4.34Å; F124-I143 HydrophobicContact CG-CG2 3.89Å; F124-I143 HydrophobicContact CZ-CD1 3.8Å; F124-I143 HydrophobicContact CZ-CG1 3.99Å; A128-I143 HydrophobicContact CB-CG2 3.5Å; R130-I143 HydrophobicContact CG-CD1 3.97Å; L135-I143 HydrophobicContact CD2-CD1 4.31Å; Q141-I143 HydrophobicContact CG-CD1 3.93Å; Q141-I143 PolarHBondContact O-N 2.88Å |
| 144 | E | 89.6 | Confident | 90.5 | Very high | 105 Ų | 105 | 69.2 Ų | 69.2 | 49% | 0.491 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -83.9 | 153.9 | 179.9 | 68.8 | -152.1 | 145.6 | 0 | 0 | 111.7 | A128 R130 V146 | A128-E144 HydrophobicContact CB-CG 4.07Å; A128-E144 VanDerWaalsContact CB-O 3.24Å; A128-E144 WeakPolarHBondContact CB-O 3.39Å; R130-E144 IonicContact CZ-OE1 2.72Å; R130-E144 IonicContact NH1-OE1 3.71Å; R130-E144 PolarHBondContact NH1-OE1 3.4Å; R130-E144 IonicContact NH2-OE1 2.74Å; R130-E144 PolarHBondContact NH2-OE1 3Å; R130-E144 IonicContact NH2-OE2 2.64Å; E144-V146 HydrophobicContact CG-CG2 3.94Å |
| 145 | T | 89.9 | Confident | 90.6 | Very high | 99 Ų | 99 | 68.4 Ų | 68.4 | 61% | 0.607 | 36% | 0.362 | S | S | * | . | trans | -92.9 | 114 | 172.5 | 42.6 | 0 | 0 | 0 | 0 | 108.9 | E126 | E126-T145 HydrophobicContact CB-CG2 4.06Å; E126-T145 HydrophobicContact CG-CG2 4.08Å | ||
| 146 | V | 88.5 | Confident | 90.7 | Very high | 44 Ų | 44 | 68.7 Ų | 68.7 | 27% | 0.267 | 36% | 0.363 | S | S | . | . | trans | -98.2 | -38.3 | -175.6 | 174.7 | 0 | 0 | 0 | 0 | 111.5 | E126 A128 E144 L189 | E126-V146 PolarHBondContact O-N 3.03Å; A128-V146 HydrophobicContact CB-CG2 4.09Å; E144-V146 HydrophobicContact CG-CG2 3.94Å; V146-L189 HydrophobicContact CG1-CD2 3.22Å | ||
| 147 | I | 91 | Very high | 90.7 | Very high | 8 Ų | 8 | 68.2 Ų | 68.2 | 4% | 0.041 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -97.1 | 160.7 | 177.9 | 69.9 | -176.6 | 0 | 0 | 0 | 109.9 | K125 E126 E151 I153 F169 T171 Y180 | K125-I147 VanDerWaalsContact O-CD1 3.24Å; K125-I147 WeakPolarHBondContact O-CD1 3.5Å; E126-I147 PolarHBondContact O-N 3.37Å; I147-E151 HydrophobicContact CB-CB 4.1Å; I147-E151 HydrophobicContact CD1-CB 4.38Å; I147-E151 WeakPolarHBondContact CD1-O 3.35Å; I147-E151 HydrophobicContact CG1-CB 4.4Å; I147-I153 HydrophobicContact CD1-CD1 4.42Å; I147-I153 HydrophobicContact CD1-CG1 4.01Å; I147-F169 HydrophobicContact CG2-CE2 4.04Å; I147-T171 HydrophobicContact CG2-CG2 4.13Å; I147-Y180 HydrophobicContact CG2-CE1 4.42Å; I147-Y180 HydrophobicContact CG2-CE2 4.08Å |
| 148 | S | 87.5 | Confident | 90.6 | Very high | 39 Ų | 39 | 64.8 Ų | 64.8 | 27% | 0.273 | 33% | 0.328 | S | S | . | . | trans | -75.1 | 152.4 | 175.6 | 71.6 | 0 | 0 | 0 | 0 | 111.5 | E150 E151 K173 | S148-E150 PolarHBondContact O-N 3.33Å; S148-E151 WeakPolarHBondContact O-CB 3.37Å; S148-E151 PolarHBondContact O-N 3.34Å; S148-E151 WeakPolarHBondContact OG-CG 3.44Å; S148-K173 PolarHBondContact OG-NZ 3.24Å | ||
| 149 | D | 81.8 | Confident | 90.4 | Very high | 153 Ų | 153 | 61.8 Ų | 61.8 | 82% | 0.818 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -22.3 | -177.1 | -55.5 | -9.6 | 0 | 0 | 0 | 115.6 | ||
| 150 | E | 87.4 | Confident | 90.2 | Very high | 111 Ų | 111 | 63.2 Ų | 63.2 | 52% | 0.519 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -6.5 | 178.3 | -61.5 | 170 | 160.8 | 0 | 0 | 113.7 | S148 K173 H174 | S148-E150 PolarHBondContact O-N 3.33Å; E150-K173 HydrophobicContact CB-CG 4.28Å; E150-K173 WeakPolarHBondContact OE2-CE 3.5Å; E150-K173 IonicContact OE2-NZ 2.84Å; E150-K173 PolarHBondContact OE2-NZ 2.89Å; E150-H174 IonicContact OE2-CE1 2.65Å; E150-H174 PolarHBondContact OE2-CE1 3.48Å; E150-H174 VanDerWaalsContact OE2-CE1 3.29Å |
| 151 | E | 91.9 | Very high | 89.8 | Confident | 14 Ų | 14 | 58.2 Ų | 58.2 | 7% | 0.065 | 29% | 0.293 | C | S | . | . | trans | -85.7 | 126.6 | 178.5 | -84.4 | 177.9 | -149.6 | 0 | 0 | 110.2 | I147 S148 T171 E172 K173 Y180 K191 | I147-E151 HydrophobicContact CB-CB 4.1Å; I147-E151 HydrophobicContact CD1-CB 4.38Å; I147-E151 WeakPolarHBondContact CD1-O 3.35Å; I147-E151 HydrophobicContact CG1-CB 4.4Å; S148-E151 WeakPolarHBondContact O-CB 3.37Å; S148-E151 PolarHBondContact O-N 3.34Å; S148-E151 WeakPolarHBondContact OG-CG 3.44Å; E151-T171 PolarHBondContact OE2-OG1 3.38Å; E151-E172 WeakPolarHBondContact CA-O 3.47Å; E151-K173 HydrophobicContact CG-CB 3.73Å; E151-K173 HydrophobicContact CG-CD 4.01Å; E151-K173 HydrophobicContact CG-CG 4.18Å; E151-Y180 PolarHBondContact OE2-OH 2.93Å; E151-K191 IonicContact OE1-NZ 2.87Å; E151-K191 PolarHBondContact OE1-NZ 3.22Å; E151-K191 IonicContact OE2-NZ 3.29Å | ||
| 152 | V | 91.8 | Very high | 89.3 | Confident | 85 Ų | 85 | 62 Ų | 62 | 52% | 0.515 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 130.9 | 178.2 | -178.7 | 0 | 0 | 0 | 0 | 110.5 | K154 T171 E172 | V152-K154 PolarHBondContact O-N 3.32Å; V152-T171 CarbonylContact O-C 3.53Å; V152-T171 VanDerWaalsContact O-CA 3.22Å; V152-T171 WeakPolarHBondContact O-CA 3.32Å; V152-E172 PolarHBondContact N-O 3.44Å; V152-E172 PolarHBondContact O-N 3.5Å |
| 153 | I | 93.6 | Very high | 88.8 | Confident | 8 Ų | 8 | 64 Ų | 64 | 4% | 0.041 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 124.1 | 175.7 | -53.2 | 173.8 | 0 | 0 | 0 | 110 | Y110 L123 I147 T156 F169 T171 | Y110-I153 HydrophobicContact CD1-CG2 4.1Å; Y110-I153 HydrophobicContact CD2-CB 4.07Å; Y110-I153 HydrophobicContact CD2-CD1 4.43Å; Y110-I153 HydrophobicContact CD2-CG2 4.39Å; Y110-I153 HydrophobicContact CE1-CB 4.35Å; Y110-I153 HydrophobicContact CE1-CG2 3.63Å; Y110-I153 HydrophobicContact CE2-CB 3.77Å; Y110-I153 HydrophobicContact CE2-CG2 3.93Å; Y110-I153 WeakPolarHBondContact CE2-O 3.5Å; Y110-I153 HydrophobicContact CG-CB 4.47Å; Y110-I153 HydrophobicContact CG-CD1 4.2Å; Y110-I153 HydrophobicContact CG-CG2 4.46Å; Y110-I153 PolarHBondContact OH-O 3.09Å; L123-I153 HydrophobicContact CD1-CD1 4.29Å; L123-I153 HydrophobicContact CD2-CD1 4.25Å; L123-I153 HydrophobicContact CG-CD1 4.3Å; I147-I153 HydrophobicContact CD1-CD1 4.42Å; I147-I153 HydrophobicContact CD1-CG1 4.01Å; I153-T156 HydrophobicContact CG2-CG2 3.92Å; I153-F169 HydrophobicContact CG1-CD2 4.37Å; I153-F169 HydrophobicContact CG2-CB 4.35Å; I153-F169 HydrophobicContact CG2-CD2 4.45Å; I153-T171 HydrophobicContact CG1-CG2 4.07Å |
| 154 | K | 91 | Very high | 88.5 | Confident | 103 Ų | 103 | 66.5 Ų | 66.5 | 45% | 0.448 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | -33.6 | -179.6 | -63.1 | -60.6 | -178.1 | 146.4 | 0 | 113.8 | V152 I170 E172 | V152-K154 PolarHBondContact O-N 3.32Å; K154-I170 PolarHBondContact N-O 3.41Å; K154-E172 HydrophobicContact CD-CB 4.48Å; K154-E172 WeakPolarHBondContact CE-OE2 3.16Å; K154-E172 HydrophobicContact CG-CB 3.88Å; K154-E172 IonicContact NZ-OE2 3.01Å; K154-E172 PolarHBondContact NZ-OE2 3.4Å |
| 155 | W | 93.1 | Very high | 88.4 | Confident | 38 Ų | 38 | 62.8 Ų | 62.8 | 14% | 0.144 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 148.9 | -173.3 | -176.7 | 92.3 | 0 | 0 | 0 | 111.4 | K157 I168 F169 I170 F207 A209 L218 | W155-K157 HydrophobicContact CH2-CB 3.22Å; W155-K157 HydrophobicContact CH2-CD 3.82Å; W155-K157 HydrophobicContact CH2-CG 4.14Å; W155-K157 HydrophobicContact CZ2-CB 3.6Å; W155-K157 HydrophobicContact CZ2-CD 3.66Å; W155-K157 HydrophobicContact CZ2-CG 4.27Å; W155-K157 HydrophobicContact CZ3-CB 3.79Å; W155-I168 HydrophobicContact CH2-CG2 4.2Å; W155-I168 HydrophobicContact CZ3-CG1 4.44Å; W155-I168 HydrophobicContact CZ3-CG2 3.75Å; W155-F169 CarbonylContact O-C 3.5Å; W155-F169 WeakPolarHBondContact O-CA 3.26Å; W155-F169 WeakPolarHBondContact O-CB 3.45Å; W155-I170 HydrophobicContact CB-CB 4.32Å; W155-I170 HydrophobicContact CB-CG1 4.48Å; W155-I170 HydrophobicContact CE3-CG1 3.84Å; W155-I170 HydrophobicContact CZ3-CG1 4.47Å; W155-I170 PolarHBondContact N-O 2.97Å; W155-I170 PolarHBondContact O-N 2.86Å; W155-F207 HydrophobicContact CB-CB 4.07Å; W155-F207 HydrophobicContact CB-CD2 4.03Å; W155-F207 HydrophobicContact CB-CG 4.32Å; W155-F207 HydrophobicContact CD2-CB 3.8Å; W155-F207 HydrophobicContact CE3-CB 4.48Å; W155-F207 HydrophobicContact CG-CB 3.6Å; W155-F207 HydrophobicContact CG-CD2 4.47Å; W155-F207 HydrophobicContact CG-CG 4.35Å; W155-F207 PolarHBondContact NE1-O 3.41Å; W155-A209 HydrophobicContact CH2-CB 3.48Å; W155-A209 VanDerWaalsContact CH2-CB 3.48Å; W155-A209 HydrophobicContact CZ2-CB 4.22Å; W155-A209 HydrophobicContact CZ3-CB 4.33Å; W155-L218 HydrophobicContact CH2-CD1 4.29Å; W155-L218 HydrophobicContact CZ3-CD1 4.03Å |
| 156 | T | 93.8 | Very high | 88.5 | Confident | 7 Ų | 7 | 58.1 Ų | 58.1 | 4% | 0.043 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 144.4 | -176.4 | 49.2 | 0 | 0 | 0 | 0 | 110.2 | Y110 R111 L123 I153 I168 F169 | Y110-T156 HydrophobicContact CD1-CG2 4.04Å; Y110-T156 HydrophobicContact CE1-CG2 3.51Å; R111-T156 WeakPolarHBondContact CD-OG1 3.41Å; R111-T156 PolarHBondContact NH1-OG1 2.94Å; L123-T156 HydrophobicContact CD2-CG2 3.39Å; I153-T156 HydrophobicContact CG2-CG2 3.92Å; T156-I168 WeakPolarHBondContact CA-O 3.37Å; T156-F169 HydrophobicContact CG2-CB 3.71Å |
| 157 | K | 91.9 | Very high | 88.7 | Confident | 36 Ų | 36 | 56 Ų | 56 | 16% | 0.157 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 144.6 | 167.9 | -163.4 | 154.6 | -175 | -178.8 | 0 | 111.6 | W155 F159 L167 I168 A209 Y313 | W155-K157 HydrophobicContact CH2-CB 3.22Å; W155-K157 HydrophobicContact CH2-CD 3.82Å; W155-K157 HydrophobicContact CH2-CG 4.14Å; W155-K157 HydrophobicContact CZ2-CB 3.6Å; W155-K157 HydrophobicContact CZ2-CD 3.66Å; W155-K157 HydrophobicContact CZ2-CG 4.27Å; W155-K157 HydrophobicContact CZ3-CB 3.79Å; K157-F159 HydrophobicContact CG-CD1 4.35Å; K157-L167 WeakPolarHBondContact O-CD1 3.15Å; K157-I168 HydrophobicContact CB-CG2 4.05Å; K157-I168 PolarHBondContact N-O 3.35Å; K157-I168 WeakPolarHBondContact O-CG2 3.28Å; K157-I168 PolarHBondContact O-N 3.48Å; K157-A209 PolarHBondContact NZ-O 2.87Å; K157-Y313 PolarHBondContact NZ-OH 3.48Å |
| 158 | F | 91.4 | Very high | 88.8 | Confident | 20 Ų | 20 | 55.7 Ų | 55.7 | 9% | 0.088 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 129.4 | -178.1 | -173.9 | -135.5 | 0 | 0 | 0 | 109.3 | L113 V115 L121 P165 V166 L167 F184 | L113-F158 HydrophobicContact CB-CB 4.03Å; L113-F158 HydrophobicContact CB-CD1 4.15Å; L113-F158 HydrophobicContact CB-CG 4.26Å; L113-F158 HydrophobicContact CD1-CB 4.27Å; V115-F158 HydrophobicContact CB-CD1 3.82Å; V115-F158 HydrophobicContact CB-CE1 3.87Å; V115-F158 HydrophobicContact CG2-CB 4.24Å; V115-F158 HydrophobicContact CG2-CD1 3.36Å; V115-F158 HydrophobicContact CG2-CE1 3.95Å; V115-F158 HydrophobicContact CG2-CG 4.01Å; V115-F158 WeakPolarHBondContact CG2-O 3.47Å; L121-F158 HydrophobicContact CD1-CD2 4.11Å; L121-F158 HydrophobicContact CD1-CE1 4.09Å; L121-F158 HydrophobicContact CD1-CE2 3.43Å; L121-F158 VanDerWaalsContact CD1-CE2 3.43Å; L121-F158 HydrophobicContact CD1-CZ 3.43Å; L121-F158 VanDerWaalsContact CD1-CZ 3.43Å; L121-F158 HydrophobicContact CG-CE1 4.5Å; L121-F158 HydrophobicContact CG-CZ 4.17Å; F158-P165 HydrophobicContact CE2-CB 3.48Å; F158-P165 VanDerWaalsContact CE2-CB 3.48Å; F158-P165 HydrophobicContact CZ-CB 3.43Å; F158-P165 VanDerWaalsContact CZ-CB 3.43Å; F158-V166 VanDerWaalsContact CD2-O 3.29Å; F158-V166 WeakPolarHBondContact CD2-O 3.44Å; F158-L167 HydrophobicContact CB-CD1 4.45Å; F158-L167 HydrophobicContact CD2-CB 4.07Å; F158-F184 HydrophobicContact CE2-CE2 4.15Å |
| 159 | F | 88.4 | Confident | 89.2 | Confident | 21 Ų | 21 | 53.8 Ų | 53.8 | 9% | 0.092 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 162.1 | -178.4 | 44.2 | -101.2 | 0 | 0 | 0 | 111.6 | K157 V161 V166 I168 V211 I216 | K157-F159 HydrophobicContact CG-CD1 4.35Å; F159-V161 HydrophobicContact CD2-CG2 3.47Å; F159-V161 VanDerWaalsContact CD2-CG2 3.47Å; F159-V161 HydrophobicContact CE2-CG2 3.68Å; F159-V166 HydrophobicContact CD2-CB 3.84Å; F159-V166 HydrophobicContact CD2-CG1 4.35Å; F159-V166 HydrophobicContact CE2-CB 3.44Å; F159-V166 VanDerWaalsContact CE2-CB 3.44Å; F159-V166 HydrophobicContact CE2-CG1 3.46Å; F159-V166 VanDerWaalsContact CE2-CG1 3.46Å; F159-V166 HydrophobicContact CE2-CG2 4.36Å; F159-V166 HydrophobicContact CZ-CB 4.24Å; F159-V166 HydrophobicContact CZ-CG1 3.86Å; F159-V166 PolarHBondContact N-O 3.08Å; F159-V166 PolarHBondContact O-N 3.46Å; F159-I168 HydrophobicContact CE1-CB 4.47Å; F159-I168 HydrophobicContact CE1-CG2 3.54Å; F159-I168 HydrophobicContact CZ-CG2 4.06Å; F159-V211 HydrophobicContact CB-CG1 4.29Å; F159-V211 HydrophobicContact CD2-CB 4.04Å; F159-V211 HydrophobicContact CD2-CG1 3.95Å; F159-V211 HydrophobicContact CD2-CG2 3.97Å; F159-V211 HydrophobicContact CE2-CB 4.11Å; F159-V211 HydrophobicContact CE2-CG2 3.75Å; F159-V211 HydrophobicContact CG-CB 4.34Å; F159-V211 HydrophobicContact CG-CG1 4.08Å; F159-V211 HydrophobicContact CZ-CB 4.49Å; F159-V211 HydrophobicContact CZ-CG2 4.37Å; F159-I216 HydrophobicContact CE1-CG2 4.28Å; F159-I216 HydrophobicContact CE2-CD1 4.15Å; F159-I216 HydrophobicContact CE2-CG1 4Å; F159-I216 HydrophobicContact CZ-CB 4.46Å; F159-I216 HydrophobicContact CZ-CD1 3.57Å; F159-I216 HydrophobicContact CZ-CG1 3.56Å; F159-I216 HydrophobicContact CZ-CG2 4.07Å |
| 160 | I | 87.4 | Confident | 89.8 | Confident | 65 Ų | 65 | 46.5 Ų | 46.5 | 33% | 0.333 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 120.1 | 175.1 | -66.3 | 174.6 | 0 | 0 | 0 | 109 | V115 Q116 T118 H164 | V115-I160 HydrophobicContact CG1-CD1 3.54Å; V115-I160 HydrophobicContact CG1-CG1 3.76Å; Q116-I160 WeakPolarHBondContact O-CD1 3.48Å; T118-I160 HydrophobicContact CG2-CD1 4.04Å; T118-I160 HydrophobicContact CG2-CG1 4.38Å; I160-H164 WeakPolarHBondContact CA-O 3.39Å |
| 161 | V | 84.1 | Confident | 90.1 | Very high | 14 Ų | 14 | 41.2 Ų | 41.2 | 9% | 0.085 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 120.7 | 173.4 | -163.6 | 0 | 0 | 0 | 0 | 109 | F159 R163 H164 V166 V211 I234 | F159-V161 HydrophobicContact CD2-CG2 3.47Å; F159-V161 VanDerWaalsContact CD2-CG2 3.47Å; F159-V161 HydrophobicContact CE2-CG2 3.68Å; V161-R163 VanDerWaalsContact C-N 3.25Å; V161-R163 PolarHBondContact O-N 3Å; V161-H164 PolarHBondContact N-O 3.3Å; V161-H164 WeakPolarHBondContact O-CA 3.49Å; V161-H164 WeakPolarHBondContact O-CB 3.44Å; V161-H164 PolarHBondContact O-N 3.02Å; V161-V166 HydrophobicContact CB-CG2 4.36Å; V161-V166 HydrophobicContact CG2-CB 4.3Å; V161-V166 HydrophobicContact CG2-CG2 3.91Å; V161-V211 HydrophobicContact CG1-CG2 4.48Å; V161-V211 HydrophobicContact CG2-CG1 4.37Å; V161-V211 HydrophobicContact CG2-CG2 3.56Å; V161-I234 HydrophobicContact CG1-CD1 3.93Å; V161-I234 HydrophobicContact CG2-CD1 4.23Å |
| 162 | F | 78.8 | Confident | 90.1 | Very high | 116 Ų | 116 | 42.9 Ų | 42.9 | 51% | 0.509 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.8 | 43.1 | -178.7 | -65.5 | -71.3 | 0 | 0 | 0 | 114.1 | H164 R213 | F162-H164 PolarHBondContact O-CD2 3.36Å; F162-H164 PolarHBondContact O-N 3.4Å; F162-R213 HydrophobicContact CE1-CG 4.44Å; F162-R213 HydrophobicContact CE2-CB 3.78Å; F162-R213 HydrophobicContact CE2-CG 4.06Å; F162-R213 WeakPolarHBondContact CE2-O 3.28Å; F162-R213 HydrophobicContact CZ-CB 3.69Å; F162-R213 HydrophobicContact CZ-CG 3.56Å |
| 163 | R | 80.3 | Confident | 89.9 | Confident | 234 Ų | 234 | 41.3 Ų | 41.3 | 88% | 0.883 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66 | 13.6 | -175.5 | -50.7 | -178.9 | 172.5 | -177.6 | -2.9 | 115.1 | V161 | V161-R163 VanDerWaalsContact C-N 3.25Å; V161-R163 PolarHBondContact O-N 3Å |
| 164 | H | 84.8 | Confident | 89.5 | Confident | 77 Ų | 77 | 48 Ų | 48 | 36% | 0.356 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 128.5 | 173.1 | -61.3 | -55.9 | 0 | 0 | 0 | 110.5 | I160 V161 F162 N185 | I160-H164 WeakPolarHBondContact CA-O 3.39Å; V161-H164 PolarHBondContact N-O 3.3Å; V161-H164 WeakPolarHBondContact O-CA 3.49Å; V161-H164 WeakPolarHBondContact O-CB 3.44Å; V161-H164 PolarHBondContact O-N 3.02Å; F162-H164 PolarHBondContact O-CD2 3.36Å; F162-H164 PolarHBondContact O-N 3.4Å; H164-N185 PolarHBondContact CD2-ND2 2.93Å; H164-N185 VanDerWaalsContact CG-ND2 3.29Å; H164-N185 PolarHBondContact ND1-ND2 3.21Å |
| 165 | P | 89.1 | Confident | 89 | Confident | 26 Ų | 26 | 44.8 Ų | 44.8 | 17% | 0.169 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 134.2 | 172.4 | 20.4 | -23.5 | 0 | 0 | 0 | 110.5 | T118 F158 F184 | T118-P165 HydrophobicContact CG2-CB 4.07Å; T118-P165 HydrophobicContact CG2-CG 4.08Å; F158-P165 HydrophobicContact CE2-CB 3.48Å; F158-P165 VanDerWaalsContact CE2-CB 3.48Å; F158-P165 HydrophobicContact CZ-CB 3.43Å; F158-P165 VanDerWaalsContact CZ-CB 3.43Å; P165-F184 HydrophobicContact CB-CD2 4.02Å; P165-F184 HydrophobicContact CG-CB 4.16Å; P165-F184 HydrophobicContact CG-CD2 4.15Å; P165-F184 HydrophobicContact CG-CG 4.46Å; P165-F184 WeakPolarHBondContact O-CD2 3.5Å |
| 166 | V | 90.4 | Very high | 88.8 | Confident | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.012 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 126.7 | 175.5 | -179.6 | 0 | 0 | 0 | 0 | 108.2 | F158 F159 V161 V181 Q182 M183 I216 | F158-V166 VanDerWaalsContact CD2-O 3.29Å; F158-V166 WeakPolarHBondContact CD2-O 3.44Å; F159-V166 HydrophobicContact CD2-CB 3.84Å; F159-V166 HydrophobicContact CD2-CG1 4.35Å; F159-V166 HydrophobicContact CE2-CB 3.44Å; F159-V166 VanDerWaalsContact CE2-CB 3.44Å; F159-V166 HydrophobicContact CE2-CG1 3.46Å; F159-V166 VanDerWaalsContact CE2-CG1 3.46Å; F159-V166 HydrophobicContact CE2-CG2 4.36Å; F159-V166 HydrophobicContact CZ-CB 4.24Å; F159-V166 HydrophobicContact CZ-CG1 3.86Å; F159-V166 PolarHBondContact N-O 3.08Å; F159-V166 PolarHBondContact O-N 3.46Å; V161-V166 HydrophobicContact CB-CG2 4.36Å; V161-V166 HydrophobicContact CG2-CB 4.3Å; V161-V166 HydrophobicContact CG2-CG2 3.91Å; V166-V181 HydrophobicContact CG1-CG1 3.83Å; V166-Q182 WeakPolarHBondContact CA-O 3.41Å; V166-M183 HydrophobicContact CG2-CG 4.23Å; V166-I216 HydrophobicContact CG1-CD1 4.35Å |
| 167 | L | 92.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 132.6 | 176.4 | 171 | 60 | 0 | 0 | 0 | 109.1 | L113 V129 K157 F158 F169 V181 Q182 F184 | L113-L167 HydrophobicContact CD1-CD1 3.24Å; L113-L167 HydrophobicContact CD1-CD2 4.28Å; L113-L167 HydrophobicContact CD1-CG 4.4Å; V129-L167 HydrophobicContact CB-CD2 4.31Å; V129-L167 HydrophobicContact CG1-CD2 3.88Å; V129-L167 HydrophobicContact CG2-CD2 3.54Å; K157-L167 WeakPolarHBondContact O-CD1 3.15Å; F158-L167 HydrophobicContact CB-CD1 4.45Å; F158-L167 HydrophobicContact CD2-CB 4.07Å; L167-F169 HydrophobicContact CG-CD1 4.42Å; L167-V181 WeakPolarHBondContact O-CA 3.34Å; L167-Q182 HydrophobicContact CB-CB 4.41Å; L167-Q182 PolarHBondContact N-O 3.43Å; L167-Q182 PolarHBondContact O-N 3.49Å; L167-F184 HydrophobicContact CB-CE2 3.8Å; L167-F184 HydrophobicContact CB-CZ 4.11Å; L167-F184 HydrophobicContact CD2-CZ 4.27Å |
| 168 | I | 94.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 137 | 167.9 | -177.2 | 169.7 | 0 | 0 | 0 | 109.9 | W155 T156 K157 F159 I170 Y180 V181 I216 I232 | W155-I168 HydrophobicContact CH2-CG2 4.2Å; W155-I168 HydrophobicContact CZ3-CG1 4.44Å; W155-I168 HydrophobicContact CZ3-CG2 3.75Å; T156-I168 WeakPolarHBondContact CA-O 3.37Å; K157-I168 HydrophobicContact CB-CG2 4.05Å; K157-I168 PolarHBondContact N-O 3.35Å; K157-I168 WeakPolarHBondContact O-CG2 3.28Å; K157-I168 PolarHBondContact O-N 3.48Å; F159-I168 HydrophobicContact CE1-CB 4.47Å; F159-I168 HydrophobicContact CE1-CG2 3.54Å; F159-I168 HydrophobicContact CZ-CG2 4.06Å; I168-I170 HydrophobicContact CD1-CD1 4.37Å; I168-I170 HydrophobicContact CG1-CD1 4.38Å; I168-Y180 VanDerWaalsContact CA-O 3.28Å; I168-Y180 WeakPolarHBondContact CA-O 3.37Å; I168-V181 HydrophobicContact CD1-CG2 4.2Å; I168-V181 HydrophobicContact CG1-CG2 4.21Å; I168-I216 HydrophobicContact CD1-CD1 4.49Å; I168-I216 HydrophobicContact CD1-CG2 4.07Å; I168-I232 HydrophobicContact CD1-CD1 3.54Å |
| 169 | F | 94.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 146.4 | 168.7 | 64.5 | -90.7 | 0 | 0 | 0 | 111.3 | L123 I147 I153 W155 T156 L167 T171 Y180 L189 | L123-F169 HydrophobicContact CD1-CD1 4.39Å; L123-F169 HydrophobicContact CD1-CE1 4.39Å; L123-F169 HydrophobicContact CD2-CB 4.38Å; I147-F169 HydrophobicContact CG2-CE2 4.04Å; I153-F169 HydrophobicContact CG1-CD2 4.37Å; I153-F169 HydrophobicContact CG2-CB 4.35Å; I153-F169 HydrophobicContact CG2-CD2 4.45Å; W155-F169 CarbonylContact O-C 3.5Å; W155-F169 WeakPolarHBondContact O-CA 3.26Å; W155-F169 WeakPolarHBondContact O-CB 3.45Å; T156-F169 HydrophobicContact CG2-CB 3.71Å; L167-F169 HydrophobicContact CG-CD1 4.42Å; F169-T171 HydrophobicContact CD2-CG2 3.97Å; F169-T171 HydrophobicContact CE2-CG2 4Å; F169-Y180 AromaticContact CD2-CD2 3.97Å; F169-Y180 HydrophobicContact CD2-CD2 3.97Å; F169-Y180 HydrophobicContact CD2-CG 4.22Å; F169-Y180 VanDerWaalsContact CE1-CB 3.48Å; F169-Y180 HydrophobicContact CE1-CG 4.26Å; F169-Y180 VanDerWaalsContact CE2-CB 3.49Å; F169-Y180 HydrophobicContact CE2-CD1 4.32Å; F169-Y180 AromaticContact CE2-CD2 3.45Å; F169-Y180 HydrophobicContact CE2-CD2 3.45Å; F169-Y180 VanDerWaalsContact CE2-CD2 3.45Å; F169-Y180 HydrophobicContact CE2-CE2 4.21Å; F169-Y180 AromaticContact CE2-CG 3.5Å; F169-Y180 HydrophobicContact CE2-CG 3.5Å; F169-Y180 VanDerWaalsContact CE2-CG 3.5Å; F169-Y180 HydrophobicContact CZ-CD1 4.08Å; F169-Y180 HydrophobicContact CZ-CD2 4.01Å; F169-Y180 AromaticContact CZ-CG 3.53Å; F169-Y180 HydrophobicContact CZ-CG 3.53Å; F169-Y180 PolarHBondContact N-O 3.09Å; F169-Y180 PolarHBondContact O-N 2.98Å; F169-L189 HydrophobicContact CE1-CD1 4.42Å |
| 170 | I | 94.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 131.7 | -179.1 | -54 | -54.6 | 0 | 0 | 0 | 109.1 | K154 W155 I168 Y177 F178 A179 L194 F207 L218 | K154-I170 PolarHBondContact N-O 3.41Å; W155-I170 HydrophobicContact CB-CB 4.32Å; W155-I170 HydrophobicContact CB-CG1 4.48Å; W155-I170 HydrophobicContact CE3-CG1 3.84Å; W155-I170 HydrophobicContact CZ3-CG1 4.47Å; W155-I170 PolarHBondContact N-O 2.97Å; W155-I170 PolarHBondContact O-N 2.86Å; I168-I170 HydrophobicContact CD1-CD1 4.37Å; I168-I170 HydrophobicContact CG1-CD1 4.38Å; I170-Y177 HydrophobicContact CG2-CD1 3.99Å; I170-F178 CarbonylContact C-O 3.56Å; I170-F178 VanDerWaalsContact CA-O 3.27Å; I170-F178 WeakPolarHBondContact CA-O 3.34Å; I170-A179 HydrophobicContact CD1-CB 3.4Å; I170-A179 VanDerWaalsContact CD1-CB 3.4Å; I170-L194 HydrophobicContact CD1-CD1 4.18Å; I170-L194 HydrophobicContact CG2-CD1 4.43Å; I170-F207 HydrophobicContact CG1-CD1 4.44Å; I170-F207 HydrophobicContact CG2-CE1 4.19Å; I170-F207 HydrophobicContact CG2-CE2 4.22Å; I170-F207 HydrophobicContact CG2-CZ 3.88Å; I170-L218 HydrophobicContact CD1-CD1 4.33Å; I170-L218 HydrophobicContact CD1-CD2 3.8Å; I170-L218 HydrophobicContact CG1-CD1 4.39Å; I170-L218 HydrophobicContact CG1-CD2 4.4Å |
| 171 | T | 93.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 154.9 | 172.3 | 70.1 | 0 | 0 | 0 | 0 | 111.3 | I147 E151 V152 I153 F169 Y177 F178 Y180 | I147-T171 HydrophobicContact CG2-CG2 4.13Å; E151-T171 PolarHBondContact OE2-OG1 3.38Å; V152-T171 CarbonylContact O-C 3.53Å; V152-T171 VanDerWaalsContact O-CA 3.22Å; V152-T171 WeakPolarHBondContact O-CA 3.32Å; I153-T171 HydrophobicContact CG1-CG2 4.07Å; F169-T171 HydrophobicContact CD2-CG2 3.97Å; F169-T171 HydrophobicContact CE2-CG2 4Å; T171-Y177 VanDerWaalsContact O-CA 3.29Å; T171-Y177 WeakPolarHBondContact O-CA 3.13Å; T171-F178 PolarHBondContact N-O 2.92Å; T171-F178 PolarHBondContact O-N 3.29Å; T171-Y180 HydrophobicContact CG2-CD2 3.97Å; T171-Y180 HydrophobicContact CG2-CE2 3.74Å; T171-Y180 WeakPolarHBondContact OG1-CE2 3.34Å |
| 172 | E | 91.4 | Very high | 89.3 | Confident | 48 Ų | 48 | 43.2 Ų | 43.2 | 22% | 0.224 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 135.3 | 172.4 | -169.7 | -164.3 | 165.1 | 0 | 0 | 109.9 | E151 V152 K154 N176 Y177 | E151-E172 WeakPolarHBondContact CA-O 3.47Å; V152-E172 PolarHBondContact N-O 3.44Å; V152-E172 PolarHBondContact O-N 3.5Å; K154-E172 HydrophobicContact CD-CB 4.48Å; K154-E172 WeakPolarHBondContact CE-OE2 3.16Å; K154-E172 HydrophobicContact CG-CB 3.88Å; K154-E172 IonicContact NZ-OE2 3.01Å; K154-E172 PolarHBondContact NZ-OE2 3.4Å; E172-N176 CarbonylContact C-O 3.56Å; E172-N176 WeakPolarHBondContact CA-O 3.46Å; E172-Y177 HydrophobicContact CB-CD1 4.28Å; E172-Y177 HydrophobicContact CB-CE1 4.14Å; E172-Y177 HydrophobicContact CG-CD1 4.39Å; E172-Y177 HydrophobicContact CG-CE1 4.04Å; E172-Y177 HydrophobicContact CG-CE2 4.47Å |
| 173 | K | 89.5 | Confident | 89.7 | Confident | 52 Ų | 52 | 38.7 Ų | 38.7 | 23% | 0.226 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 115.1 | 170.1 | -170.6 | -177 | 178.1 | 139.7 | 0 | 110.2 | S148 E150 E151 G175 N176 F178 | S148-K173 PolarHBondContact OG-NZ 3.24Å; E150-K173 HydrophobicContact CB-CG 4.28Å; E150-K173 WeakPolarHBondContact OE2-CE 3.5Å; E150-K173 IonicContact OE2-NZ 2.84Å; E150-K173 PolarHBondContact OE2-NZ 2.89Å; E151-K173 HydrophobicContact CG-CB 3.73Å; E151-K173 HydrophobicContact CG-CD 4.01Å; E151-K173 HydrophobicContact CG-CG 4.18Å; K173-G175 PolarHBondContact O-N 3.12Å; K173-N176 PolarHBondContact N-O 3.44Å; K173-N176 WeakPolarHBondContact O-CB 3.38Å; K173-N176 PolarHBondContact O-N 3.02Å; K173-F178 HydrophobicContact CB-CE2 3.89Å |
| 174 | H | 84.6 | Confident | 89.8 | Confident | 148 Ų | 148 | 29.9 Ų | 29.9 | 69% | 0.685 | 15% | 0.152 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 42.3 | 178.7 | -56.7 | 110.8 | 0 | 0 | 0 | 113.2 | E150 N176 | E150-H174 IonicContact OE2-CE1 2.65Å; E150-H174 PolarHBondContact OE2-CE1 3.48Å; E150-H174 VanDerWaalsContact OE2-CE1 3.29Å; H174-N176 VanDerWaalsContact C-N 3.28Å; H174-N176 PolarHBondContact O-N 2.99Å |
| 175 | G | 81 | Confident | 89.2 | Confident | 37 Ų | 37 | 30.1 Ų | 30.1 | 38% | 0.381 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | -7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 116 | K173 Y177 | K173-G175 PolarHBondContact O-N 3.12Å; G175-Y177 WeakPolarHBondContact O-CD2 3.43Å; G175-Y177 WeakPolarHBondContact O-CE2 3.42Å |
| 176 | N | 87.3 | Confident | 88.2 | Confident | 89 Ų | 89 | 31.3 Ų | 31.3 | 48% | 0.476 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 140.4 | 172.1 | -62 | -70 | 0 | 0 | 0 | 110.7 | E172 K173 H174 F178 | E172-N176 CarbonylContact C-O 3.56Å; E172-N176 WeakPolarHBondContact CA-O 3.46Å; K173-N176 PolarHBondContact N-O 3.44Å; K173-N176 WeakPolarHBondContact O-CB 3.38Å; K173-N176 PolarHBondContact O-N 3.02Å; H174-N176 VanDerWaalsContact C-N 3.28Å; H174-N176 PolarHBondContact O-N 2.99Å; N176-F178 HydrophobicContact CB-CE2 4.15Å; N176-F178 HydrophobicContact CB-CZ 4.11Å |
| 177 | Y | 90.8 | Very high | 87.4 | Confident | 10 Ų | 10 | 41.7 Ų | 41.7 | 4% | 0.039 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 137.8 | -179.8 | -65.4 | -98.6 | 0 | 0 | 0 | 111.5 | I170 T171 E172 G175 L194 L196 I204 F207 | I170-Y177 HydrophobicContact CG2-CD1 3.99Å; T171-Y177 VanDerWaalsContact O-CA 3.29Å; T171-Y177 WeakPolarHBondContact O-CA 3.13Å; E172-Y177 HydrophobicContact CB-CD1 4.28Å; E172-Y177 HydrophobicContact CB-CE1 4.14Å; E172-Y177 HydrophobicContact CG-CD1 4.39Å; E172-Y177 HydrophobicContact CG-CE1 4.04Å; E172-Y177 HydrophobicContact CG-CE2 4.47Å; G175-Y177 WeakPolarHBondContact O-CD2 3.43Å; G175-Y177 WeakPolarHBondContact O-CE2 3.42Å; Y177-L194 WeakPolarHBondContact O-CB 3.4Å; Y177-L194 PolarHBondContact O-N 3.14Å; Y177-L196 HydrophobicContact CD2-CD1 3.82Å; Y177-L196 HydrophobicContact CE2-CD1 4.36Å; Y177-I204 HydrophobicContact CD1-CD1 4.37Å; Y177-I204 HydrophobicContact CD2-CD1 3.86Å; Y177-I204 HydrophobicContact CE1-CB 4.29Å; Y177-I204 HydrophobicContact CE1-CD1 4.44Å; Y177-I204 HydrophobicContact CE2-CB 4.31Å; Y177-I204 HydrophobicContact CE2-CD1 3.95Å; Y177-I204 HydrophobicContact CE2-CG1 4.12Å; Y177-I204 HydrophobicContact CG-CD1 4.06Å; Y177-F207 HydrophobicContact CD1-CE2 4.06Å; Y177-F207 AromaticContact CD1-CZ 3.54Å; Y177-F207 HydrophobicContact CD1-CZ 3.54Å; Y177-F207 AromaticContact CE1-CE2 3.88Å; Y177-F207 HydrophobicContact CE1-CE2 3.88Å; Y177-F207 AromaticContact CE1-CZ 3.71Å; Y177-F207 HydrophobicContact CE1-CZ 3.71Å; Y177-F207 HydrophobicContact CG-CZ 4.28Å |
| 178 | F | 92 | Very high | 86.8 | Confident | 26 Ų | 26 | 44.9 Ų | 44.9 | 11% | 0.114 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 137.9 | 176.4 | -53.2 | -84.5 | 0 | 0 | 0 | 110.5 | I170 T171 K173 N176 Y180 K191 Y192 T193 | I170-F178 CarbonylContact C-O 3.56Å; I170-F178 VanDerWaalsContact CA-O 3.27Å; I170-F178 WeakPolarHBondContact CA-O 3.34Å; T171-F178 PolarHBondContact N-O 2.92Å; T171-F178 PolarHBondContact O-N 3.29Å; K173-F178 HydrophobicContact CB-CE2 3.89Å; N176-F178 HydrophobicContact CB-CE2 4.15Å; N176-F178 HydrophobicContact CB-CZ 4.11Å; F178-Y180 HydrophobicContact CB-CD2 4.49Å; F178-Y180 HydrophobicContact CB-CE2 3.95Å; F178-K191 VanDerWaalsContact CD1-CE 3.4Å; F178-Y192 CarbonylContact C-O 3.52Å; F178-Y192 VanDerWaalsContact CA-O 3.25Å; F178-Y192 WeakPolarHBondContact CA-O 3.37Å; F178-T193 HydrophobicContact CD1-CG2 4.26Å; F178-T193 HydrophobicContact CE1-CG2 3.93Å |
| 179 | A | 93.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 127.2 | 172 | 0 | 0 | 0 | 0 | 0 | 110.2 | I170 Y192 L194 I232 | I170-A179 HydrophobicContact CD1-CB 3.4Å; I170-A179 VanDerWaalsContact CD1-CB 3.4Å; A179-Y192 PolarHBondContact N-O 3.33Å; A179-Y192 PolarHBondContact O-N 3.07Å; A179-L194 HydrophobicContact CB-CD1 4.32Å; A179-L194 HydrophobicContact CB-CD2 4.15Å; A179-L194 HydrophobicContact CB-CG 4.34Å; A179-I232 HydrophobicContact CB-CD1 3.8Å |
| 180 | Y | 92.1 | Very high | 86.2 | Confident | 9 Ų | 9 | 48 Ų | 48 | 4% | 0.035 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 123.3 | 173.4 | -70.3 | -95 | 0 | 0 | 0 | 108.9 | I147 E151 I168 F169 T171 F178 L189 T190 K191 | I147-Y180 HydrophobicContact CG2-CE1 4.42Å; I147-Y180 HydrophobicContact CG2-CE2 4.08Å; E151-Y180 PolarHBondContact OE2-OH 2.93Å; I168-Y180 VanDerWaalsContact CA-O 3.28Å; I168-Y180 WeakPolarHBondContact CA-O 3.37Å; F169-Y180 AromaticContact CD2-CD2 3.97Å; F169-Y180 HydrophobicContact CD2-CD2 3.97Å; F169-Y180 HydrophobicContact CD2-CG 4.22Å; F169-Y180 VanDerWaalsContact CE1-CB 3.48Å; F169-Y180 HydrophobicContact CE1-CG 4.26Å; F169-Y180 VanDerWaalsContact CE2-CB 3.49Å; F169-Y180 HydrophobicContact CE2-CD1 4.32Å; F169-Y180 AromaticContact CE2-CD2 3.45Å; F169-Y180 HydrophobicContact CE2-CD2 3.45Å; F169-Y180 VanDerWaalsContact CE2-CD2 3.45Å; F169-Y180 HydrophobicContact CE2-CE2 4.21Å; F169-Y180 AromaticContact CE2-CG 3.5Å; F169-Y180 HydrophobicContact CE2-CG 3.5Å; F169-Y180 VanDerWaalsContact CE2-CG 3.5Å; F169-Y180 HydrophobicContact CZ-CD1 4.08Å; F169-Y180 HydrophobicContact CZ-CD2 4.01Å; F169-Y180 AromaticContact CZ-CG 3.53Å; F169-Y180 HydrophobicContact CZ-CG 3.53Å; F169-Y180 PolarHBondContact N-O 3.09Å; F169-Y180 PolarHBondContact O-N 2.98Å; T171-Y180 HydrophobicContact CG2-CD2 3.97Å; T171-Y180 HydrophobicContact CG2-CE2 3.74Å; T171-Y180 WeakPolarHBondContact OG1-CE2 3.34Å; F178-Y180 HydrophobicContact CB-CD2 4.49Å; F178-Y180 HydrophobicContact CB-CE2 3.95Å; Y180-L189 HydrophobicContact CD1-CD1 4.36Å; Y180-L189 HydrophobicContact CD1-CD2 4.22Å; Y180-L189 HydrophobicContact CD1-CG 4.36Å; Y180-T190 WeakPolarHBondContact CA-O 3.37Å; Y180-K191 HydrophobicContact CD1-CB 4.18Å; Y180-K191 HydrophobicContact CD1-CG 4.39Å; Y180-K191 HydrophobicContact CE1-CB 3.95Å; Y180-K191 HydrophobicContact CE1-CD 3.83Å; Y180-K191 HydrophobicContact CE1-CG 3.87Å; Y180-K191 WeakPolarHBondContact OH-CD 3.47Å; Y180-K191 VanDerWaalsContact OH-CE 3.28Å; Y180-K191 WeakPolarHBondContact OH-CE 3.39Å; Y180-K191 PolarHBondContact OH-NZ 3.45Å |
| 181 | V | 91.6 | Very high | 86 | Confident | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.018 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 120.9 | 177.8 | -177.7 | 0 | 0 | 0 | 0 | 108.9 | V166 L167 I168 L189 T190 Y192 I216 I232 | V166-V181 HydrophobicContact CG1-CG1 3.83Å; L167-V181 WeakPolarHBondContact O-CA 3.34Å; I168-V181 HydrophobicContact CD1-CG2 4.2Å; I168-V181 HydrophobicContact CG1-CG2 4.21Å; V181-L189 WeakPolarHBondContact O-CA 3.5Å; V181-T190 PolarHBondContact N-O 3.25Å; V181-T190 PolarHBondContact O-N 3.15Å; V181-Y192 HydrophobicContact CB-CE2 4.29Å; V181-Y192 HydrophobicContact CG2-CD2 4.24Å; V181-Y192 HydrophobicContact CG2-CE2 3.98Å; V181-I216 HydrophobicContact CG1-CD1 3.9Å; V181-I216 HydrophobicContact CG2-CD1 4.02Å; V181-I232 HydrophobicContact CG2-CG2 3.79Å |
| 182 | Q | 89.6 | Confident | 85.9 | Confident | 30 Ų | 30 | 50.2 Ų | 50.2 | 14% | 0.14 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 123 | 178.1 | -170.3 | 169.5 | 3.1 | 0 | 0 | 110.8 | V166 L167 F184 L189 | V166-Q182 WeakPolarHBondContact CA-O 3.41Å; L167-Q182 HydrophobicContact CB-CB 4.41Å; L167-Q182 PolarHBondContact N-O 3.43Å; L167-Q182 PolarHBondContact O-N 3.49Å; Q182-F184 HydrophobicContact CB-CZ 4.47Å; Q182-F184 HydrophobicContact CG-CE1 4.27Å; Q182-F184 HydrophobicContact CG-CE2 4.38Å; Q182-F184 HydrophobicContact CG-CZ 4.04Å; Q182-L189 HydrophobicContact CB-CD1 3.81Å; Q182-L189 HydrophobicContact CG-CD1 4.35Å |
| 183 | M | 86.6 | Confident | 85.8 | Confident | 21 Ų | 21 | 49.3 Ų | 49.3 | 10% | 0.103 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 121.9 | 170.2 | -60.8 | -160.3 | -49.8 | 0 | 0 | 110 | V166 N185 S186 R187 I188 I234 R235 | V166-M183 HydrophobicContact CG2-CG 4.23Å; M183-N185 WeakPolarHBondContact CB-OD1 3.43Å; M183-S186 VanDerWaalsContact CE-OG 3.27Å; M183-S186 WeakPolarHBondContact CE-OG 3.32Å; M183-R187 VanDerWaalsContact O-CA 3.31Å; M183-R187 WeakPolarHBondContact O-CA 3.28Å; M183-R187 PolarHBondContact O-N 3.43Å; M183-I188 PolarHBondContact N-O 3Å; M183-I188 VanDerWaalsContact N-O 3.1Å; M183-I188 PolarHBondContact O-N 2.96Å; M183-I234 HydrophobicContact SD-CG2 3.71Å; M183-I234 VanDerWaalsContact SD-O 3.38Å; M183-R235 HydrophobicContact CE-CG 4.38Å; M183-R235 HydrophobicContact SD-CG 4.49Å |
| 184 | F | 81.3 | Confident | 85.8 | Confident | 50 Ų | 50 | 47.3 Ų | 47.3 | 22% | 0.219 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -21.5 | -173.6 | -64.2 | -88.3 | 0 | 0 | 0 | 113.9 | L121 V129 F158 P165 L167 Q182 | L121-F184 HydrophobicContact CD1-CD2 4.17Å; L121-F184 HydrophobicContact CD1-CE1 3.87Å; L121-F184 HydrophobicContact CD1-CE2 3.43Å; L121-F184 VanDerWaalsContact CD1-CE2 3.43Å; L121-F184 HydrophobicContact CD1-CZ 3.27Å; L121-F184 HydrophobicContact CD2-CD1 4.48Å; L121-F184 HydrophobicContact CD2-CE1 4.05Å; L121-F184 HydrophobicContact CD2-CZ 4.31Å; L121-F184 HydrophobicContact CG-CZ 4.39Å; V129-F184 HydrophobicContact CG1-CE1 3.88Å; V129-F184 HydrophobicContact CG1-CZ 3.79Å; F158-F184 HydrophobicContact CE2-CE2 4.15Å; P165-F184 HydrophobicContact CB-CD2 4.02Å; P165-F184 HydrophobicContact CG-CB 4.16Å; P165-F184 HydrophobicContact CG-CD2 4.15Å; P165-F184 HydrophobicContact CG-CG 4.46Å; P165-F184 WeakPolarHBondContact O-CD2 3.5Å; L167-F184 HydrophobicContact CB-CE2 3.8Å; L167-F184 HydrophobicContact CB-CZ 4.11Å; L167-F184 HydrophobicContact CD2-CZ 4.27Å; Q182-F184 HydrophobicContact CB-CZ 4.47Å; Q182-F184 HydrophobicContact CG-CE1 4.27Å; Q182-F184 HydrophobicContact CG-CE2 4.38Å; Q182-F184 HydrophobicContact CG-CZ 4.04Å |
| 185 | N | 73.7 | Confident | 85.6 | Confident | 82 Ų | 82 | 44.1 Ų | 44.1 | 44% | 0.439 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -40.6 | 176.4 | 61.2 | -9.5 | 0 | 0 | 0 | 112.5 | H164 M183 | H164-N185 PolarHBondContact CD2-ND2 2.93Å; H164-N185 VanDerWaalsContact CG-ND2 3.29Å; H164-N185 PolarHBondContact ND1-ND2 3.21Å; M183-N185 WeakPolarHBondContact CB-OD1 3.43Å |
| 186 | S | 67.4 | Low | 85.2 | Confident | 51 Ų | 51 | 44.5 Ų | 44.5 | 36% | 0.357 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -11.7 | 178.1 | 61.3 | 0 | 0 | 0 | 0 | 113.1 | M183 I188 | M183-S186 VanDerWaalsContact CE-OG 3.27Å; M183-S186 WeakPolarHBondContact CE-OG 3.32Å; S186-I188 PolarHBondContact O-N 3.45Å |
| 187 | R | 74.1 | Confident | 84.1 | Confident | 220 Ų | 220 | 42 Ų | 42 | 83% | 0.83 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 26.9 | -172.4 | -57 | -178.3 | 179.9 | -175 | -1.3 | 113.3 | M183 | M183-R187 VanDerWaalsContact O-CA 3.31Å; M183-R187 WeakPolarHBondContact O-CA 3.28Å; M183-R187 PolarHBondContact O-N 3.43Å |
| 188 | I | 80.1 | Confident | 82.4 | Confident | 66 Ų | 66 | 51 Ų | 51 | 34% | 0.338 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 128.7 | 178 | -61.6 | 172.1 | 0 | 0 | 0 | 108.1 | M183 S186 P239 | M183-I188 PolarHBondContact N-O 3Å; M183-I188 VanDerWaalsContact N-O 3.1Å; M183-I188 PolarHBondContact O-N 2.96Å; S186-I188 PolarHBondContact O-N 3.45Å; I188-P239 HydrophobicContact CG2-CB 3.87Å |
| 189 | L | 86.7 | Confident | 80.8 | Confident | 60 Ų | 60 | 54.6 Ų | 54.6 | 31% | 0.314 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 128.2 | 166.1 | -179.9 | 71.8 | 0 | 0 | 0 | 108 | V146 F169 Y180 V181 Q182 | V146-L189 HydrophobicContact CG1-CD2 3.22Å; F169-L189 HydrophobicContact CE1-CD1 4.42Å; Y180-L189 HydrophobicContact CD1-CD1 4.36Å; Y180-L189 HydrophobicContact CD1-CD2 4.22Å; Y180-L189 HydrophobicContact CD1-CG 4.36Å; V181-L189 WeakPolarHBondContact O-CA 3.5Å; Q182-L189 HydrophobicContact CB-CD1 3.81Å; Q182-L189 HydrophobicContact CG-CD1 4.35Å |
| 190 | T | 89 | Confident | 78.9 | Confident | 5 Ų | 5 | 63.7 Ų | 63.7 | 3% | 0.031 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 133.4 | 179.1 | -51.6 | 0 | 0 | 0 | 0 | 110.4 | Y180 V181 Y192 P236 | Y180-T190 WeakPolarHBondContact CA-O 3.37Å; V181-T190 PolarHBondContact N-O 3.25Å; V181-T190 PolarHBondContact O-N 3.15Å; T190-Y192 HydrophobicContact CG2-CD2 4.28Å; T190-Y192 HydrophobicContact CG2-CE1 4.24Å; T190-Y192 HydrophobicContact CG2-CE2 3.55Å; T190-P236 HydrophobicContact CG2-CB 3.99Å; T190-P236 HydrophobicContact CG2-CG 4.03Å |
| 191 | K | 91 | Very high | 77.4 | Confident | 47 Ų | 47 | 70.7 Ų | 70.7 | 20% | 0.204 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 130.2 | 177.5 | -178.3 | 175.8 | -175.8 | 157.5 | 0 | 110.3 | E151 F178 Y180 | E151-K191 IonicContact OE1-NZ 2.87Å; E151-K191 PolarHBondContact OE1-NZ 3.22Å; E151-K191 IonicContact OE2-NZ 3.29Å; F178-K191 VanDerWaalsContact CD1-CE 3.4Å; Y180-K191 HydrophobicContact CD1-CB 4.18Å; Y180-K191 HydrophobicContact CD1-CG 4.39Å; Y180-K191 HydrophobicContact CE1-CB 3.95Å; Y180-K191 HydrophobicContact CE1-CD 3.83Å; Y180-K191 HydrophobicContact CE1-CG 3.87Å; Y180-K191 WeakPolarHBondContact OH-CD 3.47Å; Y180-K191 VanDerWaalsContact OH-CE 3.28Å; Y180-K191 WeakPolarHBondContact OH-CE 3.39Å; Y180-K191 PolarHBondContact OH-NZ 3.45Å |
| 192 | Y | 90.6 | Very high | 76.3 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 137.8 | 174.3 | -59.4 | -89.5 | 0 | 0 | 0 | 110 | F178 A179 V181 T190 I232 P233 Q243 L245 | F178-Y192 CarbonylContact C-O 3.52Å; F178-Y192 VanDerWaalsContact CA-O 3.25Å; F178-Y192 WeakPolarHBondContact CA-O 3.37Å; A179-Y192 PolarHBondContact N-O 3.33Å; A179-Y192 PolarHBondContact O-N 3.07Å; V181-Y192 HydrophobicContact CB-CE2 4.29Å; V181-Y192 HydrophobicContact CG2-CD2 4.24Å; V181-Y192 HydrophobicContact CG2-CE2 3.98Å; T190-Y192 HydrophobicContact CG2-CD2 4.28Å; T190-Y192 HydrophobicContact CG2-CE1 4.24Å; T190-Y192 HydrophobicContact CG2-CE2 3.55Å; Y192-I232 HydrophobicContact CD1-CG2 4.5Å; Y192-I232 HydrophobicContact CD2-CG2 3.72Å; Y192-I232 HydrophobicContact CE1-CG2 4.43Å; Y192-I232 HydrophobicContact CE2-CG2 3.64Å; Y192-I232 HydrophobicContact CG-CG2 4.17Å; Y192-P233 HydrophobicContact CE1-CG 3.89Å; Y192-P233 PolarHBondContact OH-O 3.36Å; Y192-P233 VanDerWaalsContact OH-O 3.11Å; Y192-Q243 CarbonylContact C-O 3.59Å; Y192-Q243 WeakPolarHBondContact CA-O 3.48Å; Y192-Q243 HydrophobicContact CD1-CB 3.76Å; Y192-Q243 HydrophobicContact CE1-CB 4Å; Y192-L245 HydrophobicContact CD1-CD1 3.58Å; Y192-L245 HydrophobicContact CD1-CD2 4.28Å; Y192-L245 HydrophobicContact CD1-CG 3.89Å; Y192-L245 HydrophobicContact CE1-CD1 4.38Å; Y192-L245 HydrophobicContact CG-CD1 3.77Å; Y192-L245 HydrophobicContact CG-CG 4.4Å |
| 193 | T | 90.8 | Very high | 75.9 | Confident | 29 Ų | 29 | 73.6 Ų | 73.6 | 18% | 0.178 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 122.1 | 172.3 | -56.8 | 0 | 0 | 0 | 0 | 109 | F178 Q243 L245 | F178-T193 HydrophobicContact CD1-CG2 4.26Å; F178-T193 HydrophobicContact CE1-CG2 3.93Å; T193-Q243 PolarHBondContact N-O 2.99Å; T193-L245 PolarHBondContact O-N 3.19Å |
| 194 | L | 88.4 | Confident | 75.8 | Confident | 11 Ų | 11 | 73.4 Ų | 73.4 | 6% | 0.058 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 111.6 | 179.1 | -55.8 | 178.1 | 0 | 0 | 0 | 109.2 | I170 Y177 A179 L196 L218 T230 L245 | I170-L194 HydrophobicContact CD1-CD1 4.18Å; I170-L194 HydrophobicContact CG2-CD1 4.43Å; Y177-L194 WeakPolarHBondContact O-CB 3.4Å; Y177-L194 PolarHBondContact O-N 3.14Å; A179-L194 HydrophobicContact CB-CD1 4.32Å; A179-L194 HydrophobicContact CB-CD2 4.15Å; A179-L194 HydrophobicContact CB-CG 4.34Å; L194-L196 PolarHBondContact O-N 2.85Å; L194-L218 HydrophobicContact CD1-CD2 3.74Å; L194-L218 HydrophobicContact CD2-CD2 4.36Å; L194-T230 HydrophobicContact CD2-CG2 3.91Å; L194-L245 HydrophobicContact CD2-CB 4.44Å; L194-L245 HydrophobicContact CD2-CD1 4.47Å |
| 195 | L | 81.4 | Confident | 75.9 | Confident | 81 Ų | 81 | 74.9 Ų | 74.9 | 42% | 0.424 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 118.4 | 177.2 | -67.1 | 172.8 | 0 | 0 | 0 | 110.2 | T244 L245 V246 | L195-T244 HydrophobicContact CD1-CG2 4.46Å; L195-L245 PolarHBondContact N-O 2.9Å; L195-V246 HydrophobicContact CD1-CG2 4.33Å |
| 196 | L | 71.7 | Confident | 76.6 | Confident | 45 Ų | 45 | 72 Ų | 72 | 24% | 0.236 | 37% | 0.368 | C | S | . | . | trans | -70.4 | 128.8 | 162.6 | -70.5 | 92.5 | 0 | 0 | 0 | 107.5 | Y177 L194 S202 I204 | Y177-L196 HydrophobicContact CD2-CD1 3.82Å; Y177-L196 HydrophobicContact CE2-CD1 4.36Å; L194-L196 PolarHBondContact O-N 2.85Å; L196-S202 WeakPolarHBondContact CD2-O 3.43Å; L196-I204 HydrophobicContact CD2-CD1 4.47Å; L196-I204 HydrophobicContact CD2-CG1 4.27Å | ||
| 197 | G | 64.1 | Low | 77.7 | Confident | 37 Ų | 37 | 70.1 Ų | 70.1 | 38% | 0.381 | 35% | 0.354 | S | S | . | . | trans | -61.9 | -169 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | D199 R247 | G197-D199 PolarHBondContact O-N 2.92Å; G197-R247 VanDerWaalsContact N-NE 3.15Å | ||
| 198 | Q | 55.1 | Low | 78.6 | Confident | 197 Ų | 197 | 59.9 Ų | 59.9 | 92% | 0.921 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -52.1 | -12.6 | -166.9 | -73.7 | -178.4 | -23.8 | 0 | 0 | 118.1 | E200 | Q198-E200 PolarHBondContact O-N 3.49Š|
| 199 | D | 57.8 | Low | 79.2 | Confident | 102 Ų | 102 | 56.8 Ų | 56.8 | 55% | 0.545 | 30% | 0.3 | S | S | . | . | trans | -91.8 | 91.5 | 174.8 | -76.3 | -40.9 | 0 | 0 | 0 | 111.4 | G197 N201 S202 | G197-D199 PolarHBondContact O-N 2.92Å; D199-N201 PolarHBondContact O-N 3.41Å; D199-S202 PolarHBondContact O-N 3.23Å; D199-S202 VanDerWaalsContact O-N 3.16Å; D199-S202 PolarHBondContact O-OG 2.88Å | ||
| 200 | E | 53.8 | Low | 79.3 | Confident | 191 Ų | 191 | 55.4 Ų | 55.4 | 89% | 0.893 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -10.4 | -179.9 | -65.4 | -169 | 159.9 | 0 | 0 | 114.3 | Q198 | Q198-E200 PolarHBondContact O-N 3.49Š|
| 201 | N | 59.9 | Low | 79.2 | Confident | 156 Ų | 156 | 57.5 Ų | 57.5 | 83% | 0.834 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108 | 5.4 | -178.8 | -67.2 | -23 | 0 | 0 | 0 | 114.3 | D199 | D199-N201 PolarHBondContact O-N 3.41Š|
| 202 | S | 69.3 | Low | 78.7 | Confident | 11 Ų | 11 | 59.1 Ų | 59.1 | 8% | 0.077 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -79.9 | 123.1 | 179.2 | 58 | 0 | 0 | 0 | 0 | 111.4 | L196 D199 R247 | L196-S202 WeakPolarHBondContact CD2-O 3.43Å; D199-S202 PolarHBondContact O-N 3.23Å; D199-S202 VanDerWaalsContact O-N 3.16Å; D199-S202 PolarHBondContact O-OG 2.88Å; S202-R247 PolarHBondContact OG-NH2 2.95Å |
| 203 | V | 80.3 | Confident | 78.1 | Confident | 83 Ų | 83 | 67.8 Ų | 67.8 | 50% | 0.503 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -100.1 | 139.4 | 174.8 | -178.7 | 0 | 0 | 0 | 0 | 108.8 | S222 S223 | V203-S222 CarbonylContact O-C 3.55Å; V203-S222 WeakPolarHBondContact O-CA 3.31Å; V203-S223 PolarHBondContact N-OG 2.99Å; V203-S223 VanDerWaalsContact N-OG 3.11Å; V203-S223 PolarHBondContact O-N 3.48Å |
| 204 | I | 84.7 | Confident | 77.8 | Confident | 17 Ų | 17 | 73.6 Ų | 73.6 | 9% | 0.087 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 123.8 | 175.7 | -57.7 | 173 | 0 | 0 | 0 | 108.9 | Y177 L196 F207 | Y177-I204 HydrophobicContact CD1-CD1 4.37Å; Y177-I204 HydrophobicContact CD2-CD1 3.86Å; Y177-I204 HydrophobicContact CE1-CB 4.29Å; Y177-I204 HydrophobicContact CE1-CD1 4.44Å; Y177-I204 HydrophobicContact CE2-CB 4.31Å; Y177-I204 HydrophobicContact CE2-CD1 3.95Å; Y177-I204 HydrophobicContact CE2-CG1 4.12Å; Y177-I204 HydrophobicContact CG-CD1 4.06Å; L196-I204 HydrophobicContact CD2-CD1 4.47Å; L196-I204 HydrophobicContact CD2-CG1 4.27Å; I204-F207 HydrophobicContact CB-CE1 4.48Å; I204-F207 HydrophobicContact CB-CE2 4.18Å; I204-F207 HydrophobicContact CB-CZ 3.84Å; I204-F207 HydrophobicContact CD1-CE1 3.81Å; I204-F207 HydrophobicContact CD1-CZ 3.62Å; I204-F207 HydrophobicContact CG1-CZ 4.32Å; I204-F207 HydrophobicContact CG2-CD1 4.2Å; I204-F207 HydrophobicContact CG2-CD2 4.07Å; I204-F207 HydrophobicContact CG2-CE1 3.7Å; I204-F207 HydrophobicContact CG2-CE2 3.54Å; I204-F207 HydrophobicContact CG2-CG 4.37Å; I204-F207 HydrophobicContact CG2-CZ 3.34Å |
| 205 | E | 84.3 | Confident | 77.8 | Confident | 82 Ų | 82 | 77.2 Ų | 77.2 | 38% | 0.383 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | -38.5 | -177 | -61.6 | -172 | 151.6 | 0 | 0 | 112.1 | L221 | E205-L221 PolarHBondContact N-O 3.33Å |
| 206 | S | 87.9 | Confident | 78.3 | Confident | 20 Ų | 20 | 73.3 Ų | 73.3 | 14% | 0.14 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 148.8 | -177.9 | -176.9 | 0 | 0 | 0 | 0 | 111.9 | S220 L221 L265 | S206-S220 WeakPolarHBondContact O-CA 3.3Å; S206-L221 PolarHBondContact N-O 3.1Å; S206-L221 PolarHBondContact O-N 3.18Å; S206-L265 PolarHBondContact OG-N 3.38Å; S206-L265 VanDerWaalsContact OG-N 3.09Å |
| 207 | F | 91.3 | Very high | 79.3 | Confident | 13 Ų | 13 | 71.6 Ų | 71.6 | 6% | 0.057 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 148.2 | 174.8 | -66.1 | -86.7 | 0 | 0 | 0 | 111.1 | W155 I170 Y177 I204 L218 M219 | W155-F207 HydrophobicContact CB-CB 4.07Å; W155-F207 HydrophobicContact CB-CD2 4.03Å; W155-F207 HydrophobicContact CB-CG 4.32Å; W155-F207 HydrophobicContact CD2-CB 3.8Å; W155-F207 HydrophobicContact CE3-CB 4.48Å; W155-F207 HydrophobicContact CG-CB 3.6Å; W155-F207 HydrophobicContact CG-CD2 4.47Å; W155-F207 HydrophobicContact CG-CG 4.35Å; W155-F207 PolarHBondContact NE1-O 3.41Å; I170-F207 HydrophobicContact CG1-CD1 4.44Å; I170-F207 HydrophobicContact CG2-CE1 4.19Å; I170-F207 HydrophobicContact CG2-CE2 4.22Å; I170-F207 HydrophobicContact CG2-CZ 3.88Å; Y177-F207 HydrophobicContact CD1-CE2 4.06Å; Y177-F207 AromaticContact CD1-CZ 3.54Å; Y177-F207 HydrophobicContact CD1-CZ 3.54Å; Y177-F207 AromaticContact CE1-CE2 3.88Å; Y177-F207 HydrophobicContact CE1-CE2 3.88Å; Y177-F207 AromaticContact CE1-CZ 3.71Å; Y177-F207 HydrophobicContact CE1-CZ 3.71Å; Y177-F207 HydrophobicContact CG-CZ 4.28Å; I204-F207 HydrophobicContact CB-CE1 4.48Å; I204-F207 HydrophobicContact CB-CE2 4.18Å; I204-F207 HydrophobicContact CB-CZ 3.84Å; I204-F207 HydrophobicContact CD1-CE1 3.81Å; I204-F207 HydrophobicContact CD1-CZ 3.62Å; I204-F207 HydrophobicContact CG1-CZ 4.32Å; I204-F207 HydrophobicContact CG2-CD1 4.2Å; I204-F207 HydrophobicContact CG2-CD2 4.07Å; I204-F207 HydrophobicContact CG2-CE1 3.7Å; I204-F207 HydrophobicContact CG2-CE2 3.54Å; I204-F207 HydrophobicContact CG2-CG 4.37Å; I204-F207 HydrophobicContact CG2-CZ 3.34Å; F207-L218 HydrophobicContact CD1-CD1 4.13Å; F207-L218 HydrophobicContact CD1-CD2 4.27Å; F207-L218 HydrophobicContact CD1-CG 4.32Å; F207-L218 HydrophobicContact CE1-CD2 4.43Å; F207-M219 CarbonylContact C-O 3.56Å; F207-M219 WeakPolarHBondContact CA-O 3.5Å |
| 208 | T | 92.5 | Very high | 80.7 | Confident | 4 Ų | 4 | 69.9 Ų | 69.9 | 3% | 0.025 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 160.9 | 161.7 | -159.4 | 0 | 0 | 0 | 0 | 109.2 | M219 L265 A267 | T208-M219 HydrophobicContact CG2-CB 3.84Å; T208-M219 HydrophobicContact CG2-SD 4.33Å; T208-M219 PolarHBondContact N-O 3.2Å; T208-M219 PolarHBondContact O-N 3.45Å; T208-L265 WeakPolarHBondContact CB-O 3.27Å; T208-L265 HydrophobicContact CG2-CD2 3.9Å; T208-L265 HydrophobicContact CG2-CG 3.71Å; T208-A267 HydrophobicContact CG2-CB 4Å; T208-A267 PolarHBondContact OG1-N 3.07Å; T208-A267 VanDerWaalsContact OG1-N 3.17Å |
| 209 | A | 92.2 | Very high | 82.5 | Confident | 2 Ų | 2 | 60.7 Ų | 60.7 | 2% | 0.017 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 147.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | W155 K157 I216 S217 L218 | W155-A209 HydrophobicContact CH2-CB 3.48Å; W155-A209 VanDerWaalsContact CH2-CB 3.48Å; W155-A209 HydrophobicContact CZ2-CB 4.22Å; W155-A209 HydrophobicContact CZ3-CB 4.33Å; K157-A209 PolarHBondContact NZ-O 2.87Å; A209-I216 HydrophobicContact CB-CG2 3.99Å; A209-S217 VanDerWaalsContact CA-O 3.22Å; A209-S217 WeakPolarHBondContact CA-O 3.29Å; A209-S217 WeakPolarHBondContact CB-O 3.33Å; A209-L218 HydrophobicContact CB-CD1 4.24Å |
| 210 | S | 89.4 | Confident | 84 | Confident | 30 Ų | 30 | 56 Ų | 56 | 21% | 0.21 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 157.4 | 163.5 | 66.9 | 0 | 0 | 0 | 0 | 108.5 | S217 | S210-S217 PolarHBondContact N-O 3.48Å; S210-S217 PolarHBondContact O-N 3.42Å |
| 211 | V | 87.3 | Confident | 85.7 | Confident | 49 Ų | 49 | 47 Ų | 47 | 30% | 0.297 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 127.2 | -178.9 | 67.9 | 0 | 0 | 0 | 0 | 110 | F159 V161 I216 I234 | F159-V211 HydrophobicContact CB-CG1 4.29Å; F159-V211 HydrophobicContact CD2-CB 4.04Å; F159-V211 HydrophobicContact CD2-CG1 3.95Å; F159-V211 HydrophobicContact CD2-CG2 3.97Å; F159-V211 HydrophobicContact CE2-CB 4.11Å; F159-V211 HydrophobicContact CE2-CG2 3.75Å; F159-V211 HydrophobicContact CG-CB 4.34Å; F159-V211 HydrophobicContact CG-CG1 4.08Å; F159-V211 HydrophobicContact CZ-CB 4.49Å; F159-V211 HydrophobicContact CZ-CG2 4.37Å; V161-V211 HydrophobicContact CG1-CG2 4.48Å; V161-V211 HydrophobicContact CG2-CG1 4.37Å; V161-V211 HydrophobicContact CG2-CG2 3.56Å; V211-I216 HydrophobicContact CG2-CG1 4.1Å; V211-I234 HydrophobicContact CG2-CD1 3.83Å |
| 212 | D | 80.8 | Confident | 87 | Confident | 81 Ų | 81 | 39.5 Ų | 39.5 | 43% | 0.433 | 19% | 0.194 | S | C | . | . | trans | -100.4 | 172.5 | 165.6 | 179.4 | 41.4 | 0 | 0 | 0 | 109.6 | K214 F215 I234 | D212-K214 PolarHBondContact O-N 3.16Å; D212-K214 VanDerWaalsContact O-N 3.09Å; D212-F215 PolarHBondContact N-O 2.76Å; D212-I234 WeakPolarHBondContact O-CD1 3.27Å | ||
| 213 | R | 77.3 | Confident | 87.7 | Confident | 183 Ų | 183 | 40.9 Ų | 40.9 | 69% | 0.691 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -53.2 | -30.5 | 178.9 | -65.8 | -177.4 | 178.1 | -152.3 | 3 | 113.6 | F162 | F162-R213 HydrophobicContact CE1-CG 4.44Å; F162-R213 HydrophobicContact CE2-CB 3.78Å; F162-R213 HydrophobicContact CE2-CG 4.06Å; F162-R213 WeakPolarHBondContact CE2-O 3.28Å; F162-R213 HydrophobicContact CZ-CB 3.69Å; F162-R213 HydrophobicContact CZ-CG 3.56Å |
| 214 | K | 83.7 | Confident | 87.7 | Confident | 151 Ų | 151 | 39.7 Ų | 39.7 | 66% | 0.657 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -113.6 | -35.1 | -173.9 | -67.7 | -178.3 | -179.5 | 178.7 | 0 | 114 | D212 I234 | D212-K214 PolarHBondContact O-N 3.16Å; D212-K214 VanDerWaalsContact O-N 3.09Å; K214-I234 PolarHBondContact O-N 3.44Å |
| 215 | F | 89.3 | Confident | 87.5 | Confident | 86 Ų | 86 | 39 Ų | 39 | 38% | 0.377 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 146 | -171.2 | -57 | -83.2 | 0 | 0 | 0 | 110.4 | D212 L231 I232 P233 | D212-F215 PolarHBondContact N-O 2.76Å; F215-L231 HydrophobicContact CB-CB 4.47Å; F215-L231 HydrophobicContact CD1-CB 4.43Å; F215-I232 CarbonylContact C-O 3.57Å; F215-I232 WeakPolarHBondContact CA-O 3.4Å; F215-P233 HydrophobicContact CD1-CB 4.13Å; F215-P233 HydrophobicContact CE1-CB 4.13Å |
| 216 | I | 91.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 116.2 | 162.4 | -56.8 | 156.3 | 0 | 0 | 0 | 105.3 | F159 V166 I168 V181 A209 V211 L218 I232 I234 | F159-I216 HydrophobicContact CE1-CG2 4.28Å; F159-I216 HydrophobicContact CE2-CD1 4.15Å; F159-I216 HydrophobicContact CE2-CG1 4Å; F159-I216 HydrophobicContact CZ-CB 4.46Å; F159-I216 HydrophobicContact CZ-CD1 3.57Å; F159-I216 HydrophobicContact CZ-CG1 3.56Å; F159-I216 HydrophobicContact CZ-CG2 4.07Å; V166-I216 HydrophobicContact CG1-CD1 4.35Å; I168-I216 HydrophobicContact CD1-CD1 4.49Å; I168-I216 HydrophobicContact CD1-CG2 4.07Å; V181-I216 HydrophobicContact CG1-CD1 3.9Å; V181-I216 HydrophobicContact CG2-CD1 4.02Å; A209-I216 HydrophobicContact CB-CG2 3.99Å; V211-I216 HydrophobicContact CG2-CG1 4.1Å; I216-L218 PolarHBondContact O-N 3.32Å; I216-I232 HydrophobicContact CB-CB 4.25Å; I216-I232 PolarHBondContact N-O 2.62Å; I216-I232 PolarHBondContact O-N 3Å; I216-I234 HydrophobicContact CD1-CG1 4.15Å; I216-I234 HydrophobicContact CG1-CD1 4.42Å; I216-I234 HydrophobicContact CG1-CG1 3.76Å |
| 217 | S | 92.4 | Very high | 87.8 | Confident | 9 Ų | 9 | 34.5 Ų | 34.5 | 6% | 0.063 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 105.4 | 171.8 | 175.9 | 0 | 0 | 0 | 0 | 108.1 | A209 S210 M219 E229 | A209-S217 VanDerWaalsContact CA-O 3.22Å; A209-S217 WeakPolarHBondContact CA-O 3.29Å; A209-S217 WeakPolarHBondContact CB-O 3.33Å; S210-S217 PolarHBondContact N-O 3.48Å; S210-S217 PolarHBondContact O-N 3.42Å; S217-M219 VanDerWaalsContact O-SD 3.37Å; S217-M219 WeakPolarHBondContact OG-CE 3.48Å; S217-M219 PolarHBondContact OG-SD 3.41Å; S217-E229 WeakPolarHBondContact CB-OE1 3.18Å; S217-E229 VanDerWaalsContact OG-CD 3.29Å; S217-E229 VanDerWaalsContact OG-CG 3.27Å; S217-E229 WeakPolarHBondContact OG-CG 3.24Å; S217-E229 PolarHBondContact OG-OE1 3.32Å |
| 218 | L | 93.3 | Very high | 87.8 | Confident | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 113.4 | 174.8 | 179.5 | 74.2 | 0 | 0 | 0 | 108.3 | W155 I170 L194 F207 A209 I216 E229 T230 I232 | W155-L218 HydrophobicContact CH2-CD1 4.29Å; W155-L218 HydrophobicContact CZ3-CD1 4.03Å; I170-L218 HydrophobicContact CD1-CD1 4.33Å; I170-L218 HydrophobicContact CD1-CD2 3.8Å; I170-L218 HydrophobicContact CG1-CD1 4.39Å; I170-L218 HydrophobicContact CG1-CD2 4.4Å; L194-L218 HydrophobicContact CD1-CD2 3.74Å; L194-L218 HydrophobicContact CD2-CD2 4.36Å; F207-L218 HydrophobicContact CD1-CD1 4.13Å; F207-L218 HydrophobicContact CD1-CD2 4.27Å; F207-L218 HydrophobicContact CD1-CG 4.32Å; F207-L218 HydrophobicContact CE1-CD2 4.43Å; A209-L218 HydrophobicContact CB-CD1 4.24Å; I216-L218 PolarHBondContact O-N 3.32Å; L218-E229 CarbonylContact O-C 3.59Å; L218-E229 WeakPolarHBondContact O-CA 3.39Å; L218-T230 PolarHBondContact N-O 3.01Å; L218-T230 PolarHBondContact O-N 3.41Å; L218-I232 HydrophobicContact CB-CD1 3.92Å; L218-I232 HydrophobicContact CD2-CD1 4.04Å |
| 219 | M | 92.8 | Very high | 87.8 | Confident | 4 Ų | 4 | 36.7 Ų | 36.7 | 2% | 0.02 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 134 | 173.4 | -57.5 | 85.6 | 171.4 | 0 | 0 | 110.5 | F207 T208 S217 I227 Y228 L250 L265 I292 | F207-M219 CarbonylContact C-O 3.56Å; F207-M219 WeakPolarHBondContact CA-O 3.5Å; T208-M219 HydrophobicContact CG2-CB 3.84Å; T208-M219 HydrophobicContact CG2-SD 4.33Å; T208-M219 PolarHBondContact N-O 3.2Å; T208-M219 PolarHBondContact O-N 3.45Å; S217-M219 VanDerWaalsContact O-SD 3.37Å; S217-M219 WeakPolarHBondContact OG-CE 3.48Å; S217-M219 PolarHBondContact OG-SD 3.41Å; M219-I227 HydrophobicContact CB-CG2 4.31Å; M219-Y228 CarbonylContact C-O 3.59Å; M219-Y228 WeakPolarHBondContact CA-O 3.28Å; M219-L250 HydrophobicContact CG-CD2 4.27Å; M219-L265 HydrophobicContact CB-CD2 4.03Å; M219-I292 HydrophobicContact CE-CD1 4.46Å |
| 220 | S | 91.1 | Very high | 87.7 | Confident | 4 Ų | 4 | 36.9 Ų | 36.9 | 3% | 0.028 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 131.6 | 179.8 | 59.8 | 0 | 0 | 0 | 0 | 110.5 | S206 I227 Y228 | S206-S220 WeakPolarHBondContact O-CA 3.3Å; S220-I227 WeakPolarHBondContact O-CA 3.46Å; S220-Y228 PolarHBondContact N-O 3.25Å; S220-Y228 PolarHBondContact O-N 3.44Å |
| 221 | L | 89.4 | Confident | 87.8 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 124.5 | 170 | -179.5 | 65.2 | 0 | 0 | 0 | 109.3 | E205 S206 I227 V255 V263 L265 V275 | E205-L221 PolarHBondContact N-O 3.33Å; S206-L221 PolarHBondContact N-O 3.1Å; S206-L221 PolarHBondContact O-N 3.18Å; L221-I227 HydrophobicContact CD1-CD1 4.37Å; L221-I227 HydrophobicContact CD1-CG1 3.6Å; L221-V255 HydrophobicContact CD1-CG2 4.4Å; L221-V255 HydrophobicContact CD2-CG2 4.17Å; L221-V263 HydrophobicContact CD2-CB 4.06Å; L221-V263 HydrophobicContact CD2-CG1 3.17Å; L221-L265 HydrophobicContact CB-CB 4.36Å; L221-L265 HydrophobicContact CB-CD2 4.12Å; L221-V275 HydrophobicContact CD2-CG1 4.48Å |
| 222 | S | 87.1 | Confident | 88 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 159.6 | -179.2 | -68.1 | 0 | 0 | 0 | 0 | 111.1 | V203 D224 G225 C226 Y228 R247 | V203-S222 CarbonylContact O-C 3.55Å; V203-S222 WeakPolarHBondContact O-CA 3.31Å; S222-D224 WeakPolarHBondContact CB-OD1 3.04Å; S222-D224 PolarHBondContact O-N 3.15Å; S222-D224 VanDerWaalsContact O-N 3.08Å; S222-G225 PolarHBondContact O-N 3.18Å; S222-C226 PolarHBondContact N-O 2.9Å; S222-Y228 WeakPolarHBondContact OG-CD2 3.39Å; S222-Y228 WeakPolarHBondContact OG-CE2 3.26Å; S222-R247 PolarHBondContact OG-NH1 3.46Å |
| 223 | S | 82.6 | Confident | 88.3 | Confident | 39 Ų | 39 | 34.2 Ų | 34.2 | 27% | 0.273 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -13.2 | 179.3 | 62.2 | 0 | 0 | 0 | 0 | 114.7 | V203 G225 | V203-S223 PolarHBondContact N-OG 2.99Å; V203-S223 VanDerWaalsContact N-OG 3.11Å; V203-S223 PolarHBondContact O-N 3.48Å; S223-G225 PolarHBondContact O-N 3.25Å |
| 224 | D | 80.6 | Confident | 88.6 | Confident | 59 Ų | 59 | 26.1 Ų | 26.1 | 32% | 0.316 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -2 | 171 | 72.5 | -26.8 | 0 | 0 | 0 | 112.8 | S222 C226 Y228 | S222-D224 WeakPolarHBondContact CB-OD1 3.04Å; S222-D224 PolarHBondContact O-N 3.15Å; S222-D224 VanDerWaalsContact O-N 3.08Å; D224-C226 VanDerWaalsContact C-N 3.27Å; D224-C226 PolarHBondContact O-N 3.45Å; D224-C226 WeakPolarHBondContact OD1-CB 3.09Å; D224-C226 PolarHBondContact OD1-N 3.24Å; D224-C226 VanDerWaalsContact OD2-CB 3.26Å; D224-C226 WeakPolarHBondContact OD2-CB 3.16Å; D224-C226 PolarHBondContact OD2-SG 3.39Å; D224-Y228 PolarHBondContact OD2-OH 2.92Å |
| 225 | G | 81.8 | Confident | 88.3 | Confident | 2 Ų | 2 | 27.6 Ų | 27.6 | 2% | 0.021 | 13% | 0.133 | C | C | . | . | S | Bend | trans | 78.3 | 7.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | S222 S223 A253 V254 V255 | S222-G225 PolarHBondContact O-N 3.18Å; S223-G225 PolarHBondContact O-N 3.25Å; G225-A253 CarbonylContact O-C 3.55Å; G225-V254 PolarHBondContact O-N 3.06Å; G225-V255 VanDerWaalsContact CA-O 3.31Å; G225-V255 WeakPolarHBondContact CA-O 3.36Å; G225-V255 PolarHBondContact O-N 3.45Å |
| 226 | C | 87.1 | Confident | 87.5 | Confident | 7 Ų | 7 | 24.7 Ų | 24.7 | 5% | 0.047 | 12% | 0.123 | C | C | . | . | trans | -96.9 | 149.4 | 178.2 | -60.1 | 0 | 0 | 0 | 0 | 111.6 | S222 D224 Y228 L251 | S222-C226 PolarHBondContact N-O 2.9Å; D224-C226 VanDerWaalsContact C-N 3.27Å; D224-C226 PolarHBondContact O-N 3.45Å; D224-C226 WeakPolarHBondContact OD1-CB 3.09Å; D224-C226 PolarHBondContact OD1-N 3.24Å; D224-C226 VanDerWaalsContact OD2-CB 3.26Å; D224-C226 WeakPolarHBondContact OD2-CB 3.16Å; D224-C226 PolarHBondContact OD2-SG 3.39Å; C226-Y228 HydrophobicContact CB-CD2 4.49Å; C226-Y228 HydrophobicContact CB-CE2 3.8Å; C226-L251 WeakPolarHBondContact CA-O 3.12Å; C226-L251 WeakPolarHBondContact CB-O 3.11Å | ||
| 227 | I | 90.3 | Very high | 86.3 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 127.4 | 174.1 | -61.7 | 176.6 | 0 | 0 | 0 | 108 | M219 S220 L221 L250 L251 V254 L265 I273 V275 | M219-I227 HydrophobicContact CB-CG2 4.31Å; S220-I227 WeakPolarHBondContact O-CA 3.46Å; L221-I227 HydrophobicContact CD1-CD1 4.37Å; L221-I227 HydrophobicContact CD1-CG1 3.6Å; I227-L250 HydrophobicContact CG2-CB 4.43Å; I227-L250 HydrophobicContact CG2-CD2 4.28Å; I227-L250 WeakPolarHBondContact O-CA 3.2Å; I227-L250 WeakPolarHBondContact O-CB 3.49Å; I227-L250 PolarHBondContact O-N 2.75Å; I227-L251 HydrophobicContact CB-CB 4.26Å; I227-L251 HydrophobicContact CD1-CD1 4.25Å; I227-L251 PolarHBondContact N-O 2.89Å; I227-L251 PolarHBondContact O-N 2.99Å; I227-L251 VanDerWaalsContact O-N 3.12Å; I227-V254 HydrophobicContact CD1-CB 4.24Å; I227-V254 HydrophobicContact CD1-CG1 4.09Å; I227-V254 HydrophobicContact CD1-CG2 3.93Å; I227-V254 HydrophobicContact CG1-CB 4.49Å; I227-V254 HydrophobicContact CG1-CG2 4.12Å; I227-L265 HydrophobicContact CD1-CD1 3.76Å; I227-L265 HydrophobicContact CG2-CD2 4.26Å; I227-I273 HydrophobicContact CD1-CD1 3.45Å; I227-I273 VanDerWaalsContact CD1-CD1 3.45Å; I227-I273 HydrophobicContact CG2-CD1 4.48Å; I227-V275 HydrophobicContact CD1-CG2 3.8Å |
| 228 | Y | 90.7 | Very high | 85.2 | Confident | 21 Ų | 21 | 33.7 Ų | 33.7 | 8% | 0.082 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 150.8 | 176.7 | -62.1 | -89.9 | 0 | 0 | 0 | 110.3 | M219 S220 S222 D224 C226 R247 S248 Q249 | M219-Y228 CarbonylContact C-O 3.59Å; M219-Y228 WeakPolarHBondContact CA-O 3.28Å; S220-Y228 PolarHBondContact N-O 3.25Å; S220-Y228 PolarHBondContact O-N 3.44Å; S222-Y228 WeakPolarHBondContact OG-CD2 3.39Å; S222-Y228 WeakPolarHBondContact OG-CE2 3.26Å; D224-Y228 PolarHBondContact OD2-OH 2.92Å; C226-Y228 HydrophobicContact CB-CD2 4.49Å; C226-Y228 HydrophobicContact CB-CE2 3.8Å; Y228-R247 HydrophobicContact CD1-CG 3.94Å; Y228-R247 HydrophobicContact CG-CG 4.25Å; Y228-S248 CarbonylContact C-O 3.59Å; Y228-S248 VanDerWaalsContact CA-O 3.29Å; Y228-S248 WeakPolarHBondContact CA-O 3.42Å; Y228-Q249 HydrophobicContact CD1-CB 3.97Å; Y228-Q249 HydrophobicContact CD1-CG 4.36Å; Y228-Q249 HydrophobicContact CE1-CB 3.85Å; Y228-Q249 HydrophobicContact CE1-CG 4.06Å |
| 229 | E | 92.3 | Very high | 83.9 | Confident | 42 Ų | 42 | 36.4 Ų | 36.4 | 20% | 0.196 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 135.3 | 174.9 | -178.4 | 178 | -153 | 0 | 0 | 109.4 | S217 L218 L231 R247 S248 L250 | S217-E229 WeakPolarHBondContact CB-OE1 3.18Å; S217-E229 VanDerWaalsContact OG-CD 3.29Å; S217-E229 VanDerWaalsContact OG-CG 3.27Å; S217-E229 WeakPolarHBondContact OG-CG 3.24Å; S217-E229 PolarHBondContact OG-OE1 3.32Å; L218-E229 CarbonylContact O-C 3.59Å; L218-E229 WeakPolarHBondContact O-CA 3.39Å; E229-L231 HydrophobicContact CG-CD2 4.2Å; E229-R247 CarbonylContact O-C 3.49Å; E229-R247 WeakPolarHBondContact O-CA 3.29Å; E229-S248 PolarHBondContact N-O 3.38Å; E229-S248 PolarHBondContact O-N 2.69Å; E229-S248 PolarHBondContact O-OG 2.76Å; E229-L250 HydrophobicContact CB-CB 4.37Å |
| 230 | T | 91.6 | Very high | 82.4 | Confident | 6 Ų | 6 | 44.9 Ų | 44.9 | 4% | 0.037 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 123 | 170.8 | -54.2 | 0 | 0 | 0 | 0 | 109.3 | L194 L218 I232 L245 R247 | L194-T230 HydrophobicContact CD2-CG2 3.91Å; L218-T230 PolarHBondContact N-O 3.01Å; L218-T230 PolarHBondContact O-N 3.41Å; T230-I232 HydrophobicContact CG2-CG1 4.42Å; T230-L245 HydrophobicContact CG2-CB 3.68Å; T230-L245 HydrophobicContact CG2-CD1 4.19Å; T230-R247 WeakPolarHBondContact OG1-CB 3.39Å |
| 231 | L | 91.2 | Very high | 81.4 | Confident | 83 Ų | 83 | 51.4 Ų | 51.4 | 44% | 0.435 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 110.6 | 179.2 | -61.5 | 178.9 | 0 | 0 | 0 | 110.1 | F215 E229 | F215-L231 HydrophobicContact CB-CB 4.47Å; F215-L231 HydrophobicContact CD1-CB 4.43Å; E229-L231 HydrophobicContact CG-CD2 4.2Å |
| 232 | I | 90.5 | Very high | 80.5 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 119.3 | 179.7 | -52.7 | 170.4 | 0 | 0 | 0 | 108.5 | I168 A179 V181 Y192 F215 I216 L218 T230 I234 L245 | I168-I232 HydrophobicContact CD1-CD1 3.54Å; A179-I232 HydrophobicContact CB-CD1 3.8Å; V181-I232 HydrophobicContact CG2-CG2 3.79Å; Y192-I232 HydrophobicContact CD1-CG2 4.5Å; Y192-I232 HydrophobicContact CD2-CG2 3.72Å; Y192-I232 HydrophobicContact CE1-CG2 4.43Å; Y192-I232 HydrophobicContact CE2-CG2 3.64Å; Y192-I232 HydrophobicContact CG-CG2 4.17Å; F215-I232 CarbonylContact C-O 3.57Å; F215-I232 WeakPolarHBondContact CA-O 3.4Å; I216-I232 HydrophobicContact CB-CB 4.25Å; I216-I232 PolarHBondContact N-O 2.62Å; I216-I232 PolarHBondContact O-N 3Å; L218-I232 HydrophobicContact CB-CD1 3.92Å; L218-I232 HydrophobicContact CD2-CD1 4.04Å; T230-I232 HydrophobicContact CG2-CG1 4.42Å; I232-I234 PolarHBondContact O-N 2.82Å; I232-L245 HydrophobicContact CB-CD1 4.05Å; I232-L245 HydrophobicContact CG1-CD1 3.61Å; I232-L245 HydrophobicContact CG2-CD1 4.07Å |
| 233 | P | 88.7 | Confident | 80.3 | Confident | 21 Ų | 21 | 58.4 Ų | 58.4 | 14% | 0.136 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 131.6 | 178.9 | 27 | -31.3 | 0 | 0 | 0 | 110.6 | Y192 F215 R235 | Y192-P233 HydrophobicContact CE1-CG 3.89Å; Y192-P233 PolarHBondContact OH-O 3.36Å; Y192-P233 VanDerWaalsContact OH-O 3.11Å; F215-P233 HydrophobicContact CD1-CB 4.13Å; F215-P233 HydrophobicContact CE1-CB 4.13Å; P233-R235 VanDerWaalsContact C-N 3.27Å; P233-R235 PolarHBondContact O-N 3.32Å |
| 234 | I | 81.9 | Confident | 80.3 | Confident | 14 Ų | 14 | 61 Ų | 61 | 7% | 0.072 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -67 | -34.2 | 178.8 | -64.7 | 167.5 | 0 | 0 | 0 | 110.9 | V161 M183 V211 D212 K214 I216 I232 | V161-I234 HydrophobicContact CG1-CD1 3.93Å; V161-I234 HydrophobicContact CG2-CD1 4.23Å; M183-I234 HydrophobicContact SD-CG2 3.71Å; M183-I234 VanDerWaalsContact SD-O 3.38Å; V211-I234 HydrophobicContact CG2-CD1 3.83Å; D212-I234 WeakPolarHBondContact O-CD1 3.27Å; K214-I234 PolarHBondContact O-N 3.44Å; I216-I234 HydrophobicContact CD1-CG1 4.15Å; I216-I234 HydrophobicContact CG1-CD1 4.42Å; I216-I234 HydrophobicContact CG1-CG1 3.76Å; I232-I234 PolarHBondContact O-N 2.82Å |
| 235 | R | 78.3 | Confident | 80.6 | Confident | 181 Ų | 181 | 59.3 Ų | 59.3 | 68% | 0.683 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -113.7 | 110 | 174.9 | -64.6 | -179.1 | -172.9 | 148.7 | 1.6 | 108.4 | M183 P233 | M183-R235 HydrophobicContact CE-CG 4.38Å; M183-R235 HydrophobicContact SD-CG 4.49Å; P233-R235 VanDerWaalsContact C-N 3.27Å; P233-R235 PolarHBondContact O-N 3.32Å |
| 236 | P | 72.1 | Confident | 80.7 | Confident | 26 Ų | 26 | 64.4 Ų | 64.4 | 17% | 0.169 | 33% | 0.333 | C | S | . | . | trans | -65.9 | 148.3 | 175.7 | 27.6 | -35.1 | 0 | 0 | 0 | 111 | T190 D238 P239 | T190-P236 HydrophobicContact CG2-CB 3.99Å; T190-P236 HydrophobicContact CG2-CG 4.03Å; P236-D238 VanDerWaalsContact C-N 3.3Å; P236-P239 HydrophobicContact CG-CB 3.92Å | ||
| 237 | T | 67.1 | Low | 80.7 | Confident | 142 Ų | 142 | 65.2 Ų | 65.2 | 87% | 0.871 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -68.4 | -32.8 | 170 | -37.8 | 0 | 0 | 0 | 0 | 111.6 | ||
| 238 | D | 69.3 | Low | 80.5 | Confident | 55 Ų | 55 | 68.2 Ų | 68.2 | 29% | 0.294 | 36% | 0.356 | S | S | . | . | trans | -143.3 | 109.3 | 175.9 | -173.9 | -10.8 | 0 | 0 | 0 | 108.7 | P236 E240 K241 Q243 | P236-D238 VanDerWaalsContact C-N 3.3Å; D238-E240 PolarHBondContact OD1-N 3.35Å; D238-K241 VanDerWaalsContact OD2-CD 3.28Å; D238-K241 WeakPolarHBondContact OD2-CD 3.42Å; D238-K241 WeakPolarHBondContact OD2-CE 3.47Å; D238-K241 IonicContact OD2-NZ 2.83Å; D238-Q243 PolarHBondContact O-NE2 2.84Å | ||
| 239 | P | 64.6 | Low | 80.4 | Confident | 58 Ų | 58 | 72.2 Ų | 72.2 | 38% | 0.377 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -76.6 | -16.9 | -174.5 | 29.7 | -33.9 | 0 | 0 | 0 | 114.1 | I188 P236 | I188-P239 HydrophobicContact CG2-CB 3.87Å; P236-P239 HydrophobicContact CG-CB 3.92Å |
| 240 | E | 62 | Low | 80.2 | Confident | 183 Ų | 183 | 71.2 Ų | 71.2 | 86% | 0.855 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -90.2 | -18 | -175.8 | -66 | -172.4 | 174.3 | 0 | 0 | 113 | D238 | D238-E240 PolarHBondContact OD1-N 3.35Š|
| 241 | K | 69.8 | Low | 79.9 | Confident | 140 Ų | 140 | 71.1 Ų | 71.1 | 61% | 0.609 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -95.3 | 131.3 | 177.3 | -69.7 | -176.2 | -172.7 | 165.7 | 0 | 111.4 | D238 Q243 | D238-K241 VanDerWaalsContact OD2-CD 3.28Å; D238-K241 WeakPolarHBondContact OD2-CD 3.42Å; D238-K241 WeakPolarHBondContact OD2-CE 3.47Å; D238-K241 IonicContact OD2-NZ 2.83Å; K241-Q243 PolarHBondContact O-N 3.18Å; K241-Q243 VanDerWaalsContact O-N 3.11Å |
| 242 | N | 71.9 | Confident | 79.6 | Confident | 106 Ų | 106 | 74.9 Ų | 74.9 | 57% | 0.567 | 38% | 0.383 | S | S | * | . | trans | -60.7 | 114.1 | 166.3 | -71.2 | -20.5 | 0 | 0 | 0 | 109.1 | ||||
| 243 | Q | 81.1 | Confident | 78.8 | Confident | 41 Ų | 41 | 76.4 Ų | 76.4 | 19% | 0.192 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 134.8 | 177.9 | -67.3 | 175 | 25.4 | 0 | 0 | 109.5 | Y192 T193 D238 K241 | Y192-Q243 CarbonylContact C-O 3.59Å; Y192-Q243 WeakPolarHBondContact CA-O 3.48Å; Y192-Q243 HydrophobicContact CD1-CB 3.76Å; Y192-Q243 HydrophobicContact CE1-CB 4Å; T193-Q243 PolarHBondContact N-O 2.99Å; D238-Q243 PolarHBondContact O-NE2 2.84Å; K241-Q243 PolarHBondContact O-N 3.18Å; K241-Q243 VanDerWaalsContact O-N 3.11Å |
| 244 | T | 83.9 | Confident | 78.2 | Confident | 94 Ų | 94 | 75.5 Ų | 75.5 | 58% | 0.577 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 130.7 | 173 | 46.1 | 0 | 0 | 0 | 0 | 109.7 | L195 | L195-T244 HydrophobicContact CD1-CG2 4.46Å |
| 245 | L | 86.5 | Confident | 77.8 | Confident | 23 Ų | 23 | 75.1 Ų | 75.1 | 12% | 0.12 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 138.2 | 177.8 | -62.6 | 177.5 | 0 | 0 | 0 | 109.8 | Y192 T193 L194 L195 T230 I232 | Y192-L245 HydrophobicContact CD1-CD1 3.58Å; Y192-L245 HydrophobicContact CD1-CD2 4.28Å; Y192-L245 HydrophobicContact CD1-CG 3.89Å; Y192-L245 HydrophobicContact CE1-CD1 4.38Å; Y192-L245 HydrophobicContact CG-CD1 3.77Å; Y192-L245 HydrophobicContact CG-CG 4.4Å; T193-L245 PolarHBondContact O-N 3.19Å; L194-L245 HydrophobicContact CD2-CB 4.44Å; L194-L245 HydrophobicContact CD2-CD1 4.47Å; L195-L245 PolarHBondContact N-O 2.9Å; T230-L245 HydrophobicContact CG2-CB 3.68Å; T230-L245 HydrophobicContact CG2-CD1 4.19Å; I232-L245 HydrophobicContact CB-CD1 4.05Å; I232-L245 HydrophobicContact CG1-CD1 3.61Å; I232-L245 HydrophobicContact CG2-CD1 4.07Å |
| 246 | V | 84.2 | Confident | 77.3 | Confident | 110 Ų | 110 | 68.4 Ų | 68.4 | 67% | 0.667 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 134.7 | -180 | -177.6 | 0 | 0 | 0 | 0 | 108.8 | L195 | L195-V246 HydrophobicContact CD1-CG2 4.33Å |
| 247 | R | 86.3 | Confident | 76.5 | Confident | 23 Ų | 23 | 69.5 Ų | 69.5 | 9% | 0.087 | 39% | 0.385 | C | S | . | . | trans | -82.8 | 138.1 | 173.3 | 72.8 | -177.2 | -172.4 | -174.5 | -5.8 | 111.2 | G197 S202 S222 Y228 E229 T230 | G197-R247 VanDerWaalsContact N-NE 3.15Å; S202-R247 PolarHBondContact OG-NH2 2.95Å; S222-R247 PolarHBondContact OG-NH1 3.46Å; Y228-R247 HydrophobicContact CD1-CG 3.94Å; Y228-R247 HydrophobicContact CG-CG 4.25Å; E229-R247 CarbonylContact O-C 3.49Å; E229-R247 WeakPolarHBondContact O-CA 3.29Å; T230-R247 WeakPolarHBondContact OG1-CB 3.39Å | ||
| 248 | S | 87.5 | Confident | 75.8 | Confident | 64 Ų | 64 | 69.9 Ų | 69.9 | 45% | 0.448 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 141.4 | 169.7 | 49.4 | 0 | 0 | 0 | 0 | 110.4 | Y228 E229 L250 | Y228-S248 CarbonylContact C-O 3.59Å; Y228-S248 VanDerWaalsContact CA-O 3.29Å; Y228-S248 WeakPolarHBondContact CA-O 3.42Å; E229-S248 PolarHBondContact N-O 3.38Å; E229-S248 PolarHBondContact O-N 2.69Å; E229-S248 PolarHBondContact O-OG 2.76Å; S248-L250 PolarHBondContact O-N 2.97Å |
| 249 | Q | 88.1 | Confident | 75.1 | Confident | 104 Ų | 104 | 69 Ų | 69 | 49% | 0.486 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 125.3 | 177.2 | -169.9 | -177.3 | -43.7 | 0 | 0 | 110.3 | Y228 | Y228-Q249 HydrophobicContact CD1-CB 3.97Å; Y228-Q249 HydrophobicContact CD1-CG 4.36Å; Y228-Q249 HydrophobicContact CE1-CB 3.85Å; Y228-Q249 HydrophobicContact CE1-CG 4.06Å |
| 250 | L | 87.3 | Confident | 74.4 | Confident | 21 Ų | 21 | 78.1 Ų | 78.1 | 11% | 0.11 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | -48.6 | -178.9 | -172.3 | 66.4 | 0 | 0 | 0 | 111.7 | M219 I227 E229 S248 I292 Q295 | M219-L250 HydrophobicContact CG-CD2 4.27Å; I227-L250 HydrophobicContact CG2-CB 4.43Å; I227-L250 HydrophobicContact CG2-CD2 4.28Å; I227-L250 WeakPolarHBondContact O-CA 3.2Å; I227-L250 WeakPolarHBondContact O-CB 3.49Å; I227-L250 PolarHBondContact O-N 2.75Å; E229-L250 HydrophobicContact CB-CB 4.37Å; S248-L250 PolarHBondContact O-N 2.97Å; L250-I292 HydrophobicContact CD1-CB 4.22Å; L250-I292 HydrophobicContact CD2-CB 3.97Å; L250-I292 HydrophobicContact CD2-CD1 4.42Å; L250-I292 HydrophobicContact CD2-CG2 3.84Å; L250-I292 HydrophobicContact CG-CB 4.18Å; L250-I292 HydrophobicContact CG-CG2 4.44Å; L250-Q295 PolarHBondContact O-NE2 3.47Å |
| 251 | L | 86.2 | Confident | 74.3 | Confident | 5 Ų | 5 | 73.2 Ų | 73.2 | 3% | 0.026 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 145.1 | 178.4 | -63.3 | 171.5 | 0 | 0 | 0 | 110.5 | C226 I227 V254 I273 W290 I292 Q295 | C226-L251 WeakPolarHBondContact CA-O 3.12Å; C226-L251 WeakPolarHBondContact CB-O 3.11Å; I227-L251 HydrophobicContact CB-CB 4.26Å; I227-L251 HydrophobicContact CD1-CD1 4.25Å; I227-L251 PolarHBondContact N-O 2.89Å; I227-L251 PolarHBondContact O-N 2.99Å; I227-L251 VanDerWaalsContact O-N 3.12Å; L251-V254 HydrophobicContact CB-CG2 3.54Å; L251-V254 HydrophobicContact CD1-CG2 4.17Å; L251-V254 HydrophobicContact CG-CG2 4.5Å; L251-I273 HydrophobicContact CD1-CD1 3.54Å; L251-I273 HydrophobicContact CD1-CG1 4.4Å; L251-W290 HydrophobicContact CD1-CB 3.95Å; L251-W290 HydrophobicContact CD1-CD2 4.47Å; L251-W290 HydrophobicContact CD1-CE3 4.43Å; L251-W290 HydrophobicContact CD1-CG 4.29Å; L251-I292 HydrophobicContact CD1-CG2 4.39Å; L251-Q295 HydrophobicContact CD2-CB 3.66Å; L251-Q295 HydrophobicContact CD2-CG 3.77Å |
| 252 | K | 84.3 | Confident | 74.2 | Confident | 161 Ų | 161 | 68.4 Ų | 68.4 | 70% | 0.7 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -106 | 138.7 | 178.9 | -163.9 | 176 | 180 | 176.1 | 0 | 110.7 | V254 | K252-V254 PolarHBondContact O-N 3.2Š|
| 253 | A | 73.5 | Confident | 74.7 | Confident | 33 Ų | 33 | 64.1 Ų | 64.1 | 27% | 0.273 | 35% | 0.353 | S | S | . | . | S | Bend | trans | 56.1 | 45.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 115 | G225 | G225-A253 CarbonylContact O-C 3.55Š|
| 254 | V | 76 | Confident | 75 | Confident | 2 Ų | 2 | 62.5 Ų | 62.5 | 1% | 0.012 | 35% | 0.347 | C | S | . | . | trans | -75.4 | -35.9 | -179.9 | -175.9 | 0 | 0 | 0 | 0 | 111.4 | G225 I227 L251 K252 V275 W290 | G225-V254 PolarHBondContact O-N 3.06Å; I227-V254 HydrophobicContact CD1-CB 4.24Å; I227-V254 HydrophobicContact CD1-CG1 4.09Å; I227-V254 HydrophobicContact CD1-CG2 3.93Å; I227-V254 HydrophobicContact CG1-CB 4.49Å; I227-V254 HydrophobicContact CG1-CG2 4.12Å; L251-V254 HydrophobicContact CB-CG2 3.54Å; L251-V254 HydrophobicContact CD1-CG2 4.17Å; L251-V254 HydrophobicContact CG-CG2 4.5Å; K252-V254 PolarHBondContact O-N 3.2Å; V254-V275 HydrophobicContact CG1-CB 4.11Å; V254-V275 HydrophobicContact CG1-CG1 3.92Å; V254-V275 HydrophobicContact CG1-CG2 3.94Å; V254-W290 HydrophobicContact CG1-CD2 4.39Å; V254-W290 HydrophobicContact CG1-CZ2 3.98Å | ||
| 255 | V | 74.8 | Confident | 75.4 | Confident | 6 Ų | 6 | 58.2 Ų | 58.2 | 4% | 0.036 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -129.1 | 149.7 | -178.4 | -173.6 | 0 | 0 | 0 | 0 | 109.9 | L221 G225 T259 V263 V275 S278 | L221-V255 HydrophobicContact CD1-CG2 4.4Å; L221-V255 HydrophobicContact CD2-CG2 4.17Å; G225-V255 VanDerWaalsContact CA-O 3.31Å; G225-V255 WeakPolarHBondContact CA-O 3.36Å; G225-V255 PolarHBondContact O-N 3.45Å; V255-T259 HydrophobicContact CG1-CG2 4.19Å; V255-V263 HydrophobicContact CG1-CG1 4.12Å; V255-V263 HydrophobicContact CG1-CG2 4.33Å; V255-V263 HydrophobicContact CG2-CG1 4.03Å; V255-V275 HydrophobicContact CG2-CG1 3.6Å; V255-S278 CarbonylContact C-O 3.56Å; V255-S278 WeakPolarHBondContact CA-O 3.4Å; V255-S278 WeakPolarHBondContact CG1-O 3.5Å |
| 256 | S | 66.4 | Low | 75.6 | Confident | 39 Ų | 39 | 57.5 Ų | 57.5 | 27% | 0.273 | 32% | 0.317 | S | S | . | . | trans | -81.1 | 126.9 | 173.5 | -171 | 0 | 0 | 0 | 0 | 110.8 | N258 S278 | S256-N258 PolarHBondContact O-N 3.07Å; S256-S278 PolarHBondContact N-O 2.91Å | ||
| 257 | G | 55.1 | Low | 75.9 | Confident | 49 Ų | 49 | 52.4 Ų | 52.4 | 51% | 0.505 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | 14 | -175.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 258 | N | 53.2 | Low | 76.1 | Confident | 151 Ų | 151 | 52.1 Ų | 52.1 | 81% | 0.807 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.9 | 23.7 | -179.6 | -88.9 | 6.6 | 0 | 0 | 0 | 113.4 | S256 R260 | S256-N258 PolarHBondContact O-N 3.07Å; N258-R260 PolarHBondContact O-N 3.28Å |
| 259 | T | 53.8 | Low | 76 | Confident | 37 Ų | 37 | 51.7 Ų | 51.7 | 23% | 0.227 | 28% | 0.279 | C | S | . | . | trans | -72.4 | 116.5 | -179.2 | 39 | 0 | 0 | 0 | 0 | 111.7 | V255 N261 V263 S278 | V255-T259 HydrophobicContact CG1-CG2 4.19Å; T259-N261 PolarHBondContact O-N 3.09Å; T259-V263 WeakPolarHBondContact OG1-CG2 3.4Å; T259-S278 VanDerWaalsContact CG2-CB 3.45Å | ||
| 260 | R | 50.9 | Low | 75.8 | Confident | 248 Ų | 248 | 53.8 Ų | 53.8 | 94% | 0.936 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -72.9 | -12.5 | 173.1 | -73.5 | -175.9 | 175.5 | -175.1 | -2 | 113.5 | N258 | N258-R260 PolarHBondContact O-N 3.28Š|
| 261 | N | 58.6 | Low | 75.9 | Confident | 80 Ų | 80 | 54.5 Ų | 54.5 | 43% | 0.428 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -119.3 | 146 | -175.4 | -64.2 | -13.7 | 0 | 0 | 0 | 108.9 | T259 E285 | T259-N261 PolarHBondContact O-N 3.09Å; N261-E285 WeakPolarHBondContact CB-OE1 2.98Å; N261-E285 VanDerWaalsContact CG-OE1 3.24Å; N261-E285 PolarHBondContact ND2-OE1 3.14Å |
| 262 | G | 69.3 | Low | 76.1 | Confident | 40 Ų | 40 | 54.3 Ų | 54.3 | 41% | 0.412 | 29% | 0.292 | S | S | . | . | trans | -58 | 149.9 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | G309 | G262-G309 VanDerWaalsContact C-CA 3.46Å; G262-G309 WeakPolarHBondContact O-CA 3.05Å | ||
| 263 | V | 82.7 | Confident | 76.5 | Confident | 15 Ų | 15 | 46.7 Ų | 46.7 | 9% | 0.091 | 26% | 0.259 | C | S | . | . | trans | -110.6 | 133.4 | -178.6 | -165.7 | 0 | 0 | 0 | 0 | 108.6 | L221 V255 T259 L276 | L221-V263 HydrophobicContact CD2-CB 4.06Å; L221-V263 HydrophobicContact CD2-CG1 3.17Å; V255-V263 HydrophobicContact CG1-CG1 4.12Å; V255-V263 HydrophobicContact CG1-CG2 4.33Å; V255-V263 HydrophobicContact CG2-CG1 4.03Å; T259-V263 WeakPolarHBondContact OG1-CG2 3.4Å; V263-L276 WeakPolarHBondContact CA-O 3.41Å; V263-L276 WeakPolarHBondContact CG1-O 3.34Å | ||
| 264 | A | 87.4 | Confident | 77.4 | Confident | 7 Ų | 7 | 45.1 Ų | 45.1 | 6% | 0.058 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 139.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V275 L276 L311 | A264-V275 WeakPolarHBondContact O-CA 3.47Å; A264-L276 HydrophobicContact CB-CB 4.07Å; A264-L276 HydrophobicContact CB-CD2 4.39Å; A264-L276 PolarHBondContact N-O 3.11Å; A264-L276 PolarHBondContact O-N 3.44Å; A264-L311 HydrophobicContact CB-CB 3.69Å |
| 265 | L | 91 | Very high | 78.1 | Confident | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 130.2 | 176.8 | 176.6 | 65.3 | 0 | 0 | 0 | 109.7 | S206 T208 M219 L221 I227 I273 V275 | S206-L265 PolarHBondContact OG-N 3.38Å; S206-L265 VanDerWaalsContact OG-N 3.09Å; T208-L265 WeakPolarHBondContact CB-O 3.27Å; T208-L265 HydrophobicContact CG2-CD2 3.9Å; T208-L265 HydrophobicContact CG2-CG 3.71Å; M219-L265 HydrophobicContact CB-CD2 4.03Å; L221-L265 HydrophobicContact CB-CB 4.36Å; L221-L265 HydrophobicContact CB-CD2 4.12Å; I227-L265 HydrophobicContact CD1-CD1 3.76Å; I227-L265 HydrophobicContact CG2-CD2 4.26Å; L265-I273 HydrophobicContact CD1-CB 4.44Å; L265-I273 HydrophobicContact CD1-CD1 4.1Å; L265-V275 HydrophobicContact CD1-CG2 3.74Å |
| 266 | T | 90.7 | Very high | 78.8 | Confident | 8 Ų | 8 | 44.7 Ų | 44.7 | 5% | 0.049 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 129.8 | 178.2 | -67 | 0 | 0 | 0 | 0 | 111.9 | L268 I273 A274 Y313 | T266-L268 HydrophobicContact CG2-CD2 4.4Å; T266-I273 CarbonylContact O-C 3.51Å; T266-I273 WeakPolarHBondContact O-CA 3.41Å; T266-A274 PolarHBondContact N-O 3.24Å; T266-A274 PolarHBondContact O-N 3.09Å; T266-Y313 HydrophobicContact CG2-CD1 3.11Å; T266-Y313 HydrophobicContact CG2-CD2 4.46Å; T266-Y313 HydrophobicContact CG2-CE1 3.73Å; T266-Y313 HydrophobicContact CG2-CG 3.55Å |
| 267 | A | 91.1 | Very high | 79.6 | Confident | 4 Ų | 4 | 43 Ų | 43 | 3% | 0.033 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 118.2 | 171 | 0 | 0 | 0 | 0 | 0 | 110.4 | T208 | T208-A267 HydrophobicContact CG2-CB 4Å; T208-A267 PolarHBondContact OG1-N 3.07Å; T208-A267 VanDerWaalsContact OG1-N 3.17Å |
| 268 | L | 89.6 | Confident | 80.7 | Confident | 16 Ų | 16 | 41.4 Ų | 41.4 | 8% | 0.084 | 21% | 0.213 | C | C | . | . | trans | -84.5 | -43.7 | -178.9 | -59.1 | -177.9 | 0 | 0 | 0 | 111.3 | T266 H272 A274 V289 L318 Y331 | T266-L268 HydrophobicContact CG2-CD2 4.4Å; L268-H272 HydrophobicContact CB-CB 4.34Å; L268-H272 PolarHBondContact N-O 2.96Å; L268-A274 HydrophobicContact CD1-CB 4.04Å; L268-A274 HydrophobicContact CD2-CB 3.79Å; L268-A274 HydrophobicContact CG-CB 3.97Å; L268-V289 HydrophobicContact CD1-CG1 3.77Å; L268-V289 HydrophobicContact CD1-CG2 4.16Å; L268-L318 HydrophobicContact CD2-CD1 4.34Å; L268-L318 HydrophobicContact CD2-CD2 3.74Å; L268-L318 HydrophobicContact CD2-CG 4.4Å; L268-Y331 HydrophobicContact CB-CE2 3.87Å; L268-Y331 HydrophobicContact CD1-CD2 3.99Å; L268-Y331 HydrophobicContact CD1-CE2 3.94Å; L268-Y331 HydrophobicContact CD2-CE1 4.11Å; L268-Y331 HydrophobicContact CD2-CE2 4.1Å; L268-Y331 HydrophobicContact CG-CE2 4.19Å | ||
| 269 | D | 86.5 | Confident | 81.5 | Confident | 56 Ų | 56 | 35.6 Ų | 35.6 | 30% | 0.299 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -149.1 | -157.8 | 175.1 | 67.7 | 22.8 | 0 | 0 | 0 | 110.3 | D271 H272 C333 | D269-D271 WeakPolarHBondContact OD1-CA 3.49Å; D269-D271 PolarHBondContact OD1-N 3.4Å; D269-H272 VanDerWaalsContact CG-ND1 3.27Å; D269-H272 PolarHBondContact N-O 3.41Å; D269-H272 WeakPolarHBondContact OD1-CA 3.22Å; D269-H272 VanDerWaalsContact OD1-CB 3.32Å; D269-H272 WeakPolarHBondContact OD1-CB 3.4Å; D269-H272 IonicContact OD1-CG 2.65Å; D269-H272 PolarHBondContact OD1-N 2.69Å; D269-H272 IonicContact OD1-ND1 2.76Å; D269-H272 PolarHBondContact OD1-ND1 3.06Å; D269-H272 IonicContact OD2-CE1 2.88Å; D269-H272 IonicContact OD2-CG 2.75Å; D269-H272 IonicContact OD2-ND1 2.75Å; D269-H272 PolarHBondContact OD2-ND1 3.39Å; D269-C333 VanDerWaalsContact OD2-CB 3.28Å; D269-C333 WeakPolarHBondContact OD2-CB 3.27Å |
| 270 | Q | 84.3 | Confident | 81.8 | Confident | 147 Ų | 147 | 40.6 Ų | 40.6 | 69% | 0.687 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -73.2 | -24.3 | 179.4 | -66.8 | -174 | -18.4 | 0 | 0 | 114.1 | I292 | Q270-I292 WeakPolarHBondContact O-CD1 3.17Š|
| 271 | D | 88.7 | Confident | 82 | Confident | 37 Ų | 37 | 34 Ų | 34 | 20% | 0.198 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -121 | -8.1 | -172.8 | -69.8 | -29.4 | 0 | 0 | 0 | 113.3 | D269 N291 I292 S336 | D269-D271 WeakPolarHBondContact OD1-CA 3.49Å; D269-D271 PolarHBondContact OD1-N 3.4Å; D271-N291 CarbonylContact O-C 3.5Å; D271-N291 WeakPolarHBondContact O-CA 3.4Å; D271-I292 WeakPolarHBondContact O-CG1 3.49Å; D271-I292 PolarHBondContact O-N 3.36Å; D271-S336 WeakPolarHBondContact CB-OG 3.38Å; D271-S336 VanDerWaalsContact CG-OG 3.25Å; D271-S336 VanDerWaalsContact OD2-CB 3.22Å; D271-S336 WeakPolarHBondContact OD2-CB 3.43Å; D271-S336 PolarHBondContact OD2-OG 2.91Å |
| 272 | H | 90.6 | Very high | 81.9 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 137.4 | -172.3 | -56.7 | 95.7 | 0 | 0 | 0 | 111.8 | L268 D269 V289 W290 N291 Q298 E334 S336 | L268-H272 HydrophobicContact CB-CB 4.34Å; L268-H272 PolarHBondContact N-O 2.96Å; D269-H272 VanDerWaalsContact CG-ND1 3.27Å; D269-H272 PolarHBondContact N-O 3.41Å; D269-H272 WeakPolarHBondContact OD1-CA 3.22Å; D269-H272 VanDerWaalsContact OD1-CB 3.32Å; D269-H272 WeakPolarHBondContact OD1-CB 3.4Å; D269-H272 IonicContact OD1-CG 2.65Å; D269-H272 PolarHBondContact OD1-N 2.69Å; D269-H272 IonicContact OD1-ND1 2.76Å; D269-H272 PolarHBondContact OD1-ND1 3.06Å; D269-H272 IonicContact OD2-CE1 2.88Å; D269-H272 IonicContact OD2-CG 2.75Å; D269-H272 IonicContact OD2-ND1 2.75Å; D269-H272 PolarHBondContact OD2-ND1 3.39Å; H272-V289 HydrophobicContact CB-CG1 4.41Å; H272-W290 VanDerWaalsContact CA-O 3.28Å; H272-W290 WeakPolarHBondContact CA-O 3.47Å; H272-N291 PolarHBondContact NE2-ND2 2.9Å; H272-Q298 PolarHBondContact CD2-OE1 3.31Å; H272-Q298 PolarHBondContact NE2-NE2 2.79Å; H272-Q298 PolarHBondContact NE2-OE1 3.29Å; H272-E334 PolarHBondContact CE1-O 3.49Å; H272-S336 PolarHBondContact CE1-OG 2.96Å; H272-S336 VanDerWaalsContact CE1-OG 3.25Å |
| 273 | I | 92.4 | Very high | 81.4 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 144.2 | 174.8 | 64.3 | 174.9 | 0 | 0 | 0 | 109.8 | I227 L251 L265 T266 V275 V289 W290 I292 | I227-I273 HydrophobicContact CD1-CD1 3.45Å; I227-I273 VanDerWaalsContact CD1-CD1 3.45Å; I227-I273 HydrophobicContact CG2-CD1 4.48Å; L251-I273 HydrophobicContact CD1-CD1 3.54Å; L251-I273 HydrophobicContact CD1-CG1 4.4Å; L265-I273 HydrophobicContact CD1-CB 4.44Å; L265-I273 HydrophobicContact CD1-CD1 4.1Å; T266-I273 CarbonylContact O-C 3.51Å; T266-I273 WeakPolarHBondContact O-CA 3.41Å; I273-V275 HydrophobicContact CD1-CG2 4.21Å; I273-V275 HydrophobicContact CG1-CG2 4.36Å; I273-V289 CarbonylContact O-C 3.51Å; I273-V289 WeakPolarHBondContact O-CA 3.43Å; I273-W290 HydrophobicContact CD1-CB 4.34Å; I273-W290 HydrophobicContact CG1-CB 3.81Å; I273-W290 PolarHBondContact N-O 3.49Å; I273-W290 PolarHBondContact O-N 3.08Å; I273-I292 HydrophobicContact CB-CG2 4.31Å; I273-I292 HydrophobicContact CD1-CG2 3.82Å; I273-I292 HydrophobicContact CG1-CG2 3.8Å; I273-I292 HydrophobicContact CG2-CG2 3.66Å |
| 274 | A | 92.6 | Very high | 80.9 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 135.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | T266 L268 L287 S288 L311 L318 | T266-A274 PolarHBondContact N-O 3.24Å; T266-A274 PolarHBondContact O-N 3.09Å; L268-A274 HydrophobicContact CD1-CB 4.04Å; L268-A274 HydrophobicContact CD2-CB 3.79Å; L268-A274 HydrophobicContact CG-CB 3.97Å; A274-L287 HydrophobicContact CB-CD1 4.26Å; A274-S288 CarbonylContact C-O 3.59Å; A274-S288 WeakPolarHBondContact CA-O 3.39Å; A274-L311 HydrophobicContact CB-CD2 3.9Å; A274-L318 HydrophobicContact CB-CD1 4.38Å |
| 275 | V | 90.9 | Very high | 80.6 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 120 | 179 | -173.4 | 0 | 0 | 0 | 0 | 108.7 | L221 I227 V254 V255 A264 L265 I273 S288 | L221-V275 HydrophobicContact CD2-CG1 4.48Å; I227-V275 HydrophobicContact CD1-CG2 3.8Å; V254-V275 HydrophobicContact CG1-CB 4.11Å; V254-V275 HydrophobicContact CG1-CG1 3.92Å; V254-V275 HydrophobicContact CG1-CG2 3.94Å; V255-V275 HydrophobicContact CG2-CG1 3.6Å; A264-V275 WeakPolarHBondContact O-CA 3.47Å; L265-V275 HydrophobicContact CD1-CG2 3.74Å; I273-V275 HydrophobicContact CD1-CG2 4.21Å; I273-V275 HydrophobicContact CG1-CG2 4.36Å; V275-S288 PolarHBondContact N-O 3.44Å; V275-S288 PolarHBondContact O-N 3.13Å; V275-S288 PolarHBondContact O-OG 3.11Å; V275-S288 VanDerWaalsContact O-OG 3.08Å |
| 276 | L | 88.1 | Confident | 80.3 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 111.8 | 173.1 | -179.5 | 67.5 | 0 | 0 | 0 | 108.2 | V263 A264 C286 L287 L303 T307 M320 | V263-L276 WeakPolarHBondContact CA-O 3.41Å; V263-L276 WeakPolarHBondContact CG1-O 3.34Å; A264-L276 HydrophobicContact CB-CB 4.07Å; A264-L276 HydrophobicContact CB-CD2 4.39Å; A264-L276 PolarHBondContact N-O 3.11Å; A264-L276 PolarHBondContact O-N 3.44Å; L276-C286 WeakPolarHBondContact CA-O 3.31Å; L276-L287 HydrophobicContact CD1-CB 4.33Å; L276-L303 HydrophobicContact CD1-CD1 3.48Å; L276-L303 VanDerWaalsContact CD1-CD1 3.48Å; L276-T307 HydrophobicContact CD1-CG2 4.18Å; L276-M320 HydrophobicContact CD1-CE 4.1Å |
| 277 | G | 84.1 | Confident | 80.3 | Confident | 3 Ų | 3 | 39.9 Ų | 39.9 | 3% | 0.031 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 178 | 173.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | P279 C286 | G277-P279 WeakPolarHBondContact O-CD 3.49Å; G277-C286 PolarHBondContact N-O 3.26Å; G277-C286 PolarHBondContact O-N 3Å; G277-C286 PolarHBondContact O-SG 2.91Å |
| 278 | S | 77.8 | Confident | 80.2 | Confident | 15 Ų | 15 | 39.9 Ų | 39.9 | 11% | 0.105 | 23% | 0.232 | C | C | . | . | trans | -82.9 | 117.6 | 174.6 | -157.5 | 0 | 0 | 0 | 0 | 109.2 | V255 S256 T259 A282 K284 | V255-S278 CarbonylContact C-O 3.56Å; V255-S278 WeakPolarHBondContact CA-O 3.4Å; V255-S278 WeakPolarHBondContact CG1-O 3.5Å; S256-S278 PolarHBondContact N-O 2.91Å; T259-S278 VanDerWaalsContact CG2-CB 3.45Å; S278-A282 PolarHBondContact OG-O 2.93Å; S278-K284 PolarHBondContact OG-O 3.49Å | ||
| 279 | P | 70.4 | Confident | 80.3 | Confident | 30 Ų | 30 | 39.1 Ų | 39.1 | 20% | 0.195 | 23% | 0.228 | C | C | . | . | trans | -70.5 | 156.6 | 178.1 | 29.7 | -28.8 | 0 | 0 | 0 | 109.4 | G277 A281 A282 C286 | G277-P279 WeakPolarHBondContact O-CD 3.49Å; P279-A281 PolarHBondContact O-N 3.06Å; P279-A282 HydrophobicContact CG-CB 3.64Å; P279-A282 PolarHBondContact O-N 3.33Å; P279-C286 WeakPolarHBondContact CD-SG 3.32Å; P279-C286 HydrophobicContact CG-CB 4.46Å; P279-C286 VanDerWaalsContact CG-SG 3.57Å | ||
| 280 | Q | 60.4 | Low | 80.5 | Confident | 142 Ų | 142 | 38.3 Ų | 38.3 | 66% | 0.664 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -21 | -172.9 | -163.8 | 169 | 34.2 | 0 | 0 | 114.6 | ||
| 281 | A | 54.9 | Low | 80.8 | Confident | 108 Ų | 108 | 31.3 Ų | 31.3 | 89% | 0.893 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | -13.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | P279 | P279-A281 PolarHBondContact O-N 3.06Š|
| 282 | A | 57 | Low | 80.8 | Confident | 33 Ų | 33 | 30.5 Ų | 30.5 | 27% | 0.273 | 18% | 0.183 | S | C | . | . | trans | -113.3 | 141.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | S278 P279 K284 | S278-A282 PolarHBondContact OG-O 2.93Å; P279-A282 HydrophobicContact CG-CB 3.64Å; P279-A282 PolarHBondContact O-N 3.33Å; A282-K284 VanDerWaalsContact C-N 3.26Å | ||
| 283 | S | 57.4 | Low | 80.6 | Confident | 122 Ų | 122 | 36.4 Ų | 36.4 | 85% | 0.853 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -81.3 | -4.8 | 175.4 | 57.2 | 0 | 0 | 0 | 0 | 113.6 | ||
| 284 | K | 73 | Confident | 80.3 | Confident | 99 Ų | 99 | 39.4 Ų | 39.4 | 43% | 0.43 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -114.2 | 148.2 | -177.1 | -61.3 | -180 | -171.8 | 166.8 | 0 | 110.4 | S278 A282 E302 | S278-K284 PolarHBondContact OG-O 3.49Å; A282-K284 VanDerWaalsContact C-N 3.26Å; K284-E302 IonicContact NZ-OE2 3.33Å |
| 285 | E | 80.3 | Confident | 80.1 | Confident | 21 Ų | 21 | 45.4 Ų | 45.4 | 10% | 0.098 | 25% | 0.25 | C | S | . | . | trans | -59.6 | 139.9 | 170.4 | -77 | 168.5 | -144.4 | 0 | 0 | 111.1 | N261 L303 T307 | N261-E285 WeakPolarHBondContact CB-OE1 2.98Å; N261-E285 VanDerWaalsContact CG-OE1 3.24Å; N261-E285 PolarHBondContact ND2-OE1 3.14Å; E285-L303 HydrophobicContact CB-CB 4.47Å; E285-L303 PolarHBondContact O-N 2.92Å; E285-T307 VanDerWaalsContact OE2-CB 3.23Å; E285-T307 WeakPolarHBondContact OE2-CB 3.48Å; E285-T307 VanDerWaalsContact OE2-CG2 3.27Å; E285-T307 WeakPolarHBondContact OE2-CG2 3.1Å; E285-T307 PolarHBondContact OE2-N 3.43Å; E285-T307 PolarHBondContact OE2-OG1 2.86Å | ||
| 286 | C | 86.5 | Confident | 79.9 | Confident | 3 Ų | 3 | 47.5 Ų | 47.5 | 2% | 0.02 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 150.1 | 173.6 | 78.9 | 0 | 0 | 0 | 0 | 110.8 | L276 G277 P279 S300 K301 | L276-C286 WeakPolarHBondContact CA-O 3.31Å; G277-C286 PolarHBondContact N-O 3.26Å; G277-C286 PolarHBondContact O-N 3Å; G277-C286 PolarHBondContact O-SG 2.91Å; P279-C286 WeakPolarHBondContact CD-SG 3.32Å; P279-C286 HydrophobicContact CG-CB 4.46Å; P279-C286 VanDerWaalsContact CG-SG 3.57Å; C286-S300 PolarHBondContact SG-OG 3.03Å; C286-K301 CarbonylContact C-O 3.57Å; C286-K301 WeakPolarHBondContact CA-O 3.24Å; C286-K301 WeakPolarHBondContact CB-O 3.49Å |
| 287 | L | 89.2 | Confident | 79.9 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 115.3 | 161.5 | 176.2 | 64.8 | 0 | 0 | 0 | 107.3 | L4 A274 L276 S300 K301 L303 L311 L318 M320 I329 | L4-L287 HydrophobicContact CD1-CD2 4.17Å; L4-L287 HydrophobicContact CD1-CG 4.25Å; L4-L287 HydrophobicContact CD2-CD2 4.21Å; A274-L287 HydrophobicContact CB-CD1 4.26Å; L276-L287 HydrophobicContact CD1-CB 4.33Å; L287-S300 CarbonylContact O-C 3.54Å; L287-S300 WeakPolarHBondContact O-CA 3.42Å; L287-K301 PolarHBondContact N-O 3.22Å; L287-K301 PolarHBondContact O-N 3.32Å; L287-L303 HydrophobicContact CB-CD1 3.97Å; L287-L311 HydrophobicContact CD1-CD1 4.25Å; L287-L311 HydrophobicContact CD1-CD2 3.95Å; L287-L318 HydrophobicContact CD2-CD1 4.06Å; L287-M320 HydrophobicContact CD2-SD 4.45Å; L287-I329 HydrophobicContact CD2-CD1 3.7Å |
| 288 | S | 90.1 | Very high | 79.9 | Confident | 4 Ų | 4 | 53 Ų | 53 | 3% | 0.028 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 137.8 | -177.3 | 59.4 | 0 | 0 | 0 | 0 | 111.1 | A274 V275 W290 T299 | A274-S288 CarbonylContact C-O 3.59Å; A274-S288 WeakPolarHBondContact CA-O 3.39Å; V275-S288 PolarHBondContact N-O 3.44Å; V275-S288 PolarHBondContact O-N 3.13Å; V275-S288 PolarHBondContact O-OG 3.11Å; V275-S288 VanDerWaalsContact O-OG 3.08Å; S288-W290 PolarHBondContact OG-NE1 3.36Å; S288-T299 WeakPolarHBondContact CA-O 3.2Å |
| 289 | V | 91.5 | Very high | 80.4 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 121.6 | 175 | -177.2 | 0 | 0 | 0 | 0 | 109 | A2 L4 L268 H272 I273 Q298 T299 | A2-V289 HydrophobicContact CB-CG1 3.83Å; L4-V289 HydrophobicContact CD1-CG2 4.45Å; L4-V289 HydrophobicContact CD2-CG2 3.92Å; L4-V289 HydrophobicContact CG-CG2 4.21Å; L268-V289 HydrophobicContact CD1-CG1 3.77Å; L268-V289 HydrophobicContact CD1-CG2 4.16Å; H272-V289 HydrophobicContact CB-CG1 4.41Å; I273-V289 CarbonylContact O-C 3.51Å; I273-V289 WeakPolarHBondContact O-CA 3.43Å; V289-Q298 PolarHBondContact O-N 3.06Å; V289-T299 HydrophobicContact CB-CG2 3.79Å; V289-T299 HydrophobicContact CG2-CG2 3.93Å; V289-T299 PolarHBondContact N-O 3.46Å; V289-T299 PolarHBondContact O-N 3.33Å |
| 290 | W | 90.6 | Very high | 81.2 | Confident | 39 Ų | 39 | 55.2 Ų | 55.2 | 15% | 0.148 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 139.6 | -176.5 | -66.3 | 79 | 0 | 0 | 0 | 110.6 | L251 V254 H272 I273 S288 L297 | L251-W290 HydrophobicContact CD1-CB 3.95Å; L251-W290 HydrophobicContact CD1-CD2 4.47Å; L251-W290 HydrophobicContact CD1-CE3 4.43Å; L251-W290 HydrophobicContact CD1-CG 4.29Å; V254-W290 HydrophobicContact CG1-CD2 4.39Å; V254-W290 HydrophobicContact CG1-CZ2 3.98Å; H272-W290 VanDerWaalsContact CA-O 3.28Å; H272-W290 WeakPolarHBondContact CA-O 3.47Å; I273-W290 HydrophobicContact CD1-CB 4.34Å; I273-W290 HydrophobicContact CG1-CB 3.81Å; I273-W290 PolarHBondContact N-O 3.49Å; I273-W290 PolarHBondContact O-N 3.08Å; S288-W290 PolarHBondContact OG-NE1 3.36Å; W290-L297 HydrophobicContact CD2-CB 4.22Å; W290-L297 HydrophobicContact CD2-CD1 4.05Å; W290-L297 HydrophobicContact CE3-CB 3.99Å; W290-L297 HydrophobicContact CG-CD1 4.39Å; W290-L297 HydrophobicContact CH2-CB 3.97Å; W290-L297 HydrophobicContact CZ2-CB 4.18Å; W290-L297 HydrophobicContact CZ2-CD1 3.95Å; W290-L297 HydrophobicContact CZ2-CG 4.47Å; W290-L297 HydrophobicContact CZ3-CB 3.87Å |
| 291 | N | 89.8 | Confident | 82.4 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 116.5 | 167.3 | -170.7 | -75.7 | 0 | 0 | 0 | 109.6 | D271 H272 K293 F294 Q295 T296 Q298 S336 | D271-N291 CarbonylContact O-C 3.5Å; D271-N291 WeakPolarHBondContact O-CA 3.4Å; H272-N291 PolarHBondContact NE2-ND2 2.9Å; N291-K293 WeakPolarHBondContact OD1-CB 3.44Å; N291-K293 PolarHBondContact OD1-N 3.39Å; N291-K293 VanDerWaalsContact OD1-N 3.1Å; N291-F294 WeakPolarHBondContact OD1-CD2 3.29Å; N291-F294 PolarHBondContact OD1-N 2.9Å; N291-Q295 CarbonylContact O-C 3.56Å; N291-Q295 WeakPolarHBondContact O-CA 3.36Å; N291-Q295 PolarHBondContact O-N 3.44Å; N291-T296 PolarHBondContact N-O 3.39Å; N291-T296 PolarHBondContact O-N 3.17Å; N291-T296 VanDerWaalsContact O-N 3.13Å; N291-Q298 HydrophobicContact CB-CG 4.05Å; N291-Q298 PolarHBondContact ND2-NE2 2.92Å; N291-Q298 VanDerWaalsContact ND2-NE2 3.19Å; N291-S336 VanDerWaalsContact ND2-CB 3.33Å; N291-S336 WeakPolarHBondContact ND2-CB 3.32Å; N291-S336 PolarHBondContact ND2-OG 3.41Å |
| 292 | I | 88.9 | Confident | 83.9 | Confident | 19 Ų | 19 | 51.1 Ų | 51.1 | 10% | 0.097 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -29.2 | -177.2 | 73.4 | -170 | 0 | 0 | 0 | 112.1 | M219 L250 L251 Q270 D271 I273 | M219-I292 HydrophobicContact CE-CD1 4.46Å; L250-I292 HydrophobicContact CD1-CB 4.22Å; L250-I292 HydrophobicContact CD2-CB 3.97Å; L250-I292 HydrophobicContact CD2-CD1 4.42Å; L250-I292 HydrophobicContact CD2-CG2 3.84Å; L250-I292 HydrophobicContact CG-CB 4.18Å; L250-I292 HydrophobicContact CG-CG2 4.44Å; L251-I292 HydrophobicContact CD1-CG2 4.39Å; Q270-I292 WeakPolarHBondContact O-CD1 3.17Å; D271-I292 WeakPolarHBondContact O-CG1 3.49Å; D271-I292 PolarHBondContact O-N 3.36Å; I273-I292 HydrophobicContact CB-CG2 4.31Å; I273-I292 HydrophobicContact CD1-CG2 3.82Å; I273-I292 HydrophobicContact CG1-CG2 3.8Å; I273-I292 HydrophobicContact CG2-CG2 3.66Å |
| 293 | K | 87.4 | Confident | 85 | Confident | 125 Ų | 125 | 49.7 Ų | 49.7 | 54% | 0.543 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -40.9 | -178.8 | -175.3 | 177.5 | -173.7 | 172.1 | 0 | 112.6 | N291 | N291-K293 WeakPolarHBondContact OD1-CB 3.44Å; N291-K293 PolarHBondContact OD1-N 3.39Å; N291-K293 VanDerWaalsContact OD1-N 3.1Å |
| 294 | F | 85.8 | Confident | 85.6 | Confident | 64 Ų | 64 | 48.3 Ų | 48.3 | 28% | 0.281 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | -2 | 178.7 | -62.1 | -67.3 | 0 | 0 | 0 | 113.2 | N291 T296 L338 A341 | N291-F294 WeakPolarHBondContact OD1-CD2 3.29Å; N291-F294 PolarHBondContact OD1-N 2.9Å; F294-T296 VanDerWaalsContact C-N 3.28Å; F294-T296 HydrophobicContact CB-CG2 4.38Å; F294-T296 PolarHBondContact O-N 2.72Å; F294-L338 HydrophobicContact CD1-CD1 4.38Å; F294-L338 HydrophobicContact CE1-CB 4.31Å; F294-L338 HydrophobicContact CE1-CD1 4.07Å; F294-L338 HydrophobicContact CZ-CB 4.27Å; F294-A341 HydrophobicContact CB-CB 4.17Å; F294-A341 HydrophobicContact CD2-CB 3.98Å; F294-A341 HydrophobicContact CG-CB 4Å |
| 295 | Q | 88.7 | Confident | 85.3 | Confident | 126 Ų | 126 | 50.3 Ų | 50.3 | 59% | 0.589 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 42.8 | -177.4 | -54.5 | -177.3 | 2.9 | 0 | 0 | 113.3 | L250 L251 N291 | L250-Q295 PolarHBondContact O-NE2 3.47Å; L251-Q295 HydrophobicContact CD2-CB 3.66Å; L251-Q295 HydrophobicContact CD2-CG 3.77Å; N291-Q295 CarbonylContact O-C 3.56Å; N291-Q295 WeakPolarHBondContact O-CA 3.36Å; N291-Q295 PolarHBondContact O-N 3.44Å |
| 296 | T | 87.1 | Confident | 84.7 | Confident | 44 Ų | 44 | 50.2 Ų | 50.2 | 27% | 0.27 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 138.2 | -174.9 | 43.4 | 0 | 0 | 0 | 0 | 111.3 | N291 F294 Q298 | N291-T296 PolarHBondContact N-O 3.39Å; N291-T296 PolarHBondContact O-N 3.17Å; N291-T296 VanDerWaalsContact O-N 3.13Å; F294-T296 VanDerWaalsContact C-N 3.28Å; F294-T296 HydrophobicContact CB-CG2 4.38Å; F294-T296 PolarHBondContact O-N 2.72Å; T296-Q298 PolarHBondContact O-N 2.98Å |
| 297 | L | 87.3 | Confident | 84.1 | Confident | 86 Ų | 86 | 50.9 Ų | 50.9 | 45% | 0.45 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 122.2 | 166.6 | 177.1 | 66.8 | 0 | 0 | 0 | 108.4 | W290 T299 | W290-L297 HydrophobicContact CD2-CB 4.22Å; W290-L297 HydrophobicContact CD2-CD1 4.05Å; W290-L297 HydrophobicContact CE3-CB 3.99Å; W290-L297 HydrophobicContact CG-CD1 4.39Å; W290-L297 HydrophobicContact CH2-CB 3.97Å; W290-L297 HydrophobicContact CZ2-CB 4.18Å; W290-L297 HydrophobicContact CZ2-CD1 3.95Å; W290-L297 HydrophobicContact CZ2-CG 4.47Å; W290-L297 HydrophobicContact CZ3-CB 3.87Å; L297-T299 WeakPolarHBondContact CD1-O 3.48Å |
| 298 | Q | 84.5 | Confident | 83.2 | Confident | 32 Ų | 32 | 51.7 Ų | 51.7 | 15% | 0.15 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | -44 | -179.9 | -69.7 | -171 | -15.3 | 0 | 0 | 112.1 | M1 A2 H272 V289 N291 T296 | M1-Q298 HydrophobicContact CG-CB 4.28Å; M1-Q298 HydrophobicContact CG-CG 4.41Å; A2-Q298 HydrophobicContact CB-CB 4.49Å; H272-Q298 PolarHBondContact CD2-OE1 3.31Å; H272-Q298 PolarHBondContact NE2-NE2 2.79Å; H272-Q298 PolarHBondContact NE2-OE1 3.29Å; V289-Q298 PolarHBondContact O-N 3.06Å; N291-Q298 HydrophobicContact CB-CG 4.05Å; N291-Q298 PolarHBondContact ND2-NE2 2.92Å; N291-Q298 VanDerWaalsContact ND2-NE2 3.19Å; T296-Q298 PolarHBondContact O-N 2.98Å |
| 299 | T | 87.4 | Confident | 82.5 | Confident | 35 Ų | 35 | 52 Ų | 52 | 22% | 0.215 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 152 | 177.4 | -176.9 | 0 | 0 | 0 | 0 | 110.7 | L4 S288 V289 L297 | L4-T299 HydrophobicContact CD1-CG2 4.15Å; L4-T299 HydrophobicContact CG-CG2 3.8Å; S288-T299 WeakPolarHBondContact CA-O 3.2Å; V289-T299 HydrophobicContact CB-CG2 3.79Å; V289-T299 HydrophobicContact CG2-CG2 3.93Å; V289-T299 PolarHBondContact N-O 3.46Å; V289-T299 PolarHBondContact O-N 3.33Å; L297-T299 WeakPolarHBondContact CD1-O 3.48Å |
| 300 | S | 87.5 | Confident | 82.1 | Confident | 56 Ų | 56 | 54.6 Ų | 54.6 | 39% | 0.392 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 139.1 | 176.9 | -176.2 | 0 | 0 | 0 | 0 | 109.8 | C286 L287 | C286-S300 PolarHBondContact SG-OG 3.03Å; L287-S300 CarbonylContact O-C 3.54Å; L287-S300 WeakPolarHBondContact O-CA 3.42Å |
| 301 | K | 86.3 | Confident | 82 | Confident | 49 Ų | 49 | 53.6 Ų | 53.6 | 21% | 0.213 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 122.5 | 178.2 | -172.3 | 175.5 | -169 | 176.6 | 0 | 109.8 | L4 E7 C286 L287 I329 | L4-K301 HydrophobicContact CD1-CB 3.86Å; E7-K301 VanDerWaalsContact CB-NZ 3.28Å; E7-K301 IonicContact OE1-NZ 2.84Å; E7-K301 VanDerWaalsContact OE2-CE 3.25Å; E7-K301 WeakPolarHBondContact OE2-CE 3.39Å; E7-K301 IonicContact OE2-NZ 3.7Å; E7-K301 PolarHBondContact OE2-NZ 3.46Å; C286-K301 CarbonylContact C-O 3.57Å; C286-K301 WeakPolarHBondContact CA-O 3.24Å; C286-K301 WeakPolarHBondContact CB-O 3.49Å; L287-K301 PolarHBondContact N-O 3.22Å; L287-K301 PolarHBondContact O-N 3.32Å; K301-I329 HydrophobicContact CD-CD1 4.33Å |
| 302 | E | 86.2 | Confident | 82 | Confident | 115 Ų | 115 | 54.9 Ų | 54.9 | 54% | 0.537 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 138.4 | 175.7 | -67.1 | -171.1 | -172.7 | 0 | 0 | 111.6 | K284 P304 | K284-E302 IonicContact NZ-OE2 3.33Å; E302-P304 WeakPolarHBondContact O-CD 3.26Å |
| 303 | L | 80.2 | Confident | 82 | Confident | 3 Ų | 3 | 57.5 Ų | 57.5 | 2% | 0.016 | 30% | 0.295 | C | S | . | . | trans | -121 | 88.9 | -177.2 | -64.9 | 164.3 | 0 | 0 | 0 | 109.2 | L276 E285 L287 Q305 T307 M320 | L276-L303 HydrophobicContact CD1-CD1 3.48Å; L276-L303 VanDerWaalsContact CD1-CD1 3.48Å; E285-L303 HydrophobicContact CB-CB 4.47Å; E285-L303 PolarHBondContact O-N 2.92Å; L287-L303 HydrophobicContact CB-CD1 3.97Å; L303-Q305 VanDerWaalsContact C-N 3.33Å; L303-Q305 PolarHBondContact O-N 3.47Å; L303-T307 HydrophobicContact CB-CG2 4.27Å; L303-T307 HydrophobicContact CD1-CG2 3.9Å; L303-M320 HydrophobicContact CD1-CE 3.43Å; L303-M320 VanDerWaalsContact CD1-CE 3.43Å; L303-M320 HydrophobicContact CD1-SD 4.05Å; L303-M320 HydrophobicContact CD2-CE 4.02Å; L303-M320 HydrophobicContact CD2-SD 4.31Å; L303-M320 HydrophobicContact CG-CE 4.3Å | ||
| 304 | P | 70 | Confident | 81.8 | Confident | 94 Ų | 94 | 53.8 Ų | 53.8 | 61% | 0.61 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -19.9 | -167.6 | 26.1 | -34.3 | 0 | 0 | 0 | 114.8 | E302 | E302-P304 WeakPolarHBondContact O-CD 3.26Š|
| 305 | Q | 66.7 | Low | 81.7 | Confident | 141 Ų | 141 | 53.7 Ų | 53.7 | 66% | 0.659 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | 4.7 | -175.5 | -57.2 | -174.8 | 3.2 | 0 | 0 | 113.9 | L303 | L303-Q305 VanDerWaalsContact C-N 3.33Å; L303-Q305 PolarHBondContact O-N 3.47Å |
| 306 | G | 66.7 | Low | 81.5 | Confident | 19 Ų | 19 | 54 Ų | 54 | 20% | 0.196 | 30% | 0.296 | C | S | . | . | trans | 68.7 | 160.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | G323 | G306-G323 PolarHBondContact O-N 2.9Š| ||
| 307 | T | 74.3 | Confident | 81.7 | Confident | 17 Ų | 17 | 53.4 Ų | 53.4 | 10% | 0.104 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 166.4 | -174.3 | 68.8 | 0 | 0 | 0 | 0 | 112.3 | L276 E285 L303 G309 M320 L321 | L276-T307 HydrophobicContact CD1-CG2 4.18Å; E285-T307 VanDerWaalsContact OE2-CB 3.23Å; E285-T307 WeakPolarHBondContact OE2-CB 3.48Å; E285-T307 VanDerWaalsContact OE2-CG2 3.27Å; E285-T307 WeakPolarHBondContact OE2-CG2 3.1Å; E285-T307 PolarHBondContact OE2-N 3.43Å; E285-T307 PolarHBondContact OE2-OG1 2.86Å; L303-T307 HydrophobicContact CB-CG2 4.27Å; L303-T307 HydrophobicContact CD1-CG2 3.9Å; T307-G309 PolarHBondContact O-N 3.42Å; T307-G309 PolarHBondContact OG1-N 2.88Å; T307-M320 HydrophobicContact CG2-CE 3.26Å; T307-L321 WeakPolarHBondContact CA-O 3.46Å |
| 308 | S | 71.1 | Confident | 81.9 | Confident | 16 Ų | 16 | 49.3 Ų | 49.3 | 11% | 0.112 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | -5.7 | 174.2 | 63.7 | 0 | 0 | 0 | 0 | 113.9 | Q310 L321 | S308-Q310 VanDerWaalsContact C-N 3.27Å; S308-Q310 PolarHBondContact O-N 3.48Å; S308-L321 PolarHBondContact N-O 2.91Å; S308-L321 WeakPolarHBondContact OG-CB 3.38Å |
| 309 | G | 75.3 | Confident | 82.1 | Confident | 11 Ų | 11 | 47.8 Ų | 47.8 | 11% | 0.113 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 70.1 | 21.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | G262 T307 | G262-G309 VanDerWaalsContact C-CA 3.46Å; G262-G309 WeakPolarHBondContact O-CA 3.05Å; T307-G309 PolarHBondContact O-N 3.42Å; T307-G309 PolarHBondContact OG1-N 2.88Å |
| 310 | Q | 82.8 | Confident | 82.1 | Confident | 56 Ų | 56 | 46.1 Ų | 46.1 | 26% | 0.262 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 137.2 | 175.4 | -65.2 | 172.9 | -24.9 | 0 | 0 | 110.1 | P19 L22 S308 W312 | P19-Q310 PolarHBondContact O-NE2 3.33Å; L22-Q310 PolarHBondContact O-OE1 2.75Å; S308-Q310 VanDerWaalsContact C-N 3.27Å; S308-Q310 PolarHBondContact O-N 3.48Å; Q310-W312 HydrophobicContact CB-CH2 3.47Å; Q310-W312 VanDerWaalsContact CB-CH2 3.47Å; Q310-W312 HydrophobicContact CB-CZ2 3.85Å; Q310-W312 HydrophobicContact CB-CZ3 3.92Å; Q310-W312 HydrophobicContact CG-CH2 4.3Å; Q310-W312 HydrophobicContact CG-CZ2 4.44Å |
| 311 | L | 88.4 | Confident | 81.8 | Confident | 17 Ų | 17 | 43.6 Ų | 43.6 | 9% | 0.089 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 127.3 | -179.5 | -174.8 | 67.6 | 0 | 0 | 0 | 108.6 | A264 A274 L287 L318 M320 | A264-L311 HydrophobicContact CB-CB 3.69Å; A274-L311 HydrophobicContact CB-CD2 3.9Å; L287-L311 HydrophobicContact CD1-CD1 4.25Å; L287-L311 HydrophobicContact CD1-CD2 3.95Å; L311-L318 HydrophobicContact CD1-CB 4.27Å; L311-L318 HydrophobicContact CD1-CD2 4.14Å; L311-L318 HydrophobicContact CD2-CD2 4.33Å; L311-L318 HydrophobicContact CG-CD2 4.23Å; L311-M320 HydrophobicContact CD1-CB 4.13Å |
| 312 | W | 89.1 | Confident | 81.3 | Confident | 27 Ų | 27 | 42.2 Ų | 42.2 | 10% | 0.102 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 152.4 | 171.9 | -54.9 | -95.9 | 0 | 0 | 0 | 109.9 | L22 V25 Q310 Y314 L318 F319 | L22-W312 HydrophobicContact CB-CH2 4.25Å; L22-W312 HydrophobicContact CD2-CE3 4.49Å; L22-W312 HydrophobicContact CD2-CH2 3.46Å; L22-W312 VanDerWaalsContact CD2-CH2 3.46Å; L22-W312 HydrophobicContact CD2-CZ2 4.28Å; L22-W312 HydrophobicContact CD2-CZ3 3.59Å; L22-W312 HydrophobicContact CG-CH2 3.95Å; L22-W312 HydrophobicContact CG-CZ2 4.44Å; V25-W312 HydrophobicContact CB-CB 4.29Å; V25-W312 HydrophobicContact CB-CD2 4.31Å; V25-W312 HydrophobicContact CB-CG 4.13Å; V25-W312 HydrophobicContact CG2-CD2 4.09Å; V25-W312 HydrophobicContact CG2-CE3 4Å; V25-W312 HydrophobicContact CG2-CG 4.41Å; Q310-W312 HydrophobicContact CB-CH2 3.47Å; Q310-W312 VanDerWaalsContact CB-CH2 3.47Å; Q310-W312 HydrophobicContact CB-CZ2 3.85Å; Q310-W312 HydrophobicContact CB-CZ3 3.92Å; Q310-W312 HydrophobicContact CG-CH2 4.3Å; Q310-W312 HydrophobicContact CG-CZ2 4.44Å; W312-Y314 HydrophobicContact CB-CE2 4.13Å; W312-L318 WeakPolarHBondContact O-CA 3.38Å; W312-F319 HydrophobicContact CB-CB 4.22Å; W312-F319 HydrophobicContact CE3-CB 4.32Å; W312-F319 PolarHBondContact N-O 3.42Å; W312-F319 PolarHBondContact O-N 2.98Å |
| 313 | Y | 88.5 | Confident | 80.6 | Confident | 74 Ų | 74 | 38.3 Ų | 38.3 | 29% | 0.29 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 135.2 | 177.7 | 81.5 | -72.8 | 0 | 0 | 0 | 110.2 | K157 T266 N317 | K157-Y313 PolarHBondContact NZ-OH 3.48Å; T266-Y313 HydrophobicContact CG2-CD1 3.11Å; T266-Y313 HydrophobicContact CG2-CD2 4.46Å; T266-Y313 HydrophobicContact CG2-CE1 3.73Å; T266-Y313 HydrophobicContact CG2-CG 3.55Å; Y313-N317 WeakPolarHBondContact CA-O 3.44Å |
| 314 | Y | 84.9 | Confident | 80.2 | Confident | 48 Ų | 48 | 44.1 Ų | 44.1 | 19% | 0.188 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 125.8 | 172.9 | -66.2 | -85.4 | 0 | 0 | 0 | 109.7 | V25 E26 Q27 F34 W312 E316 N317 F319 | V25-Y314 HydrophobicContact CG1-CE2 4.46Å; V25-Y314 WeakPolarHBondContact O-CE2 3.47Å; V25-Y314 PolarHBondContact O-OH 3.35Å; E26-Y314 PolarHBondContact OE2-OH 3.19Å; Q27-Y314 HydrophobicContact CB-CD1 3.96Å; Q27-Y314 HydrophobicContact CB-CE1 4.24Å; F34-Y314 HydrophobicContact CD1-CD2 4.36Å; F34-Y314 HydrophobicContact CD1-CG 4.41Å; F34-Y314 VanDerWaalsContact CE1-CB 3.43Å; F34-Y314 HydrophobicContact CE1-CD2 4.2Å; F34-Y314 AromaticContact CE1-CG 3.87Å; F34-Y314 HydrophobicContact CE1-CG 3.87Å; W312-Y314 HydrophobicContact CB-CE2 4.13Å; Y314-E316 PolarHBondContact O-N 3.46Å; Y314-N317 PolarHBondContact N-O 3.39Å; Y314-N317 PolarHBondContact O-N 3.05Å; Y314-N317 VanDerWaalsContact O-N 3.15Å; Y314-F319 HydrophobicContact CD2-CD2 4.29Å; Y314-F319 HydrophobicContact CD2-CE2 4.18Å |
| 315 | G | 82.1 | Confident | 80.5 | Confident | 61 Ų | 61 | 41.6 Ų | 41.6 | 63% | 0.629 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | -127.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y331 | G315-Y331 PolarHBondContact O-OH 2.95Å; G315-Y331 VanDerWaalsContact O-OH 3.13Å |
| 316 | E | 86.1 | Confident | 81.4 | Confident | 132 Ų | 132 | 35.1 Ų | 35.1 | 62% | 0.617 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | 18.7 | 179.7 | -62.5 | -176.5 | 163.1 | 0 | 0 | 112.5 | Y314 P330 Y331 | Y314-E316 PolarHBondContact O-N 3.46Å; E316-P330 CarbonylContact O-C 3.54Å; E316-P330 VanDerWaalsContact O-CA 3.27Å; E316-P330 WeakPolarHBondContact O-CA 3.43Å; E316-Y331 WeakPolarHBondContact O-CD1 3.34Å; E316-Y331 PolarHBondContact O-N 3.25Å |
| 317 | N | 90.6 | Very high | 82.4 | Confident | 32 Ų | 32 | 34.3 Ų | 34.3 | 17% | 0.171 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 132.7 | -175.7 | -67.1 | -45.2 | 0 | 0 | 0 | 112 | Y313 Y314 F319 V328 | Y313-N317 WeakPolarHBondContact CA-O 3.44Å; Y314-N317 PolarHBondContact N-O 3.39Å; Y314-N317 PolarHBondContact O-N 3.05Å; Y314-N317 VanDerWaalsContact O-N 3.15Å; N317-F319 HydrophobicContact CB-CE2 3.79Å; N317-F319 HydrophobicContact CB-CZ 4.06Å; N317-V328 HydrophobicContact CB-CG1 3.96Å |
| 318 | L | 91.6 | Very high | 83.2 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 134.8 | 167.8 | -70 | 167 | 0 | 0 | 0 | 110.1 | L4 L268 A274 L287 L311 W312 V328 I329 Y331 | L4-L318 HydrophobicContact CD2-CD1 4.13Å; L268-L318 HydrophobicContact CD2-CD1 4.34Å; L268-L318 HydrophobicContact CD2-CD2 3.74Å; L268-L318 HydrophobicContact CD2-CG 4.4Å; A274-L318 HydrophobicContact CB-CD1 4.38Å; L287-L318 HydrophobicContact CD2-CD1 4.06Å; L311-L318 HydrophobicContact CD1-CB 4.27Å; L311-L318 HydrophobicContact CD1-CD2 4.14Å; L311-L318 HydrophobicContact CD2-CD2 4.33Å; L311-L318 HydrophobicContact CG-CD2 4.23Å; W312-L318 WeakPolarHBondContact O-CA 3.38Å; L318-V328 CarbonylContact O-C 3.58Å; L318-V328 VanDerWaalsContact O-CA 3.31Å; L318-V328 WeakPolarHBondContact O-CA 3.41Å; L318-I329 HydrophobicContact CB-CB 4.4Å; L318-I329 WeakPolarHBondContact CB-O 3.28Å; L318-I329 PolarHBondContact N-O 2.87Å; L318-I329 PolarHBondContact O-N 3.37Å; L318-Y331 HydrophobicContact CD1-CD1 3.97Å; L318-Y331 HydrophobicContact CD1-CG 4.37Å; L318-Y331 HydrophobicContact CD2-CE1 4.36Å; L318-Y331 HydrophobicContact CG-CD1 3.67Å; L318-Y331 HydrophobicContact CG-CE1 3.96Å |
| 319 | F | 89.3 | Confident | 84.1 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 134 | 178.3 | -59 | -99.6 | 0 | 0 | 0 | 109.3 | L10 V25 F34 V48 W312 Y314 N317 L326 T327 V328 | L10-F319 HydrophobicContact CD1-CE1 4.33Å; V25-F319 HydrophobicContact CG1-CD1 4.06Å; V25-F319 HydrophobicContact CG1-CD2 4.37Å; V25-F319 HydrophobicContact CG1-CE1 4.31Å; V25-F319 HydrophobicContact CG1-CG 4.1Å; V25-F319 HydrophobicContact CG2-CB 4.2Å; F34-F319 HydrophobicContact CD1-CE2 4.25Å; F34-F319 AromaticContact CD1-CZ 3.87Å; F34-F319 HydrophobicContact CD1-CZ 3.87Å; F34-F319 HydrophobicContact CD2-CE1 4.46Å; F34-F319 AromaticContact CD2-CZ 3.94Å; F34-F319 HydrophobicContact CD2-CZ 3.94Å; F34-F319 HydrophobicContact CE1-CE2 4.11Å; F34-F319 AromaticContact CE1-CZ 3.95Å; F34-F319 HydrophobicContact CE1-CZ 3.95Å; F34-F319 AromaticContact CE2-CZ 3.96Å; F34-F319 HydrophobicContact CE2-CZ 3.96Å; F34-F319 HydrophobicContact CG-CE1 4.31Å; F34-F319 AromaticContact CG-CZ 3.86Å; F34-F319 HydrophobicContact CG-CZ 3.86Å; F34-F319 HydrophobicContact CZ-CE2 4.34Å; F34-F319 AromaticContact CZ-CZ 3.96Å; F34-F319 HydrophobicContact CZ-CZ 3.96Å; V48-F319 HydrophobicContact CG2-CE1 3.86Å; V48-F319 HydrophobicContact CG2-CZ 4.09Å; W312-F319 HydrophobicContact CB-CB 4.22Å; W312-F319 HydrophobicContact CE3-CB 4.32Å; W312-F319 PolarHBondContact N-O 3.42Å; W312-F319 PolarHBondContact O-N 2.98Å; Y314-F319 HydrophobicContact CD2-CD2 4.29Å; Y314-F319 HydrophobicContact CD2-CE2 4.18Å; N317-F319 HydrophobicContact CB-CE2 3.79Å; N317-F319 HydrophobicContact CB-CZ 4.06Å; F319-L326 HydrophobicContact CB-CD1 4.34Å; F319-T327 WeakPolarHBondContact CA-O 3.44Å; F319-V328 HydrophobicContact CD1-CG2 3.65Å; F319-V328 HydrophobicContact CE1-CG1 4.21Å; F319-V328 HydrophobicContact CE1-CG2 3.64Å; F319-V328 HydrophobicContact CZ-CG1 4.46Å |
| 320 | M | 87.4 | Confident | 84.8 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 151.1 | 178.9 | 55.5 | 174.2 | -63.3 | 0 | 0 | 111 | L276 L287 L303 T307 L311 T327 I329 | L276-M320 HydrophobicContact CD1-CE 4.1Å; L287-M320 HydrophobicContact CD2-SD 4.45Å; L303-M320 HydrophobicContact CD1-CE 3.43Å; L303-M320 VanDerWaalsContact CD1-CE 3.43Å; L303-M320 HydrophobicContact CD1-SD 4.05Å; L303-M320 HydrophobicContact CD2-CE 4.02Å; L303-M320 HydrophobicContact CD2-SD 4.31Å; L303-M320 HydrophobicContact CG-CE 4.3Å; T307-M320 HydrophobicContact CG2-CE 3.26Å; L311-M320 HydrophobicContact CD1-CB 4.13Å; M320-T327 PolarHBondContact N-O 2.93Å; M320-T327 PolarHBondContact O-N 3.48Å; M320-I329 HydrophobicContact SD-CD1 3.75Å |
| 321 | L | 80.9 | Confident | 85.2 | Confident | 3 Ų | 3 | 31.1 Ų | 31.1 | 2% | 0.016 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 115.3 | 172.9 | -162.9 | 75.6 | 0 | 0 | 0 | 109.3 | L15 T307 S308 | L15-L321 HydrophobicContact CB-CD1 4.32Å; L15-L321 HydrophobicContact CD1-CD1 3.52Å; T307-L321 WeakPolarHBondContact CA-O 3.46Å; S308-L321 PolarHBondContact N-O 2.91Å; S308-L321 WeakPolarHBondContact OG-CB 3.38Å |
| 322 | H | 74.8 | Confident | 85.1 | Confident | 20 Ų | 20 | 35.6 Ų | 35.6 | 9% | 0.093 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 107.1 | 174.4 | -172.1 | -116.3 | 0 | 0 | 0 | 108.4 | K324 S325 T327 | H322-K324 PolarHBondContact O-N 3.35Å; H322-S325 PolarHBondContact N-O 3.39Å; H322-S325 PolarHBondContact O-N 3Å; H322-S325 VanDerWaalsContact O-N 3.13Å; H322-T327 WeakPolarHBondContact CB-OG1 3.31Å |
| 323 | G | 71.5 | Confident | 84.9 | Confident | 34 Ų | 34 | 36.1 Ų | 36.1 | 35% | 0.351 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.9 | -106.8 | -169.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | G306 | G306-G323 PolarHBondContact O-N 2.9Š|
| 324 | K | 72.3 | Confident | 84.5 | Confident | 125 Ų | 125 | 37 Ų | 37 | 54% | 0.543 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | 2.2 | -179.9 | -64.1 | -175.4 | -179.7 | -178.8 | 0 | 113.6 | H322 | H322-K324 PolarHBondContact O-N 3.35Š|
| 325 | S | 77 | Confident | 84.3 | Confident | 41 Ų | 41 | 41.1 Ų | 41.1 | 29% | 0.287 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 143.7 | -174.3 | -59.4 | 0 | 0 | 0 | 0 | 109.9 | H322 T327 | H322-S325 PolarHBondContact N-O 3.39Å; H322-S325 PolarHBondContact O-N 3Å; H322-S325 VanDerWaalsContact O-N 3.13Å; S325-T327 PolarHBondContact O-N 3.27Å |
| 326 | L | 85.5 | Confident | 84.2 | Confident | 5 Ų | 5 | 38.8 Ų | 38.8 | 3% | 0.026 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 114.3 | 171.2 | -177.7 | 63.8 | 0 | 0 | 0 | 108.5 | T9 L10 L15 L22 V25 V36 F319 | T9-L326 WeakPolarHBondContact CA-O 3.31Å; L10-L326 HydrophobicContact CD1-CD2 3.82Å; L10-L326 HydrophobicContact CD1-CG 4.3Å; L10-L326 PolarHBondContact N-O 2.68Å; L15-L326 HydrophobicContact CD1-CB 4.12Å; L22-L326 HydrophobicContact CD2-CD1 4Å; V25-L326 HydrophobicContact CG2-CD1 4.29Å; V25-L326 HydrophobicContact CG2-CD2 4.29Å; V36-L326 HydrophobicContact CB-CD2 4.39Å; V36-L326 HydrophobicContact CG1-CD2 3.89Å; V36-L326 HydrophobicContact CG2-CD2 3.53Å; F319-L326 HydrophobicContact CB-CD1 4.34Å |
| 327 | T | 87.9 | Confident | 83.9 | Confident | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.012 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 136.2 | 178.2 | -57.1 | 0 | 0 | 0 | 0 | 109.6 | E7 F319 M320 H322 S325 I329 | E7-T327 HydrophobicContact CB-CG2 3.78Å; E7-T327 HydrophobicContact CG-CG2 4.14Å; F319-T327 WeakPolarHBondContact CA-O 3.44Å; M320-T327 PolarHBondContact N-O 2.93Å; M320-T327 PolarHBondContact O-N 3.48Å; H322-T327 WeakPolarHBondContact CB-OG1 3.31Å; S325-T327 PolarHBondContact O-N 3.27Å; T327-I329 HydrophobicContact CG2-CD1 4.5Å; T327-I329 HydrophobicContact CG2-CG1 4.04Å |
| 328 | V | 89.8 | Confident | 83.3 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 129 | 172.7 | -173.5 | 0 | 0 | 0 | 0 | 108.4 | E7 F8 L10 V48 N317 L318 F319 | E7-V328 WeakPolarHBondContact CA-O 3.14Å; F8-V328 HydrophobicContact CD2-CB 4.17Å; F8-V328 HydrophobicContact CE1-CB 4.2Å; F8-V328 HydrophobicContact CE1-CG1 4.17Å; F8-V328 HydrophobicContact CE2-CB 3.69Å; F8-V328 HydrophobicContact CE2-CG1 4.12Å; F8-V328 HydrophobicContact CE2-CG2 4.01Å; F8-V328 HydrophobicContact CZ-CB 3.7Å; F8-V328 HydrophobicContact CZ-CG1 3.66Å; F8-V328 HydrophobicContact CZ-CG2 4.41Å; F8-V328 PolarHBondContact N-O 3.33Å; F8-V328 PolarHBondContact O-N 3.28Å; L10-V328 HydrophobicContact CD1-CG2 3.55Å; L10-V328 HydrophobicContact CD2-CG2 4.39Å; L10-V328 HydrophobicContact CG-CG2 3.7Å; V48-V328 HydrophobicContact CG1-CG1 4.07Å; N317-V328 HydrophobicContact CB-CG1 3.96Å; L318-V328 CarbonylContact O-C 3.58Å; L318-V328 VanDerWaalsContact O-CA 3.31Å; L318-V328 WeakPolarHBondContact O-CA 3.41Å; F319-V328 HydrophobicContact CD1-CG2 3.65Å; F319-V328 HydrophobicContact CE1-CG1 4.21Å; F319-V328 HydrophobicContact CE1-CG2 3.64Å; F319-V328 HydrophobicContact CZ-CG1 4.46Å |
| 329 | I | 90.8 | Very high | 82.4 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 104.7 | 178.5 | -52.6 | -178.6 | 0 | 0 | 0 | 107.4 | L4 E7 L287 K301 L318 M320 T327 | L4-I329 HydrophobicContact CB-CG2 4.14Å; L4-I329 HydrophobicContact CD2-CG2 3.97Å; E7-I329 HydrophobicContact CB-CG1 3.84Å; L287-I329 HydrophobicContact CD2-CD1 3.7Å; K301-I329 HydrophobicContact CD-CD1 4.33Å; L318-I329 HydrophobicContact CB-CB 4.4Å; L318-I329 WeakPolarHBondContact CB-O 3.28Å; L318-I329 PolarHBondContact N-O 2.87Å; L318-I329 PolarHBondContact O-N 3.37Å; M320-I329 HydrophobicContact SD-CD1 3.75Å; T327-I329 HydrophobicContact CG2-CD1 4.5Å; T327-I329 HydrophobicContact CG2-CG1 4.04Å |
| 330 | P | 89.9 | Confident | 81.4 | Confident | 17 Ų | 17 | 40.3 Ų | 40.3 | 11% | 0.11 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 145 | 170.7 | -15.5 | 29.5 | 0 | 0 | 0 | 110.1 | E5 E6 F8 E316 | E5-P330 HydrophobicContact CB-CB 4.08Å; E5-P330 HydrophobicContact CB-CG 4.45Å; E5-P330 HydrophobicContact CG-CB 4.38Å; E5-P330 PolarHBondContact N-O 3.49Å; E6-P330 WeakPolarHBondContact O-CD 3.39Å; F8-P330 HydrophobicContact CE1-CG 3.89Å; E316-P330 CarbonylContact O-C 3.54Å; E316-P330 VanDerWaalsContact O-CA 3.27Å; E316-P330 WeakPolarHBondContact O-CA 3.43Å |
| 331 | Y | 89.8 | Confident | 80.6 | Confident | 16 Ų | 16 | 41.9 Ų | 41.9 | 6% | 0.063 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 146 | 177.6 | 75.2 | -86.9 | 0 | 0 | 0 | 110.8 | A3 L268 G315 E316 L318 C333 | A3-Y331 WeakPolarHBondContact O-CA 3.32Å; L268-Y331 HydrophobicContact CB-CE2 3.87Å; L268-Y331 HydrophobicContact CD1-CD2 3.99Å; L268-Y331 HydrophobicContact CD1-CE2 3.94Å; L268-Y331 HydrophobicContact CD2-CE1 4.11Å; L268-Y331 HydrophobicContact CD2-CE2 4.1Å; L268-Y331 HydrophobicContact CG-CE2 4.19Å; G315-Y331 PolarHBondContact O-OH 2.95Å; G315-Y331 VanDerWaalsContact O-OH 3.13Å; E316-Y331 WeakPolarHBondContact O-CD1 3.34Å; E316-Y331 PolarHBondContact O-N 3.25Å; L318-Y331 HydrophobicContact CD1-CD1 3.97Å; L318-Y331 HydrophobicContact CD1-CG 4.37Å; L318-Y331 HydrophobicContact CD2-CE1 4.36Å; L318-Y331 HydrophobicContact CG-CD1 3.67Å; L318-Y331 HydrophobicContact CG-CE1 3.96Å; Y331-C333 VanDerWaalsContact CD2-SG 3.52Å; Y331-C333 HydrophobicContact CE2-CB 4.42Å; Y331-C333 VanDerWaalsContact CE2-SG 3.59Å |
| 332 | K | 87.4 | Confident | 80.3 | Confident | 110 Ų | 110 | 47 Ų | 47 | 48% | 0.478 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 126.8 | 171.7 | -74.9 | 176.4 | 174.9 | 150 | 0 | 108.8 | A2 A3 E5 | A2-K332 CarbonylContact C-O 3.3Å; A2-K332 WeakPolarHBondContact CA-O 3.36Å; A2-K332 WeakPolarHBondContact CB-O 3.31Å; A3-K332 PolarHBondContact N-O 3.06Å; A3-K332 PolarHBondContact O-N 2.76Å; E5-K332 VanDerWaalsContact OE1-CD 3.26Å; E5-K332 WeakPolarHBondContact OE1-CD 3.48Å; E5-K332 WeakPolarHBondContact OE1-CE 3.46Å; E5-K332 IonicContact OE1-NZ 3.29Å; E5-K332 PolarHBondContact OE1-NZ 3.46Å |
| 333 | C | 83.6 | Confident | 79.9 | Confident | 39 Ų | 39 | 48.7 Ų | 48.7 | 26% | 0.264 | 29% | 0.292 | S | S | . | . | trans | -112.7 | 106.5 | 172.6 | -75.9 | 0 | 0 | 0 | 0 | 109.2 | D269 Y331 | D269-C333 VanDerWaalsContact OD2-CB 3.28Å; D269-C333 WeakPolarHBondContact OD2-CB 3.27Å; Y331-C333 VanDerWaalsContact CD2-SG 3.52Å; Y331-C333 HydrophobicContact CE2-CB 4.42Å; Y331-C333 VanDerWaalsContact CE2-SG 3.59Å | ||
| 334 | E | 80.4 | Confident | 79.4 | Confident | 93 Ų | 93 | 54.9 Ų | 54.9 | 44% | 0.435 | 31% | 0.31 | S | S | . | . | trans | -80.8 | 155.9 | 170.2 | -65.1 | -176.5 | 169.3 | 0 | 0 | 111.1 | M1 H272 S336 | M1-E334 VanDerWaalsContact N-CD 3.33Å; M1-E334 PolarHBondContact N-OE2 3.36Å; H272-E334 PolarHBondContact CE1-O 3.49Å; E334-S336 PolarHBondContact O-N 3.22Å | ||
| 335 | V | 81 | Confident | 78.6 | Confident | 133 Ų | 133 | 52.1 Ų | 52.1 | 81% | 0.806 | 30% | 0.3 | S | S | * | . | trans | -54.7 | 129.2 | 174.6 | -176.8 | 0 | 0 | 0 | 0 | 110.6 | S337 | V335-S337 PolarHBondContact O-N 2.91Å; V335-S337 VanDerWaalsContact O-N 3.12Å | ||
| 336 | S | 80.1 | Confident | 77.2 | Confident | 12 Ų | 12 | 59.8 Ų | 59.8 | 8% | 0.084 | 33% | 0.329 | C | S | . | . | trans | -61.9 | 114.3 | -178 | -49.1 | 0 | 0 | 0 | 0 | 111.6 | D271 H272 N291 E334 | D271-S336 WeakPolarHBondContact CB-OG 3.38Å; D271-S336 VanDerWaalsContact CG-OG 3.25Å; D271-S336 VanDerWaalsContact OD2-CB 3.22Å; D271-S336 WeakPolarHBondContact OD2-CB 3.43Å; D271-S336 PolarHBondContact OD2-OG 2.91Å; H272-S336 PolarHBondContact CE1-OG 2.96Å; H272-S336 VanDerWaalsContact CE1-OG 3.25Å; N291-S336 VanDerWaalsContact ND2-CB 3.33Å; N291-S336 WeakPolarHBondContact ND2-CB 3.32Å; N291-S336 PolarHBondContact ND2-OG 3.41Å; E334-S336 PolarHBondContact O-N 3.22Å | ||
| 337 | S | 79.4 | Confident | 75.4 | Confident | 47 Ų | 47 | 64.8 Ų | 64.8 | 33% | 0.329 | 35% | 0.352 | S | S | . | . | trans | -121.3 | 149.5 | 173 | 71.9 | 0 | 0 | 0 | 0 | 111.2 | V335 A339 G340 A341 | V335-S337 PolarHBondContact O-N 2.91Å; V335-S337 VanDerWaalsContact O-N 3.12Å; S337-A339 PolarHBondContact O-N 2.77Å; S337-G340 PolarHBondContact O-N 3.3Å; S337-G340 VanDerWaalsContact O-N 3.13Å; S337-G340 PolarHBondContact OG-N 3.14Å; S337-G340 VanDerWaalsContact OG-N 3.07Å; S337-A341 PolarHBondContact O-N 3.46Å | ||
| 338 | L | 78.3 | Confident | 73.2 | Confident | 104 Ų | 104 | 68.2 Ų | 68.2 | 55% | 0.545 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.5 | -36.4 | 175.6 | -176.9 | 64.7 | 0 | 0 | 0 | 111.3 | F294 G340 A341 L342 | F294-L338 HydrophobicContact CD1-CD1 4.38Å; F294-L338 HydrophobicContact CE1-CB 4.31Å; F294-L338 HydrophobicContact CE1-CD1 4.07Å; F294-L338 HydrophobicContact CZ-CB 4.27Å; L338-G340 VanDerWaalsContact C-N 3.31Å; L338-G340 PolarHBondContact O-N 3.27Å; L338-A341 PolarHBondContact O-N 2.86Å; L338-L342 HydrophobicContact CD1-CD1 4.04Å; L338-L342 HydrophobicContact CD1-CG 4.13Å; L338-L342 HydrophobicContact CD2-CD1 4.4Å; L338-L342 HydrophobicContact CG-CD1 3.83Å; L338-L342 HydrophobicContact CG-CG 4.3Å; L338-L342 WeakPolarHBondContact O-CB 3.36Å; L338-L342 VanDerWaalsContact O-CG 3.28Å; L338-L342 WeakPolarHBondContact O-CG 3.21Å; L338-L342 PolarHBondContact O-N 3.23Å |
| 339 | A | 73.4 | Confident | 70.7 | Confident | 42 Ų | 42 | 77.5 Ų | 77.5 | 35% | 0.347 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.6 | -38.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S337 G343 K344 L345 | S337-A339 PolarHBondContact O-N 2.77Å; A339-G343 PolarHBondContact O-N 2.92Å; A339-K344 PolarHBondContact O-N 3.2Å; A339-L345 PolarHBondContact O-N 3.1Å |
| 340 | G | 68.9 | Low | 68 | Low | 3 Ų | 3 | 83.6 Ų | 83.6 | 3% | 0.031 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -64.2 | -49.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112 | M1 S337 L338 L342 G343 | M1-G340 WeakPolarHBondContact CE-O 2.93Å; S337-G340 PolarHBondContact O-N 3.3Å; S337-G340 VanDerWaalsContact O-N 3.13Å; S337-G340 PolarHBondContact OG-N 3.14Å; S337-G340 VanDerWaalsContact OG-N 3.07Å; L338-G340 VanDerWaalsContact C-N 3.31Å; L338-G340 PolarHBondContact O-N 3.27Å; G340-L342 VanDerWaalsContact C-N 3.28Å; G340-L342 PolarHBondContact O-N 3.22Å; G340-G343 PolarHBondContact O-N 3.19Å; G340-G343 VanDerWaalsContact O-N 3.09Å |
| 341 | A | 70.1 | Confident | 65.6 | Low | 34 Ų | 34 | 89.4 Ų | 89.4 | 28% | 0.281 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.7 | -32.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | F294 S337 L338 G343 | F294-A341 HydrophobicContact CB-CB 4.17Å; F294-A341 HydrophobicContact CD2-CB 3.98Å; F294-A341 HydrophobicContact CG-CB 4Å; S337-A341 PolarHBondContact O-N 3.46Å; L338-A341 PolarHBondContact O-N 2.86Å; A341-G343 VanDerWaalsContact C-N 3.32Å |
| 342 | L | 74.2 | Confident | 63.1 | Low | 111 Ų | 111 | 91.9 Ų | 91.9 | 58% | 0.581 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | 3.9 | 177.8 | -65.7 | 175.9 | 0 | 0 | 0 | 114 | L338 G340 K344 | L338-L342 HydrophobicContact CD1-CD1 4.04Å; L338-L342 HydrophobicContact CD1-CG 4.13Å; L338-L342 HydrophobicContact CD2-CD1 4.4Å; L338-L342 HydrophobicContact CG-CD1 3.83Å; L338-L342 HydrophobicContact CG-CG 4.3Å; L338-L342 WeakPolarHBondContact O-CB 3.36Å; L338-L342 VanDerWaalsContact O-CG 3.28Å; L338-L342 WeakPolarHBondContact O-CG 3.21Å; L338-L342 PolarHBondContact O-N 3.23Å; G340-L342 VanDerWaalsContact C-N 3.28Å; G340-L342 PolarHBondContact O-N 3.22Å; L342-K344 HydrophobicContact CB-CG 4.33Å; L342-K344 PolarHBondContact O-N 3.29Å |
| 343 | G | 66.1 | Low | 60.5 | Low | 55 Ų | 55 | 92.1 Ų | 92.1 | 57% | 0.567 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.5 | 15.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | A339 G340 A341 | A339-G343 PolarHBondContact O-N 2.92Å; G340-G343 PolarHBondContact O-N 3.19Å; G340-G343 VanDerWaalsContact O-N 3.09Å; A341-G343 VanDerWaalsContact C-N 3.32Å |
| 344 | K | 62.3 | Low | 58.2 | Low | 164 Ų | 164 | 98.9 Ų | 98.9 | 71% | 0.713 | 57% | 0.569 | S | S | * | * | trans | -90.9 | -10.2 | -178.7 | -66.9 | -166.9 | 176.7 | -174.1 | 0 | 113.6 | A339 L342 K346 | A339-K344 PolarHBondContact O-N 3.2Å; L342-K344 HydrophobicContact CB-CG 4.33Å; L342-K344 PolarHBondContact O-N 3.29Å; K344-K346 PolarHBondContact O-N 2.96Å; K344-K346 VanDerWaalsContact O-N 3.14Å | ||
| 345 | L | 54.6 | Low | 56 | Low | 67 Ų | 67 | 100.7 Ų | 100.7 | 35% | 0.351 | 59% | 0.587 | S | S | . | * | S | Bend | trans | -74.3 | 103.3 | 175.1 | -161.8 | 73.4 | 0 | 0 | 0 | 108.8 | A339 H347 | A339-L345 PolarHBondContact O-N 3.1Å; L345-H347 PolarHBondContact O-N 3.14Å; L345-H347 VanDerWaalsContact O-N 3.14Å; L345-H347 PolarHBondContact O-ND1 3.42Å |
| 346 | K | 48.5 | Very low | 53.9 | Low | 202 Ų | 202 | 101.9 Ų | 101.9 | 88% | 0.878 | 59% | 0.585 | S | S | * | * | trans | -60.5 | 115.8 | 170.6 | -69.5 | -172 | 177.1 | -175.5 | 0 | 107.7 | K344 | K344-K346 PolarHBondContact O-N 2.96Å; K344-K346 VanDerWaalsContact O-N 3.14Å | ||
| 347 | H | 46.6 | Very low | 52 | Low | 110 Ų | 110 | 106 Ų | 106 | 51% | 0.509 | 61% | 0.612 | S | S | . | * | P | Polyproline II helix | trans | -67.7 | 135.8 | 171.7 | -72.9 | 59.3 | 0 | 0 | 0 | 107.9 | L345 Q349 | L345-H347 PolarHBondContact O-N 3.14Å; L345-H347 VanDerWaalsContact O-N 3.14Å; L345-H347 PolarHBondContact O-ND1 3.42Å; H347-Q349 PolarHBondContact O-N 2.65Å |
| 348 | G | 41.7 | Very low | 50.6 | Low | 74 Ų | 74 | 113.6 Ų | 113.6 | 76% | 0.763 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 129.5 | 163.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | D350 | G348-D350 PolarHBondContact O-N 3.03Š|
| 349 | Q | 37.1 | Very low | 49.4 | Very low | 194 Ų | 194 | 110.8 Ų | 110.8 | 91% | 0.907 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 123.7 | 176.5 | -71.9 | 178.6 | -29.4 | 0 | 0 | 109.3 | H347 | H347-Q349 PolarHBondContact O-N 2.65Š|
| 350 | D | 34.1 | Very low | 48.1 | Very low | 129 Ų | 129 | 113.1 Ų | 113.1 | 69% | 0.69 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 131.7 | 162.5 | -100.6 | -35 | 0 | 0 | 0 | 108.4 | G348 G352 | G348-D350 PolarHBondContact O-N 3.03Å; D350-G352 PolarHBondContact O-N 3.23Å |
| 351 | P | 40.2 | Very low | 47.1 | Very low | 138 Ų | 138 | 114.7 Ų | 114.7 | 90% | 0.896 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | 5.4 | 178.8 | 26.2 | -32.1 | 0 | 0 | 0 | 113.9 | ||
| 352 | G | 37.4 | Very low | 45.8 | Very low | 68 Ų | 68 | 124.1 Ų | 124.1 | 70% | 0.701 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.6 | -11.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | D350 H354 | D350-G352 PolarHBondContact O-N 3.23Å; G352-H354 PolarHBondContact O-N 3.32Å |
| 353 | T | 32.4 | Very low | 44.4 | Very low | 116 Ų | 116 | 125.3 Ų | 125.3 | 71% | 0.712 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -84.3 | 118.1 | -178.3 | -47.1 | 0 | 0 | 0 | 0 | 109.4 | V355 | T353-V355 PolarHBondContact O-N 3.29Š|
| 354 | H | 36 | Very low | 43.1 | Very low | 180 Ų | 180 | 126.3 Ų | 126.3 | 83% | 0.833 | 66% | 0.66 | S | S | * | * | trans | -31.5 | 126.2 | 175.6 | -82.2 | -85.8 | 0 | 0 | 0 | 112.2 | G352 M356 | G352-H354 PolarHBondContact O-N 3.32Å; H354-M356 VanDerWaalsContact C-N 3.34Å; H354-M356 PolarHBondContact O-N 2.85Å | ||
| 355 | V | 34.3 | Very low | 41.7 | Very low | 132 Ų | 132 | 124.5 Ų | 124.5 | 80% | 0.8 | 67% | 0.666 | S | S | * | * | trans | -50.1 | 101.3 | 173.7 | 178.9 | 0 | 0 | 0 | 0 | 107.7 | T353 | T353-V355 PolarHBondContact O-N 3.29Š| ||
| 356 | M | 36 | Very low | 41 | Very low | 157 Ų | 157 | 129.3 Ų | 129.3 | 77% | 0.773 | 69% | 0.686 | S | S | * | * | trans | -54.2 | 131 | 169.2 | -160.6 | 144.6 | 134.9 | 0 | 0 | 105.7 | H354 R358 | H354-M356 VanDerWaalsContact C-N 3.34Å; H354-M356 PolarHBondContact O-N 2.85Å; M356-R358 PolarHBondContact O-N 2.86Å; M356-R358 VanDerWaalsContact O-N 3.13Å | ||
| 357 | P | 41.6 | Very low | 40.2 | Very low | 100 Ų | 100 | 123.1 Ų | 123.1 | 65% | 0.649 | 68% | 0.68 | S | S | * | * | trans | -51.1 | 130 | 178.2 | 19 | -29.6 | 0 | 0 | 0 | 107.7 | F359 | P357-F359 PolarHBondContact O-N 3.11Š| ||
| 358 | R | 48.8 | Very low | 39.4 | Very low | 205 Ų | 205 | 124.6 Ų | 124.6 | 77% | 0.774 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -58.8 | -6.2 | -177.3 | -79 | -178.1 | 172.1 | 178.5 | -2.6 | 113 | M356 | M356-R358 PolarHBondContact O-N 2.86Å; M356-R358 VanDerWaalsContact O-N 3.13Å |
| 359 | F | 53.8 | Low | 38.7 | Very low | 46 Ų | 46 | 124.2 Ų | 124.2 | 20% | 0.202 | 70% | 0.697 | C | S | . | * | trans | -133.1 | 131.6 | -169.3 | -51.7 | -70.8 | 0 | 0 | 0 | 111 | P357 T431 D435 L469 | P357-F359 PolarHBondContact O-N 3.11Å; F359-T431 HydrophobicContact CB-CG2 3.78Å; F359-T431 HydrophobicContact CD2-CG2 4.5Å; F359-T431 HydrophobicContact CG-CG2 4.3Å; F359-D435 VanDerWaalsContact CE2-OD1 3.26Å; F359-D435 WeakPolarHBondContact CE2-OD1 3.44Å; F359-L469 HydrophobicContact CD1-CD2 3.67Å; F359-L469 HydrophobicContact CE1-CD2 3.99Å | ||
| 360 | V | 45.6 | Very low | 38.5 | Very low | 90 Ų | 90 | 124.1 Ų | 124.1 | 55% | 0.545 | 70% | 0.702 | S | S | . | * | trans | -104.3 | 118.5 | 171.7 | 178.9 | 0 | 0 | 0 | 0 | 107.4 | W362 | V360-W362 PolarHBondContact O-N 3.32Š| ||
| 361 | N | 46.8 | Very low | 38.2 | Very low | 37 Ų | 37 | 120.8 Ų | 120.8 | 20% | 0.198 | 70% | 0.697 | C | S | . | * | trans | -80.5 | 106.4 | 172.9 | -172.3 | -9.7 | 0 | 0 | 0 | 109.3 | E363 T364 P427 | N361-E363 PolarHBondContact O-N 2.94Å; N361-E363 WeakPolarHBondContact OD1-CB 3.17Å; N361-E363 PolarHBondContact OD1-N 3.45Å; N361-T364 PolarHBondContact O-N 3.11Å; N361-T364 PolarHBondContact O-OG1 3.31Å; N361-T364 VanDerWaalsContact O-OG1 3.04Å; N361-P427 PolarHBondContact ND2-O 3.16Å | ||
| 362 | W | 44.2 | Very low | 37.8 | Very low | 231 Ų | 231 | 124.6 Ų | 124.6 | 88% | 0.875 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | -12.2 | 178.7 | -69.1 | 100.2 | 0 | 0 | 0 | 113.7 | V360 T364 | V360-W362 PolarHBondContact O-N 3.32Å; W362-T364 VanDerWaalsContact C-N 3.32Å |
| 363 | E | 43.5 | Very low | 37.3 | Very low | 137 Ų | 137 | 129.6 Ų | 129.6 | 64% | 0.64 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -11.7 | 177.7 | -57.7 | -161.8 | 151.9 | 0 | 0 | 113.3 | N361 | N361-E363 PolarHBondContact O-N 2.94Å; N361-E363 WeakPolarHBondContact OD1-CB 3.17Å; N361-E363 PolarHBondContact OD1-N 3.45Å |
| 364 | T | 39.8 | Very low | 37.2 | Very low | 75 Ų | 75 | 132 Ų | 132 | 46% | 0.46 | 71% | 0.714 | S | S | . | * | S | Bend | trans | -99.4 | 116.3 | 168 | 38.6 | 0 | 0 | 0 | 0 | 109.8 | N361 W362 Q366 | N361-T364 PolarHBondContact O-N 3.11Å; N361-T364 PolarHBondContact O-OG1 3.31Å; N361-T364 VanDerWaalsContact O-OG1 3.04Å; W362-T364 VanDerWaalsContact C-N 3.32Å; T364-Q366 VanDerWaalsContact C-N 3.27Å; T364-Q366 PolarHBondContact O-N 3.02Å |
| 365 | P | 33.1 | Very low | 36.7 | Very low | 127 Ų | 127 | 128.3 Ų | 128.3 | 83% | 0.825 | 71% | 0.708 | S | S | * | * | trans | -68.8 | 90.4 | 171.9 | 28.3 | -31.4 | 0 | 0 | 0 | 108.3 | G367 | P365-G367 PolarHBondContact O-N 3.01Š| ||
| 366 | Q | 40.5 | Very low | 36.4 | Very low | 167 Ų | 167 | 131.2 Ų | 131.2 | 78% | 0.78 | 71% | 0.713 | S | S | * | * | trans | -70 | 100.1 | 162.8 | -97.3 | 175.9 | -8 | 0 | 0 | 106.9 | T364 C368 | T364-Q366 VanDerWaalsContact C-N 3.27Å; T364-Q366 PolarHBondContact O-N 3.02Å; Q366-C368 PolarHBondContact O-N 3.5Å | ||
| 367 | G | 30.5 | Very low | 36 | Very low | 72 Ų | 72 | 132.8 Ų | 132.8 | 74% | 0.742 | 72% | 0.719 | S | S | * | * | trans | -51.8 | 123.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | P365 G369 | P365-G367 PolarHBondContact O-N 3.01Å; G367-G369 PolarHBondContact O-N 2.92Å | ||
| 368 | C | 30.7 | Very low | 35.2 | Very low | 142 Ų | 142 | 132.8 Ų | 132.8 | 96% | 0.959 | 72% | 0.721 | S | S | * | * | trans | -64.4 | 105.1 | 171.6 | -149.1 | 0 | 0 | 0 | 0 | 107.8 | Q366 | Q366-C368 PolarHBondContact O-N 3.5Š| ||
| 369 | G | 26.6 | Very low | 34.5 | Very low | 65 Ų | 65 | 134.5 Ų | 134.5 | 67% | 0.67 | 73% | 0.727 | S | S | * | * | trans | -144.9 | 86.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | G367 G371 | G367-G369 PolarHBondContact O-N 2.92Å; G369-G371 PolarHBondContact O-N 3.28Å | ||
| 370 | L | 33.2 | Very low | 33.2 | Very low | 193 Ų | 193 | 143.4 Ų | 143.4 | 100% | 1.01 | 76% | 0.76 | S | S | * | * | trans | -63 | 101.6 | 160.6 | -87.7 | 154.9 | 0 | 0 | 0 | 108.1 | ||||
| 371 | G | 26.4 | Very low | 32.7 | Very low | 58 Ų | 58 | 146.2 Ų | 146.2 | 60% | 0.598 | 77% | 0.77 | S | S | * | * | trans | 175.4 | 98.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110 | G369 Q373 | G369-G371 PolarHBondContact O-N 3.28Å; G371-Q373 PolarHBondContact O-N 3.21Å | ||
| 372 | F | 33.4 | Very low | 31.9 | Very low | 218 Ų | 218 | 152.7 Ų | 152.7 | 96% | 0.956 | 80% | 0.804 | S | S | * | * | trans | -57 | 102.6 | 161.1 | -87.9 | -92.6 | 0 | 0 | 0 | 108.1 | ||||
| 373 | Q | 25.5 | Very low | 31.2 | Very low | 173 Ų | 173 | 153.2 Ų | 153.2 | 81% | 0.808 | 81% | 0.806 | S | S | * | * | trans | -118.2 | 110.8 | 160.6 | -74.1 | -161.9 | 9.3 | 0 | 0 | 108.6 | G371 S375 | G371-Q373 PolarHBondContact O-N 3.21Å; Q373-S375 PolarHBondContact O-N 3.44Å; Q373-S375 VanDerWaalsContact O-N 3.14Å | ||
| 374 | N | 31.1 | Very low | 30.6 | Very low | 168 Ų | 168 | 158.4 Ų | 158.4 | 90% | 0.898 | 82% | 0.819 | S | S | * | * | trans | -48.4 | 115.2 | 152.9 | -68.2 | -29.1 | 0 | 0 | 0 | 108 | ||||
| 375 | S | 26.2 | Very low | 30 | Very low | 102 Ų | 102 | 166.4 Ų | 166.4 | 71% | 0.713 | 84% | 0.841 | S | S | * | * | trans | -132.9 | 113.5 | 161.3 | 61.3 | 0 | 0 | 0 | 0 | 109.5 | Q373 Q377 | Q373-S375 PolarHBondContact O-N 3.44Å; Q373-S375 VanDerWaalsContact O-N 3.14Å; S375-Q377 PolarHBondContact O-N 3.11Å | ||
| 376 | E | 26.7 | Very low | 29.7 | Very low | 193 Ų | 193 | 168.1 Ų | 168.1 | 90% | 0.902 | 84% | 0.836 | S | S | * | * | trans | -50.5 | 124 | 163.8 | -66.2 | -175.6 | 141.4 | 0 | 0 | 109.2 | S378 | E376-S378 PolarHBondContact O-N 3.45Š| ||
| 377 | Q | 28.3 | Very low | 29.1 | Very low | 190 Ų | 190 | 167.5 Ų | 167.5 | 89% | 0.888 | 84% | 0.836 | S | S | * | * | trans | -65.4 | 100.6 | 171.2 | -81.3 | -179.3 | -19.9 | 0 | 0 | 109.8 | S375 R379 | S375-Q377 PolarHBondContact O-N 3.11Å; Q377-R379 PolarHBondContact O-N 3.31Å; Q377-R379 VanDerWaalsContact O-N 3.14Å | ||
| 378 | S | 25 | Very low | 28.9 | Very low | 100 Ų | 100 | 171.1 Ų | 171.1 | 70% | 0.699 | 83% | 0.834 | S | S | * | * | trans | -66.8 | 108.9 | 163.8 | 107.9 | 0 | 0 | 0 | 0 | 108.6 | E376 R380 | E376-S378 PolarHBondContact O-N 3.45Å; S378-R380 PolarHBondContact O-N 3.38Å | ||
| 379 | R | 33.8 | Very low | 28.7 | Very low | 240 Ų | 240 | 169.8 Ų | 169.8 | 91% | 0.906 | 82% | 0.821 | S | S | * | * | trans | -64.4 | 110.8 | 166.1 | -73.4 | 178.8 | 173 | 174 | -1.3 | 109 | Q377 | Q377-R379 PolarHBondContact O-N 3.31Å; Q377-R379 VanDerWaalsContact O-N 3.14Å | ||
| 380 | R | 26.6 | Very low | 28.9 | Very low | 233 Ų | 233 | 172.1 Ų | 172.1 | 88% | 0.879 | 83% | 0.827 | S | S | * | * | trans | -105.6 | 114.7 | 158.9 | -85 | -173.9 | 178.1 | 171.6 | 1.6 | 110.4 | S378 | S378-R380 PolarHBondContact O-N 3.38Š| ||
| 381 | I | 34.6 | Very low | 28.7 | Very low | 149 Ų | 149 | 170.6 Ų | 170.6 | 76% | 0.764 | 82% | 0.819 | S | S | * | * | trans | -61.3 | 121.8 | 176.1 | -64.5 | 159.7 | 0 | 0 | 0 | 109.6 | R383 | I381-R383 HydrophobicContact CG2-CG 4.43Š| ||
| 382 | L | 29.3 | Very low | 28.9 | Very low | 173 Ų | 173 | 176.1 Ų | 176.1 | 91% | 0.906 | 83% | 0.829 | S | S | * | * | trans | -127.4 | 109.7 | 157.9 | -106.1 | 156.4 | 0 | 0 | 0 | 108.8 | R384 | L382-R384 PolarHBondContact O-N 3.03Š| ||
| 383 | R | 31.4 | Very low | 28.8 | Very low | 243 Ų | 243 | 171.7 Ų | 171.7 | 92% | 0.917 | 82% | 0.822 | S | S | * | * | trans | -58.3 | 118.1 | -177.8 | -69.6 | 171.9 | 170.7 | 169.3 | -3.6 | 110.6 | I381 | I381-R383 HydrophobicContact CG2-CG 4.43Š| ||
| 384 | R | 30 | Very low | 29.3 | Very low | 245 Ų | 245 | 172 Ų | 172 | 93% | 0.925 | 82% | 0.824 | S | S | * | * | trans | -117.8 | 122.1 | 156.7 | -146.5 | 176.2 | -168.8 | -173.4 | 2.8 | 108.3 | L382 K386 | L382-R384 PolarHBondContact O-N 3.03Å; R384-K386 PolarHBondContact O-N 3.06Å | ||
| 385 | R | 27.9 | Very low | 30 | Very low | 244 Ų | 244 | 167.5 Ų | 167.5 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | trans | -52.1 | 121.6 | 179.5 | -98.3 | 174.9 | 170.8 | 166.1 | -3.9 | 110.1 | I387 | R385-I387 PolarHBondContact O-N 3.32Š| ||
| 386 | K | 26 | Very low | 31.5 | Very low | 162 Ų | 162 | 165.8 Ų | 165.8 | 70% | 0.704 | 79% | 0.789 | S | S | * | * | trans | -70.7 | 114.4 | 166.6 | -128.4 | -178.1 | -178.4 | -169.8 | 0 | 107.8 | R384 E388 | R384-K386 PolarHBondContact O-N 3.06Å; K386-E388 HydrophobicContact CD-CG 3.9Å; K386-E388 WeakPolarHBondContact CE-OE1 3.43Å; K386-E388 HydrophobicContact CG-CG 4.13Å; K386-E388 IonicContact NZ-OE1 3.73Å; K386-E388 PolarHBondContact NZ-OE1 3.49Å | ||
| 387 | I | 28 | Very low | 33 | Very low | 155 Ų | 155 | 159.9 Ų | 159.9 | 80% | 0.795 | 77% | 0.767 | S | S | * | * | trans | -99.9 | 101 | 149.6 | -66.9 | 173 | 0 | 0 | 0 | 103.5 | R385 V389 | R385-I387 PolarHBondContact O-N 3.32Å; I387-V389 HydrophobicContact CG2-CG2 4.28Å; I387-V389 PolarHBondContact O-N 2.89Å | ||
| 388 | E | 26.1 | Very low | 34.5 | Very low | 148 Ų | 148 | 152.3 Ų | 152.3 | 69% | 0.692 | 74% | 0.735 | S | S | * | * | trans | -74.1 | 105.4 | 169.2 | -87.9 | 170.6 | 162.3 | 0 | 0 | 107.9 | K386 | K386-E388 HydrophobicContact CD-CG 3.9Å; K386-E388 WeakPolarHBondContact CE-OE1 3.43Å; K386-E388 HydrophobicContact CG-CG 4.13Å; K386-E388 IonicContact NZ-OE1 3.73Å; K386-E388 PolarHBondContact NZ-OE1 3.49Å | ||
| 389 | V | 26.5 | Very low | 36.3 | Very low | 113 Ų | 113 | 154.3 Ų | 154.3 | 69% | 0.685 | 73% | 0.731 | S | S | * | * | trans | -108.2 | 121.4 | 150.5 | 177 | 0 | 0 | 0 | 0 | 105.5 | I387 L391 | I387-V389 HydrophobicContact CG2-CG2 4.28Å; I387-V389 PolarHBondContact O-N 2.89Å; V389-L391 PolarHBondContact O-N 2.96Å; V389-L391 VanDerWaalsContact O-N 3.1Å | ||
| 390 | S | 30.6 | Very low | 37.7 | Very low | 115 Ų | 115 | 147.3 Ų | 147.3 | 80% | 0.804 | 71% | 0.709 | S | S | * | * | trans | -59.6 | 105.6 | 178 | 52.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 391 | L | 30.3 | Very low | 39.6 | Very low | 160 Ų | 160 | 136.5 Ų | 136.5 | 84% | 0.838 | 67% | 0.668 | S | S | * | * | trans | -123.8 | 131.8 | 158.5 | -72.7 | 167.3 | 0 | 0 | 0 | 106.8 | V389 | V389-L391 PolarHBondContact O-N 2.96Å; V389-L391 VanDerWaalsContact O-N 3.1Å | ||
| 392 | Q | 28.7 | Very low | 41.2 | Very low | 174 Ų | 174 | 132.3 Ų | 132.3 | 81% | 0.813 | 65% | 0.647 | S | S | * | * | trans | -56.2 | 155.7 | 178 | -66.7 | -138.8 | -9.1 | 0 | 0 | 111.2 | E394 | Q392-E394 PolarHBondContact O-N 3.25Š| ||
| 393 | P | 32.3 | Very low | 43 | Very low | 125 Ų | 125 | 127.4 Ų | 127.4 | 81% | 0.812 | 63% | 0.628 | S | S | * | * | trans | -70.3 | 96.2 | 172.9 | 28.7 | -29.7 | 0 | 0 | 0 | 108.5 | V395 | P393-V395 PolarHBondContact O-N 3.18Š| ||
| 394 | E | 35.6 | Very low | 44.7 | Very low | 181 Ų | 181 | 117 Ų | 117 | 85% | 0.846 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 127.8 | 167.9 | -76.8 | -178.6 | 161.8 | 0 | 0 | 108.7 | Q392 | Q392-E394 PolarHBondContact O-N 3.25Š|
| 395 | V | 45.3 | Very low | 46.7 | Very low | 73 Ų | 73 | 105.6 Ų | 105.6 | 44% | 0.442 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -55.9 | 137.3 | 171.6 | 176.7 | 0 | 0 | 0 | 0 | 107.6 | P393 K399 Q400 | P393-V395 PolarHBondContact O-N 3.18Å; V395-K399 HydrophobicContact CG1-CB 3.93Å; V395-Q400 HydrophobicContact CB-CG 4.15Å; V395-Q400 HydrophobicContact CG1-CG 3.96Å |
| 396 | P | 59.1 | Low | 48.5 | Very low | 65 Ų | 65 | 101 Ų | 101 | 42% | 0.422 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -53 | 131.3 | 178.9 | -24 | 31.8 | 0 | 0 | 0 | 110.2 | S398 K399 Q400 | P396-S398 PolarHBondContact O-N 3.01Å; P396-K399 PolarHBondContact O-N 3.47Å; P396-Q400 PolarHBondContact O-N 3.33Å |
| 397 | P | 58 | Low | 50.4 | Low | 70 Ų | 70 | 101.6 Ų | 101.6 | 46% | 0.455 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -56.5 | -25.1 | -176.6 | 16.5 | -28.5 | 0 | 0 | 0 | 112.9 | Q400 L401 | P397-Q400 PolarHBondContact O-N 2.74Å; P397-L401 WeakPolarHBondContact O-CB 3.45Å; P397-L401 PolarHBondContact O-N 3.36Å |
| 398 | S | 59.2 | Low | 52.5 | Low | 31 Ų | 31 | 97 Ų | 97 | 22% | 0.217 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -63.8 | -37.8 | 172.9 | 54.9 | 0 | 0 | 0 | 0 | 114.3 | P396 L402 | P396-S398 PolarHBondContact O-N 3.01Å; S398-L402 WeakPolarHBondContact O-CG 3.27Å; S398-L402 PolarHBondContact O-N 2.98Å |
| 399 | K | 62.7 | Low | 54.8 | Low | 142 Ų | 142 | 93.4 Ų | 93.4 | 62% | 0.617 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -75.8 | -32.5 | 177.9 | -73.1 | -172.2 | 175.9 | -175.6 | 0 | 112.1 | V395 P396 S403 | V395-K399 HydrophobicContact CG1-CB 3.93Å; P396-K399 PolarHBondContact O-N 3.47Å; K399-S403 PolarHBondContact O-N 3.45Å; K399-S403 PolarHBondContact O-OG 3.13Å |
| 400 | Q | 62.7 | Low | 57.2 | Low | 93 Ų | 93 | 91.6 Ų | 91.6 | 44% | 0.435 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.8 | -41.5 | 173.3 | -72.4 | 178.8 | -17.2 | 0 | 0 | 111.3 | V395 P396 P397 S403 T404 | V395-Q400 HydrophobicContact CB-CG 4.15Å; V395-Q400 HydrophobicContact CG1-CG 3.96Å; P396-Q400 PolarHBondContact O-N 3.33Å; P397-Q400 PolarHBondContact O-N 2.74Å; Q400-S403 WeakPolarHBondContact CA-OG 3.49Å; Q400-S403 PolarHBondContact O-N 3.25Å; Q400-S403 PolarHBondContact O-OG 3.1Å; Q400-T404 WeakPolarHBondContact O-CB 3.33Å; Q400-T404 PolarHBondContact O-N 3.11Å; Q400-T404 PolarHBondContact O-OG1 3.06Å |
| 401 | L | 67 | Low | 59.4 | Low | 5 Ų | 5 | 94.2 Ų | 94.2 | 3% | 0.026 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -63.3 | -43.1 | 178.5 | -166.8 | 124.4 | 0 | 0 | 0 | 112.7 | P397 S403 T404 I405 E416 F420 T436 | P397-L401 WeakPolarHBondContact O-CB 3.45Å; P397-L401 PolarHBondContact O-N 3.36Å; L401-S403 PolarHBondContact O-N 2.81Å; L401-T404 PolarHBondContact O-N 3.35Å; L401-I405 HydrophobicContact CD2-CD1 3.76Å; L401-I405 HydrophobicContact CG-CD1 4.34Å; L401-I405 WeakPolarHBondContact O-CD1 3.29Å; L401-I405 VanDerWaalsContact O-CG1 3.25Å; L401-I405 WeakPolarHBondContact O-CG1 3.19Å; L401-I405 PolarHBondContact O-N 2.89Å; L401-I405 VanDerWaalsContact O-N 3.1Å; L401-E416 HydrophobicContact CD1-CG 4.18Å; L401-F420 HydrophobicContact CD1-CB 3.63Å; L401-F420 HydrophobicContact CD1-CD2 4.43Å; L401-F420 HydrophobicContact CD1-CG 4.03Å; L401-T436 HydrophobicContact CD2-CG2 3.43Å; L401-T436 VanDerWaalsContact CD2-CG2 3.43Å; L401-T436 VanDerWaalsContact CD2-OG1 3.26Å; L401-T436 WeakPolarHBondContact CD2-OG1 3.33Å |
| 402 | L | 68.9 | Low | 61.5 | Low | 61 Ų | 61 | 90.4 Ų | 90.4 | 32% | 0.319 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65 | -36.1 | 176.6 | -71.3 | 171.7 | 0 | 0 | 0 | 113 | S398 D435 | S398-L402 WeakPolarHBondContact O-CG 3.27Å; S398-L402 PolarHBondContact O-N 2.98Å; L402-D435 HydrophobicContact CD1-CB 4.45Å; L402-D435 HydrophobicContact CD2-CB 4.39Å |
| 403 | S | 67.4 | Low | 63.9 | Low | 71 Ų | 71 | 82.2 Ų | 82.2 | 50% | 0.497 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -69.5 | -39.7 | 174 | 48.7 | 0 | 0 | 0 | 0 | 112.9 | K399 Q400 L401 I405 M406 | K399-S403 PolarHBondContact O-N 3.45Å; K399-S403 PolarHBondContact O-OG 3.13Å; Q400-S403 WeakPolarHBondContact CA-OG 3.49Å; Q400-S403 PolarHBondContact O-N 3.25Å; Q400-S403 PolarHBondContact O-OG 3.1Å; L401-S403 PolarHBondContact O-N 2.81Å; S403-I405 VanDerWaalsContact C-N 3.28Å; S403-I405 PolarHBondContact O-N 2.64Å; S403-M406 PolarHBondContact O-N 3.27Å |
| 404 | T | 66.2 | Low | 66.1 | Low | 25 Ų | 25 | 78 Ų | 78 | 15% | 0.153 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -62.2 | -34.7 | 176.7 | -73 | 0 | 0 | 0 | 0 | 112 | Q400 L401 M406 E407 D408 I413 | Q400-T404 WeakPolarHBondContact O-CB 3.33Å; Q400-T404 PolarHBondContact O-N 3.11Å; Q400-T404 PolarHBondContact O-OG1 3.06Å; L401-T404 PolarHBondContact O-N 3.35Å; T404-M406 PolarHBondContact O-N 2.92Å; T404-E407 PolarHBondContact O-N 3.04Å; T404-D408 HydrophobicContact CG2-CB 4.13Å; T404-D408 VanDerWaalsContact CG2-OD2 3.31Å; T404-D408 WeakPolarHBondContact CG2-OD2 3.3Å; T404-D408 WeakPolarHBondContact O-CB 3.41Å; T404-D408 PolarHBondContact O-N 2.76Å; T404-D408 VanDerWaalsContact O-N 3.09Å; T404-I413 HydrophobicContact CG2-CG1 4.48Å |
| 405 | I | 71.6 | Confident | 68.2 | Low | 4 Ų | 4 | 72.4 Ų | 72.4 | 2% | 0.021 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.8 | -27.9 | 178.7 | -73.2 | 162.6 | 0 | 0 | 0 | 112.9 | L401 S403 I413 T436 L440 R443 | L401-I405 HydrophobicContact CD2-CD1 3.76Å; L401-I405 HydrophobicContact CG-CD1 4.34Å; L401-I405 WeakPolarHBondContact O-CD1 3.29Å; L401-I405 VanDerWaalsContact O-CG1 3.25Å; L401-I405 WeakPolarHBondContact O-CG1 3.19Å; L401-I405 PolarHBondContact O-N 2.89Å; L401-I405 VanDerWaalsContact O-N 3.1Å; S403-I405 VanDerWaalsContact C-N 3.28Å; S403-I405 PolarHBondContact O-N 2.64Å; I405-I413 HydrophobicContact CG1-CG2 4.37Å; I405-T436 HydrophobicContact CD1-CG2 3.77Å; I405-L440 HydrophobicContact CD1-CD2 4.34Å; I405-L440 HydrophobicContact CD1-CG 4.18Å; I405-L440 HydrophobicContact CG1-CD2 4.02Å; I405-L440 HydrophobicContact CG1-CG 4.4Å; I405-L440 HydrophobicContact CG2-CD2 3.8Å; I405-L440 HydrophobicContact CG2-CG 4.13Å; I405-R443 WeakPolarHBondContact O-CD 3.36Å; I405-R443 PolarHBondContact O-NH1 3.4Å |
| 406 | M | 65.8 | Low | 69.7 | Low | 148 Ų | 148 | 71.1 Ų | 71.1 | 73% | 0.729 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -78.8 | -28.6 | -176.8 | -65.4 | -166.8 | 73.6 | 0 | 0 | 113.8 | S403 T404 | S403-M406 PolarHBondContact O-N 3.27Å; T404-M406 PolarHBondContact O-N 2.92Å |
| 407 | E | 66.5 | Low | 70.7 | Confident | 174 Ų | 174 | 68.1 Ų | 68.1 | 81% | 0.813 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -123.5 | -23.1 | -168.2 | -63.5 | -173.9 | 171.7 | 0 | 0 | 114.5 | T404 | T404-E407 PolarHBondContact O-N 3.04Å |
| 408 | D | 71.6 | Confident | 71.8 | Confident | 58 Ų | 58 | 70.7 Ų | 70.7 | 31% | 0.31 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -88.9 | 167.6 | -169.7 | -75.3 | -53 | 0 | 0 | 0 | 115.3 | T404 H412 I413 R443 | T404-D408 HydrophobicContact CG2-CB 4.13Å; T404-D408 VanDerWaalsContact CG2-OD2 3.31Å; T404-D408 WeakPolarHBondContact CG2-OD2 3.3Å; T404-D408 WeakPolarHBondContact O-CB 3.41Å; T404-D408 PolarHBondContact O-N 2.76Å; T404-D408 VanDerWaalsContact O-N 3.09Å; D408-H412 HydrophobicContact CB-CB 4.28Å; D408-H412 IonicContact OD1-CD2 2.72Å; D408-H412 IonicContact OD2-CD2 3.98Å; D408-H412 PolarHBondContact OD2-CD2 3.12Å; D408-H412 IonicContact OD2-NE2 3.07Å; D408-I413 HydrophobicContact CB-CG1 4.34Å; D408-R443 PolarHBondContact O-NH1 2.87Å; D408-R443 PolarHBondContact O-NH2 3.25Å; D408-R443 VanDerWaalsContact O-NH2 3.14Å |
| 409 | S | 74.9 | Confident | 72.7 | Confident | 74 Ų | 74 | 74.4 Ų | 74.4 | 52% | 0.517 | 36% | 0.364 | S | S | . | . | trans | -74.4 | 152.6 | 176.9 | 71.4 | 0 | 0 | 0 | 0 | 113.2 | K411 H412 I413 | S409-K411 VanDerWaalsContact C-N 3.28Å; S409-K411 PolarHBondContact O-N 3.47Å; S409-K411 VanDerWaalsContact O-N 3.16Å; S409-H412 WeakPolarHBondContact O-CB 3.28Å; S409-H412 PolarHBondContact O-N 2.93Å; S409-I413 WeakPolarHBondContact O-CG1 3.48Å; S409-I413 PolarHBondContact O-N 3.42Å; S409-I413 VanDerWaalsContact O-N 3.07Å | ||
| 410 | E | 77.1 | Confident | 73.5 | Confident | 74 Ų | 74 | 68.7 Ų | 68.7 | 35% | 0.346 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -50.2 | -43.4 | -179.2 | -174.1 | -176.3 | 174 | 0 | 0 | 113.4 | H412 I413 E414 F450 P452 | E410-H412 VanDerWaalsContact C-N 3.32Å; E410-H412 PolarHBondContact O-N 3.37Å; E410-I413 PolarHBondContact O-N 3.1Å; E410-E414 PolarHBondContact O-N 3.31Å; E410-F450 HydrophobicContact CB-CE2 4.04Å; E410-P452 HydrophobicContact CG-CB 4.24Å |
| 411 | K | 75.9 | Confident | 74.2 | Confident | 170 Ų | 170 | 66.6 Ų | 66.6 | 74% | 0.739 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -67 | -32.4 | 179.8 | -65 | -173.8 | -180 | -178.4 | 0 | 113 | S409 V415 | S409-K411 VanDerWaalsContact C-N 3.28Å; S409-K411 PolarHBondContact O-N 3.47Å; S409-K411 VanDerWaalsContact O-N 3.16Å; K411-V415 WeakPolarHBondContact O-CG2 3.49Å; K411-V415 PolarHBondContact O-N 3.11Å |
| 412 | H | 76.3 | Confident | 74.7 | Confident | 81 Ų | 81 | 70.4 Ų | 70.4 | 38% | 0.375 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -73.4 | -42.7 | 177.5 | -169.3 | 66.5 | 0 | 0 | 0 | 110.6 | D408 S409 E410 E414 V415 E416 | D408-H412 HydrophobicContact CB-CB 4.28Å; D408-H412 IonicContact OD1-CD2 2.72Å; D408-H412 IonicContact OD2-CD2 3.98Å; D408-H412 PolarHBondContact OD2-CD2 3.12Å; D408-H412 IonicContact OD2-NE2 3.07Å; S409-H412 WeakPolarHBondContact O-CB 3.28Å; S409-H412 PolarHBondContact O-N 2.93Å; E410-H412 VanDerWaalsContact C-N 3.32Å; E410-H412 PolarHBondContact O-N 3.37Å; H412-E414 VanDerWaalsContact C-N 3.33Å; H412-E414 PolarHBondContact O-N 3.33Å; H412-V415 PolarHBondContact O-N 2.97Å; H412-E416 PolarHBondContact O-N 3.41Å; H412-E416 VanDerWaalsContact O-N 3.1Å |
| 413 | I | 78.5 | Confident | 75 | Confident | 2 Ų | 2 | 72 Ų | 72 | 1% | 0.01 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -59.2 | -44.1 | 175.4 | -65.3 | 169.1 | 0 | 0 | 0 | 110.7 | T404 I405 D408 S409 E410 V415 E416 V417 L440 F450 | T404-I413 HydrophobicContact CG2-CG1 4.48Å; I405-I413 HydrophobicContact CG1-CG2 4.37Å; D408-I413 HydrophobicContact CB-CG1 4.34Å; S409-I413 WeakPolarHBondContact O-CG1 3.48Å; S409-I413 PolarHBondContact O-N 3.42Å; S409-I413 VanDerWaalsContact O-N 3.07Å; E410-I413 PolarHBondContact O-N 3.1Å; I413-V415 VanDerWaalsContact C-N 3.33Å; I413-V415 PolarHBondContact O-N 2.9Å; I413-E416 PolarHBondContact O-N 2.9Å; I413-V417 HydrophobicContact CG2-CG2 4.25Å; I413-V417 WeakPolarHBondContact O-CG2 3.32Å; I413-V417 PolarHBondContact O-N 3.5Å; I413-L440 HydrophobicContact CG2-CD2 3.89Å; I413-F450 HydrophobicContact CD1-CE2 4.17Å; I413-F450 HydrophobicContact CD1-CZ 3.75Å |
| 414 | E | 78.8 | Confident | 74.7 | Confident | 35 Ų | 35 | 78.1 Ų | 78.1 | 16% | 0.164 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -60.6 | -41.4 | 178.9 | -165.1 | -169.4 | 149.6 | 0 | 0 | 112.7 | E410 H412 E416 R418 C455 Q458 | E410-E414 PolarHBondContact O-N 3.31Å; H412-E414 VanDerWaalsContact C-N 3.33Å; H412-E414 PolarHBondContact O-N 3.33Å; E414-E416 VanDerWaalsContact C-N 3.34Å; E414-R418 WeakPolarHBondContact O-CB 3.01Å; E414-R418 PolarHBondContact O-N 3.47Å; E414-R418 IonicContact OE1-CZ 3.97Å; E414-R418 IonicContact OE1-NH2 3.5Å; E414-R418 PolarHBondContact OE1-NH2 2.92Å; E414-C455 WeakPolarHBondContact CA-SG 3.32Å; E414-Q458 PolarHBondContact OE1-NE2 3.19Å |
| 415 | V | 80.1 | Confident | 74.6 | Confident | 65 Ų | 65 | 84.2 Ų | 84.2 | 39% | 0.394 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -65.6 | -40.2 | 177.6 | 170.9 | 0 | 0 | 0 | 0 | 110.9 | K411 H412 I413 R418 K419 | K411-V415 WeakPolarHBondContact O-CG2 3.49Å; K411-V415 PolarHBondContact O-N 3.11Å; H412-V415 PolarHBondContact O-N 2.97Å; I413-V415 VanDerWaalsContact C-N 3.33Å; I413-V415 PolarHBondContact O-N 2.9Å; V415-R418 PolarHBondContact O-N 3.03Å; V415-K419 WeakPolarHBondContact O-CG 3.46Å; V415-K419 PolarHBondContact O-N 3.49Å |
| 416 | E | 76.5 | Confident | 74.4 | Confident | 46 Ų | 46 | 87.9 Ų | 87.9 | 22% | 0.215 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -73.2 | -39 | -178 | -154.7 | 56.8 | -149.8 | 0 | 0 | 112.3 | L401 H412 I413 E414 R418 K419 F420 | L401-E416 HydrophobicContact CD1-CG 4.18Å; H412-E416 PolarHBondContact O-N 3.41Å; H412-E416 VanDerWaalsContact O-N 3.1Å; I413-E416 PolarHBondContact O-N 2.9Å; E414-E416 VanDerWaalsContact C-N 3.34Å; E416-R418 VanDerWaalsContact C-N 3.33Å; E416-R418 PolarHBondContact O-N 3.4Å; E416-K419 PolarHBondContact O-N 3.42Å; E416-K419 IonicContact OE2-NZ 3.89Å; E416-K419 PolarHBondContact OE2-NZ 2.77Å; E416-F420 WeakPolarHBondContact O-CB 3.33Å; E416-F420 PolarHBondContact O-N 3.09Å |
| 417 | V | 79.2 | Confident | 74 | Confident | 2 Ų | 2 | 84.8 Ų | 84.8 | 1% | 0.012 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -59.8 | -43.9 | 170.6 | 171.5 | 0 | 0 | 0 | 0 | 110.6 | I413 K419 F420 L421 L459 | I413-V417 HydrophobicContact CG2-CG2 4.25Å; I413-V417 WeakPolarHBondContact O-CG2 3.32Å; I413-V417 PolarHBondContact O-N 3.5Å; V417-K419 VanDerWaalsContact C-N 3.35Å; V417-K419 PolarHBondContact O-N 3.33Å; V417-F420 WeakPolarHBondContact O-CB 2.98Å; V417-F420 PolarHBondContact O-N 3.37Å; V417-L421 HydrophobicContact CG1-CD1 3.97Å; V417-L421 HydrophobicContact CG1-CG 4.28Å; V417-L421 WeakPolarHBondContact O-CG 3.41Å; V417-L421 PolarHBondContact O-N 3.39Å; V417-L459 HydrophobicContact CG1-CD2 3.87Å; V417-L459 HydrophobicContact CG1-CG 4.1Å |
| 418 | R | 80.3 | Confident | 74 | Confident | 123 Ų | 123 | 81.1 Ų | 81.1 | 46% | 0.464 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63 | -38.7 | 177.5 | -170.8 | 179.5 | -67.5 | 127.1 | 3.2 | 112.6 | E414 V415 E416 A422 | E414-R418 WeakPolarHBondContact O-CB 3.01Å; E414-R418 PolarHBondContact O-N 3.47Å; E414-R418 IonicContact OE1-CZ 3.97Å; E414-R418 IonicContact OE1-NH2 3.5Å; E414-R418 PolarHBondContact OE1-NH2 2.92Å; V415-R418 PolarHBondContact O-N 3.03Å; E416-R418 VanDerWaalsContact C-N 3.33Å; E416-R418 PolarHBondContact O-N 3.4Å; R418-A422 PolarHBondContact O-N 2.58Å |
| 419 | K | 79.8 | Confident | 74.1 | Confident | 110 Ų | 110 | 79 Ų | 79 | 48% | 0.478 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.6 | -43.1 | 173.4 | -70.9 | 178.5 | -160.8 | 155.2 | 0 | 111.3 | V415 E416 V417 A422 L423 | V415-K419 WeakPolarHBondContact O-CG 3.46Å; V415-K419 PolarHBondContact O-N 3.49Å; E416-K419 PolarHBondContact O-N 3.42Å; E416-K419 IonicContact OE2-NZ 3.89Å; E416-K419 PolarHBondContact OE2-NZ 2.77Å; V417-K419 VanDerWaalsContact C-N 3.35Å; V417-K419 PolarHBondContact O-N 3.33Å; K419-A422 WeakPolarHBondContact O-CB 3.22Å; K419-A422 PolarHBondContact O-N 2.91Å; K419-L423 PolarHBondContact O-N 2.87Å |
| 420 | F | 78.8 | Confident | 74 | Confident | 22 Ų | 22 | 78.5 Ų | 78.5 | 10% | 0.096 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -61.3 | -45.1 | 178.2 | 179.4 | -98.3 | 0 | 0 | 0 | 112.1 | L401 E416 V417 A422 L423 F429 V432 I433 | L401-F420 HydrophobicContact CD1-CB 3.63Å; L401-F420 HydrophobicContact CD1-CD2 4.43Å; L401-F420 HydrophobicContact CD1-CG 4.03Å; E416-F420 WeakPolarHBondContact O-CB 3.33Å; E416-F420 PolarHBondContact O-N 3.09Å; V417-F420 WeakPolarHBondContact O-CB 2.98Å; V417-F420 PolarHBondContact O-N 3.37Å; F420-A422 PolarHBondContact O-N 3.25Å; F420-L423 WeakPolarHBondContact O-CB 3.4Å; F420-L423 PolarHBondContact O-N 2.85Å; F420-L423 VanDerWaalsContact O-N 3.15Å; F420-F429 HydrophobicContact CD1-CE2 4.5Å; F420-F429 HydrophobicContact CE1-CD2 4.11Å; F420-F429 AromaticContact CE1-CE2 3.79Å; F420-F429 HydrophobicContact CE1-CE2 3.79Å; F420-F429 HydrophobicContact CZ-CD2 4.14Å; F420-F429 HydrophobicContact CZ-CE2 4.22Å; F420-V432 HydrophobicContact CE1-CG1 4.14Å; F420-V432 HydrophobicContact CE2-CG1 3.85Å; F420-V432 HydrophobicContact CZ-CB 4.1Å; F420-V432 HydrophobicContact CZ-CG1 3.36Å; F420-I433 HydrophobicContact CE1-CG1 4.05Å |
| 421 | L | 78.1 | Confident | 73.8 | Confident | 48 Ų | 48 | 76.7 Ų | 76.7 | 25% | 0.251 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65.4 | -21.6 | 176.9 | -66.9 | 177.5 | 0 | 0 | 0 | 113.4 | V417 F429 I433 Q458 L459 T462 | V417-L421 HydrophobicContact CG1-CD1 3.97Å; V417-L421 HydrophobicContact CG1-CG 4.28Å; V417-L421 WeakPolarHBondContact O-CG 3.41Å; V417-L421 PolarHBondContact O-N 3.39Å; L421-F429 HydrophobicContact CD2-CZ 4.14Å; L421-I433 HydrophobicContact CD2-CD1 4.44Å; L421-Q458 HydrophobicContact CD1-CB 4.3Å; L421-L459 HydrophobicContact CD2-CD2 4.42Å; L421-T462 HydrophobicContact CD1-CG2 4.33Å; L421-T462 HydrophobicContact CD2-CG2 3.5Å |
| 422 | A | 76.4 | Confident | 73.8 | Confident | 85 Ų | 85 | 69.5 Ų | 69.5 | 70% | 0.702 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -12.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114 | R418 K419 F420 | R418-A422 PolarHBondContact O-N 2.58Å; K419-A422 WeakPolarHBondContact O-CB 3.22Å; K419-A422 PolarHBondContact O-N 2.91Å; F420-A422 PolarHBondContact O-N 3.25Å |
| 423 | L | 75.8 | Confident | 73.9 | Confident | 96 Ų | 96 | 65.7 Ų | 65.7 | 50% | 0.503 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -75.2 | 151.4 | 174.3 | -80.8 | 131.8 | 0 | 0 | 0 | 111.1 | K419 F420 Q425 | K419-L423 PolarHBondContact O-N 2.87Å; F420-L423 WeakPolarHBondContact O-CB 3.4Å; F420-L423 PolarHBondContact O-N 2.85Å; F420-L423 VanDerWaalsContact O-N 3.15Å; L423-Q425 PolarHBondContact O-N 3.13Å |
| 424 | K | 60.8 | Low | 74 | Confident | 198 Ų | 198 | 65.6 Ų | 65.6 | 86% | 0.861 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -60.1 | 132.2 | 179.2 | -76.7 | -175.7 | 175.1 | -178 | 0 | 110.8 | T426 | K424-T426 PolarHBondContact O-N 2.81Š|
| 425 | Q | 64.8 | Low | 74 | Confident | 154 Ų | 154 | 66.9 Ų | 66.9 | 72% | 0.72 | 35% | 0.347 | S | S | * | . | P | Polyproline II helix | trans | -55.2 | 118 | 176.3 | -68.1 | 176.5 | -6.7 | 0 | 0 | 110.8 | L423 F429 | L423-Q425 PolarHBondContact O-N 3.13Å; Q425-F429 HydrophobicContact CG-CD1 4.03Å; Q425-F429 HydrophobicContact CG-CE1 3.94Å; Q425-F429 HydrophobicContact CG-CG 4.39Å; Q425-F429 HydrophobicContact CG-CZ 4.23Å |
| 426 | T | 65.8 | Low | 74 | Confident | 80 Ų | 80 | 63.9 Ų | 63.9 | 49% | 0.491 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -94.5 | 158.9 | 171.9 | 50.2 | 0 | 0 | 0 | 0 | 110.1 | K424 D428 F429 | K424-T426 PolarHBondContact O-N 2.81Å; T426-D428 PolarHBondContact O-N 3.15Å; T426-D428 VanDerWaalsContact O-N 3.09Å; T426-F429 WeakPolarHBondContact O-CB 3.41Å; T426-F429 PolarHBondContact O-N 2.89Å |
| 427 | P | 59.2 | Low | 74.3 | Confident | 84 Ų | 84 | 61.8 Ų | 61.8 | 55% | 0.545 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -23.4 | 177.1 | 23.5 | -34.2 | 0 | 0 | 0 | 113.8 | N361 F429 | N361-P427 PolarHBondContact ND2-O 3.16Å; P427-F429 VanDerWaalsContact C-N 3.3Å; P427-F429 PolarHBondContact O-N 2.84Å |
| 428 | D | 65.9 | Low | 74.5 | Confident | 97 Ų | 97 | 63 Ų | 63 | 52% | 0.519 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 10.4 | 175 | -57.8 | -36.2 | 0 | 0 | 0 | 113.3 | T426 H430 T431 V432 | T426-D428 PolarHBondContact O-N 3.15Å; T426-D428 VanDerWaalsContact O-N 3.09Å; D428-H430 PolarHBondContact O-N 3.07Å; D428-T431 PolarHBondContact O-N 3.3Å; D428-T431 PolarHBondContact O-OG1 3.1Å; D428-V432 VanDerWaalsContact O-CG2 3.28Å; D428-V432 WeakPolarHBondContact O-CG2 3.45Å; D428-V432 PolarHBondContact O-N 2.99Å; D428-V432 VanDerWaalsContact O-N 3.11Å |
| 429 | F | 73.3 | Confident | 74.5 | Confident | 13 Ų | 13 | 58.1 Ų | 58.1 | 6% | 0.057 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.9 | -37.4 | -175.2 | -173.4 | -113.4 | 0 | 0 | 0 | 112.6 | F420 L421 Q425 T426 P427 I433 V464 | F420-F429 HydrophobicContact CD1-CE2 4.5Å; F420-F429 HydrophobicContact CE1-CD2 4.11Å; F420-F429 AromaticContact CE1-CE2 3.79Å; F420-F429 HydrophobicContact CE1-CE2 3.79Å; F420-F429 HydrophobicContact CZ-CD2 4.14Å; F420-F429 HydrophobicContact CZ-CE2 4.22Å; L421-F429 HydrophobicContact CD2-CZ 4.14Å; Q425-F429 HydrophobicContact CG-CD1 4.03Å; Q425-F429 HydrophobicContact CG-CE1 3.94Å; Q425-F429 HydrophobicContact CG-CG 4.39Å; Q425-F429 HydrophobicContact CG-CZ 4.23Å; T426-F429 WeakPolarHBondContact O-CB 3.41Å; T426-F429 PolarHBondContact O-N 2.89Å; P427-F429 VanDerWaalsContact C-N 3.3Å; P427-F429 PolarHBondContact O-N 2.84Å; F429-I433 HydrophobicContact CD1-CD1 3.61Å; F429-I433 HydrophobicContact CD2-CD1 4.1Å; F429-I433 HydrophobicContact CE1-CD1 3.23Å; F429-I433 HydrophobicContact CE1-CG1 4.49Å; F429-I433 HydrophobicContact CE2-CD1 3.77Å; F429-I433 HydrophobicContact CE2-CG1 4.37Å; F429-I433 HydrophobicContact CG-CD1 4.04Å; F429-I433 HydrophobicContact CZ-CD1 3.34Å; F429-I433 HydrophobicContact CZ-CG1 4.38Å; F429-I433 WeakPolarHBondContact O-CB 3.48Å; F429-I433 VanDerWaalsContact O-CG1 3.31Å; F429-I433 WeakPolarHBondContact O-CG1 3.47Å; F429-I433 PolarHBondContact O-N 3.46Å; F429-V464 HydrophobicContact CD1-CG1 4.41Å; F429-V464 HydrophobicContact CD1-CG2 4.19Å; F429-V464 HydrophobicContact CE1-CG2 4.06Å |
| 430 | H | 72.5 | Confident | 74.7 | Confident | 64 Ų | 64 | 52.9 Ų | 52.9 | 30% | 0.296 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.9 | -43.3 | 177.2 | -70.2 | -94 | 0 | 0 | 0 | 112.6 | D428 G434 V464 | D428-H430 PolarHBondContact O-N 3.07Å; H430-G434 PolarHBondContact O-N 3.28Å; H430-V464 HydrophobicContact CB-CG1 4.1Å; H430-V464 WeakPolarHBondContact ND1-CG1 3.42Å; H430-V464 PolarHBondContact ND1-O 3.49Å |
| 431 | T | 72.4 | Confident | 74.9 | Confident | 35 Ų | 35 | 51.9 Ų | 51.9 | 22% | 0.215 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -70.9 | -42.7 | -179.1 | 50.4 | 0 | 0 | 0 | 0 | 111.1 | F359 D428 I433 G434 D435 | F359-T431 HydrophobicContact CB-CG2 3.78Å; F359-T431 HydrophobicContact CD2-CG2 4.5Å; F359-T431 HydrophobicContact CG-CG2 4.3Å; D428-T431 PolarHBondContact O-N 3.3Å; D428-T431 PolarHBondContact O-OG1 3.1Å; T431-I433 PolarHBondContact O-N 3.33Å; T431-G434 PolarHBondContact O-N 3.08Å; T431-D435 WeakPolarHBondContact O-CB 3.37Å; T431-D435 VanDerWaalsContact O-CG 3.29Å; T431-D435 PolarHBondContact O-N 2.68Å |
| 432 | V | 76.6 | Confident | 75.2 | Confident | 20 Ų | 20 | 55.1 Ų | 55.1 | 12% | 0.121 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.2 | -39.7 | 178.8 | 177 | 0 | 0 | 0 | 0 | 111.9 | F420 D428 T436 | F420-V432 HydrophobicContact CE1-CG1 4.14Å; F420-V432 HydrophobicContact CE2-CG1 3.85Å; F420-V432 HydrophobicContact CZ-CB 4.1Å; F420-V432 HydrophobicContact CZ-CG1 3.36Å; D428-V432 VanDerWaalsContact O-CG2 3.28Å; D428-V432 WeakPolarHBondContact O-CG2 3.45Å; D428-V432 PolarHBondContact O-N 2.99Å; D428-V432 VanDerWaalsContact O-N 3.11Å; V432-T436 VanDerWaalsContact O-CB 3.27Å; V432-T436 WeakPolarHBondContact O-CB 3.47Å; V432-T436 PolarHBondContact O-N 3.06Å; V432-T436 PolarHBondContact O-OG1 2.84Å |
| 433 | I | 78.9 | Confident | 75.4 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.9 | -43.3 | 174.7 | -70.3 | 176 | 0 | 0 | 0 | 110.7 | F420 L421 F429 T431 D435 T436 V437 L459 T462 V464 L465 | F420-I433 HydrophobicContact CE1-CG1 4.05Å; L421-I433 HydrophobicContact CD2-CD1 4.44Å; F429-I433 HydrophobicContact CD1-CD1 3.61Å; F429-I433 HydrophobicContact CD2-CD1 4.1Å; F429-I433 HydrophobicContact CE1-CD1 3.23Å; F429-I433 HydrophobicContact CE1-CG1 4.49Å; F429-I433 HydrophobicContact CE2-CD1 3.77Å; F429-I433 HydrophobicContact CE2-CG1 4.37Å; F429-I433 HydrophobicContact CG-CD1 4.04Å; F429-I433 HydrophobicContact CZ-CD1 3.34Å; F429-I433 HydrophobicContact CZ-CG1 4.38Å; F429-I433 WeakPolarHBondContact O-CB 3.48Å; F429-I433 VanDerWaalsContact O-CG1 3.31Å; F429-I433 WeakPolarHBondContact O-CG1 3.47Å; F429-I433 PolarHBondContact O-N 3.46Å; T431-I433 PolarHBondContact O-N 3.33Å; I433-D435 PolarHBondContact O-N 2.65Å; I433-T436 WeakPolarHBondContact O-CB 3.39Å; I433-T436 PolarHBondContact O-N 2.98Å; I433-V437 HydrophobicContact CG2-CG2 4.48Å; I433-V437 WeakPolarHBondContact O-CG2 3.4Å; I433-V437 PolarHBondContact O-N 3.23Å; I433-L459 HydrophobicContact CG2-CD2 4.31Å; I433-T462 HydrophobicContact CD1-CG2 4.43Å; I433-V464 HydrophobicContact CD1-CB 4.41Å; I433-V464 HydrophobicContact CD1-CG1 4.04Å; I433-L465 HydrophobicContact CG2-CD1 4.18Å; I433-L465 HydrophobicContact CG2-CD2 3.72Å; I433-L465 HydrophobicContact CG2-CG 3.89Å |
| 434 | G | 79.3 | Confident | 75.7 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59 | -45.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | H430 T431 T436 V437 T438 | H430-G434 PolarHBondContact O-N 3.28Å; T431-G434 PolarHBondContact O-N 3.08Å; G434-T436 VanDerWaalsContact C-N 3.34Å; G434-T436 PolarHBondContact O-N 3.13Å; G434-V437 PolarHBondContact O-N 2.89Å; G434-T438 WeakPolarHBondContact O-CB 3.25Å; G434-T438 PolarHBondContact O-N 3.2Å; G434-T438 PolarHBondContact O-OG1 3.42Å |
| 435 | D | 78.8 | Confident | 76.8 | Confident | 63 Ų | 63 | 44.6 Ų | 44.6 | 34% | 0.337 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.3 | -39.2 | 176.7 | -71 | -25.7 | 0 | 0 | 0 | 111.7 | F359 L402 T431 I433 T438 G439 | F359-D435 VanDerWaalsContact CE2-OD1 3.26Å; F359-D435 WeakPolarHBondContact CE2-OD1 3.44Å; L402-D435 HydrophobicContact CD1-CB 4.45Å; L402-D435 HydrophobicContact CD2-CB 4.39Å; T431-D435 WeakPolarHBondContact O-CB 3.37Å; T431-D435 VanDerWaalsContact O-CG 3.29Å; T431-D435 PolarHBondContact O-N 2.68Å; I433-D435 PolarHBondContact O-N 2.65Å; D435-T438 PolarHBondContact O-N 3.44Å; D435-G439 PolarHBondContact O-N 2.88Å |
| 436 | T | 80.6 | Confident | 77.6 | Confident | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.012 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.5 | -48.2 | 176.5 | -63.3 | 0 | 0 | 0 | 0 | 111.6 | L401 I405 V432 I433 G434 T438 G439 L440 L459 | L401-T436 HydrophobicContact CD2-CG2 3.43Å; L401-T436 VanDerWaalsContact CD2-CG2 3.43Å; L401-T436 VanDerWaalsContact CD2-OG1 3.26Å; L401-T436 WeakPolarHBondContact CD2-OG1 3.33Å; I405-T436 HydrophobicContact CD1-CG2 3.77Å; V432-T436 VanDerWaalsContact O-CB 3.27Å; V432-T436 WeakPolarHBondContact O-CB 3.47Å; V432-T436 PolarHBondContact O-N 3.06Å; V432-T436 PolarHBondContact O-OG1 2.84Å; I433-T436 WeakPolarHBondContact O-CB 3.39Å; I433-T436 PolarHBondContact O-N 2.98Å; G434-T436 VanDerWaalsContact C-N 3.34Å; G434-T436 PolarHBondContact O-N 3.13Å; T436-T438 VanDerWaalsContact C-N 3.34Å; T436-G439 PolarHBondContact O-N 3.43Å; T436-L440 HydrophobicContact CG2-CD1 4.23Å; T436-L440 WeakPolarHBondContact O-CG 3.45Å; T436-L440 PolarHBondContact O-N 3.16Å; T436-L459 HydrophobicContact CG2-CD1 4.32Å |
| 437 | V | 83.4 | Confident | 78.3 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.8 | -43.8 | 176.6 | 171.9 | 0 | 0 | 0 | 0 | 110.2 | I433 G434 G439 L440 L441 L459 L465 C470 | I433-V437 HydrophobicContact CG2-CG2 4.48Å; I433-V437 WeakPolarHBondContact O-CG2 3.4Å; I433-V437 PolarHBondContact O-N 3.23Å; G434-V437 PolarHBondContact O-N 2.89Å; V437-G439 PolarHBondContact O-N 2.85Å; V437-L440 PolarHBondContact O-N 3.45Å; V437-L441 HydrophobicContact CG1-CD1 3.58Å; V437-L441 HydrophobicContact CG1-CG 4.16Å; V437-L441 WeakPolarHBondContact O-CB 3.5Å; V437-L441 WeakPolarHBondContact O-CG 3.47Å; V437-L441 PolarHBondContact O-N 3.23Å; V437-L459 HydrophobicContact CG2-CB 4.27Å; V437-L459 HydrophobicContact CG2-CD1 3.82Å; V437-L465 HydrophobicContact CG2-CD1 3.86Å; V437-L465 HydrophobicContact CG2-CD2 4.25Å; V437-C470 HydrophobicContact CG1-CB 3.75Å |
| 438 | T | 83.1 | Confident | 79.2 | Confident | 29 Ų | 29 | 41.7 Ų | 41.7 | 18% | 0.178 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.5 | -46.9 | 177.8 | -54.8 | 0 | 0 | 0 | 0 | 111.1 | G434 D435 T436 L440 L441 E442 | G434-T438 WeakPolarHBondContact O-CB 3.25Å; G434-T438 PolarHBondContact O-N 3.2Å; G434-T438 PolarHBondContact O-OG1 3.42Å; D435-T438 PolarHBondContact O-N 3.44Å; T436-T438 VanDerWaalsContact C-N 3.34Å; T438-L440 PolarHBondContact O-N 3.14Å; T438-L441 PolarHBondContact O-N 3.02Å; T438-E442 HydrophobicContact CG2-CG 4.46Å; T438-E442 WeakPolarHBondContact O-CG 3.47Å; T438-E442 PolarHBondContact O-N 3.26Å |
| 439 | G | 80.4 | Confident | 79.8 | Confident | 19 Ų | 19 | 42.8 Ų | 42.8 | 20% | 0.196 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.9 | -40.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | D435 T436 V437 L441 R443 | D435-G439 PolarHBondContact O-N 2.88Å; T436-G439 PolarHBondContact O-N 3.43Å; V437-G439 PolarHBondContact O-N 2.85Å; G439-L441 VanDerWaalsContact C-N 3.35Å; G439-R443 PolarHBondContact O-N 3.04Å; G439-R443 VanDerWaalsContact O-N 3.13Å |
| 440 | L | 83.1 | Confident | 80.3 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.3 | -41 | 174.2 | -72.4 | 169 | 0 | 0 | 0 | 111.6 | I405 I413 T436 V437 T438 R443 C444 P452 L459 | I405-L440 HydrophobicContact CD1-CD2 4.34Å; I405-L440 HydrophobicContact CD1-CG 4.18Å; I405-L440 HydrophobicContact CG1-CD2 4.02Å; I405-L440 HydrophobicContact CG1-CG 4.4Å; I405-L440 HydrophobicContact CG2-CD2 3.8Å; I405-L440 HydrophobicContact CG2-CG 4.13Å; I413-L440 HydrophobicContact CG2-CD2 3.89Å; T436-L440 HydrophobicContact CG2-CD1 4.23Å; T436-L440 WeakPolarHBondContact O-CG 3.45Å; T436-L440 PolarHBondContact O-N 3.16Å; V437-L440 PolarHBondContact O-N 3.45Å; T438-L440 PolarHBondContact O-N 3.14Å; L440-R443 PolarHBondContact O-N 3.28Å; L440-C444 PolarHBondContact O-N 3.3Å; L440-C444 PolarHBondContact O-SG 3.17Å; L440-P452 HydrophobicContact CD2-CG 4.17Å; L440-L459 HydrophobicContact CD1-CD1 3.74Å |
| 441 | L | 83.9 | Confident | 80.9 | Confident | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -73.9 | -37.3 | -179 | -65.3 | 170.5 | 0 | 0 | 0 | 112.2 | V437 T438 G439 R443 C444 K445 L456 D472 L473 I476 | V437-L441 HydrophobicContact CG1-CD1 3.58Å; V437-L441 HydrophobicContact CG1-CG 4.16Å; V437-L441 WeakPolarHBondContact O-CB 3.5Å; V437-L441 WeakPolarHBondContact O-CG 3.47Å; V437-L441 PolarHBondContact O-N 3.23Å; T438-L441 PolarHBondContact O-N 3.02Å; G439-L441 VanDerWaalsContact C-N 3.35Å; L441-R443 VanDerWaalsContact C-N 3.28Å; L441-R443 PolarHBondContact O-N 3.04Å; L441-C444 WeakPolarHBondContact O-CB 3.31Å; L441-C444 PolarHBondContact O-N 2.77Å; L441-C444 VanDerWaalsContact O-N 3.16Å; L441-K445 WeakPolarHBondContact O-CG 3.4Å; L441-K445 PolarHBondContact O-N 3.31Å; L441-L456 HydrophobicContact CD2-CD2 4.5Å; L441-D472 HydrophobicContact CD1-CB 3.96Å; L441-L473 HydrophobicContact CD1-CB 3.83Å; L441-L473 HydrophobicContact CD1-CD1 4.27Å; L441-L473 HydrophobicContact CD2-CD1 3.77Å; L441-I476 HydrophobicContact CB-CD1 3.98Å; L441-I476 HydrophobicContact CD2-CD1 3.62Å; L441-I476 HydrophobicContact CG-CD1 4.32Å |
| 442 | E | 83.4 | Confident | 81.4 | Confident | 116 Ų | 116 | 40.4 Ų | 40.4 | 54% | 0.542 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -58.6 | -42.4 | 171.3 | -76.6 | -174.5 | 168.4 | 0 | 0 | 110.9 | T438 K445 A446 | T438-E442 HydrophobicContact CG2-CG 4.46Å; T438-E442 WeakPolarHBondContact O-CG 3.47Å; T438-E442 PolarHBondContact O-N 3.26Å; E442-K445 PolarHBondContact O-N 3.49Å; E442-A446 PolarHBondContact O-N 2.64Å |
| 443 | R | 81.1 | Confident | 81.7 | Confident | 37 Ų | 37 | 42.7 Ų | 42.7 | 14% | 0.14 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66 | -40.7 | 172.8 | -171.2 | 171.9 | 175.6 | -174.7 | -0.2 | 112.6 | I405 D408 G439 L440 L441 K445 A446 E447 F450 | I405-R443 WeakPolarHBondContact O-CD 3.36Å; I405-R443 PolarHBondContact O-NH1 3.4Å; D408-R443 PolarHBondContact O-NH1 2.87Å; D408-R443 PolarHBondContact O-NH2 3.25Å; D408-R443 VanDerWaalsContact O-NH2 3.14Å; G439-R443 PolarHBondContact O-N 3.04Å; G439-R443 VanDerWaalsContact O-N 3.13Å; L440-R443 PolarHBondContact O-N 3.28Å; L441-R443 VanDerWaalsContact C-N 3.28Å; L441-R443 PolarHBondContact O-N 3.04Å; R443-K445 PolarHBondContact O-N 3.43Å; R443-A446 PolarHBondContact O-N 3.34Å; R443-A446 VanDerWaalsContact O-N 3.17Å; R443-E447 IonicContact CZ-OE2 3.77Å; R443-E447 IonicContact NE-OE2 3.69Å; R443-E447 PolarHBondContact NE-OE2 3.36Å; R443-E447 IonicContact NH2-OE2 2.73Å; R443-E447 PolarHBondContact NH2-OE2 2.96Å; R443-E447 PolarHBondContact O-N 3.4Å; R443-F450 HydrophobicContact CB-CD1 4.37Å; R443-F450 HydrophobicContact CB-CE1 4.33Å; R443-F450 HydrophobicContact CG-CD1 3.82Å; R443-F450 HydrophobicContact CG-CE1 4.01Å |
| 444 | C | 83.4 | Confident | 81.9 | Confident | 12 Ų | 12 | 46.5 Ų | 46.5 | 8% | 0.081 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.4 | -35.4 | 173.8 | -66.2 | 0 | 0 | 0 | 0 | 112.6 | L440 L441 E447 P452 I476 | L440-C444 PolarHBondContact O-N 3.3Å; L440-C444 PolarHBondContact O-SG 3.17Å; L441-C444 WeakPolarHBondContact O-CB 3.31Å; L441-C444 PolarHBondContact O-N 2.77Å; L441-C444 VanDerWaalsContact O-N 3.16Å; C444-E447 CarbonylContact O-C 3.59Å; C444-P452 WeakPolarHBondContact SG-CD 3.37Å; C444-I476 HydrophobicContact CB-CD1 4.37Å |
| 445 | K | 81.9 | Confident | 82.1 | Confident | 108 Ų | 108 | 46.5 Ų | 46.5 | 47% | 0.47 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -71.2 | -38.1 | 175.9 | -71.8 | 176.9 | 176.6 | -178.2 | 0 | 111.7 | L441 E442 R443 D472 I476 | L441-K445 WeakPolarHBondContact O-CG 3.4Å; L441-K445 PolarHBondContact O-N 3.31Å; E442-K445 PolarHBondContact O-N 3.49Å; R443-K445 PolarHBondContact O-N 3.43Å; K445-D472 IonicContact NZ-OD1 2.89Å; K445-D472 PolarHBondContact NZ-OD1 2.83Å; K445-D472 IonicContact NZ-OD2 3.99Å; K445-D472 PolarHBondContact NZ-OD2 3.44Å; K445-I476 HydrophobicContact CG-CD1 4.01Å |
| 446 | A | 81.8 | Confident | 82.4 | Confident | 80 Ų | 80 | 43.6 Ų | 43.6 | 66% | 0.661 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -74.8 | -36.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | E442 R443 | E442-A446 PolarHBondContact O-N 2.64Å; R443-A446 PolarHBondContact O-N 3.34Å; R443-A446 VanDerWaalsContact O-N 3.17Å |
| 447 | E | 82.1 | Confident | 82.6 | Confident | 83 Ų | 83 | 44.3 Ų | 44.3 | 39% | 0.388 | 25% | 0.246 | S | C | . | . | trans | -122.1 | 91.9 | -175.6 | -64.9 | -178.3 | 167.5 | 0 | 0 | 110.9 | R443 C444 S449 F450 | R443-E447 IonicContact CZ-OE2 3.77Å; R443-E447 IonicContact NE-OE2 3.69Å; R443-E447 PolarHBondContact NE-OE2 3.36Å; R443-E447 IonicContact NH2-OE2 2.73Å; R443-E447 PolarHBondContact NH2-OE2 2.96Å; R443-E447 PolarHBondContact O-N 3.4Å; C444-E447 CarbonylContact O-C 3.59Å; E447-S449 PolarHBondContact O-N 3.07Å; E447-F450 HydrophobicContact CB-CB 3.91Å; E447-F450 PolarHBondContact O-N 2.83Å | ||
| 448 | P | 78.1 | Confident | 82.6 | Confident | 94 Ų | 94 | 46.1 Ų | 46.1 | 61% | 0.61 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -19.7 | -174.6 | -25.4 | 34.1 | 0 | 0 | 0 | 115.7 | K480 | P448-K480 PolarHBondContact O-NZ 3.2Š|
| 449 | S | 78.5 | Confident | 82.6 | Confident | 121 Ų | 121 | 44.8 Ų | 44.8 | 85% | 0.846 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -17 | 176 | 52.4 | 0 | 0 | 0 | 0 | 113.6 | E447 | E447-S449 PolarHBondContact O-N 3.07Š|
| 450 | F | 82.9 | Confident | 82.8 | Confident | 19 Ų | 19 | 43.9 Ų | 43.9 | 8% | 0.083 | 24% | 0.237 | C | C | . | . | trans | -93.8 | 115.6 | 179.4 | 179.7 | -100.7 | 0 | 0 | 0 | 109.6 | E410 I413 R443 E447 P452 | E410-F450 HydrophobicContact CB-CE2 4.04Å; I413-F450 HydrophobicContact CD1-CE2 4.17Å; I413-F450 HydrophobicContact CD1-CZ 3.75Å; R443-F450 HydrophobicContact CB-CD1 4.37Å; R443-F450 HydrophobicContact CB-CE1 4.33Å; R443-F450 HydrophobicContact CG-CD1 3.82Å; R443-F450 HydrophobicContact CG-CE1 4.01Å; E447-F450 HydrophobicContact CB-CB 3.91Å; E447-F450 PolarHBondContact O-N 2.83Å; F450-P452 HydrophobicContact CE1-CB 4.33Å; F450-P452 HydrophobicContact CE1-CG 3.8Å; F450-P452 HydrophobicContact CZ-CB 4.07Å; F450-P452 HydrophobicContact CZ-CG 4.04Å | ||
| 451 | Y | 84.8 | Confident | 82.8 | Confident | 42 Ų | 42 | 49 Ų | 49 | 17% | 0.165 | 26% | 0.261 | C | S | . | . | trans | -143 | 93.7 | 177.9 | -177.6 | -112.4 | 0 | 0 | 0 | 110.2 | R453 L456 I476 K480 D482 L485 | Y451-R453 HydrophobicContact CD1-CB 3.91Å; Y451-R453 HydrophobicContact CE1-CB 3.68Å; Y451-R453 HydrophobicContact CE1-CG 3.85Å; Y451-R453 PolarHBondContact O-N 3.14Å; Y451-L456 HydrophobicContact CE2-CD1 4.08Å; Y451-I476 HydrophobicContact CE2-CG2 4.26Å; Y451-K480 HydrophobicContact CE2-CG 4.45Å; Y451-D482 VanDerWaalsContact CE1-OD2 3.3Å; Y451-D482 WeakPolarHBondContact CE1-OD2 3.44Å; Y451-D482 VanDerWaalsContact OH-CB 3.31Å; Y451-D482 WeakPolarHBondContact OH-CB 3.3Å; Y451-D482 PolarHBondContact OH-OD2 3.43Å; Y451-L485 WeakPolarHBondContact OH-CD2 3.44Å | ||
| 452 | P | 83.3 | Confident | 82.6 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | trans | -81.1 | 64.7 | -171.2 | 34.7 | -35.8 | 0 | 0 | 0 | 111.3 | E410 L440 C444 F450 N454 C455 L456 | E410-P452 HydrophobicContact CG-CB 4.24Å; L440-P452 HydrophobicContact CD2-CG 4.17Å; C444-P452 WeakPolarHBondContact SG-CD 3.37Å; F450-P452 HydrophobicContact CE1-CB 4.33Å; F450-P452 HydrophobicContact CE1-CG 3.8Å; F450-P452 HydrophobicContact CZ-CB 4.07Å; F450-P452 HydrophobicContact CZ-CG 4.04Å; P452-N454 VanDerWaalsContact C-N 3.35Å; P452-N454 PolarHBondContact O-N 3.32Å; P452-C455 HydrophobicContact CB-CB 4.09Å; P452-C455 WeakPolarHBondContact O-CB 3.24Å; P452-C455 PolarHBondContact O-N 3.34Å; P452-C455 VanDerWaalsContact O-N 3.09Å; P452-L456 HydrophobicContact CG-CG 4.48Å; P452-L456 WeakPolarHBondContact O-CG 3.49Å; P452-L456 PolarHBondContact O-N 3.24Å | ||
| 453 | R | 83 | Confident | 82.4 | Confident | 69 Ų | 69 | 51.4 Ų | 51.4 | 26% | 0.26 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -53.2 | -47.9 | -171.9 | -171.2 | 178 | -170 | -107.7 | 3.7 | 113.1 | Y451 C455 L456 V457 D482 | Y451-R453 HydrophobicContact CD1-CB 3.91Å; Y451-R453 HydrophobicContact CE1-CB 3.68Å; Y451-R453 HydrophobicContact CE1-CG 3.85Å; Y451-R453 PolarHBondContact O-N 3.14Å; R453-C455 VanDerWaalsContact C-N 3.32Å; R453-C455 PolarHBondContact O-N 2.79Å; R453-L456 PolarHBondContact O-N 2.65Å; R453-V457 WeakPolarHBondContact O-CG2 3.37Å; R453-V457 PolarHBondContact O-N 3.22Å; R453-D482 WeakPolarHBondContact CD-OD2 3.44Å; R453-D482 WeakPolarHBondContact CG-OD2 3.45Å; R453-D482 IonicContact CZ-OD1 3.74Å; R453-D482 IonicContact CZ-OD2 3.71Å; R453-D482 IonicContact NE-OD1 2.7Å; R453-D482 PolarHBondContact NE-OD1 3.31Å; R453-D482 IonicContact NE-OD2 3.01Å; R453-D482 PolarHBondContact NE-OD2 3.46Å; R453-D482 IonicContact NH2-OD1 3.51Å; R453-D482 PolarHBondContact NH2-OD1 3.07Å; R453-D482 IonicContact NH2-OD2 2.79Å |
| 454 | N | 83.1 | Confident | 82.2 | Confident | 80 Ų | 80 | 50.6 Ų | 50.6 | 43% | 0.428 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.4 | -35.4 | -178.6 | -66.8 | -21.7 | 0 | 0 | 0 | 112.4 | P452 Q458 | P452-N454 VanDerWaalsContact C-N 3.35Å; P452-N454 PolarHBondContact O-N 3.32Å; N454-Q458 VanDerWaalsContact O-CG 3.29Å; N454-Q458 WeakPolarHBondContact O-CG 3.28Å; N454-Q458 PolarHBondContact O-N 3.22Å; N454-Q458 VanDerWaalsContact O-N 3.07Å |
| 455 | C | 83.3 | Confident | 82.1 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.3 | -44.9 | 176.6 | -59.9 | 0 | 0 | 0 | 0 | 110.5 | E414 P452 R453 V457 Q458 L459 | E414-C455 WeakPolarHBondContact CA-SG 3.32Å; P452-C455 HydrophobicContact CB-CB 4.09Å; P452-C455 WeakPolarHBondContact O-CB 3.24Å; P452-C455 PolarHBondContact O-N 3.34Å; P452-C455 VanDerWaalsContact O-N 3.09Å; R453-C455 VanDerWaalsContact C-N 3.32Å; R453-C455 PolarHBondContact O-N 2.79Å; C455-V457 PolarHBondContact O-N 3.06Å; C455-Q458 PolarHBondContact O-N 2.82Å; C455-L459 WeakPolarHBondContact O-CB 3.48Å; C455-L459 VanDerWaalsContact O-CG 3.25Å; C455-L459 WeakPolarHBondContact O-CG 3.42Å; C455-L459 PolarHBondContact O-N 3.01Å |
| 456 | L | 84.9 | Confident | 82.3 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 178.5 | -64.5 | 175.9 | 0 | 0 | 0 | 111.6 | L441 Y451 P452 R453 L459 I460 L473 L485 | L441-L456 HydrophobicContact CD2-CD2 4.5Å; Y451-L456 HydrophobicContact CE2-CD1 4.08Å; P452-L456 HydrophobicContact CG-CG 4.48Å; P452-L456 WeakPolarHBondContact O-CG 3.49Å; P452-L456 PolarHBondContact O-N 3.24Å; R453-L456 PolarHBondContact O-N 2.65Å; L456-L459 PolarHBondContact O-N 3.48Å; L456-I460 WeakPolarHBondContact O-CD1 3.16Å; L456-I460 VanDerWaalsContact O-CG1 3.27Å; L456-I460 WeakPolarHBondContact O-CG1 3.28Å; L456-I460 PolarHBondContact O-N 3.37Å; L456-L473 HydrophobicContact CD1-CD1 3.99Å; L456-L473 HydrophobicContact CD2-CD1 3.83Å; L456-L473 HydrophobicContact CG-CD1 4.34Å; L456-L485 HydrophobicContact CB-CD1 3.93Å; L456-L485 HydrophobicContact CB-CD2 4.38Å; L456-L485 HydrophobicContact CD1-CD2 4.06Å |
| 457 | V | 85.3 | Confident | 82.4 | Confident | 17 Ų | 17 | 44.5 Ų | 44.5 | 10% | 0.103 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.8 | -46.2 | 175.3 | 171 | 0 | 0 | 0 | 0 | 111.5 | R453 C455 L459 I460 Q461 L485 L488 | R453-V457 WeakPolarHBondContact O-CG2 3.37Å; R453-V457 PolarHBondContact O-N 3.22Å; C455-V457 PolarHBondContact O-N 3.06Å; V457-L459 VanDerWaalsContact C-N 3.33Å; V457-L459 PolarHBondContact O-N 3.46Å; V457-I460 PolarHBondContact O-N 3.14Å; V457-Q461 WeakPolarHBondContact O-CB 3.33Å; V457-Q461 VanDerWaalsContact O-CG 3.28Å; V457-Q461 WeakPolarHBondContact O-CG 3.35Å; V457-Q461 PolarHBondContact O-N 3.14Å; V457-L485 HydrophobicContact CG2-CD1 3.88Å; V457-L488 HydrophobicContact CB-CD1 4.37Å; V457-L488 HydrophobicContact CG1-CD1 3.82Å; V457-L488 HydrophobicContact CG2-CD1 4.01Å |
| 458 | Q | 82.5 | Confident | 82.4 | Confident | 39 Ų | 39 | 44.9 Ų | 44.9 | 18% | 0.182 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.6 | -38.6 | 177.7 | -74.7 | 171.7 | 17.2 | 0 | 0 | 112.4 | E414 L421 N454 C455 | E414-Q458 PolarHBondContact OE1-NE2 3.19Å; L421-Q458 HydrophobicContact CD1-CB 4.3Å; N454-Q458 VanDerWaalsContact O-CG 3.29Å; N454-Q458 WeakPolarHBondContact O-CG 3.28Å; N454-Q458 PolarHBondContact O-N 3.22Å; N454-Q458 VanDerWaalsContact O-N 3.07Å; C455-Q458 PolarHBondContact O-N 2.82Å |
| 459 | L | 83.7 | Confident | 82.4 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69.9 | -39.7 | 178.3 | -70.4 | 167.3 | 0 | 0 | 0 | 112 | V417 L421 I433 T436 V437 L440 C455 L456 V457 T462 L465 | V417-L459 HydrophobicContact CG1-CD2 3.87Å; V417-L459 HydrophobicContact CG1-CG 4.1Å; L421-L459 HydrophobicContact CD2-CD2 4.42Å; I433-L459 HydrophobicContact CG2-CD2 4.31Å; T436-L459 HydrophobicContact CG2-CD1 4.32Å; V437-L459 HydrophobicContact CG2-CB 4.27Å; V437-L459 HydrophobicContact CG2-CD1 3.82Å; L440-L459 HydrophobicContact CD1-CD1 3.74Å; C455-L459 WeakPolarHBondContact O-CB 3.48Å; C455-L459 VanDerWaalsContact O-CG 3.25Å; C455-L459 WeakPolarHBondContact O-CG 3.42Å; C455-L459 PolarHBondContact O-N 3.01Å; L456-L459 PolarHBondContact O-N 3.48Å; V457-L459 VanDerWaalsContact C-N 3.33Å; V457-L459 PolarHBondContact O-N 3.46Å; L459-T462 WeakPolarHBondContact O-CB 3.38Å; L459-T462 WeakPolarHBondContact O-CG2 3.32Å; L459-T462 PolarHBondContact O-N 3.29Å; L459-T462 PolarHBondContact O-OG1 2.85Å; L459-L465 HydrophobicContact CB-CD1 4.28Å |
| 460 | I | 84.3 | Confident | 82.6 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.6 | -48.7 | 175.2 | -67.9 | 160.8 | 0 | 0 | 0 | 109.9 | L456 V457 T462 H463 L465 L473 L485 L488 Q492 | L456-I460 WeakPolarHBondContact O-CD1 3.16Å; L456-I460 VanDerWaalsContact O-CG1 3.27Å; L456-I460 WeakPolarHBondContact O-CG1 3.28Å; L456-I460 PolarHBondContact O-N 3.37Å; V457-I460 PolarHBondContact O-N 3.14Å; I460-T462 PolarHBondContact O-N 3.49Å; I460-H463 PolarHBondContact O-N 3.32Å; I460-L465 HydrophobicContact CG1-CD1 4.41Å; I460-L473 HydrophobicContact CD1-CD2 4.05Å; I460-L473 HydrophobicContact CG1-CD2 4.12Å; I460-L485 HydrophobicContact CD1-CD1 3.29Å; I460-L485 HydrophobicContact CD1-CG 3.94Å; I460-L488 HydrophobicContact CG2-CB 4.06Å; I460-Q492 HydrophobicContact CG2-CB 4.43Å; I460-Q492 HydrophobicContact CG2-CG 4.49Å; I460-Q492 PolarHBondContact O-OE1 3.07Å |
| 461 | Q | 83.4 | Confident | 82.6 | Confident | 106 Ų | 106 | 38.4 Ų | 38.4 | 50% | 0.495 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -13.1 | 178.9 | -75.8 | 174.9 | -12.3 | 0 | 0 | 115.5 | V457 H463 | V457-Q461 WeakPolarHBondContact O-CB 3.33Å; V457-Q461 VanDerWaalsContact O-CG 3.28Å; V457-Q461 WeakPolarHBondContact O-CG 3.35Å; V457-Q461 PolarHBondContact O-N 3.14Å; Q461-H463 PolarHBondContact O-CD2 2.84Å; Q461-H463 PolarHBondContact O-N 2.84Å |
| 462 | T | 80.3 | Confident | 82.6 | Confident | 33 Ų | 33 | 38.5 Ų | 38.5 | 20% | 0.202 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -16.9 | 170.9 | 66.5 | 0 | 0 | 0 | 0 | 113.8 | L421 I433 L459 I460 V464 | L421-T462 HydrophobicContact CD1-CG2 4.33Å; L421-T462 HydrophobicContact CD2-CG2 3.5Å; I433-T462 HydrophobicContact CD1-CG2 4.43Å; L459-T462 WeakPolarHBondContact O-CB 3.38Å; L459-T462 WeakPolarHBondContact O-CG2 3.32Å; L459-T462 PolarHBondContact O-N 3.29Å; L459-T462 PolarHBondContact O-OG1 2.85Å; I460-T462 PolarHBondContact O-N 3.49Å; T462-V464 WeakPolarHBondContact O-CG2 3.46Å; T462-V464 PolarHBondContact O-N 2.91Å; T462-V464 PolarHBondContact OG1-N 3.02Å |
| 463 | H | 77.8 | Confident | 82.8 | Confident | 137 Ų | 137 | 38.6 Ų | 38.6 | 63% | 0.634 | 20% | 0.203 | S | C | * | . | S | Bend | trans | 60.2 | 18 | -175 | -61.5 | -82.1 | 0 | 0 | 0 | 114.9 | I460 Q461 Q492 | I460-H463 PolarHBondContact O-N 3.32Å; Q461-H463 PolarHBondContact O-CD2 2.84Å; Q461-H463 PolarHBondContact O-N 2.84Å; H463-Q492 VanDerWaalsContact CE1-CD 3.43Å; H463-Q492 PolarHBondContact CE1-NE2 3.32Å |
| 464 | V | 77.7 | Confident | 83 | Confident | 20 Ų | 20 | 35.3 Ų | 35.3 | 12% | 0.121 | 19% | 0.19 | C | C | . | . | trans | -96.1 | -20 | -177 | 167.2 | 0 | 0 | 0 | 0 | 112 | F429 H430 I433 T462 | F429-V464 HydrophobicContact CD1-CG1 4.41Å; F429-V464 HydrophobicContact CD1-CG2 4.19Å; F429-V464 HydrophobicContact CE1-CG2 4.06Å; H430-V464 HydrophobicContact CB-CG1 4.1Å; H430-V464 WeakPolarHBondContact ND1-CG1 3.42Å; H430-V464 PolarHBondContact ND1-O 3.49Å; I433-V464 HydrophobicContact CD1-CB 4.41Å; I433-V464 HydrophobicContact CD1-CG1 4.04Å; T462-V464 WeakPolarHBondContact O-CG2 3.46Å; T462-V464 PolarHBondContact O-N 2.91Å; T462-V464 PolarHBondContact OG1-N 3.02Å | ||
| 465 | L | 81.8 | Confident | 83.3 | Confident | 7 Ų | 7 | 36.5 Ų | 36.5 | 4% | 0.037 | 19% | 0.193 | C | C | . | . | trans | -88.2 | 154.4 | -173.2 | -72.5 | 172.3 | 0 | 0 | 0 | 113 | I433 V437 L459 I460 F493 | I433-L465 HydrophobicContact CG2-CD1 4.18Å; I433-L465 HydrophobicContact CG2-CD2 3.72Å; I433-L465 HydrophobicContact CG2-CG 3.89Å; V437-L465 HydrophobicContact CG2-CD1 3.86Å; V437-L465 HydrophobicContact CG2-CD2 4.25Å; L459-L465 HydrophobicContact CB-CD1 4.28Å; I460-L465 HydrophobicContact CG1-CD1 4.41Å; L465-F493 HydrophobicContact CB-CD1 4.5Å; L465-F493 HydrophobicContact CB-CE1 3.57Å; L465-F493 HydrophobicContact CB-CZ 3.96Å; L465-F493 WeakPolarHBondContact O-CD1 3.48Å | ||
| 466 | S | 85.1 | Confident | 83.4 | Confident | 20 Ų | 20 | 37.3 Ų | 37.3 | 14% | 0.14 | 20% | 0.197 | C | C | . | . | trans | -140.4 | 164.2 | 175.3 | 99.1 | 0 | 0 | 0 | 0 | 109.9 | S468 L469 C470 D495 | S466-S468 VanDerWaalsContact C-N 3.32Å; S466-S468 PolarHBondContact O-N 3.02Å; S466-S468 PolarHBondContact OG-N 3.12Å; S466-L469 PolarHBondContact O-N 3.2Å; S466-L469 PolarHBondContact OG-N 3.47Å; S466-C470 PolarHBondContact O-N 3.3Å; S466-C470 PolarHBondContact O-SG 2.49Å; S466-D495 WeakPolarHBondContact CB-OD1 3.43Å; S466-D495 PolarHBondContact OG-OD1 2.81Å; S466-D495 PolarHBondContact OG-OD2 3.08Å | ||
| 467 | Y | 84.9 | Confident | 83.6 | Confident | 45 Ų | 45 | 37.2 Ų | 37.2 | 18% | 0.176 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -41.8 | 177.3 | -179.5 | -89.1 | 0 | 0 | 0 | 111.3 | L469 C470 P471 M474 D495 P497 V500 | Y467-L469 PolarHBondContact O-N 2.72Å; Y467-C470 CarbonylContact O-C 3.56Å; Y467-C470 VanDerWaalsContact O-C 3.3Å; Y467-C470 PolarHBondContact O-N 3.06Å; Y467-C470 VanDerWaalsContact O-N 3.14Å; Y467-P471 HydrophobicContact CE1-CB 3.93Å; Y467-P471 HydrophobicContact CE2-CB 4.46Å; Y467-P471 WeakPolarHBondContact O-CA 3.31Å; Y467-P471 WeakPolarHBondContact O-CD 3.18Å; Y467-M474 HydrophobicContact CD2-CB 4.48Å; Y467-M474 HydrophobicContact CD2-CG 4.33Å; Y467-M474 HydrophobicContact CD2-SD 3.84Å; Y467-M474 HydrophobicContact CE2-CB 4.26Å; Y467-M474 HydrophobicContact CE2-SD 4.36Å; Y467-D495 PolarHBondContact N-OD1 3.34Å; Y467-P497 HydrophobicContact CD1-CG 3.74Å; Y467-P497 VanDerWaalsContact CE1-CD 3.42Å; Y467-P497 HydrophobicContact CE1-CG 3.39Å; Y467-P497 HydrophobicContact CG-CG 4.46Å; Y467-V500 HydrophobicContact CE2-CG1 4.34Å; Y467-V500 HydrophobicContact CE2-CG2 3.94Å |
| 468 | S | 82.6 | Confident | 83.7 | Confident | 90 Ų | 90 | 38 Ų | 38 | 63% | 0.629 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61 | -28.4 | 177.5 | -58.4 | 0 | 0 | 0 | 0 | 113.2 | S466 D495 | S466-S468 VanDerWaalsContact C-N 3.32Å; S466-S468 PolarHBondContact O-N 3.02Å; S466-S468 PolarHBondContact OG-N 3.12Å; S468-D495 WeakPolarHBondContact CB-OD2 3.39Å; S468-D495 PolarHBondContact N-OD2 3.14Å; S468-D495 PolarHBondContact OG-OD2 3.19Å |
| 469 | L | 76.3 | Confident | 84 | Confident | 43 Ų | 43 | 41.9 Ų | 41.9 | 23% | 0.225 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -30.8 | 177.9 | -65.7 | 175.6 | 0 | 0 | 0 | 112.6 | F359 S466 Y467 | F359-L469 HydrophobicContact CD1-CD2 3.67Å; F359-L469 HydrophobicContact CE1-CD2 3.99Å; S466-L469 PolarHBondContact O-N 3.2Å; S466-L469 PolarHBondContact OG-N 3.47Å; Y467-L469 PolarHBondContact O-N 2.72Å |
| 470 | C | 82.7 | Confident | 84 | Confident | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.02 | 24% | 0.241 | C | C | . | . | trans | -146 | 65.3 | -175.8 | 59.3 | 0 | 0 | 0 | 0 | 112.7 | V437 S466 Y467 D472 L473 | V437-C470 HydrophobicContact CG1-CB 3.75Å; S466-C470 PolarHBondContact O-N 3.3Å; S466-C470 PolarHBondContact O-SG 2.49Å; Y467-C470 CarbonylContact O-C 3.56Å; Y467-C470 VanDerWaalsContact O-C 3.3Å; Y467-C470 PolarHBondContact O-N 3.06Å; Y467-C470 VanDerWaalsContact O-N 3.14Å; C470-D472 PolarHBondContact O-N 3.39Å; C470-L473 HydrophobicContact CB-CB 4.25Å; C470-L473 VanDerWaalsContact O-CB 3.27Å; C470-L473 WeakPolarHBondContact O-CB 3.32Å; C470-L473 PolarHBondContact O-N 3.07Å | ||
| 471 | P | 82.9 | Confident | 84 | Confident | 53 Ų | 53 | 52.8 Ų | 52.8 | 34% | 0.344 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.9 | -33.6 | -174.7 | 24.6 | -34.2 | 0 | 0 | 0 | 112.2 | Y467 L473 | Y467-P471 HydrophobicContact CE1-CB 3.93Å; Y467-P471 HydrophobicContact CE2-CB 4.46Å; Y467-P471 WeakPolarHBondContact O-CA 3.31Å; Y467-P471 WeakPolarHBondContact O-CD 3.18Å; P471-L473 PolarHBondContact O-N 3.23Å |
| 472 | D | 85.1 | Confident | 84.2 | Confident | 44 Ų | 44 | 48.4 Ų | 48.4 | 24% | 0.235 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.2 | -23.1 | 178.8 | -70.7 | -29.6 | 0 | 0 | 0 | 113.7 | L441 K445 C470 E475 I476 | L441-D472 HydrophobicContact CD1-CB 3.96Å; K445-D472 IonicContact NZ-OD1 2.89Å; K445-D472 PolarHBondContact NZ-OD1 2.83Å; K445-D472 IonicContact NZ-OD2 3.99Å; K445-D472 PolarHBondContact NZ-OD2 3.44Å; C470-D472 PolarHBondContact O-N 3.39Å; D472-E475 PolarHBondContact O-N 2.98Å; D472-I476 WeakPolarHBondContact O-CB 3.47Å; D472-I476 WeakPolarHBondContact O-CD1 3.14Å; D472-I476 WeakPolarHBondContact O-CG1 3.22Å; D472-I476 PolarHBondContact O-N 3.18Å |
| 473 | L | 87.8 | Confident | 84.5 | Confident | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.8 | -51.6 | -175.6 | -177.7 | 61.1 | 0 | 0 | 0 | 111.2 | L441 L456 I460 C470 P471 A477 L485 F493 | L441-L473 HydrophobicContact CD1-CB 3.83Å; L441-L473 HydrophobicContact CD1-CD1 4.27Å; L441-L473 HydrophobicContact CD2-CD1 3.77Å; L456-L473 HydrophobicContact CD1-CD1 3.99Å; L456-L473 HydrophobicContact CD2-CD1 3.83Å; L456-L473 HydrophobicContact CG-CD1 4.34Å; I460-L473 HydrophobicContact CD1-CD2 4.05Å; I460-L473 HydrophobicContact CG1-CD2 4.12Å; C470-L473 HydrophobicContact CB-CB 4.25Å; C470-L473 VanDerWaalsContact O-CB 3.27Å; C470-L473 WeakPolarHBondContact O-CB 3.32Å; C470-L473 PolarHBondContact O-N 3.07Å; P471-L473 PolarHBondContact O-N 3.23Å; L473-A477 WeakPolarHBondContact O-CB 3.42Å; L473-A477 PolarHBondContact O-N 2.95Å; L473-L485 HydrophobicContact CD1-CD2 4.11Å; L473-F493 HydrophobicContact CD2-CE2 4.23Å; L473-F493 HydrophobicContact CD2-CZ 3.86Å |
| 474 | M | 88.4 | Confident | 84.9 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -71 | -32.9 | 179.1 | -68.6 | -168.9 | 76.4 | 0 | 0 | 111.3 | Y467 A477 L478 L486 C489 L490 F493 I496 V500 | Y467-M474 HydrophobicContact CD2-CB 4.48Å; Y467-M474 HydrophobicContact CD2-CG 4.33Å; Y467-M474 HydrophobicContact CD2-SD 3.84Å; Y467-M474 HydrophobicContact CE2-CB 4.26Å; Y467-M474 HydrophobicContact CE2-SD 4.36Å; M474-A477 PolarHBondContact O-N 2.61Å; M474-L478 WeakPolarHBondContact O-CB 3.43Å; M474-L478 WeakPolarHBondContact O-CG 3.38Å; M474-L478 PolarHBondContact O-N 2.91Å; M474-L486 HydrophobicContact CE-CD2 4.2Å; M474-C489 HydrophobicContact CE-CB 3.94Å; M474-C489 HydrophobicContact CG-CB 3.9Å; M474-C489 HydrophobicContact SD-CB 3.8Å; M474-L490 HydrophobicContact CE-CD2 4.44Å; M474-L490 HydrophobicContact CE-CG 4.4Å; M474-F493 HydrophobicContact SD-CD2 4.21Å; M474-I496 HydrophobicContact CE-CD1 4.24Å; M474-I496 HydrophobicContact CE-CG2 4.23Å; M474-I496 HydrophobicContact SD-CD1 4.1Å; M474-I496 HydrophobicContact SD-CG1 4.16Å; M474-I496 HydrophobicContact SD-CG2 4.04Å; M474-V500 HydrophobicContact CB-CG1 4.1Å; M474-V500 HydrophobicContact CE-CG1 3.77Å; M474-V500 HydrophobicContact SD-CG1 4.06Å |
| 475 | E | 87.7 | Confident | 85.4 | Confident | 104 Ų | 104 | 40.8 Ų | 40.8 | 49% | 0.486 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60.7 | -48.9 | 174.1 | -171.8 | -178.6 | 175.7 | 0 | 0 | 111.5 | D472 A477 L478 I479 | D472-E475 PolarHBondContact O-N 2.98Å; E475-A477 VanDerWaalsContact C-N 3.35Å; E475-A477 PolarHBondContact O-N 3.36Å; E475-L478 PolarHBondContact O-N 2.84Å; E475-I479 HydrophobicContact CG-CD1 4.24Å; E475-I479 VanDerWaalsContact O-CG1 3.32Å; E475-I479 WeakPolarHBondContact O-CG1 3.08Å; E475-I479 PolarHBondContact O-N 3.27Å |
| 476 | I | 86.4 | Confident | 85.8 | Confident | 17 Ų | 17 | 40.5 Ų | 40.5 | 9% | 0.087 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.2 | -41.2 | 176.9 | -70.2 | 163.7 | 0 | 0 | 0 | 110.8 | L441 C444 K445 Y451 D472 L478 I479 K480 | L441-I476 HydrophobicContact CB-CD1 3.98Å; L441-I476 HydrophobicContact CD2-CD1 3.62Å; L441-I476 HydrophobicContact CG-CD1 4.32Å; C444-I476 HydrophobicContact CB-CD1 4.37Å; K445-I476 HydrophobicContact CG-CD1 4.01Å; Y451-I476 HydrophobicContact CE2-CG2 4.26Å; D472-I476 WeakPolarHBondContact O-CB 3.47Å; D472-I476 WeakPolarHBondContact O-CD1 3.14Å; D472-I476 WeakPolarHBondContact O-CG1 3.22Å; D472-I476 PolarHBondContact O-N 3.18Å; I476-L478 VanDerWaalsContact C-N 3.34Å; I476-L478 PolarHBondContact O-N 3.41Å; I476-I479 PolarHBondContact O-N 3.11Å; I476-K480 HydrophobicContact CG2-CG 4.29Å; I476-K480 WeakPolarHBondContact O-CB 3.35Å; I476-K480 WeakPolarHBondContact O-CG 3.28Å; I476-K480 PolarHBondContact O-N 3.38Å |
| 477 | A | 88.3 | Confident | 86 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.3 | -39.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | L473 M474 E475 K481 D482 L485 L486 | L473-A477 WeakPolarHBondContact O-CB 3.42Å; L473-A477 PolarHBondContact O-N 2.95Å; M474-A477 PolarHBondContact O-N 2.61Å; E475-A477 VanDerWaalsContact C-N 3.35Å; E475-A477 PolarHBondContact O-N 3.36Å; A477-K481 WeakPolarHBondContact O-CA 3.4Å; A477-K481 PolarHBondContact O-N 3.28Å; A477-D482 PolarHBondContact O-N 3.09Å; A477-L485 HydrophobicContact CB-CB 4.47Å; A477-L485 HydrophobicContact CB-CD2 3.95Å; A477-L486 HydrophobicContact CB-CD2 3.61Å; A477-L486 HydrophobicContact CB-CG 3.93Å |
| 478 | L | 89 | Confident | 86.1 | Confident | 32 Ų | 32 | 38.5 Ų | 38.5 | 17% | 0.168 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.6 | -43.9 | 174.2 | -73.3 | 170 | 0 | 0 | 0 | 111.4 | M474 E475 I476 K481 L486 V500 A503 I507 | M474-L478 WeakPolarHBondContact O-CB 3.43Å; M474-L478 WeakPolarHBondContact O-CG 3.38Å; M474-L478 PolarHBondContact O-N 2.91Å; E475-L478 PolarHBondContact O-N 2.84Å; I476-L478 VanDerWaalsContact C-N 3.34Å; I476-L478 PolarHBondContact O-N 3.41Å; L478-K481 PolarHBondContact O-N 2.95Å; L478-L486 HydrophobicContact CD2-CD1 3.91Å; L478-L486 HydrophobicContact CD2-CD2 3.98Å; L478-L486 HydrophobicContact CG-CD2 3.96Å; L478-V500 HydrophobicContact CD1-CG1 4.19Å; L478-A503 HydrophobicContact CD1-CB 3.91Å; L478-A503 HydrophobicContact CD2-CB 4.16Å; L478-I507 HydrophobicContact CB-CD1 4.2Å; L478-I507 HydrophobicContact CD2-CD1 3.49Å; L478-I507 VanDerWaalsContact CD2-CD1 3.49Å; L478-I507 HydrophobicContact CD2-CG1 4.47Å; L478-I507 HydrophobicContact CG-CD1 4.46Å |
| 479 | I | 86.9 | Confident | 86.4 | Confident | 121 Ų | 121 | 34.2 Ų | 34.2 | 62% | 0.621 | 17% | 0.169 | S | C | * | . | H | α-helix | trans | -62.9 | -45 | 177.8 | -68.1 | 165.3 | 0 | 0 | 0 | 110.9 | E475 I476 K481 | E475-I479 HydrophobicContact CG-CD1 4.24Å; E475-I479 VanDerWaalsContact O-CG1 3.32Å; E475-I479 WeakPolarHBondContact O-CG1 3.08Å; E475-I479 PolarHBondContact O-N 3.27Å; I476-I479 PolarHBondContact O-N 3.11Å; I479-K481 PolarHBondContact O-N 3.31Å |
| 480 | K | 84.3 | Confident | 87 | Confident | 97 Ų | 97 | 32.5 Ų | 32.5 | 42% | 0.422 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -78 | -8.1 | 179.2 | -64.8 | -68.2 | -171.4 | 171.4 | 0 | 113.2 | P448 Y451 I476 D482 | P448-K480 PolarHBondContact O-NZ 3.2Å; Y451-K480 HydrophobicContact CE2-CG 4.45Å; I476-K480 HydrophobicContact CG2-CG 4.29Å; I476-K480 WeakPolarHBondContact O-CB 3.35Å; I476-K480 WeakPolarHBondContact O-CG 3.28Å; I476-K480 PolarHBondContact O-N 3.38Å; K480-D482 PolarHBondContact O-N 2.9Å |
| 481 | K | 84.9 | Confident | 87.2 | Confident | 135 Ų | 135 | 36.4 Ų | 36.4 | 59% | 0.587 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 38.5 | -173.5 | -57.1 | -177.6 | 178.7 | -177.8 | 0 | 112.7 | A477 L478 I479 V483 | A477-K481 WeakPolarHBondContact O-CA 3.4Å; A477-K481 PolarHBondContact O-N 3.28Å; L478-K481 PolarHBondContact O-N 2.95Å; I479-K481 PolarHBondContact O-N 3.31Å; K481-V483 PolarHBondContact O-N 2.89Å; K481-V483 VanDerWaalsContact O-N 3.1Å |
| 482 | D | 86.5 | Confident | 87.3 | Confident | 14 Ų | 14 | 35.7 Ų | 35.7 | 8% | 0.075 | 17% | 0.17 | C | C | . | . | trans | -80.9 | 93.1 | 177.9 | -167.4 | -14.7 | 0 | 0 | 0 | 110.8 | Y451 R453 A477 K480 Q484 L485 L486 | Y451-D482 VanDerWaalsContact CE1-OD2 3.3Å; Y451-D482 WeakPolarHBondContact CE1-OD2 3.44Å; Y451-D482 VanDerWaalsContact OH-CB 3.31Å; Y451-D482 WeakPolarHBondContact OH-CB 3.3Å; Y451-D482 PolarHBondContact OH-OD2 3.43Å; R453-D482 WeakPolarHBondContact CD-OD2 3.44Å; R453-D482 WeakPolarHBondContact CG-OD2 3.45Å; R453-D482 IonicContact CZ-OD1 3.74Å; R453-D482 IonicContact CZ-OD2 3.71Å; R453-D482 IonicContact NE-OD1 2.7Å; R453-D482 PolarHBondContact NE-OD1 3.31Å; R453-D482 IonicContact NE-OD2 3.01Å; R453-D482 PolarHBondContact NE-OD2 3.46Å; R453-D482 IonicContact NH2-OD1 3.51Å; R453-D482 PolarHBondContact NH2-OD1 3.07Å; R453-D482 IonicContact NH2-OD2 2.79Å; A477-D482 PolarHBondContact O-N 3.09Å; K480-D482 PolarHBondContact O-N 2.9Å; D482-Q484 VanDerWaalsContact C-N 3.34Å; D482-Q484 PolarHBondContact O-N 3.36Å; D482-Q484 PolarHBondContact OD1-N 3.13Å; D482-L485 HydrophobicContact CB-CB 4.18Å; D482-L485 PolarHBondContact O-N 3.28Å; D482-L486 VanDerWaalsContact O-CG 3.3Å; D482-L486 WeakPolarHBondContact O-CG 3.37Å; D482-L486 PolarHBondContact O-N 3.37Å; D482-L486 VanDerWaalsContact O-N 3.12Å | ||
| 483 | V | 87.9 | Confident | 87.5 | Confident | 6 Ų | 6 | 34.1 Ų | 34.1 | 4% | 0.036 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.3 | -36.1 | -172.6 | -177.1 | 0 | 0 | 0 | 0 | 112.9 | K481 Q487 F508 I511 L586 | K481-V483 PolarHBondContact O-N 2.89Å; K481-V483 VanDerWaalsContact O-N 3.1Å; V483-Q487 WeakPolarHBondContact O-CB 3.28Å; V483-Q487 PolarHBondContact O-N 3.14Å; V483-F508 HydrophobicContact CG1-CD1 4.18Å; V483-F508 HydrophobicContact CG1-CE1 3.86Å; V483-I511 HydrophobicContact CG2-CD1 3.43Å; V483-I511 VanDerWaalsContact CG2-CD1 3.43Å; V483-L586 HydrophobicContact CG1-CD1 3.22Å; V483-L586 HydrophobicContact CG1-CD2 3.35Å; V483-L586 HydrophobicContact CG1-CG 3.88Å |
| 484 | Q | 86.2 | Confident | 87.2 | Confident | 23 Ų | 23 | 38.8 Ų | 38.8 | 11% | 0.107 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.7 | -44.4 | 179.8 | -173.8 | 172.3 | 13.2 | 0 | 0 | 110.8 | D482 L486 Q487 L488 D520 | D482-Q484 VanDerWaalsContact C-N 3.34Å; D482-Q484 PolarHBondContact O-N 3.36Å; D482-Q484 PolarHBondContact OD1-N 3.13Å; Q484-L486 VanDerWaalsContact C-N 3.35Å; Q484-Q487 PolarHBondContact O-N 3.26Å; Q484-L488 HydrophobicContact CG-CD1 4.35Å; Q484-L488 WeakPolarHBondContact O-CG 3.49Å; Q484-L488 PolarHBondContact O-N 2.93Å; Q484-D520 VanDerWaalsContact CB-O 3.28Å; Q484-D520 WeakPolarHBondContact CB-O 3.27Å; Q484-D520 WeakPolarHBondContact CG-O 3.42Å; Q484-D520 PolarHBondContact NE2-OD2 2.96Å; Q484-D520 PolarHBondContact OE1-O 2.73Å |
| 485 | L | 88 | Confident | 87.2 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.5 | -41.9 | 179.9 | -161.1 | 72 | 0 | 0 | 0 | 110.8 | Y451 L456 V457 I460 L473 A477 D482 L488 C489 | Y451-L485 WeakPolarHBondContact OH-CD2 3.44Å; L456-L485 HydrophobicContact CB-CD1 3.93Å; L456-L485 HydrophobicContact CB-CD2 4.38Å; L456-L485 HydrophobicContact CD1-CD2 4.06Å; V457-L485 HydrophobicContact CG2-CD1 3.88Å; I460-L485 HydrophobicContact CD1-CD1 3.29Å; I460-L485 HydrophobicContact CD1-CG 3.94Å; L473-L485 HydrophobicContact CD1-CD2 4.11Å; A477-L485 HydrophobicContact CB-CB 4.47Å; A477-L485 HydrophobicContact CB-CD2 3.95Å; D482-L485 HydrophobicContact CB-CB 4.18Å; D482-L485 PolarHBondContact O-N 3.28Å; L485-L488 PolarHBondContact O-N 3.38Å; L485-C489 PolarHBondContact O-N 2.83Å; L485-C489 PolarHBondContact O-SG 3.12Å |
| 486 | L | 89.8 | Confident | 87.3 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.3 | -41.8 | 174.7 | -67.5 | 171.4 | 0 | 0 | 0 | 112.3 | M474 A477 L478 D482 Q484 C489 L490 F508 | M474-L486 HydrophobicContact CE-CD2 4.2Å; A477-L486 HydrophobicContact CB-CD2 3.61Å; A477-L486 HydrophobicContact CB-CG 3.93Å; L478-L486 HydrophobicContact CD2-CD1 3.91Å; L478-L486 HydrophobicContact CD2-CD2 3.98Å; L478-L486 HydrophobicContact CG-CD2 3.96Å; D482-L486 VanDerWaalsContact O-CG 3.3Å; D482-L486 WeakPolarHBondContact O-CG 3.37Å; D482-L486 PolarHBondContact O-N 3.37Å; D482-L486 VanDerWaalsContact O-N 3.12Å; Q484-L486 VanDerWaalsContact C-N 3.35Å; L486-C489 PolarHBondContact O-N 3.14Å; L486-L490 WeakPolarHBondContact O-CB 3.47Å; L486-L490 VanDerWaalsContact O-CG 3.28Å; L486-L490 WeakPolarHBondContact O-CG 3.42Å; L486-L490 PolarHBondContact O-N 3.06Å; L486-F508 HydrophobicContact CB-CE1 4.13Å; L486-F508 HydrophobicContact CB-CZ 3.88Å; L486-F508 HydrophobicContact CD1-CE1 4.12Å |
| 487 | Q | 89.4 | Confident | 87.5 | Confident | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.009 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.4 | -45.1 | 176 | -170 | -173.8 | 22.7 | 0 | 0 | 111.4 | V483 Q484 L490 Q491 V521 S522 L586 A589 | V483-Q487 WeakPolarHBondContact O-CB 3.28Å; V483-Q487 PolarHBondContact O-N 3.14Å; Q484-Q487 PolarHBondContact O-N 3.26Å; Q487-L490 PolarHBondContact O-N 3.47Å; Q487-Q491 WeakPolarHBondContact O-CG 3.26Å; Q487-Q491 PolarHBondContact O-N 2.75Å; Q487-Q491 VanDerWaalsContact O-N 3.09Å; Q487-V521 VanDerWaalsContact OE1-CG1 3.29Å; Q487-S522 PolarHBondContact NE2-O 3.22Å; Q487-L586 HydrophobicContact CB-CD2 3.83Å; Q487-L586 HydrophobicContact CG-CD2 4Å; Q487-A589 HydrophobicContact CG-CB 4.04Å |
| 488 | L | 86.9 | Confident | 87.7 | Confident | 21 Ų | 21 | 39.9 Ų | 39.9 | 11% | 0.11 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.9 | -44.2 | 178.1 | -72.9 | 169.3 | 0 | 0 | 0 | 111.9 | V457 I460 Q484 L485 Q491 Q492 | V457-L488 HydrophobicContact CB-CD1 4.37Å; V457-L488 HydrophobicContact CG1-CD1 3.82Å; V457-L488 HydrophobicContact CG2-CD1 4.01Å; I460-L488 HydrophobicContact CG2-CB 4.06Å; Q484-L488 HydrophobicContact CG-CD1 4.35Å; Q484-L488 WeakPolarHBondContact O-CG 3.49Å; Q484-L488 PolarHBondContact O-N 2.93Å; L485-L488 PolarHBondContact O-N 3.38Å; L488-Q491 PolarHBondContact O-N 2.94Å; L488-Q492 WeakPolarHBondContact O-CB 3.34Å; L488-Q492 WeakPolarHBondContact O-CG 3.16Å; L488-Q492 PolarHBondContact O-N 3.32Å |
| 489 | C | 89.1 | Confident | 87.8 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.8 | -45.9 | 175.6 | -67.7 | 0 | 0 | 0 | 0 | 111.3 | M474 L485 L486 Q491 Q492 F493 | M474-C489 HydrophobicContact CE-CB 3.94Å; M474-C489 HydrophobicContact CG-CB 3.9Å; M474-C489 HydrophobicContact SD-CB 3.8Å; L485-C489 PolarHBondContact O-N 2.83Å; L485-C489 PolarHBondContact O-SG 3.12Å; L486-C489 PolarHBondContact O-N 3.14Å; C489-Q491 PolarHBondContact O-N 2.91Å; C489-Q492 PolarHBondContact O-N 2.96Å; C489-F493 HydrophobicContact CB-CD2 4.13Å; C489-F493 HydrophobicContact CB-CE2 4.21Å; C489-F493 HydrophobicContact CB-CG 4.49Å; C489-F493 WeakPolarHBondContact O-CB 3.48Å; C489-F493 PolarHBondContact O-N 3.4Å |
| 490 | L | 88.7 | Confident | 88 | Confident | 7 Ų | 7 | 35.9 Ų | 35.9 | 4% | 0.037 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.5 | -32 | 178.1 | -75.1 | 167.9 | 0 | 0 | 0 | 113.4 | M474 L486 Q487 I496 T501 C504 F508 A589 I590 | M474-L490 HydrophobicContact CE-CD2 4.44Å; M474-L490 HydrophobicContact CE-CG 4.4Å; L486-L490 WeakPolarHBondContact O-CB 3.47Å; L486-L490 VanDerWaalsContact O-CG 3.28Å; L486-L490 WeakPolarHBondContact O-CG 3.42Å; L486-L490 PolarHBondContact O-N 3.06Å; Q487-L490 PolarHBondContact O-N 3.47Å; L490-I496 HydrophobicContact CD2-CD1 3.84Å; L490-I496 HydrophobicContact CG-CD1 4.43Å; L490-T501 HydrophobicContact CD2-CG2 4.42Å; L490-C504 HydrophobicContact CD1-CB 4.05Å; L490-F508 HydrophobicContact CD1-CE2 3.71Å; L490-F508 HydrophobicContact CD1-CZ 4.03Å; L490-A589 HydrophobicContact CB-CB 4.38Å; L490-I590 HydrophobicContact CD1-CG1 4Å |
| 491 | Q | 86.6 | Confident | 88.3 | Confident | 85 Ų | 85 | 31.4 Ų | 31.4 | 40% | 0.397 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -80.9 | -29.2 | 178.7 | -73.3 | 175.2 | -16.7 | 0 | 0 | 113.4 | Q487 L488 C489 A589 | Q487-Q491 WeakPolarHBondContact O-CG 3.26Å; Q487-Q491 PolarHBondContact O-N 2.75Å; Q487-Q491 VanDerWaalsContact O-N 3.09Å; L488-Q491 PolarHBondContact O-N 2.94Å; C489-Q491 PolarHBondContact O-N 2.91Å; Q491-A589 HydrophobicContact CG-CB 4.48Å |
| 492 | Q | 85.7 | Confident | 88.6 | Confident | 38 Ų | 38 | 25.2 Ų | 25.2 | 18% | 0.178 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -110.5 | -27.5 | -168.3 | -61.4 | -171.4 | 9 | 0 | 0 | 114.3 | I460 H463 L488 C489 | I460-Q492 HydrophobicContact CG2-CB 4.43Å; I460-Q492 HydrophobicContact CG2-CG 4.49Å; I460-Q492 PolarHBondContact O-OE1 3.07Å; H463-Q492 VanDerWaalsContact CE1-CD 3.43Å; H463-Q492 PolarHBondContact CE1-NE2 3.32Å; L488-Q492 WeakPolarHBondContact O-CB 3.34Å; L488-Q492 WeakPolarHBondContact O-CG 3.16Å; L488-Q492 PolarHBondContact O-N 3.32Å; C489-Q492 PolarHBondContact O-N 2.96Å |
| 493 | F | 88 | Confident | 88.8 | Confident | 11 Ų | 11 | 26 Ų | 26 | 5% | 0.048 | 15% | 0.15 | C | C | . | . | trans | -84.8 | 125.3 | -177.3 | -69.5 | 2.6 | 0 | 0 | 0 | 110.7 | L465 L473 M474 C489 I496 | L465-F493 HydrophobicContact CB-CD1 4.5Å; L465-F493 HydrophobicContact CB-CE1 3.57Å; L465-F493 HydrophobicContact CB-CZ 3.96Å; L465-F493 WeakPolarHBondContact O-CD1 3.48Å; L473-F493 HydrophobicContact CD2-CE2 4.23Å; L473-F493 HydrophobicContact CD2-CZ 3.86Å; M474-F493 HydrophobicContact SD-CD2 4.21Å; C489-F493 HydrophobicContact CB-CD2 4.13Å; C489-F493 HydrophobicContact CB-CE2 4.21Å; C489-F493 HydrophobicContact CB-CG 4.49Å; C489-F493 WeakPolarHBondContact O-CB 3.48Å; C489-F493 PolarHBondContact O-N 3.4Å; F493-I496 HydrophobicContact CB-CD1 3.88Å; F493-I496 HydrophobicContact CB-CG1 3.6Å | ||
| 494 | P | 83.4 | Confident | 89 | Confident | 101 Ų | 101 | 25.8 Ų | 25.8 | 66% | 0.656 | 15% | 0.148 | S | C | * | . | S | Bend | trans | -80.3 | -15.9 | -176.7 | 31.8 | -36 | 0 | 0 | 0 | 114.2 | ||
| 495 | D | 87.6 | Confident | 89.3 | Confident | 51 Ų | 51 | 24.7 Ų | 24.7 | 27% | 0.273 | 14% | 0.143 | S | C | . | . | trans | -127.7 | 34.1 | -162.1 | 62.4 | -28.6 | 0 | 0 | 0 | 113.4 | S466 Y467 S468 P497 | S466-D495 WeakPolarHBondContact CB-OD1 3.43Å; S466-D495 PolarHBondContact OG-OD1 2.81Å; S466-D495 PolarHBondContact OG-OD2 3.08Å; Y467-D495 PolarHBondContact N-OD1 3.34Å; S468-D495 WeakPolarHBondContact CB-OD2 3.39Å; S468-D495 PolarHBondContact N-OD2 3.14Å; S468-D495 PolarHBondContact OG-OD2 3.19Å; D495-P497 WeakPolarHBondContact O-CD 3.37Å | ||
| 496 | I | 90.1 | Very high | 89.4 | Confident | 15 Ų | 15 | 27.8 Ų | 27.8 | 8% | 0.077 | 16% | 0.157 | C | C | . | . | trans | -73.9 | 126.5 | -179.7 | -53.6 | 173.3 | 0 | 0 | 0 | 110.3 | M474 L490 F493 V500 | M474-I496 HydrophobicContact CE-CD1 4.24Å; M474-I496 HydrophobicContact CE-CG2 4.23Å; M474-I496 HydrophobicContact SD-CD1 4.1Å; M474-I496 HydrophobicContact SD-CG1 4.16Å; M474-I496 HydrophobicContact SD-CG2 4.04Å; L490-I496 HydrophobicContact CD2-CD1 3.84Å; L490-I496 HydrophobicContact CG-CD1 4.43Å; F493-I496 HydrophobicContact CB-CD1 3.88Å; F493-I496 HydrophobicContact CB-CG1 3.6Å; I496-V500 HydrophobicContact CG2-CB 4.03Å; I496-V500 HydrophobicContact CG2-CG1 4.12Å | ||
| 497 | P | 91 | Very high | 89.5 | Confident | 40 Ų | 40 | 29.1 Ų | 29.1 | 26% | 0.26 | 16% | 0.163 | S | C | . | . | trans | -64.9 | 144.4 | 174.9 | -21.4 | 32.6 | 0 | 0 | 0 | 112.8 | Y467 D495 S499 V500 T501 | Y467-P497 HydrophobicContact CD1-CG 3.74Å; Y467-P497 VanDerWaalsContact CE1-CD 3.42Å; Y467-P497 HydrophobicContact CE1-CG 3.39Å; Y467-P497 HydrophobicContact CG-CG 4.46Å; D495-P497 WeakPolarHBondContact O-CD 3.37Å; P497-S499 PolarHBondContact O-N 3.21Å; P497-S499 VanDerWaalsContact O-N 3.14Å; P497-V500 HydrophobicContact CB-CG2 4.33Å; P497-V500 HydrophobicContact CG-CG2 4.39Å; P497-V500 WeakPolarHBondContact O-CB 3.35Å; P497-V500 PolarHBondContact O-N 2.81Å; P497-T501 PolarHBondContact O-N 3.1Å; P497-T501 VanDerWaalsContact O-N 3.1Å; P497-T501 PolarHBondContact O-OG1 3.4Å | ||
| 498 | E | 91.6 | Very high | 89.5 | Confident | 38 Ų | 38 | 29 Ų | 29 | 18% | 0.178 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.1 | -27.8 | -178.5 | -67.8 | 83.4 | 173.4 | 0 | 0 | 113.3 | V500 C502 S596 F599 L600 | E498-V500 VanDerWaalsContact C-N 3.34Å; E498-C502 WeakPolarHBondContact O-CB 3.41Å; E498-C502 PolarHBondContact O-N 3.15Å; E498-C502 PolarHBondContact O-SG 2.89Å; E498-S596 WeakPolarHBondContact OE1-CB 3.46Å; E498-S596 PolarHBondContact OE1-N 2.89Å; E498-F599 HydrophobicContact CG-CB 4.25Å; E498-L600 HydrophobicContact CB-CB 4.25Å; E498-L600 HydrophobicContact CB-CD1 3.85Å; E498-L600 HydrophobicContact CG-CB 4Å; E498-L600 HydrophobicContact CG-CD1 4.11Å |
| 499 | S | 91.1 | Very high | 89.6 | Confident | 55 Ų | 55 | 28.3 Ų | 28.3 | 39% | 0.385 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -62.7 | -40.3 | 173.7 | 60.6 | 0 | 0 | 0 | 0 | 112.2 | P497 A503 | P497-S499 PolarHBondContact O-N 3.21Å; P497-S499 VanDerWaalsContact O-N 3.14Å; S499-A503 PolarHBondContact O-N 2.86Å |
| 500 | V | 91.1 | Very high | 89.4 | Confident | 14 Ų | 14 | 31.3 Ų | 31.3 | 9% | 0.085 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -74.8 | -42.8 | 179 | -178.7 | 0 | 0 | 0 | 0 | 109.9 | Y467 M474 L478 I496 P497 E498 C502 A503 C504 | Y467-V500 HydrophobicContact CE2-CG1 4.34Å; Y467-V500 HydrophobicContact CE2-CG2 3.94Å; M474-V500 HydrophobicContact CB-CG1 4.1Å; M474-V500 HydrophobicContact CE-CG1 3.77Å; M474-V500 HydrophobicContact SD-CG1 4.06Å; L478-V500 HydrophobicContact CD1-CG1 4.19Å; I496-V500 HydrophobicContact CG2-CB 4.03Å; I496-V500 HydrophobicContact CG2-CG1 4.12Å; P497-V500 HydrophobicContact CB-CG2 4.33Å; P497-V500 HydrophobicContact CG-CG2 4.39Å; P497-V500 WeakPolarHBondContact O-CB 3.35Å; P497-V500 PolarHBondContact O-N 2.81Å; E498-V500 VanDerWaalsContact C-N 3.34Å; V500-C502 VanDerWaalsContact C-N 3.32Å; V500-C502 PolarHBondContact O-N 2.83Å; V500-A503 WeakPolarHBondContact O-CA 3.38Å; V500-A503 WeakPolarHBondContact O-CB 3.41Å; V500-A503 PolarHBondContact O-N 3.03Å; V500-C504 PolarHBondContact O-N 2.96Å; V500-C504 PolarHBondContact O-SG 3.45Å; V500-C504 VanDerWaalsContact O-SG 3.36Å |
| 501 | T | 91.4 | Very high | 89.3 | Confident | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.018 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.4 | -44.3 | 173.7 | -56.6 | 0 | 0 | 0 | 0 | 111.6 | L490 P497 A503 C504 L505 I590 S593 | L490-T501 HydrophobicContact CD2-CG2 4.42Å; P497-T501 PolarHBondContact O-N 3.1Å; P497-T501 VanDerWaalsContact O-N 3.1Å; P497-T501 PolarHBondContact O-OG1 3.4Å; T501-A503 PolarHBondContact O-N 2.89Å; T501-C504 WeakPolarHBondContact O-CB 3.48Å; T501-C504 PolarHBondContact O-N 3.23Å; T501-L505 PolarHBondContact O-N 3.05Å; T501-I590 HydrophobicContact CG2-CG2 4.01Å; T501-S593 WeakPolarHBondContact CG2-OG 3.13Å |
| 502 | C | 90.8 | Very high | 88.8 | Confident | 4 Ų | 4 | 29.9 Ų | 29.9 | 3% | 0.027 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.6 | -36.2 | 173.8 | -80.3 | 0 | 0 | 0 | 0 | 113 | E498 V500 L505 K506 L600 H603 | E498-C502 WeakPolarHBondContact O-CB 3.41Å; E498-C502 PolarHBondContact O-N 3.15Å; E498-C502 PolarHBondContact O-SG 2.89Å; V500-C502 VanDerWaalsContact C-N 3.32Å; V500-C502 PolarHBondContact O-N 2.83Å; C502-L505 WeakPolarHBondContact O-CB 3.44Å; C502-L505 PolarHBondContact O-N 2.83Å; C502-K506 WeakPolarHBondContact O-CG 3.42Å; C502-K506 PolarHBondContact O-N 3.45Å; C502-L600 VanDerWaalsContact SG-CD1 3.51Å; C502-H603 HydrophobicContact CB-CB 3.86Å; C502-H603 VanDerWaalsContact SG-CB 3.52Å |
| 503 | A | 91 | Very high | 88.4 | Confident | 32 Ų | 32 | 31.4 Ų | 31.4 | 26% | 0.264 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64.1 | -42.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L478 S499 V500 T501 K506 I507 | L478-A503 HydrophobicContact CD1-CB 3.91Å; L478-A503 HydrophobicContact CD2-CB 4.16Å; S499-A503 PolarHBondContact O-N 2.86Å; V500-A503 WeakPolarHBondContact O-CA 3.38Å; V500-A503 WeakPolarHBondContact O-CB 3.41Å; V500-A503 PolarHBondContact O-N 3.03Å; T501-A503 PolarHBondContact O-N 2.89Å; A503-K506 PolarHBondContact O-N 2.82Å; A503-I507 WeakPolarHBondContact O-CG1 3.42Å; A503-I507 PolarHBondContact O-N 3.32Å; A503-I507 VanDerWaalsContact O-N 3.08Å |
| 504 | C | 91.5 | Very high | 87.6 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.7 | -46.3 | 171.7 | -64.7 | 0 | 0 | 0 | 0 | 111.4 | L490 V500 T501 K506 I507 F508 | L490-C504 HydrophobicContact CD1-CB 4.05Å; V500-C504 PolarHBondContact O-N 2.96Å; V500-C504 PolarHBondContact O-SG 3.45Å; V500-C504 VanDerWaalsContact O-SG 3.36Å; T501-C504 WeakPolarHBondContact O-CB 3.48Å; T501-C504 PolarHBondContact O-N 3.23Å; C504-K506 PolarHBondContact O-N 3.17Å; C504-I507 PolarHBondContact O-N 3.36Å; C504-F508 HydrophobicContact CB-CE2 4.17Å; C504-F508 HydrophobicContact CB-CZ 4.23Å; C504-F508 WeakPolarHBondContact O-CG 3.29Å; C504-F508 PolarHBondContact O-N 3.3Å |
| 505 | L | 91.8 | Very high | 86.9 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.7 | -47 | 177.7 | -174.9 | 56.7 | 0 | 0 | 0 | 112.1 | T501 C502 I507 F508 L509 L587 I590 L604 I607 F615 W648 | T501-L505 PolarHBondContact O-N 3.05Å; C502-L505 WeakPolarHBondContact O-CB 3.44Å; C502-L505 PolarHBondContact O-N 2.83Å; L505-I507 VanDerWaalsContact C-N 3.35Å; L505-I507 PolarHBondContact O-N 3.13Å; L505-F508 PolarHBondContact O-N 3.34Å; L505-L509 HydrophobicContact CD1-CD1 3.7Å; L505-L509 HydrophobicContact CD1-CG 4.11Å; L505-L509 HydrophobicContact CG-CD1 3.85Å; L505-L509 WeakPolarHBondContact O-CB 3.4Å; L505-L509 VanDerWaalsContact O-CG 3.29Å; L505-L509 WeakPolarHBondContact O-CG 3.43Å; L505-L509 PolarHBondContact O-N 2.79Å; L505-L587 HydrophobicContact CD1-CD2 3.68Å; L505-I590 HydrophobicContact CB-CD1 3.67Å; L505-I590 HydrophobicContact CD1-CD1 3.57Å; L505-I590 HydrophobicContact CG-CD1 4.2Å; L505-L604 HydrophobicContact CD2-CD2 4.16Å; L505-I607 HydrophobicContact CD2-CD1 3.62Å; L505-I607 HydrophobicContact CG-CD1 4.21Å; L505-F615 HydrophobicContact CD1-CD1 4.15Å; L505-F615 HydrophobicContact CD1-CE1 3.95Å; L505-F615 HydrophobicContact CD1-CZ 4.16Å; L505-F615 HydrophobicContact CD2-CD1 4.24Å; L505-F615 HydrophobicContact CD2-CE1 4Å; L505-W648 HydrophobicContact CD2-CZ3 4.29Å |
| 506 | K | 91.4 | Very high | 86.1 | Confident | 66 Ų | 66 | 33.1 Ų | 33.1 | 29% | 0.287 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -59.1 | -46.1 | 176.9 | -73.2 | 174.2 | 178.8 | -173.9 | 0 | 111.5 | C502 A503 C504 S510 D606 I607 | C502-K506 WeakPolarHBondContact O-CG 3.42Å; C502-K506 PolarHBondContact O-N 3.45Å; A503-K506 PolarHBondContact O-N 2.82Å; C504-K506 PolarHBondContact O-N 3.17Å; K506-S510 VanDerWaalsContact O-CB 3.25Å; K506-S510 WeakPolarHBondContact O-CB 3.5Å; K506-S510 PolarHBondContact O-N 2.68Å; K506-S510 PolarHBondContact O-OG 2.76Å; K506-D606 WeakPolarHBondContact CE-O 3.4Å; K506-D606 PolarHBondContact NZ-O 3.28Å; K506-I607 HydrophobicContact CD-CG1 4.35Å; K506-I607 HydrophobicContact CG-CG1 3.89Å |
| 507 | I | 90.5 | Very high | 84.8 | Confident | 27 Ų | 27 | 39.2 Ų | 39.2 | 14% | 0.138 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.7 | -51.4 | 178.7 | -69.3 | -176.6 | 0 | 0 | 0 | 110.3 | L478 A503 C504 L505 L509 S510 I511 | L478-I507 HydrophobicContact CB-CD1 4.2Å; L478-I507 HydrophobicContact CD2-CD1 3.49Å; L478-I507 VanDerWaalsContact CD2-CD1 3.49Å; L478-I507 HydrophobicContact CD2-CG1 4.47Å; L478-I507 HydrophobicContact CG-CD1 4.46Å; A503-I507 WeakPolarHBondContact O-CG1 3.42Å; A503-I507 PolarHBondContact O-N 3.32Å; A503-I507 VanDerWaalsContact O-N 3.08Å; C504-I507 PolarHBondContact O-N 3.36Å; L505-I507 VanDerWaalsContact C-N 3.35Å; L505-I507 PolarHBondContact O-N 3.13Å; I507-L509 VanDerWaalsContact C-N 3.27Å; I507-L509 PolarHBondContact O-N 3.17Å; I507-S510 WeakPolarHBondContact CA-OG 3.22Å; I507-S510 PolarHBondContact O-N 3.41Å; I507-S510 PolarHBondContact O-OG 3.2Å; I507-I511 HydrophobicContact CG2-CD1 3.58Å; I507-I511 HydrophobicContact CG2-CG1 4.13Å; I507-I511 WeakPolarHBondContact O-CD1 3.43Å; I507-I511 VanDerWaalsContact O-CG1 3.26Å; I507-I511 WeakPolarHBondContact O-CG1 2.96Å; I507-I511 PolarHBondContact O-N 2.95Å; I507-I511 VanDerWaalsContact O-N 3.08Å |
| 508 | F | 90.2 | Very high | 83.3 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.7 | -33.7 | -177.8 | -61.8 | -14.9 | 0 | 0 | 0 | 113.5 | V483 L486 L490 C504 L505 R583 L586 I590 | V483-F508 HydrophobicContact CG1-CD1 4.18Å; V483-F508 HydrophobicContact CG1-CE1 3.86Å; L486-F508 HydrophobicContact CB-CE1 4.13Å; L486-F508 HydrophobicContact CB-CZ 3.88Å; L486-F508 HydrophobicContact CD1-CE1 4.12Å; L490-F508 HydrophobicContact CD1-CE2 3.71Å; L490-F508 HydrophobicContact CD1-CZ 4.03Å; C504-F508 HydrophobicContact CB-CE2 4.17Å; C504-F508 HydrophobicContact CB-CZ 4.23Å; C504-F508 WeakPolarHBondContact O-CG 3.29Å; C504-F508 PolarHBondContact O-N 3.3Å; L505-F508 PolarHBondContact O-N 3.34Å; F508-R583 PolarHBondContact O-NE 3.25Å; F508-L586 HydrophobicContact CB-CB 4.32Å; F508-L586 HydrophobicContact CD1-CB 4.41Å; F508-L586 HydrophobicContact CD1-CD1 4.22Å; F508-L586 HydrophobicContact CD2-CB 3.59Å; F508-L586 HydrophobicContact CE1-CD2 4.3Å; F508-L586 HydrophobicContact CE2-CB 3.91Å; F508-L586 HydrophobicContact CE2-CD2 4.32Å; F508-L586 HydrophobicContact CG-CB 3.88Å; F508-L586 HydrophobicContact CG-CD1 4.33Å; F508-L586 HydrophobicContact CZ-CB 4.46Å; F508-L586 HydrophobicContact CZ-CD2 4.12Å; F508-I590 HydrophobicContact CD2-CD1 3.46Å; F508-I590 VanDerWaalsContact CD2-CD1 3.46Å; F508-I590 HydrophobicContact CD2-CG1 4.17Å; F508-I590 HydrophobicContact CE2-CD1 3.89Å; F508-I590 HydrophobicContact CE2-CG1 4.14Å |
| 509 | L | 88 | Confident | 82.2 | Confident | 6 Ų | 6 | 45.9 Ų | 45.9 | 3% | 0.031 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -78.1 | -24.7 | 175.2 | -68.1 | 171.3 | 0 | 0 | 0 | 113.3 | L505 I507 L587 H611 L614 F615 | L505-L509 HydrophobicContact CD1-CD1 3.7Å; L505-L509 HydrophobicContact CD1-CG 4.11Å; L505-L509 HydrophobicContact CG-CD1 3.85Å; L505-L509 WeakPolarHBondContact O-CB 3.4Å; L505-L509 VanDerWaalsContact O-CG 3.29Å; L505-L509 WeakPolarHBondContact O-CG 3.43Å; L505-L509 PolarHBondContact O-N 2.79Å; I507-L509 VanDerWaalsContact C-N 3.27Å; I507-L509 PolarHBondContact O-N 3.17Å; L509-L587 HydrophobicContact CD2-CD1 4.19Å; L509-L587 HydrophobicContact CD2-CD2 3.78Å; L509-L587 HydrophobicContact CG-CD2 4.08Å; L509-H611 HydrophobicContact CB-CB 3.95Å; L509-H611 HydrophobicContact CD1-CB 3.88Å; L509-H611 HydrophobicContact CG-CB 4.48Å; L509-H611 PolarHBondContact O-CE1 3.18Å; L509-H611 PolarHBondContact O-ND1 3.01Å; L509-L614 HydrophobicContact CD2-CD2 4.39Å; L509-F615 HydrophobicContact CD1-CB 4.17Å; L509-F615 HydrophobicContact CD2-CB 4.21Å |
| 510 | S | 87 | Confident | 81 | Confident | 64 Ų | 64 | 48.4 Ų | 48.4 | 45% | 0.448 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -89.5 | -19.8 | -177.9 | 72 | 0 | 0 | 0 | 0 | 115.1 | K506 I507 | K506-S510 VanDerWaalsContact O-CB 3.25Å; K506-S510 WeakPolarHBondContact O-CB 3.5Å; K506-S510 PolarHBondContact O-N 2.68Å; K506-S510 PolarHBondContact O-OG 2.76Å; I507-S510 WeakPolarHBondContact CA-OG 3.22Å; I507-S510 PolarHBondContact O-N 3.41Å; I507-S510 PolarHBondContact O-OG 3.2Å |
| 511 | I | 85.6 | Confident | 80.3 | Confident | 22 Ų | 22 | 48 Ų | 48 | 11% | 0.113 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -69.4 | 133.5 | -179 | -70.5 | 161.1 | 0 | 0 | 0 | 109.9 | V483 I507 S515 L516 R583 | V483-I511 HydrophobicContact CG2-CD1 3.43Å; V483-I511 VanDerWaalsContact CG2-CD1 3.43Å; I507-I511 HydrophobicContact CG2-CD1 3.58Å; I507-I511 HydrophobicContact CG2-CG1 4.13Å; I507-I511 WeakPolarHBondContact O-CD1 3.43Å; I507-I511 VanDerWaalsContact O-CG1 3.26Å; I507-I511 WeakPolarHBondContact O-CG1 2.96Å; I507-I511 PolarHBondContact O-N 2.95Å; I507-I511 VanDerWaalsContact O-N 3.08Å; I511-S515 WeakPolarHBondContact CG2-OG 3.48Å; I511-L516 HydrophobicContact CG2-CD1 4.19Å; I511-L516 HydrophobicContact CG2-CD2 3.85Å; I511-L516 HydrophobicContact CG2-CG 3.67Å; I511-R583 PolarHBondContact O-NH2 3.19Å |
| 512 | G | 76.6 | Confident | 79.4 | Confident | 40 Ų | 40 | 49.6 Ų | 49.6 | 41% | 0.412 | 28% | 0.279 | S | S | . | . | trans | -72.4 | 151.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | D514 S515 | G512-D514 VanDerWaalsContact C-N 3.28Å; G512-D514 PolarHBondContact O-N 2.98Å; G512-S515 PolarHBondContact O-N 3.35Å; G512-S515 PolarHBondContact O-OG 2.76Å | ||
| 513 | D | 76.8 | Confident | 78.6 | Confident | 70 Ų | 70 | 53.5 Ų | 53.5 | 37% | 0.374 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.8 | -34.1 | -174.9 | -68.2 | -33.3 | 0 | 0 | 0 | 113.3 | S515 L516 V580 R583 | D513-S515 PolarHBondContact O-N 3.36Å; D513-L516 PolarHBondContact O-N 3.08Å; D513-V580 HydrophobicContact CB-CG2 4.11Å; D513-V580 WeakPolarHBondContact OD1-CG2 3.48Å; D513-R583 IonicContact OD1-CZ 3.86Å; D513-R583 IonicContact OD1-NH1 2.78Å; D513-R583 PolarHBondContact OD1-NH1 2.85Å; D513-R583 IonicContact OD1-NH2 2.65Å; D513-R583 PolarHBondContact OD1-NH2 2.96Å; D513-R583 IonicContact OD2-NH1 3.97Å |
| 514 | D | 70.5 | Confident | 77.4 | Confident | 135 Ų | 135 | 56.8 Ų | 56.8 | 72% | 0.722 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -63.6 | -41 | 179.9 | -56.8 | -37.9 | 0 | 0 | 0 | 112.1 | G512 L516 Q517 | G512-D514 VanDerWaalsContact C-N 3.28Å; G512-D514 PolarHBondContact O-N 2.98Å; D514-L516 VanDerWaalsContact C-N 3.27Å; D514-L516 PolarHBondContact O-N 2.81Å; D514-Q517 PolarHBondContact O-N 3.1Å |
| 515 | S | 69.8 | Low | 75.8 | Confident | 62 Ų | 62 | 57.2 Ų | 57.2 | 43% | 0.434 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -72.7 | -15.5 | 179.6 | 54.5 | 0 | 0 | 0 | 0 | 114.4 | I511 G512 D513 | I511-S515 WeakPolarHBondContact CG2-OG 3.48Å; G512-S515 PolarHBondContact O-N 3.35Å; G512-S515 PolarHBondContact O-OG 2.76Å; D513-S515 PolarHBondContact O-N 3.36Å |
| 516 | L | 71.3 | Confident | 74.5 | Confident | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -84.4 | -21.3 | 175.9 | -70.9 | 168.2 | 0 | 0 | 0 | 112.1 | I511 D513 D514 E518 T519 K582 R583 L586 | I511-L516 HydrophobicContact CG2-CD1 4.19Å; I511-L516 HydrophobicContact CG2-CD2 3.85Å; I511-L516 HydrophobicContact CG2-CG 3.67Å; D513-L516 PolarHBondContact O-N 3.08Å; D514-L516 VanDerWaalsContact C-N 3.27Å; D514-L516 PolarHBondContact O-N 2.81Å; L516-E518 VanDerWaalsContact C-N 3.26Å; L516-E518 PolarHBondContact O-N 3.3Å; L516-T519 PolarHBondContact O-N 2.85Å; L516-T519 PolarHBondContact O-OG1 3.42Å; L516-K582 WeakPolarHBondContact O-CD 3.05Å; L516-K582 PolarHBondContact O-NZ 3.46Å; L516-R583 HydrophobicContact CD1-CB 3.97Å; L516-L586 HydrophobicContact CD2-CD1 3.98Å |
| 517 | Q | 61.8 | Low | 72.9 | Confident | 144 Ų | 144 | 60.7 Ų | 60.7 | 67% | 0.673 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -66.4 | -30.9 | -179.8 | -67.7 | -171.7 | 4.7 | 0 | 0 | 112.4 | D514 K582 | D514-Q517 PolarHBondContact O-N 3.1Å; Q517-K582 PolarHBondContact O-NZ 2.88Å |
| 518 | E | 59.9 | Low | 70.9 | Confident | 183 Ų | 183 | 64.9 Ų | 64.9 | 86% | 0.855 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -86.2 | -14 | -178.8 | -62.9 | -176.3 | 169.2 | 0 | 0 | 114.3 | L516 | L516-E518 VanDerWaalsContact C-N 3.26Å; L516-E518 PolarHBondContact O-N 3.3Å |
| 519 | T | 68.5 | Low | 68.7 | Low | 35 Ų | 35 | 72.3 Ų | 72.3 | 22% | 0.215 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -87.1 | 138.9 | -176.2 | 48.7 | 0 | 0 | 0 | 0 | 113.1 | L516 V521 K582 | L516-T519 PolarHBondContact O-N 2.85Å; L516-T519 PolarHBondContact O-OG1 3.42Å; T519-V521 PolarHBondContact O-N 3.19Å; T519-K582 PolarHBondContact O-NZ 3.49Å |
| 520 | D | 66.6 | Low | 66 | Low | 108 Ų | 108 | 76 Ų | 76 | 58% | 0.578 | 41% | 0.406 | S | S | * | . | trans | -81 | 106.1 | 173.4 | -175.3 | 23.4 | 0 | 0 | 0 | 109.1 | Q484 | Q484-D520 VanDerWaalsContact CB-O 3.28Å; Q484-D520 WeakPolarHBondContact CB-O 3.27Å; Q484-D520 WeakPolarHBondContact CG-O 3.42Å; Q484-D520 PolarHBondContact NE2-OD2 2.96Å; Q484-D520 PolarHBondContact OE1-O 2.73Å | ||
| 521 | V | 76.2 | Confident | 63.3 | Low | 6 Ų | 6 | 80.4 Ų | 80.4 | 4% | 0.036 | 43% | 0.425 | C | S | . | . | trans | -126 | 130 | -174 | 174.9 | 0 | 0 | 0 | 0 | 107.2 | Q487 T519 M523 K582 A585 L586 | Q487-V521 VanDerWaalsContact OE1-CG1 3.29Å; T519-V521 PolarHBondContact O-N 3.19Å; V521-M523 PolarHBondContact O-N 3.31Å; V521-K582 HydrophobicContact CB-CG 4.45Å; V521-A585 HydrophobicContact CG1-CB 3.83Å; V521-L586 HydrophobicContact CG1-CD2 3.92Å; V521-L586 HydrophobicContact CG1-CG 4.08Å | ||
| 522 | S | 72.6 | Confident | 60.6 | Low | 35 Ų | 35 | 84.8 Ų | 84.8 | 25% | 0.245 | 46% | 0.457 | C | S | . | . | trans | -65.8 | 121.2 | 176.6 | 174 | 0 | 0 | 0 | 0 | 109.6 | Q487 A585 | Q487-S522 PolarHBondContact NE2-O 3.22Å; S522-A585 VanDerWaalsContact O-CB 3.31Å; S522-A585 WeakPolarHBondContact O-CB 3.27Å | ||
| 523 | M | 72.9 | Confident | 58.4 | Low | 86 Ų | 86 | 89.7 Ų | 89.7 | 42% | 0.424 | 48% | 0.479 | S | S | . | . | trans | -96.3 | 7.8 | -178.6 | -58.1 | -160.5 | -143.1 | 0 | 0 | 113.6 | V521 S525 V526 K582 | V521-M523 PolarHBondContact O-N 3.31Å; M523-S525 PolarHBondContact O-N 2.87Å; M523-V526 PolarHBondContact O-N 2.86Å; M523-K582 HydrophobicContact CE-CG 4.15Å | ||
| 524 | E | 65.9 | Low | 56.1 | Low | 101 Ų | 101 | 95.4 Ų | 95.4 | 47% | 0.472 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -22.6 | -174.8 | -65.8 | 177.4 | -176.9 | 0 | 0 | 114.6 | I637 H638 | E524-I637 HydrophobicContact CB-CB 4.5Å; E524-I637 HydrophobicContact CB-CD1 4.43Å; E524-I637 HydrophobicContact CG-CD1 4.32Å; E524-I637 PolarHBondContact O-N 3.49Å; E524-H638 PolarHBondContact O-N 2.85Å |
| 525 | S | 58.6 | Low | 54.1 | Low | 9 Ų | 9 | 95.6 Ų | 95.6 | 6% | 0.063 | 50% | 0.504 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 1.4 | 179.4 | 64.6 | 0 | 0 | 0 | 0 | 114.1 | M523 N588 H638 | M523-S525 PolarHBondContact O-N 2.87Å; S525-N588 PolarHBondContact O-ND2 2.84Å; S525-H638 WeakPolarHBondContact CA-O 3.31Å; S525-H638 WeakPolarHBondContact CB-O 3.5Å |
| 526 | V | 63.2 | Low | 52 | Low | 22 Ų | 22 | 101.8 Ų | 101.8 | 13% | 0.133 | 53% | 0.526 | C | S | . | . | S | Bend | trans | -110.9 | 142.3 | -176.4 | -176 | 0 | 0 | 0 | 0 | 110.6 | M523 P581 A584 A585 | M523-V526 PolarHBondContact O-N 2.86Å; V526-P581 HydrophobicContact CG1-CB 4.07Å; V526-P581 WeakPolarHBondContact CG2-O 3.34Å; V526-A584 HydrophobicContact CG1-CB 4.43Å; V526-A584 HydrophobicContact CG2-CB 4.09Å; V526-A585 VanDerWaalsContact CG2-CA 3.45Å; V526-A585 HydrophobicContact CG2-CB 3.53Å; V526-A585 VanDerWaalsContact CG2-N 3.31Å |
| 527 | F | 58.8 | Low | 50 | Low | 118 Ų | 118 | 110.8 Ų | 110.8 | 52% | 0.518 | 57% | 0.565 | S | S | . | * | trans | -80.1 | 123.6 | 176.4 | -178.2 | -114 | 0 | 0 | 0 | 111.5 | Y529 P635 | F527-Y529 HydrophobicContact CD1-CD2 4.49Å; F527-P635 HydrophobicContact CD2-CB 3.54Å; F527-P635 HydrophobicContact CD2-CG 3.24Å; F527-P635 HydrophobicContact CE2-CB 3.42Å; F527-P635 VanDerWaalsContact CE2-CB 3.42Å; F527-P635 HydrophobicContact CE2-CG 3.12Å; F527-P635 HydrophobicContact CG-CG 4.03Å; F527-P635 HydrophobicContact CZ-CB 4.5Å; F527-P635 HydrophobicContact CZ-CG 3.86Å | ||
| 528 | D | 48 | Very low | 48.2 | Very low | 116 Ų | 116 | 111.7 Ų | 111.7 | 62% | 0.62 | 57% | 0.571 | S | S | * | * | trans | -83.3 | 127.6 | 176.9 | -96.1 | -21 | 0 | 0 | 0 | 111.9 | S530 | D528-S530 VanDerWaalsContact C-N 3.27Å; D528-S530 PolarHBondContact O-N 2.7Å | ||
| 529 | Y | 44.8 | Very low | 46.4 | Very low | 156 Ų | 156 | 110.2 Ų | 110.2 | 61% | 0.612 | 56% | 0.564 | S | S | * | * | trans | -80.8 | 3.1 | 178.9 | -114.1 | -89.8 | 0 | 0 | 0 | 114.2 | F527 T575 | F527-Y529 HydrophobicContact CD1-CD2 4.49Å; Y529-T575 PolarHBondContact OH-O 2.77Å | ||
| 530 | S | 31.2 | Very low | 44.7 | Very low | 82 Ų | 82 | 118 Ų | 118 | 57% | 0.573 | 60% | 0.598 | S | S | * | * | trans | -105.4 | 16.9 | -156.4 | 58.4 | 0 | 0 | 0 | 0 | 117.5 | D528 | D528-S530 VanDerWaalsContact C-N 3.27Å; D528-S530 PolarHBondContact O-N 2.7Å | ||
| 531 | N | 29.6 | Very low | 42.6 | Very low | 158 Ų | 158 | 120 Ų | 120 | 85% | 0.845 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -147.3 | 76.7 | 174.9 | -83.9 | -35.1 | 0 | 0 | 0 | 113.6 | ||
| 532 | S | 28.4 | Very low | 40.3 | Very low | 114 Ų | 114 | 126.2 Ų | 126.2 | 80% | 0.797 | 64% | 0.642 | S | S | * | * | trans | -165.1 | 61.2 | 149.4 | 65.7 | 0 | 0 | 0 | 0 | 111 | H534 | S532-H534 VanDerWaalsContact C-N 3.33Å; S532-H534 PolarHBondContact O-N 2.75Å | ||
| 533 | V | 30.7 | Very low | 38 | Very low | 142 Ų | 142 | 132 Ų | 132 | 86% | 0.861 | 67% | 0.666 | S | S | * | * | trans | -90.3 | 83.4 | 153.4 | -177.3 | 0 | 0 | 0 | 0 | 106 | ||||
| 534 | H | 27.9 | Very low | 36 | Very low | 190 Ų | 190 | 134.8 Ų | 134.8 | 88% | 0.88 | 68% | 0.681 | S | S | * | * | trans | -114.5 | 110.7 | 153.4 | -98.5 | -50.9 | 0 | 0 | 0 | 108.3 | S532 E536 | S532-H534 VanDerWaalsContact C-N 3.33Å; S532-H534 PolarHBondContact O-N 2.75Å; H534-E536 PolarHBondContact O-N 3.38Å | ||
| 535 | D | 29.1 | Very low | 34.1 | Very low | 140 Ų | 140 | 137.1 Ų | 137.1 | 75% | 0.749 | 70% | 0.695 | S | S | * | * | trans | -70.4 | 98.6 | 176.9 | -156.6 | 6.5 | 0 | 0 | 0 | 108.2 | ||||
| 536 | E | 25.9 | Very low | 32.7 | Very low | 191 Ų | 191 | 144.3 Ų | 144.3 | 89% | 0.893 | 73% | 0.728 | S | S | * | * | trans | -128.1 | 104.4 | 157.2 | -81.9 | -167.1 | 168.8 | 0 | 0 | 109 | H534 M538 | H534-E536 PolarHBondContact O-N 3.38Å; E536-M538 PolarHBondContact O-N 2.8Å | ||
| 537 | K | 29.7 | Very low | 31.1 | Very low | 191 Ų | 191 | 150.6 Ų | 150.6 | 83% | 0.83 | 76% | 0.761 | S | S | * | * | trans | -61.9 | 117.2 | 161.3 | -69.9 | 173.4 | 177.1 | 173.6 | 0 | 108.6 | ||||
| 538 | M | 22.7 | Very low | 30 | Very low | 163 Ų | 163 | 148 Ų | 148 | 80% | 0.803 | 77% | 0.768 | S | S | * | * | trans | -156.7 | 117 | 147.8 | -110.5 | -175 | 101.3 | 0 | 0 | 111.9 | E536 | E536-M538 PolarHBondContact O-N 2.8Š| ||
| 539 | E | 23.7 | Very low | 29.1 | Very low | 151 Ų | 151 | 150.2 Ų | 150.2 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | trans | 46.3 | 114.3 | 152.1 | -66.7 | 178.8 | 165.1 | 0 | 0 | 120.7 | Q541 | E539-Q541 PolarHBondContact O-N 3.02Š| ||
| 540 | E | 32.6 | Very low | 28.4 | Very low | 199 Ų | 199 | 150.3 Ų | 150.3 | 93% | 0.93 | 78% | 0.784 | S | S | * | * | trans | -51.2 | 101.9 | 152.8 | -74.6 | 176.3 | 148.3 | 0 | 0 | 110.1 | ||||
| 541 | Q | 22.5 | Very low | 28.5 | Very low | 151 Ų | 151 | 151.9 Ų | 151.9 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | trans | -118.3 | 98 | 148.7 | -72.2 | -172.1 | 0.1 | 0 | 0 | 107.6 | E539 E543 | E539-Q541 PolarHBondContact O-N 3.02Å; Q541-E543 PolarHBondContact O-N 2.83Å | ||
| 542 | T | 28.3 | Very low | 28.7 | Very low | 136 Ų | 136 | 153.4 Ų | 153.4 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | trans | -61.9 | 80.7 | 159.8 | 42 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 543 | E | 23.8 | Very low | 28.9 | Very low | 156 Ų | 156 | 157 Ų | 157 | 73% | 0.729 | 80% | 0.798 | S | S | * | * | trans | -103 | 87.4 | 154.4 | -80.6 | -167.8 | 164.4 | 0 | 0 | 107.8 | Q541 L545 | Q541-E543 PolarHBondContact O-N 2.83Å; E543-L545 VanDerWaalsContact C-N 3.26Å; E543-L545 PolarHBondContact O-N 2.83Å | ||
| 544 | I | 29.9 | Very low | 28.8 | Very low | 145 Ų | 145 | 158.3 Ų | 158.3 | 74% | 0.744 | 80% | 0.8 | S | S | * | * | trans | -58.5 | 100.9 | 152.7 | -61.9 | 167.3 | 0 | 0 | 0 | 104.7 | Q546 | I544-Q546 HydrophobicContact CG2-CG 4.34Å; I544-Q546 PolarHBondContact O-N 3Å | ||
| 545 | L | 26.8 | Very low | 29.1 | Very low | 149 Ų | 149 | 158.7 Ų | 158.7 | 78% | 0.78 | 80% | 0.799 | S | S | * | * | trans | -66.8 | 88.8 | 168.3 | -121.9 | 146.6 | 0 | 0 | 0 | 106.6 | E543 N547 | E543-L545 VanDerWaalsContact C-N 3.26Å; E543-L545 PolarHBondContact O-N 2.83Å; L545-N547 PolarHBondContact O-N 2.75Å | ||
| 546 | Q | 28.6 | Very low | 28.9 | Very low | 160 Ų | 160 | 158.3 Ų | 158.3 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | trans | -57 | 102.3 | 168.4 | -78.4 | -179.5 | -21 | 0 | 0 | 107.6 | I544 G548 | I544-Q546 HydrophobicContact CG2-CG 4.34Å; I544-Q546 PolarHBondContact O-N 3Å; Q546-G548 VanDerWaalsContact C-N 3.3Å; Q546-G548 PolarHBondContact O-N 2.79Å | ||
| 547 | N | 29.6 | Very low | 29.1 | Very low | 154 Ų | 154 | 154.1 Ų | 154.1 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | trans | -65.1 | 103.2 | 149.7 | -80.6 | -20.6 | 0 | 0 | 0 | 105.7 | L545 F549 | L545-N547 PolarHBondContact O-N 2.75Å; N547-F549 PolarHBondContact O-N 2.87Å | ||
| 548 | G | 36.1 | Very low | 29.1 | Very low | 65 Ų | 65 | 152.2 Ų | 152.2 | 67% | 0.67 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -59.9 | 100.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q546 | Q546-G548 VanDerWaalsContact C-N 3.3Å; Q546-G548 PolarHBondContact O-N 2.79Å |
| 549 | F | 29.7 | Very low | 29.3 | Very low | 161 Ų | 161 | 150.5 Ų | 150.5 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | trans | -161.1 | 105.5 | 158.1 | -116.7 | -84.1 | 0 | 0 | 0 | 108.3 | N547 | N547-F549 PolarHBondContact O-N 2.87Š| ||
| 550 | N | 30.4 | Very low | 29.4 | Very low | 159 Ų | 159 | 151.2 Ų | 151.2 | 85% | 0.85 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 118.3 | 161.1 | -89.1 | -17 | 0 | 0 | 0 | 107.1 | ||
| 551 | P | 32.7 | Very low | 29.3 | Very low | 114 Ų | 114 | 150.5 Ų | 150.5 | 74% | 0.74 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -80 | 129.9 | 163.7 | 30.8 | -25.6 | 0 | 0 | 0 | 108.2 | ||
| 552 | E | 32.5 | Very low | 29.5 | Very low | 190 Ų | 190 | 151.5 Ų | 151.5 | 89% | 0.888 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 139.8 | 170.5 | -67.4 | -161 | 158.1 | 0 | 0 | 110.7 | D554 | E552-D554 PolarHBondContact O-N 2.83Å; E552-D554 VanDerWaalsContact O-N 3.12Å |
| 553 | E | 32.8 | Very low | 29.5 | Very low | 189 Ų | 189 | 152.9 Ų | 152.9 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | trans | -65.4 | 102.8 | 176.6 | -65.7 | 179.2 | 160.1 | 0 | 0 | 110.6 | ||||
| 554 | D | 28.7 | Very low | 29.5 | Very low | 170 Ų | 170 | 153 Ų | 153 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | trans | -84.7 | 116.1 | 163.3 | -109 | -20.8 | 0 | 0 | 0 | 110.5 | E552 C556 | E552-D554 PolarHBondContact O-N 2.83Å; E552-D554 VanDerWaalsContact O-N 3.12Å; D554-C556 PolarHBondContact O-N 2.85Å | ||
| 555 | K | 34 | Very low | 29.4 | Very low | 198 Ų | 198 | 156 Ų | 156 | 86% | 0.861 | 82% | 0.824 | S | S | * | * | trans | -60.3 | 122.4 | -176.4 | -65.9 | 173.4 | 178.5 | 174.4 | 0 | 111.6 | ||||
| 556 | C | 25.8 | Very low | 29.3 | Very low | 133 Ų | 133 | 158.3 Ų | 158.3 | 90% | 0.899 | 83% | 0.828 | S | S | * | * | trans | -117.9 | 96 | 152.1 | -154.4 | 0 | 0 | 0 | 0 | 108.8 | D554 N558 | D554-C556 PolarHBondContact O-N 2.85Å; C556-N558 PolarHBondContact O-N 2.75Å | ||
| 557 | S | 29.8 | Very low | 29.7 | Very low | 103 Ų | 103 | 156.1 Ų | 156.1 | 72% | 0.72 | 83% | 0.827 | S | S | * | * | trans | -75.7 | 108.6 | 173.7 | 53.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 558 | N | 29.4 | Very low | 29.5 | Very low | 151 Ų | 151 | 157.6 Ų | 157.6 | 81% | 0.807 | 83% | 0.829 | S | S | * | * | trans | 153.8 | 98.4 | 132.4 | -94.9 | -11.8 | 0 | 0 | 0 | 110.5 | C556 | C556-N558 PolarHBondContact O-N 2.75Š| ||
| 559 | C | 26.6 | Very low | 29.1 | Very low | 126 Ų | 126 | 161.3 Ų | 161.3 | 85% | 0.851 | 83% | 0.834 | S | S | * | * | trans | 179.6 | 63.3 | 131 | -91.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 560 | D | 27.1 | Very low | 29.1 | Very low | 166 Ų | 166 | 161.4 Ų | 161.4 | 89% | 0.888 | 84% | 0.837 | S | S | * | * | trans | -132.5 | 99.3 | 159.9 | -82.7 | -37.9 | 0 | 0 | 0 | 107.2 | ||||
| 561 | Q | 29.8 | Very low | 29 | Very low | 185 Ų | 185 | 160.4 Ų | 160.4 | 86% | 0.864 | 84% | 0.836 | S | S | * | * | trans | -145.8 | 123.2 | 152.6 | -106.5 | 172 | 11.8 | 0 | 0 | 108.6 | ||||
| 562 | E | 26.5 | Very low | 29 | Very low | 172 Ų | 172 | 164.6 Ų | 164.6 | 80% | 0.804 | 84% | 0.843 | S | S | * | * | S | Bend | trans | 80.5 | 111 | 166.2 | -62.2 | -170.5 | -179.8 | 0 | 0 | 115.5 | ||
| 563 | L | 27.9 | Very low | 29.1 | Very low | 164 Ų | 164 | 163.4 Ų | 163.4 | 86% | 0.859 | 84% | 0.837 | S | S | * | * | cis | -154.6 | 137.8 | 34.4 | -84.5 | 128 | 0 | 0 | 0 | 113.3 | ||||
| 564 | N | 25.6 | Very low | 29.5 | Very low | 158 Ų | 158 | 159.9 Ų | 159.9 | 85% | 0.845 | 83% | 0.833 | S | S | * | * | trans | -65.6 | 123.4 | 162.5 | -83.9 | -60.2 | 0 | 0 | 0 | 112.3 | ||||
| 565 | K | 27.5 | Very low | 30.7 | Very low | 208 Ų | 208 | 156.2 Ų | 156.2 | 90% | 0.904 | 82% | 0.817 | S | S | * | * | trans | -146.9 | 124.3 | 140 | -78.5 | -170 | 180 | 173.8 | 0 | 109.3 | ||||
| 566 | K | 23.3 | Very low | 32.2 | Very low | 199 Ų | 199 | 151.1 Ų | 151.1 | 87% | 0.865 | 81% | 0.807 | S | S | * | * | trans | -79.1 | -179.9 | 169.1 | -63.1 | -177.8 | 164.7 | 179.7 | 0 | 110.5 | ||||
| 567 | P | 38.8 | Very low | 34.7 | Very low | 113 Ų | 113 | 147 Ų | 147 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | -130.6 | 125.7 | -80.4 | 35.6 | -16.9 | 0 | 0 | 0 | 110.9 | |||||
| 568 | Q | 24.2 | Very low | 37.2 | Very low | 185 Ų | 185 | 144.5 Ų | 144.5 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | trans | -141.2 | 119.4 | 165.9 | -77.9 | -168.8 | -52.8 | 0 | 0 | 111.3 | ||||
| 569 | D | 29 | Very low | 39.9 | Very low | 144 Ų | 144 | 137.7 Ų | 137.7 | 77% | 0.77 | 72% | 0.724 | S | S | * | * | S | Bend | trans | 58.9 | 75.6 | 151.1 | -60.7 | -28.1 | 0 | 0 | 0 | 120 | ||
| 570 | E | 28.3 | Very low | 42.7 | Very low | 163 Ų | 163 | 134 Ų | 134 | 76% | 0.762 | 70% | 0.697 | S | S | * | * | trans | -144.7 | 22.1 | 154.1 | -72.7 | -167.6 | 178.5 | 0 | 0 | 114.4 | K572 | E570-K572 VanDerWaalsContact C-N 3.27Å; E570-K572 PolarHBondContact O-N 3.21Å | ||
| 571 | T | 29.2 | Very low | 45.3 | Very low | 137 Ų | 137 | 129.4 Ų | 129.4 | 84% | 0.84 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -81.4 | 73.1 | 165.9 | 26.1 | 0 | 0 | 0 | 0 | 109.9 | ||
| 572 | K | 31.8 | Very low | 47.8 | Very low | 202 Ų | 202 | 122.2 Ų | 122.2 | 88% | 0.878 | 64% | 0.643 | S | S | * | * | trans | 173.2 | 67.7 | 161 | -98.6 | 165.8 | -171.7 | -174 | 0 | 112 | E570 | E570-K572 VanDerWaalsContact C-N 3.27Å; E570-K572 PolarHBondContact O-N 3.21Å | ||
| 573 | E | 35.3 | Very low | 50.7 | Low | 166 Ų | 166 | 114.9 Ų | 114.9 | 78% | 0.776 | 61% | 0.607 | S | S | * | * | trans | -137.9 | 12.6 | 170.5 | -96 | -163.1 | 174.5 | 0 | 0 | 115.6 | ||||
| 574 | S | 40.6 | Very low | 53.5 | Low | 114 Ų | 114 | 107.2 Ų | 107.2 | 80% | 0.797 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -104.3 | 17 | -171.3 | 69.4 | 0 | 0 | 0 | 0 | 116.7 | ||
| 575 | T | 53.7 | Low | 56.3 | Low | 93 Ų | 93 | 99.7 Ų | 99.7 | 57% | 0.571 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -124.2 | -5.8 | -175.8 | 49.3 | 0 | 0 | 0 | 0 | 116.4 | Y529 | Y529-T575 PolarHBondContact OH-O 2.77Š|
| 576 | S | 66.9 | Low | 59.2 | Low | 92 Ų | 92 | 89.8 Ų | 89.8 | 64% | 0.643 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -92.2 | 135.1 | 177.6 | 55 | 0 | 0 | 0 | 0 | 112.3 | ||
| 577 | C | 77.6 | Confident | 62.3 | Low | 47 Ų | 47 | 80.3 Ų | 80.3 | 32% | 0.318 | 44% | 0.443 | S | S | . | . | trans | -57.5 | 132.8 | 173.4 | -177.3 | 0 | 0 | 0 | 0 | 110.4 | V579 F621 | C577-V579 PolarHBondContact O-N 2.62Å; C577-V579 PolarHBondContact SG-O 3.42Å; C577-F621 HydrophobicContact CB-CD1 4.5Å; C577-F621 HydrophobicContact CB-CE1 3.87Å; C577-F621 HydrophobicContact CB-CE2 4.38Å; C577-F621 HydrophobicContact CB-CZ 3.8Å | ||
| 578 | P | 81.8 | Confident | 64.8 | Low | 50 Ų | 50 | 75 Ų | 75 | 33% | 0.325 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -72.1 | -7 | -177.2 | 29.2 | -35.9 | 0 | 0 | 0 | 113.8 | Y618 F621 | P578-Y618 HydrophobicContact CG-CD2 4.23Å; P578-F621 HydrophobicContact CG-CB 4.1Å; P578-F621 HydrophobicContact CG-CG 4.47Å |
| 579 | V | 85.9 | Confident | 67.7 | Low | 8 Ų | 8 | 66.3 Ų | 66.3 | 5% | 0.048 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -134.3 | 151.7 | 179.5 | -62.6 | 0 | 0 | 0 | 0 | 110.6 | C577 R583 A584 L614 Y618 | C577-V579 PolarHBondContact O-N 2.62Å; C577-V579 PolarHBondContact SG-O 3.42Å; V579-R583 HydrophobicContact CB-CB 4.31Å; V579-R583 HydrophobicContact CB-CG 4.42Å; V579-A584 HydrophobicContact CG2-CB 3.96Å; V579-L614 HydrophobicContact CG1-CD1 4.12Å; V579-L614 HydrophobicContact CG1-CG 4.27Å; V579-Y618 HydrophobicContact CG2-CD2 3.34Å; V579-Y618 HydrophobicContact CG2-CE2 3.54Å; V579-Y618 HydrophobicContact CG2-CG 3.96Å |
| 580 | V | 85.4 | Confident | 70.7 | Confident | 48 Ų | 48 | 59.4 Ų | 59.4 | 29% | 0.291 | 33% | 0.332 | S | S | . | . | trans | -62.7 | 144.9 | 175.3 | -179.3 | 0 | 0 | 0 | 0 | 110.3 | D513 K582 R583 A584 | D513-V580 HydrophobicContact CB-CG2 4.11Å; D513-V580 WeakPolarHBondContact OD1-CG2 3.48Å; V580-K582 VanDerWaalsContact C-N 3.28Å; V580-K582 PolarHBondContact O-N 2.68Å; V580-K582 VanDerWaalsContact O-N 3.14Å; V580-R583 WeakPolarHBondContact O-CA 2.85Å; V580-R583 WeakPolarHBondContact O-CB 3.28Å; V580-R583 PolarHBondContact O-N 2.92Å; V580-A584 PolarHBondContact O-N 2.94Å | ||
| 581 | P | 82.7 | Confident | 73.6 | Confident | 70 Ų | 70 | 51.7 Ų | 51.7 | 46% | 0.455 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -49.4 | -42 | -177.7 | -32.1 | 36.6 | 0 | 0 | 0 | 114.7 | V526 R583 A584 A585 | V526-P581 HydrophobicContact CG1-CB 4.07Å; V526-P581 WeakPolarHBondContact CG2-O 3.34Å; P581-R583 PolarHBondContact O-N 3.48Å; P581-A584 VanDerWaalsContact O-CB 3.32Å; P581-A584 WeakPolarHBondContact O-CB 3.39Å; P581-A584 PolarHBondContact O-N 2.82Å; P581-A585 PolarHBondContact O-N 2.86Å |
| 582 | K | 82.1 | Confident | 76.3 | Confident | 34 Ų | 34 | 48.6 Ų | 48.6 | 15% | 0.148 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.5 | -36.7 | 176.9 | -69 | -176.4 | 177.8 | -170.3 | 0 | 113.2 | L516 Q517 T519 V521 M523 V580 A585 L586 | L516-K582 WeakPolarHBondContact O-CD 3.05Å; L516-K582 PolarHBondContact O-NZ 3.46Å; Q517-K582 PolarHBondContact O-NZ 2.88Å; T519-K582 PolarHBondContact O-NZ 3.49Å; V521-K582 HydrophobicContact CB-CG 4.45Å; M523-K582 HydrophobicContact CE-CG 4.15Å; V580-K582 VanDerWaalsContact C-N 3.28Å; V580-K582 PolarHBondContact O-N 2.68Å; V580-K582 VanDerWaalsContact O-N 3.14Å; K582-A585 PolarHBondContact O-N 2.79Å; K582-L586 WeakPolarHBondContact O-CG 3.27Å; K582-L586 PolarHBondContact O-N 2.84Å |
| 583 | R | 86.9 | Confident | 79 | Confident | 17 Ų | 17 | 39.4 Ų | 39.4 | 6% | 0.064 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67 | -40.4 | 172.9 | -171.5 | -177.3 | -74.6 | 122.5 | 13.5 | 110.4 | F508 I511 D513 L516 V579 V580 P581 A585 L586 L587 | F508-R583 PolarHBondContact O-NE 3.25Å; I511-R583 PolarHBondContact O-NH2 3.19Å; D513-R583 IonicContact OD1-CZ 3.86Å; D513-R583 IonicContact OD1-NH1 2.78Å; D513-R583 PolarHBondContact OD1-NH1 2.85Å; D513-R583 IonicContact OD1-NH2 2.65Å; D513-R583 PolarHBondContact OD1-NH2 2.96Å; D513-R583 IonicContact OD2-NH1 3.97Å; L516-R583 HydrophobicContact CD1-CB 3.97Å; V579-R583 HydrophobicContact CB-CB 4.31Å; V579-R583 HydrophobicContact CB-CG 4.42Å; V580-R583 WeakPolarHBondContact O-CA 2.85Å; V580-R583 WeakPolarHBondContact O-CB 3.28Å; V580-R583 PolarHBondContact O-N 2.92Å; P581-R583 PolarHBondContact O-N 3.48Å; R583-A585 VanDerWaalsContact C-N 3.31Å; R583-A585 PolarHBondContact O-N 2.8Å; R583-L586 PolarHBondContact O-N 3.12Å; R583-L587 HydrophobicContact CG-CD1 4.11Å; R583-L587 HydrophobicContact CG-CG 4.32Å; R583-L587 WeakPolarHBondContact O-CG 3.41Å; R583-L587 PolarHBondContact O-N 2.87Å |
| 584 | A | 86.3 | Confident | 81.3 | Confident | 3 Ų | 3 | 35.1 Ų | 35.1 | 3% | 0.025 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -56.3 | -44.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | V526 V579 V580 P581 L586 L587 N588 Y618 | V526-A584 HydrophobicContact CG1-CB 4.43Å; V526-A584 HydrophobicContact CG2-CB 4.09Å; V579-A584 HydrophobicContact CG2-CB 3.96Å; V580-A584 PolarHBondContact O-N 2.94Å; P581-A584 VanDerWaalsContact O-CB 3.32Å; P581-A584 WeakPolarHBondContact O-CB 3.39Å; P581-A584 PolarHBondContact O-N 2.82Å; A584-L586 VanDerWaalsContact C-N 3.29Å; A584-L586 PolarHBondContact O-N 3.04Å; A584-L587 PolarHBondContact O-N 2.9Å; A584-N588 WeakPolarHBondContact O-CB 3.4Å; A584-N588 PolarHBondContact O-N 2.9Å; A584-N588 PolarHBondContact O-OD1 3.13Å; A584-Y618 HydrophobicContact CB-CE2 3.89Å; A584-Y618 VanDerWaalsContact CB-OH 3.24Å; A584-Y618 WeakPolarHBondContact CB-OH 3.4Å |
| 585 | A | 85.5 | Confident | 83.6 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.5 | -40.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | V521 S522 V526 P581 K582 R583 A589 | V521-A585 HydrophobicContact CG1-CB 3.83Å; S522-A585 VanDerWaalsContact O-CB 3.31Å; S522-A585 WeakPolarHBondContact O-CB 3.27Å; V526-A585 VanDerWaalsContact CG2-CA 3.45Å; V526-A585 HydrophobicContact CG2-CB 3.53Å; V526-A585 VanDerWaalsContact CG2-N 3.31Å; P581-A585 PolarHBondContact O-N 2.86Å; K582-A585 PolarHBondContact O-N 2.79Å; R583-A585 VanDerWaalsContact C-N 3.31Å; R583-A585 PolarHBondContact O-N 2.8Å; A585-A589 PolarHBondContact O-N 3.34Å |
| 586 | L | 87.5 | Confident | 85.3 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -72.4 | -41.5 | -179.6 | -62.5 | 168.1 | 0 | 0 | 0 | 112.3 | V483 Q487 F508 L516 V521 K582 R583 A584 N588 A589 I590 | V483-L586 HydrophobicContact CG1-CD1 3.22Å; V483-L586 HydrophobicContact CG1-CD2 3.35Å; V483-L586 HydrophobicContact CG1-CG 3.88Å; Q487-L586 HydrophobicContact CB-CD2 3.83Å; Q487-L586 HydrophobicContact CG-CD2 4Å; F508-L586 HydrophobicContact CB-CB 4.32Å; F508-L586 HydrophobicContact CD1-CB 4.41Å; F508-L586 HydrophobicContact CD1-CD1 4.22Å; F508-L586 HydrophobicContact CD2-CB 3.59Å; F508-L586 HydrophobicContact CE1-CD2 4.3Å; F508-L586 HydrophobicContact CE2-CB 3.91Å; F508-L586 HydrophobicContact CE2-CD2 4.32Å; F508-L586 HydrophobicContact CG-CB 3.88Å; F508-L586 HydrophobicContact CG-CD1 4.33Å; F508-L586 HydrophobicContact CZ-CB 4.46Å; F508-L586 HydrophobicContact CZ-CD2 4.12Å; L516-L586 HydrophobicContact CD2-CD1 3.98Å; V521-L586 HydrophobicContact CG1-CD2 3.92Å; V521-L586 HydrophobicContact CG1-CG 4.08Å; K582-L586 WeakPolarHBondContact O-CG 3.27Å; K582-L586 PolarHBondContact O-N 2.84Å; R583-L586 PolarHBondContact O-N 3.12Å; A584-L586 VanDerWaalsContact C-N 3.29Å; A584-L586 PolarHBondContact O-N 3.04Å; L586-N588 VanDerWaalsContact C-N 3.3Å; L586-A589 WeakPolarHBondContact O-CB 3.23Å; L586-A589 PolarHBondContact O-N 2.78Å; L586-I590 PolarHBondContact O-N 2.86Å |
| 587 | L | 89.8 | Confident | 86.2 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.7 | -39.1 | 174.3 | -66.1 | 176.5 | 0 | 0 | 0 | 110.8 | L505 L509 R583 A584 A589 I590 L591 F615 Y618 | L505-L587 HydrophobicContact CD1-CD2 3.68Å; L509-L587 HydrophobicContact CD2-CD1 4.19Å; L509-L587 HydrophobicContact CD2-CD2 3.78Å; L509-L587 HydrophobicContact CG-CD2 4.08Å; R583-L587 HydrophobicContact CG-CD1 4.11Å; R583-L587 HydrophobicContact CG-CG 4.32Å; R583-L587 WeakPolarHBondContact O-CG 3.41Å; R583-L587 PolarHBondContact O-N 2.87Å; A584-L587 PolarHBondContact O-N 2.9Å; L587-A589 VanDerWaalsContact C-N 3.32Å; L587-A589 PolarHBondContact O-N 3.4Å; L587-I590 WeakPolarHBondContact O-CB 3.37Å; L587-I590 PolarHBondContact O-N 3.34Å; L587-I590 VanDerWaalsContact O-N 3.11Å; L587-L591 PolarHBondContact O-N 2.84Å; L587-L591 VanDerWaalsContact O-N 3.09Å; L587-F615 HydrophobicContact CB-CE2 4.13Å; L587-F615 HydrophobicContact CD1-CD2 4.08Å; L587-F615 HydrophobicContact CD1-CE2 4.35Å; L587-F615 HydrophobicContact CD2-CD2 4.11Å; L587-F615 HydrophobicContact CD2-CE2 4.06Å; L587-F615 HydrophobicContact CG-CE2 4.4Å; L587-Y618 HydrophobicContact CB-CD1 4.23Å; L587-Y618 HydrophobicContact CB-CE1 3.86Å; L587-Y618 HydrophobicContact CD1-CD1 3.73Å; L587-Y618 HydrophobicContact CD1-CE1 4.06Å; L587-Y618 HydrophobicContact CD1-CG 4.28Å |
| 588 | N | 89.5 | Confident | 86.6 | Confident | 3 Ų | 3 | 33.5 Ų | 33.5 | 2% | 0.016 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.2 | -38.2 | 174.2 | -71.3 | -7.7 | 0 | 0 | 0 | 111.5 | S525 A584 L586 I590 L591 H592 Y618 P640 | S525-N588 PolarHBondContact O-ND2 2.84Å; A584-N588 WeakPolarHBondContact O-CB 3.4Å; A584-N588 PolarHBondContact O-N 2.9Å; A584-N588 PolarHBondContact O-OD1 3.13Å; L586-N588 VanDerWaalsContact C-N 3.3Å; N588-I590 PolarHBondContact O-N 2.77Å; N588-L591 PolarHBondContact O-N 2.81Å; N588-L591 VanDerWaalsContact O-N 3.08Å; N588-H592 PolarHBondContact O-N 3.48Å; N588-H592 VanDerWaalsContact O-N 3.11Å; N588-H592 PolarHBondContact O-ND1 3.13Å; N588-Y618 PolarHBondContact ND2-OH 2.83Å; N588-Y618 PolarHBondContact OD1-OH 3.43Å; N588-P640 HydrophobicContact CB-CG 3.92Å; N588-P640 VanDerWaalsContact CG-CG 3.44Å; N588-P640 WeakPolarHBondContact OD1-CG 3.47Å |
| 589 | A | 86.8 | Confident | 86.9 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.008 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.3 | -33.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q487 L490 Q491 A585 L586 L587 S593 | Q487-A589 HydrophobicContact CG-CB 4.04Å; L490-A589 HydrophobicContact CB-CB 4.38Å; Q491-A589 HydrophobicContact CG-CB 4.48Å; A585-A589 PolarHBondContact O-N 3.34Å; L586-A589 WeakPolarHBondContact O-CB 3.23Å; L586-A589 PolarHBondContact O-N 2.78Å; L587-A589 VanDerWaalsContact C-N 3.32Å; L587-A589 PolarHBondContact O-N 3.4Å; A589-S593 PolarHBondContact O-N 3.09Å |
| 590 | I | 90.8 | Very high | 87.1 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -71.1 | -41.1 | 174.5 | -64.4 | 169.2 | 0 | 0 | 0 | 111.2 | L490 T501 L505 F508 L586 L587 N588 H592 S593 W648 | L490-I590 HydrophobicContact CD1-CG1 4Å; T501-I590 HydrophobicContact CG2-CG2 4.01Å; L505-I590 HydrophobicContact CB-CD1 3.67Å; L505-I590 HydrophobicContact CD1-CD1 3.57Å; L505-I590 HydrophobicContact CG-CD1 4.2Å; F508-I590 HydrophobicContact CD2-CD1 3.46Å; F508-I590 VanDerWaalsContact CD2-CD1 3.46Å; F508-I590 HydrophobicContact CD2-CG1 4.17Å; F508-I590 HydrophobicContact CE2-CD1 3.89Å; F508-I590 HydrophobicContact CE2-CG1 4.14Å; L586-I590 PolarHBondContact O-N 2.86Å; L587-I590 WeakPolarHBondContact O-CB 3.37Å; L587-I590 PolarHBondContact O-N 3.34Å; L587-I590 VanDerWaalsContact O-N 3.11Å; N588-I590 PolarHBondContact O-N 2.77Å; I590-H592 PolarHBondContact O-N 2.96Å; I590-S593 WeakPolarHBondContact O-CB 3.49Å; I590-S593 PolarHBondContact O-N 3.43Å; I590-S593 PolarHBondContact O-OG 3.25Å; I590-W648 HydrophobicContact CG2-CH2 3.54Å; I590-W648 HydrophobicContact CG2-CZ2 3.81Å; I590-W648 HydrophobicContact CG2-CZ3 4.24Å |
| 591 | L | 89.5 | Confident | 87.3 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.6 | -28 | 177.1 | -63.2 | 178.2 | 0 | 0 | 0 | 113.2 | L587 N588 F615 L619 L622 P640 Q644 W648 | L587-L591 PolarHBondContact O-N 2.84Å; L587-L591 VanDerWaalsContact O-N 3.09Å; N588-L591 PolarHBondContact O-N 2.81Å; N588-L591 VanDerWaalsContact O-N 3.08Å; L591-F615 HydrophobicContact CD2-CZ 3.99Å; L591-L619 HydrophobicContact CD1-CD2 3.79Å; L591-L619 HydrophobicContact CD2-CD2 3.87Å; L591-L619 HydrophobicContact CG-CD2 4.44Å; L591-L622 HydrophobicContact CD1-CD1 4.13Å; L591-P640 HydrophobicContact CB-CB 4.32Å; L591-P640 HydrophobicContact CB-CG 4.44Å; L591-P640 HydrophobicContact CD1-CB 3.89Å; L591-P640 HydrophobicContact CD1-CG 3.8Å; L591-Q644 PolarHBondContact O-NE2 2.84Å; L591-W648 HydrophobicContact CD2-CB 3.81Å; L591-W648 VanDerWaalsContact CD2-CD1 3.41Å; L591-W648 HydrophobicContact CD2-CD2 3.74Å; L591-W648 HydrophobicContact CD2-CG 3.35Å |
| 592 | H | 86.8 | Confident | 87.7 | Confident | 71 Ų | 71 | 36.4 Ų | 36.4 | 33% | 0.329 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | -14.2 | 176 | -65.3 | 101.6 | 0 | 0 | 0 | 113.7 | N588 I590 H638 | N588-H592 PolarHBondContact O-N 3.48Å; N588-H592 VanDerWaalsContact O-N 3.11Å; N588-H592 PolarHBondContact O-ND1 3.13Å; I590-H592 PolarHBondContact O-N 2.96Å; H592-H638 PolarHBondContact CE1-O 3.04Å |
| 593 | S | 87.1 | Confident | 88 | Confident | 10 Ų | 10 | 37.9 Ų | 37.9 | 7% | 0.07 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -67.9 | 141.1 | -179.8 | 68.6 | 0 | 0 | 0 | 0 | 111.5 | T501 A589 I590 | T501-S593 WeakPolarHBondContact CG2-OG 3.13Å; A589-S593 PolarHBondContact O-N 3.09Å; I590-S593 WeakPolarHBondContact O-CB 3.49Å; I590-S593 PolarHBondContact O-N 3.43Å; I590-S593 PolarHBondContact O-OG 3.25Å |
| 594 | A | 84.9 | Confident | 88.1 | Confident | 76 Ų | 76 | 37 Ų | 37 | 63% | 0.628 | 20% | 0.202 | S | C | * | . | trans | -71 | 138 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 595 | Y | 89.1 | Confident | 88.2 | Confident | 68 Ų | 68 | 43 Ų | 43 | 27% | 0.267 | 23% | 0.228 | S | C | . | . | trans | -145.5 | 155.4 | 179.5 | 65 | -92.9 | 0 | 0 | 0 | 111.7 | L600 D647 W648 L651 | Y595-L600 HydrophobicContact CD2-CD2 3.88Å; Y595-L600 HydrophobicContact CG-CD2 3.95Å; Y595-D647 VanDerWaalsContact OH-CB 3.29Å; Y595-D647 WeakPolarHBondContact OH-CB 3.24Å; Y595-W648 HydrophobicContact CD1-CZ2 4.13Å; Y595-W648 HydrophobicContact CE1-CZ2 4.4Å; Y595-W648 AromaticContact CE1-NE1 3.46Å; Y595-L651 HydrophobicContact CD2-CD1 4.2Å; Y595-L651 HydrophobicContact CE2-CD1 3.43Å; Y595-L651 VanDerWaalsContact CE2-CD1 3.43Å | ||
| 596 | S | 88.3 | Confident | 88.3 | Confident | 45 Ų | 45 | 48 Ų | 48 | 32% | 0.315 | 25% | 0.254 | S | S | . | . | trans | -107.9 | 125.7 | 163.8 | -177.7 | 0 | 0 | 0 | 0 | 110.2 | E498 T598 F599 L600 | E498-S596 WeakPolarHBondContact OE1-CB 3.46Å; E498-S596 PolarHBondContact OE1-N 2.89Å; S596-T598 VanDerWaalsContact C-N 3.28Å; S596-T598 PolarHBondContact O-N 3.04Å; S596-T598 PolarHBondContact OG-OG1 2.86Å; S596-F599 PolarHBondContact O-N 2.71Å; S596-F599 VanDerWaalsContact O-N 3.13Å; S596-L600 WeakPolarHBondContact O-CB 3.41Å; S596-L600 PolarHBondContact O-N 2.93Å | ||
| 597 | E | 86.8 | Confident | 88.3 | Confident | 101 Ų | 101 | 48.3 Ų | 48.3 | 47% | 0.472 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -54 | -42.3 | -178.2 | 172.6 | 172.3 | -168.6 | 0 | 0 | 112.9 | F599 L600 L601 L651 | E597-F599 VanDerWaalsContact C-N 3.27Å; E597-F599 PolarHBondContact O-N 2.94Å; E597-L600 PolarHBondContact O-N 2.83Å; E597-L601 HydrophobicContact CG-CD1 3.66Å; E597-L601 HydrophobicContact CG-CG 4.12Å; E597-L601 WeakPolarHBondContact O-CB 3.06Å; E597-L601 VanDerWaalsContact O-CG 3.27Å; E597-L601 WeakPolarHBondContact O-CG 3.16Å; E597-L601 PolarHBondContact O-N 2.89Å; E597-L601 VanDerWaalsContact O-N 3.07Å; E597-L651 HydrophobicContact CB-CD2 4.05Å; E597-L651 HydrophobicContact CG-CD2 3.55Å |
| 598 | T | 85.8 | Confident | 88.3 | Confident | 98 Ų | 98 | 51.5 Ų | 51.5 | 60% | 0.601 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -63.4 | -32.6 | -178.4 | 50.4 | 0 | 0 | 0 | 0 | 113.1 | S596 P602 | S596-T598 VanDerWaalsContact C-N 3.28Å; S596-T598 PolarHBondContact O-N 3.04Å; S596-T598 PolarHBondContact OG-OG1 2.86Å; T598-P602 WeakPolarHBondContact O-CD 3.39Å |
| 599 | F | 87.7 | Confident | 88.1 | Confident | 130 Ų | 130 | 52.7 Ų | 52.7 | 57% | 0.57 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -92.7 | -28 | -179.4 | -64.5 | -70.4 | 0 | 0 | 0 | 112.6 | E498 S596 E597 H603 | E498-F599 HydrophobicContact CG-CB 4.25Å; S596-F599 PolarHBondContact O-N 2.71Å; S596-F599 VanDerWaalsContact O-N 3.13Å; E597-F599 VanDerWaalsContact C-N 3.27Å; E597-F599 PolarHBondContact O-N 2.94Å; F599-H603 PolarHBondContact O-CD2 2.96Å |
| 600 | L | 90.7 | Very high | 88.1 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -75.4 | -42.3 | 178.5 | -170.5 | 66.7 | 0 | 0 | 0 | 112.8 | E498 C502 Y595 S596 E597 H603 L604 W648 L651 | E498-L600 HydrophobicContact CB-CB 4.25Å; E498-L600 HydrophobicContact CB-CD1 3.85Å; E498-L600 HydrophobicContact CG-CB 4Å; E498-L600 HydrophobicContact CG-CD1 4.11Å; C502-L600 VanDerWaalsContact SG-CD1 3.51Å; Y595-L600 HydrophobicContact CD2-CD2 3.88Å; Y595-L600 HydrophobicContact CG-CD2 3.95Å; S596-L600 WeakPolarHBondContact O-CB 3.41Å; S596-L600 PolarHBondContact O-N 2.93Å; E597-L600 PolarHBondContact O-N 2.83Å; L600-H603 PolarHBondContact O-N 3.45Å; L600-L604 HydrophobicContact CD1-CG 4.42Å; L600-L604 HydrophobicContact CD2-CD1 4Å; L600-L604 HydrophobicContact CG-CD1 3.82Å; L600-L604 HydrophobicContact CG-CG 3.97Å; L600-L604 PolarHBondContact O-N 2.88Å; L600-L604 VanDerWaalsContact O-N 3.11Å; L600-W648 HydrophobicContact CD1-CH2 4.49Å; L600-W648 HydrophobicContact CD2-CH2 3.87Å; L600-W648 HydrophobicContact CD2-CZ2 4.24Å; L600-W648 HydrophobicContact CD2-CZ3 4.18Å; L600-L651 HydrophobicContact CD2-CD1 4.17Å |
| 601 | L | 89.8 | Confident | 88 | Confident | 38 Ų | 38 | 61.8 Ų | 61.8 | 20% | 0.199 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -53.8 | -44.6 | -174.1 | -80.9 | 170.6 | 0 | 0 | 0 | 114.5 | E597 H603 L604 L651 D654 A655 | E597-L601 HydrophobicContact CG-CD1 3.66Å; E597-L601 HydrophobicContact CG-CG 4.12Å; E597-L601 WeakPolarHBondContact O-CB 3.06Å; E597-L601 VanDerWaalsContact O-CG 3.27Å; E597-L601 WeakPolarHBondContact O-CG 3.16Å; E597-L601 PolarHBondContact O-N 2.89Å; E597-L601 VanDerWaalsContact O-N 3.07Å; L601-H603 VanDerWaalsContact C-N 3.3Å; L601-H603 PolarHBondContact O-N 3.43Å; L601-L604 PolarHBondContact O-N 2.92Å; L601-L651 HydrophobicContact CD2-CD2 4.21Å; L601-L651 HydrophobicContact CG-CD2 4.32Å; L601-D654 HydrophobicContact CD2-CB 4.17Å; L601-A655 HydrophobicContact CD2-CB 4Å |
| 602 | P | 89.6 | Confident | 88 | Confident | 67 Ų | 67 | 61.8 Ų | 61.8 | 44% | 0.435 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.1 | -39 | 176.2 | -24.5 | 34.5 | 0 | 0 | 0 | 113.2 | T598 | T598-P602 WeakPolarHBondContact O-CD 3.39Å |
| 603 | H | 89.4 | Confident | 88.1 | Confident | 65 Ų | 65 | 58.6 Ų | 58.6 | 30% | 0.301 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -78 | -27.9 | -176.5 | -64.3 | -54.8 | 0 | 0 | 0 | 113.4 | C502 F599 L600 L601 K605 D606 | C502-H603 HydrophobicContact CB-CB 3.86Å; C502-H603 VanDerWaalsContact SG-CB 3.52Å; F599-H603 PolarHBondContact O-CD2 2.96Å; L600-H603 PolarHBondContact O-N 3.45Å; L601-H603 VanDerWaalsContact C-N 3.3Å; L601-H603 PolarHBondContact O-N 3.43Å; H603-K605 VanDerWaalsContact C-N 3.28Å; H603-K605 PolarHBondContact O-N 3.18Å; H603-D606 PolarHBondContact O-N 3.09Å |
| 604 | L | 89.6 | Confident | 88.2 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -68.2 | -25.3 | 174.3 | -70.5 | 176.2 | 0 | 0 | 0 | 113.2 | L505 L600 L601 D606 I607 W648 L651 L652 A655 N656 | L505-L604 HydrophobicContact CD2-CD2 4.16Å; L600-L604 HydrophobicContact CD1-CG 4.42Å; L600-L604 HydrophobicContact CD2-CD1 4Å; L600-L604 HydrophobicContact CG-CD1 3.82Å; L600-L604 HydrophobicContact CG-CG 3.97Å; L600-L604 PolarHBondContact O-N 2.88Å; L600-L604 VanDerWaalsContact O-N 3.11Å; L601-L604 PolarHBondContact O-N 2.92Å; L604-D606 PolarHBondContact O-N 3Å; L604-I607 HydrophobicContact CD2-CD1 3.73Å; L604-I607 PolarHBondContact O-N 3.08Å; L604-W648 HydrophobicContact CD2-CZ3 4.22Å; L604-L651 HydrophobicContact CD1-CB 4.17Å; L604-L652 HydrophobicContact CD2-CD2 4.24Å; L604-A655 HydrophobicContact CB-CB 3.74Å; L604-N656 PolarHBondContact O-ND2 2.86Å |
| 605 | K | 87.9 | Confident | 88.5 | Confident | 129 Ų | 129 | 56.7 Ų | 56.7 | 56% | 0.561 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -24.2 | 175.2 | -69.4 | 178.7 | 179.3 | -179.5 | 0 | 113 | H603 I607 A655 | H603-K605 VanDerWaalsContact C-N 3.28Å; H603-K605 PolarHBondContact O-N 3.18Å; K605-I607 VanDerWaalsContact C-N 3.25Å; K605-I607 PolarHBondContact O-N 3.49Å; K605-A655 HydrophobicContact CG-CB 4.19Å; K605-A655 WeakPolarHBondContact CG-O 3.49Å |
| 606 | D | 87.3 | Confident | 88.5 | Confident | 104 Ų | 104 | 53.5 Ų | 53.5 | 56% | 0.556 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | 3.1 | -178.3 | -61.8 | -30.9 | 0 | 0 | 0 | 112.8 | K506 H603 L604 | K506-D606 WeakPolarHBondContact CE-O 3.4Å; K506-D606 PolarHBondContact NZ-O 3.28Å; H603-D606 PolarHBondContact O-N 3.09Å; L604-D606 PolarHBondContact O-N 3Å |
| 607 | I | 87.9 | Confident | 88.5 | Confident | 7 Ų | 7 | 55.5 Ų | 55.5 | 4% | 0.036 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -88.9 | 133.3 | -179.9 | -57.9 | 178.3 | 0 | 0 | 0 | 109.4 | L505 K506 L604 K605 H611 I612 | L505-I607 HydrophobicContact CD2-CD1 3.62Å; L505-I607 HydrophobicContact CG-CD1 4.21Å; K506-I607 HydrophobicContact CD-CG1 4.35Å; K506-I607 HydrophobicContact CG-CG1 3.89Å; L604-I607 HydrophobicContact CD2-CD1 3.73Å; L604-I607 PolarHBondContact O-N 3.08Å; K605-I607 VanDerWaalsContact C-N 3.25Å; K605-I607 PolarHBondContact O-N 3.49Å; I607-H611 HydrophobicContact CG2-CB 3.97Å; I607-I612 HydrophobicContact CB-CD1 3.76Å; I607-I612 HydrophobicContact CB-CG1 4Å; I607-I612 HydrophobicContact CD1-CD1 4.17Å; I607-I612 HydrophobicContact CG2-CD1 3.72Å; I607-I612 HydrophobicContact CG2-CG1 3.81Å |
| 608 | P | 89.1 | Confident | 88.7 | Confident | 67 Ų | 67 | 50.9 Ų | 50.9 | 44% | 0.435 | 26% | 0.261 | S | S | . | . | trans | -56.8 | 139.7 | 177.1 | -26 | 34.5 | 0 | 0 | 0 | 113.3 | Q610 H611 I612 | P608-Q610 PolarHBondContact O-N 2.8Å; P608-Q610 VanDerWaalsContact O-N 3.14Å; P608-H611 WeakPolarHBondContact O-CB 3.44Å; P608-H611 PolarHBondContact O-N 2.96Å; P608-I612 PolarHBondContact O-N 3.17Å; P608-I612 VanDerWaalsContact O-N 3.07Å | ||
| 609 | A | 85.8 | Confident | 88.8 | Confident | 28 Ų | 28 | 46.2 Ų | 46.2 | 23% | 0.231 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.7 | -32.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | I612 T613 V659 M663 | A609-I612 PolarHBondContact O-N 2.92Å; A609-T613 WeakPolarHBondContact O-CB 3.48Å; A609-T613 PolarHBondContact O-N 3.31Å; A609-T613 PolarHBondContact O-OG1 2.96Å; A609-V659 HydrophobicContact CB-CG1 3.47Å; A609-V659 VanDerWaalsContact CB-CG1 3.47Å; A609-M663 HydrophobicContact CB-SD 3.52Å; A609-M663 VanDerWaalsContact CB-SD 3.52Å |
| 610 | Q | 86.4 | Confident | 88.8 | Confident | 148 Ų | 148 | 41.9 Ų | 41.9 | 69% | 0.692 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -64 | -43.9 | 175.5 | -68.1 | 176.5 | -9.4 | 0 | 0 | 111.6 | P608 T613 L614 | P608-Q610 PolarHBondContact O-N 2.8Å; P608-Q610 VanDerWaalsContact O-N 3.14Å; Q610-T613 PolarHBondContact O-N 2.89Å; Q610-L614 PolarHBondContact O-N 2.91Å |
| 611 | H | 89.6 | Confident | 88.7 | Confident | 44 Ų | 44 | 43.4 Ų | 43.4 | 20% | 0.204 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.5 | -39.3 | 177.3 | -69.2 | -44.2 | 0 | 0 | 0 | 111.7 | L509 I607 P608 T613 L614 F615 | L509-H611 HydrophobicContact CB-CB 3.95Å; L509-H611 HydrophobicContact CD1-CB 3.88Å; L509-H611 HydrophobicContact CG-CB 4.48Å; L509-H611 PolarHBondContact O-CE1 3.18Å; L509-H611 PolarHBondContact O-ND1 3.01Å; I607-H611 HydrophobicContact CG2-CB 3.97Å; P608-H611 WeakPolarHBondContact O-CB 3.44Å; P608-H611 PolarHBondContact O-N 2.96Å; H611-T613 PolarHBondContact O-N 2.83Å; H611-L614 PolarHBondContact O-N 2.86Å; H611-F615 WeakPolarHBondContact O-CB 3.46Å; H611-F615 PolarHBondContact O-N 3.37Å |
| 612 | I | 88.8 | Confident | 88.4 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60 | -45.4 | 172.7 | -66.3 | -66.5 | 0 | 0 | 0 | 111.1 | I607 P608 A609 L614 F615 L616 L652 N656 V660 | I607-I612 HydrophobicContact CB-CD1 3.76Å; I607-I612 HydrophobicContact CB-CG1 4Å; I607-I612 HydrophobicContact CD1-CD1 4.17Å; I607-I612 HydrophobicContact CG2-CD1 3.72Å; I607-I612 HydrophobicContact CG2-CG1 3.81Å; P608-I612 PolarHBondContact O-N 3.17Å; P608-I612 VanDerWaalsContact O-N 3.07Å; A609-I612 PolarHBondContact O-N 2.92Å; I612-L614 PolarHBondContact O-N 3.03Å; I612-F615 PolarHBondContact O-N 3.47Å; I612-L616 HydrophobicContact CG2-CD1 3.91Å; I612-L616 HydrophobicContact CG2-CG 4.4Å; I612-L616 WeakPolarHBondContact O-CB 3.43Å; I612-L616 WeakPolarHBondContact O-CG 3.15Å; I612-L616 PolarHBondContact O-N 3.42Å; I612-L652 HydrophobicContact CD1-CD2 3.6Å; I612-N656 HydrophobicContact CG2-CB 4.35Å; I612-V660 HydrophobicContact CG2-CG2 3.94Å |
| 613 | T | 87.6 | Confident | 88.2 | Confident | 3 Ų | 3 | 39.9 Ų | 39.9 | 2% | 0.018 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.4 | -40.4 | 179.8 | -56.9 | 0 | 0 | 0 | 0 | 111.6 | A609 Q610 H611 K617 M663 A666 | A609-T613 WeakPolarHBondContact O-CB 3.48Å; A609-T613 PolarHBondContact O-N 3.31Å; A609-T613 PolarHBondContact O-OG1 2.96Å; Q610-T613 PolarHBondContact O-N 2.89Å; H611-T613 PolarHBondContact O-N 2.83Å; T613-K617 VanDerWaalsContact O-CG 3.31Å; T613-K617 WeakPolarHBondContact O-CG 3.42Å; T613-K617 PolarHBondContact O-N 3.04Å; T613-M663 HydrophobicContact CG2-CE 4.35Å; T613-M663 WeakPolarHBondContact OG1-CE 3.43Å; T613-A666 HydrophobicContact CG2-CB 4.42Å |
| 614 | L | 89.3 | Confident | 87.9 | Confident | 46 Ų | 46 | 39.6 Ų | 39.6 | 24% | 0.241 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.4 | -44.3 | 174.3 | -179.4 | 64.6 | 0 | 0 | 0 | 111.5 | L509 V579 Q610 H611 I612 K617 Y618 | L509-L614 HydrophobicContact CD2-CD2 4.39Å; V579-L614 HydrophobicContact CG1-CD1 4.12Å; V579-L614 HydrophobicContact CG1-CG 4.27Å; Q610-L614 PolarHBondContact O-N 2.91Å; H611-L614 PolarHBondContact O-N 2.86Å; I612-L614 PolarHBondContact O-N 3.03Å; L614-K617 PolarHBondContact O-N 3.17Å; L614-Y618 PolarHBondContact O-N 2.94Å |
| 615 | F | 91.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.2 | -42.1 | 179.9 | -169.5 | -146.7 | 0 | 0 | 0 | 111.7 | L505 L509 L587 L591 H611 I612 K617 Y618 L619 W648 L652 | L505-F615 HydrophobicContact CD1-CD1 4.15Å; L505-F615 HydrophobicContact CD1-CE1 3.95Å; L505-F615 HydrophobicContact CD1-CZ 4.16Å; L505-F615 HydrophobicContact CD2-CD1 4.24Å; L505-F615 HydrophobicContact CD2-CE1 4Å; L509-F615 HydrophobicContact CD1-CB 4.17Å; L509-F615 HydrophobicContact CD2-CB 4.21Å; L587-F615 HydrophobicContact CB-CE2 4.13Å; L587-F615 HydrophobicContact CD1-CD2 4.08Å; L587-F615 HydrophobicContact CD1-CE2 4.35Å; L587-F615 HydrophobicContact CD2-CD2 4.11Å; L587-F615 HydrophobicContact CD2-CE2 4.06Å; L587-F615 HydrophobicContact CG-CE2 4.4Å; L591-F615 HydrophobicContact CD2-CZ 3.99Å; H611-F615 WeakPolarHBondContact O-CB 3.46Å; H611-F615 PolarHBondContact O-N 3.37Å; I612-F615 PolarHBondContact O-N 3.47Å; F615-K617 PolarHBondContact O-N 2.97Å; F615-Y618 HydrophobicContact CD2-CD1 4.25Å; F615-Y618 HydrophobicContact CE2-CD1 4.28Å; F615-Y618 WeakPolarHBondContact O-CB 3.47Å; F615-Y618 PolarHBondContact O-N 3.5Å; F615-Y618 VanDerWaalsContact O-N 3.12Å; F615-L619 HydrophobicContact CD1-CD1 4.46Å; F615-L619 HydrophobicContact CD2-CG 4.29Å; F615-L619 HydrophobicContact CE1-CD1 4.27Å; F615-L619 HydrophobicContact CE2-CD1 4.35Å; F615-L619 HydrophobicContact CE2-CD2 4.05Å; F615-L619 HydrophobicContact CE2-CG 4.12Å; F615-L619 HydrophobicContact CZ-CD1 4.21Å; F615-L619 HydrophobicContact CZ-CD2 4.29Å; F615-L619 HydrophobicContact CZ-CG 4.42Å; F615-L619 WeakPolarHBondContact O-CG 3.39Å; F615-L619 PolarHBondContact O-N 2.85Å; F615-W648 AromaticContact CE1-CE3 3.9Å; F615-W648 HydrophobicContact CE1-CE3 3.9Å; F615-W648 HydrophobicContact CE1-CZ3 4.23Å; F615-W648 HydrophobicContact CZ-CE3 4.34Å; F615-L652 HydrophobicContact CD1-CD1 3.44Å; F615-L652 VanDerWaalsContact CD1-CD1 3.44Å; F615-L652 HydrophobicContact CD1-CD2 3.99Å; F615-L652 HydrophobicContact CD1-CG 4.33Å; F615-L652 HydrophobicContact CE1-CD1 3.77Å; F615-L652 HydrophobicContact CE1-CD2 4.35Å; F615-L652 HydrophobicContact CG-CD1 4.26Å |
| 616 | L | 89.1 | Confident | 87.2 | Confident | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.9 | -39.9 | 172.8 | -78.6 | 172.6 | 0 | 0 | 0 | 112.7 | I612 Y618 L619 Y620 L652 L653 V660 L669 | I612-L616 HydrophobicContact CG2-CD1 3.91Å; I612-L616 HydrophobicContact CG2-CG 4.4Å; I612-L616 WeakPolarHBondContact O-CB 3.43Å; I612-L616 WeakPolarHBondContact O-CG 3.15Å; I612-L616 PolarHBondContact O-N 3.42Å; L616-Y618 VanDerWaalsContact C-N 3.31Å; L616-Y618 PolarHBondContact O-N 3.43Å; L616-L619 PolarHBondContact O-N 2.9Å; L616-Y620 WeakPolarHBondContact O-CB 3.21Å; L616-Y620 PolarHBondContact O-N 3.46Å; L616-L652 HydrophobicContact CD2-CB 3.87Å; L616-L652 HydrophobicContact CD2-CD1 3.85Å; L616-L652 HydrophobicContact CG-CB 4.31Å; L616-L652 HydrophobicContact CG-CD1 4.14Å; L616-L653 HydrophobicContact CD1-CD2 4.28Å; L616-V660 HydrophobicContact CD1-CG1 4.32Å; L616-V660 HydrophobicContact CD1-CG2 4.33Å; L616-L669 HydrophobicContact CB-CD2 3.82Å; L616-L669 HydrophobicContact CD1-CD2 4.41Å |
| 617 | K | 89 | Confident | 86.5 | Confident | 86 Ų | 86 | 32.7 Ų | 32.7 | 37% | 0.374 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -60.9 | -41.1 | 172.9 | -77 | 173.7 | 179.6 | 177.9 | 0 | 111.5 | T613 L614 F615 F621 L669 | T613-K617 VanDerWaalsContact O-CG 3.31Å; T613-K617 WeakPolarHBondContact O-CG 3.42Å; T613-K617 PolarHBondContact O-N 3.04Å; L614-K617 PolarHBondContact O-N 3.17Å; F615-K617 PolarHBondContact O-N 2.97Å; K617-F621 WeakPolarHBondContact O-CB 3.29Å; K617-F621 PolarHBondContact O-N 2.96Å; K617-L669 HydrophobicContact CB-CD1 4.3Å; K617-L669 HydrophobicContact CG-CD1 3.7Å |
| 618 | Y | 90.3 | Very high | 85.9 | Confident | 4 Ų | 4 | 38.2 Ų | 38.2 | 2% | 0.016 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66 | -46.2 | 176.6 | 177.2 | -116.5 | 0 | 0 | 0 | 112.7 | P578 V579 A584 L587 N588 L614 F615 L616 Y620 F621 L622 | P578-Y618 HydrophobicContact CG-CD2 4.23Å; V579-Y618 HydrophobicContact CG2-CD2 3.34Å; V579-Y618 HydrophobicContact CG2-CE2 3.54Å; V579-Y618 HydrophobicContact CG2-CG 3.96Å; A584-Y618 HydrophobicContact CB-CE2 3.89Å; A584-Y618 VanDerWaalsContact CB-OH 3.24Å; A584-Y618 WeakPolarHBondContact CB-OH 3.4Å; L587-Y618 HydrophobicContact CB-CD1 4.23Å; L587-Y618 HydrophobicContact CB-CE1 3.86Å; L587-Y618 HydrophobicContact CD1-CD1 3.73Å; L587-Y618 HydrophobicContact CD1-CE1 4.06Å; L587-Y618 HydrophobicContact CD1-CG 4.28Å; N588-Y618 PolarHBondContact ND2-OH 2.83Å; N588-Y618 PolarHBondContact OD1-OH 3.43Å; L614-Y618 PolarHBondContact O-N 2.94Å; F615-Y618 HydrophobicContact CD2-CD1 4.25Å; F615-Y618 HydrophobicContact CE2-CD1 4.28Å; F615-Y618 WeakPolarHBondContact O-CB 3.47Å; F615-Y618 PolarHBondContact O-N 3.5Å; F615-Y618 VanDerWaalsContact O-N 3.12Å; L616-Y618 VanDerWaalsContact C-N 3.31Å; L616-Y618 PolarHBondContact O-N 3.43Å; Y618-Y620 VanDerWaalsContact C-N 3.32Å; Y618-Y620 PolarHBondContact O-N 3Å; Y618-F621 HydrophobicContact CD2-CD1 4.5Å; Y618-F621 WeakPolarHBondContact O-CB 3.48Å; Y618-F621 PolarHBondContact O-N 2.94Å; Y618-F621 VanDerWaalsContact O-N 3.15Å; Y618-L622 HydrophobicContact CD1-CD1 4.26Å; Y618-L622 HydrophobicContact CE1-CD1 3.62Å; Y618-L622 HydrophobicContact CE1-CG 4.18Å; Y618-L622 HydrophobicContact CE2-CD1 4.35Å; Y618-L622 HydrophobicContact CE2-CD2 4.09Å; Y618-L622 HydrophobicContact CE2-CG 4.04Å; Y618-L622 PolarHBondContact O-N 3.11Å |
| 619 | L | 89.3 | Confident | 84.9 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.8 | -39.7 | 176.4 | -65.5 | 174.6 | 0 | 0 | 0 | 112.2 | L591 F615 L616 F621 L622 Y623 I645 W648 I649 L652 | L591-L619 HydrophobicContact CD1-CD2 3.79Å; L591-L619 HydrophobicContact CD2-CD2 3.87Å; L591-L619 HydrophobicContact CG-CD2 4.44Å; F615-L619 HydrophobicContact CD1-CD1 4.46Å; F615-L619 HydrophobicContact CD2-CG 4.29Å; F615-L619 HydrophobicContact CE1-CD1 4.27Å; F615-L619 HydrophobicContact CE2-CD1 4.35Å; F615-L619 HydrophobicContact CE2-CD2 4.05Å; F615-L619 HydrophobicContact CE2-CG 4.12Å; F615-L619 HydrophobicContact CZ-CD1 4.21Å; F615-L619 HydrophobicContact CZ-CD2 4.29Å; F615-L619 HydrophobicContact CZ-CG 4.42Å; F615-L619 WeakPolarHBondContact O-CG 3.39Å; F615-L619 PolarHBondContact O-N 2.85Å; L616-L619 PolarHBondContact O-N 2.9Å; L619-F621 VanDerWaalsContact C-N 3.33Å; L619-F621 PolarHBondContact O-N 3.1Å; L619-L622 HydrophobicContact CD2-CD1 4.5Å; L619-L622 PolarHBondContact O-N 3.43Å; L619-Y623 WeakPolarHBondContact O-CB 3.43Å; L619-Y623 PolarHBondContact O-N 3.21Å; L619-I645 HydrophobicContact CB-CG2 4.33Å; L619-I645 HydrophobicContact CD2-CG2 4.45Å; L619-I645 WeakPolarHBondContact O-CG2 3.16Å; L619-W648 HydrophobicContact CD1-CB 4Å; L619-I649 HydrophobicContact CB-CD1 4.04Å; L619-I649 HydrophobicContact CB-CG1 3.7Å; L619-I649 HydrophobicContact CD1-CG1 3.98Å; L619-I649 HydrophobicContact CG-CG1 4.47Å; L619-L652 HydrophobicContact CD1-CD1 3.49Å; L619-L652 VanDerWaalsContact CD1-CD1 3.49Å |
| 620 | Y | 86.6 | Confident | 83.7 | Confident | 39 Ų | 39 | 41.8 Ų | 41.8 | 15% | 0.153 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.2 | -39.2 | 173.8 | -178.6 | -112.3 | 0 | 0 | 0 | 112.2 | L616 Y618 Y623 L624 L669 N672 L673 L676 | L616-Y620 WeakPolarHBondContact O-CB 3.21Å; L616-Y620 PolarHBondContact O-N 3.46Å; Y618-Y620 VanDerWaalsContact C-N 3.32Å; Y618-Y620 PolarHBondContact O-N 3Å; Y620-Y623 PolarHBondContact O-N 2.53Å; Y620-L624 HydrophobicContact CD1-CD1 4.03Å; Y620-L624 HydrophobicContact CE1-CD1 3.5Å; Y620-L624 VanDerWaalsContact CE1-CD1 3.5Å; Y620-L624 HydrophobicContact CE1-CG 4.16Å; Y620-L624 HydrophobicContact CE2-CD1 4.5Å; Y620-L624 HydrophobicContact CE2-CD2 4.44Å; Y620-L624 HydrophobicContact CE2-CG 4.3Å; Y620-L624 WeakPolarHBondContact O-CG 3.47Å; Y620-L624 PolarHBondContact O-N 3.45Å; Y620-L669 HydrophobicContact CD1-CD1 4.27Å; Y620-L669 HydrophobicContact CG-CD1 4.28Å; Y620-N672 HydrophobicContact CE1-CB 4.36Å; Y620-N672 HydrophobicContact CE2-CB 4.36Å; Y620-L673 HydrophobicContact CD2-CD2 3.58Å; Y620-L673 HydrophobicContact CD2-CG 4.21Å; Y620-L673 HydrophobicContact CE2-CD2 4.15Å; Y620-L673 HydrophobicContact CG-CD2 4.49Å; Y620-L676 HydrophobicContact CE2-CD1 4.21Å |
| 621 | F | 88.1 | Confident | 82.5 | Confident | 34 Ų | 34 | 39.6 Ų | 39.6 | 15% | 0.149 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.9 | -46.6 | 172.7 | 169.3 | -94 | 0 | 0 | 0 | 112 | C577 P578 K617 Y618 L619 Y623 L624 K625 | C577-F621 HydrophobicContact CB-CD1 4.5Å; C577-F621 HydrophobicContact CB-CE1 3.87Å; C577-F621 HydrophobicContact CB-CE2 4.38Å; C577-F621 HydrophobicContact CB-CZ 3.8Å; P578-F621 HydrophobicContact CG-CB 4.1Å; P578-F621 HydrophobicContact CG-CG 4.47Å; K617-F621 WeakPolarHBondContact O-CB 3.29Å; K617-F621 PolarHBondContact O-N 2.96Å; Y618-F621 HydrophobicContact CD2-CD1 4.5Å; Y618-F621 WeakPolarHBondContact O-CB 3.48Å; Y618-F621 PolarHBondContact O-N 2.94Å; Y618-F621 VanDerWaalsContact O-N 3.15Å; L619-F621 VanDerWaalsContact C-N 3.33Å; L619-F621 PolarHBondContact O-N 3.1Å; F621-Y623 VanDerWaalsContact C-N 3.33Å; F621-Y623 PolarHBondContact O-N 3.44Å; F621-L624 PolarHBondContact O-N 3.19Å; F621-K625 HydrophobicContact CE1-CG 4.18Å; F621-K625 HydrophobicContact CE2-CG 4.2Å; F621-K625 HydrophobicContact CZ-CG 3.93Å; F621-K625 PolarHBondContact O-N 3.2Å; F621-K625 VanDerWaalsContact O-N 3.09Å |
| 622 | L | 85.1 | Confident | 81.6 | Confident | 12 Ų | 12 | 41.8 Ų | 41.8 | 6% | 0.063 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.5 | -44.8 | 176.1 | -70.8 | -178.7 | 0 | 0 | 0 | 111.4 | L591 Y618 L619 L624 K625 C626 L634 P640 I645 | L591-L622 HydrophobicContact CD1-CD1 4.13Å; Y618-L622 HydrophobicContact CD1-CD1 4.26Å; Y618-L622 HydrophobicContact CE1-CD1 3.62Å; Y618-L622 HydrophobicContact CE1-CG 4.18Å; Y618-L622 HydrophobicContact CE2-CD1 4.35Å; Y618-L622 HydrophobicContact CE2-CD2 4.09Å; Y618-L622 HydrophobicContact CE2-CG 4.04Å; Y618-L622 PolarHBondContact O-N 3.11Å; L619-L622 HydrophobicContact CD2-CD1 4.5Å; L619-L622 PolarHBondContact O-N 3.43Å; L622-L624 PolarHBondContact O-N 2.78Å; L622-K625 PolarHBondContact O-N 3.18Å; L622-C626 PolarHBondContact O-N 3.31Å; L622-C626 PolarHBondContact O-SG 3.08Å; L622-L634 HydrophobicContact CD2-CD1 4.08Å; L622-P640 HydrophobicContact CD1-CG 4.48Å; L622-I645 HydrophobicContact CB-CD1 3.82Å; L622-I645 HydrophobicContact CB-CG1 4.37Å; L622-I645 HydrophobicContact CD1-CD1 4.39Å; L622-I645 HydrophobicContact CD1-CG1 4.38Å |
| 623 | Y | 84.6 | Confident | 80.7 | Confident | 18 Ų | 18 | 45.7 Ų | 45.7 | 7% | 0.071 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -56.9 | -48 | 176 | 174.3 | -77.3 | 0 | 0 | 0 | 111.7 | L619 Y620 F621 K625 C626 S627 L642 M646 L676 Q680 | L619-Y623 WeakPolarHBondContact O-CB 3.43Å; L619-Y623 PolarHBondContact O-N 3.21Å; Y620-Y623 PolarHBondContact O-N 2.53Å; F621-Y623 VanDerWaalsContact C-N 3.33Å; F621-Y623 PolarHBondContact O-N 3.44Å; Y623-K625 VanDerWaalsContact C-N 3.27Å; Y623-K625 PolarHBondContact O-N 3.04Å; Y623-C626 WeakPolarHBondContact O-CB 3.47Å; Y623-C626 PolarHBondContact O-N 2.84Å; Y623-C626 VanDerWaalsContact O-N 3.13Å; Y623-S627 PolarHBondContact O-N 2.87Å; Y623-L642 HydrophobicContact CD2-CD1 3.62Å; Y623-L642 HydrophobicContact CE2-CD1 3.75Å; Y623-M646 HydrophobicContact CD2-CG 4.5Å; Y623-M646 HydrophobicContact CD2-SD 3.57Å; Y623-M646 VanDerWaalsContact CD2-SD 3.57Å; Y623-M646 HydrophobicContact CE2-SD 3.79Å; Y623-L676 HydrophobicContact CD1-CD1 3.61Å; Y623-L676 HydrophobicContact CD1-CD2 4.28Å; Y623-L676 HydrophobicContact CE1-CD1 3.11Å; Y623-L676 HydrophobicContact CE1-CD2 3.68Å; Y623-L676 HydrophobicContact CE1-CG 3.86Å; Y623-L676 HydrophobicContact CE2-CD2 3.99Å; Y623-L676 VanDerWaalsContact CZ-CD2 3.48Å; Y623-Q680 PolarHBondContact OH-NE2 3.08Å |
| 624 | L | 83.1 | Confident | 80.1 | Confident | 59 Ų | 59 | 46.7 Ų | 46.7 | 31% | 0.309 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.7 | -41.4 | 179.7 | -75.4 | 174.3 | 0 | 0 | 0 | 110.9 | Y620 F621 L622 S627 E628 | Y620-L624 HydrophobicContact CD1-CD1 4.03Å; Y620-L624 HydrophobicContact CE1-CD1 3.5Å; Y620-L624 VanDerWaalsContact CE1-CD1 3.5Å; Y620-L624 HydrophobicContact CE1-CG 4.16Å; Y620-L624 HydrophobicContact CE2-CD1 4.5Å; Y620-L624 HydrophobicContact CE2-CD2 4.44Å; Y620-L624 HydrophobicContact CE2-CG 4.3Å; Y620-L624 WeakPolarHBondContact O-CG 3.47Å; Y620-L624 PolarHBondContact O-N 3.45Å; F621-L624 PolarHBondContact O-N 3.19Å; L622-L624 PolarHBondContact O-N 2.78Å; L624-S627 WeakPolarHBondContact CA-OG 3.28Å; L624-S627 PolarHBondContact O-N 3.15Å; L624-S627 VanDerWaalsContact O-N 3.14Å; L624-S627 PolarHBondContact O-OG 2.98Å; L624-E628 PolarHBondContact O-N 2.92Å; L624-E628 VanDerWaalsContact O-N 3.17Å |
| 625 | K | 81.6 | Confident | 78.8 | Confident | 42 Ų | 42 | 47 Ų | 47 | 18% | 0.183 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.7 | -34.5 | 175.3 | -68.8 | -48.9 | -170.2 | -170.7 | 0 | 113.9 | F621 L622 Y623 S627 E628 L634 | F621-K625 HydrophobicContact CE1-CG 4.18Å; F621-K625 HydrophobicContact CE2-CG 4.2Å; F621-K625 HydrophobicContact CZ-CG 3.93Å; F621-K625 PolarHBondContact O-N 3.2Å; F621-K625 VanDerWaalsContact O-N 3.09Å; L622-K625 PolarHBondContact O-N 3.18Å; Y623-K625 VanDerWaalsContact C-N 3.27Å; Y623-K625 PolarHBondContact O-N 3.04Å; K625-S627 VanDerWaalsContact C-N 3.29Å; K625-S627 PolarHBondContact O-N 2.85Å; K625-E628 VanDerWaalsContact CD-OE2 3.3Å; K625-E628 WeakPolarHBondContact CD-OE2 3.44Å; K625-E628 IonicContact NZ-OE1 3.02Å; K625-E628 PolarHBondContact NZ-OE1 3.2Å; K625-E628 IonicContact NZ-OE2 3.46Å; K625-E628 PolarHBondContact NZ-OE2 3.33Å; K625-L634 HydrophobicContact CB-CD2 3.72Å |
| 626 | C | 80.7 | Confident | 77.6 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.007 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.8 | -42.1 | 169 | -63.2 | 0 | 0 | 0 | 0 | 111.2 | L622 Y623 E628 N629 M632 L634 L642 | L622-C626 PolarHBondContact O-N 3.31Å; L622-C626 PolarHBondContact O-SG 3.08Å; Y623-C626 WeakPolarHBondContact O-CB 3.47Å; Y623-C626 PolarHBondContact O-N 2.84Å; Y623-C626 VanDerWaalsContact O-N 3.13Å; C626-E628 VanDerWaalsContact C-N 3.34Å; C626-E628 PolarHBondContact O-N 3.4Å; C626-N629 PolarHBondContact O-N 3.46Å; C626-M632 WeakPolarHBondContact O-CA 3.39Å; C626-L634 WeakPolarHBondContact SG-CG 3.38Å; C626-L642 HydrophobicContact CB-CD1 4.23Å |
| 627 | S | 73.2 | Confident | 76.4 | Confident | 45 Ų | 45 | 55 Ų | 55 | 32% | 0.315 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -74.4 | -18.5 | -174.1 | 70.4 | 0 | 0 | 0 | 0 | 115.2 | Y623 L624 K625 N629 | Y623-S627 PolarHBondContact O-N 2.87Å; L624-S627 WeakPolarHBondContact CA-OG 3.28Å; L624-S627 PolarHBondContact O-N 3.15Å; L624-S627 VanDerWaalsContact O-N 3.14Å; L624-S627 PolarHBondContact O-OG 2.98Å; K625-S627 VanDerWaalsContact C-N 3.29Å; K625-S627 PolarHBondContact O-N 2.85Å; S627-N629 VanDerWaalsContact C-N 3.3Å |
| 628 | E | 75.6 | Confident | 75.5 | Confident | 123 Ų | 123 | 56.4 Ų | 56.4 | 58% | 0.575 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -71.7 | -25.1 | 174.4 | -73.7 | 172.1 | -167.7 | 0 | 0 | 112.1 | L624 K625 C626 | L624-E628 PolarHBondContact O-N 2.92Å; L624-E628 VanDerWaalsContact O-N 3.17Å; K625-E628 VanDerWaalsContact CD-OE2 3.3Å; K625-E628 WeakPolarHBondContact CD-OE2 3.44Å; K625-E628 IonicContact NZ-OE1 3.02Å; K625-E628 PolarHBondContact NZ-OE1 3.2Å; K625-E628 IonicContact NZ-OE2 3.46Å; K625-E628 PolarHBondContact NZ-OE2 3.33Å; C626-E628 VanDerWaalsContact C-N 3.34Å; C626-E628 PolarHBondContact O-N 3.4Å |
| 629 | N | 68.3 | Low | 75.1 | Confident | 61 Ų | 61 | 57.9 Ų | 57.9 | 33% | 0.326 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -94.1 | 134.5 | -178.1 | -69.5 | -23 | 0 | 0 | 0 | 111.7 | C626 S627 T631 M632 T633 | C626-N629 PolarHBondContact O-N 3.46Å; S627-N629 VanDerWaalsContact C-N 3.3Å; N629-T631 PolarHBondContact O-N 3.39Å; N629-T631 VanDerWaalsContact O-N 3.11Å; N629-M632 PolarHBondContact O-N 2.59Å; N629-T633 PolarHBondContact ND2-O 2.91Å |
| 630 | A | 59.4 | Low | 74.9 | Confident | 110 Ų | 110 | 58 Ų | 58 | 91% | 0.909 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -26.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | M632 | A630-M632 VanDerWaalsContact C-N 3.35Š|
| 631 | T | 61.8 | Low | 74.9 | Confident | 102 Ų | 102 | 59.7 Ų | 59.7 | 63% | 0.626 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -2.5 | 177.7 | 54.3 | 0 | 0 | 0 | 0 | 113.6 | N629 T633 | N629-T631 PolarHBondContact O-N 3.39Å; N629-T631 VanDerWaalsContact O-N 3.11Å; T631-T633 WeakPolarHBondContact CB-OG1 3.49Å; T631-T633 PolarHBondContact O-N 2.8Å; T631-T633 VanDerWaalsContact O-N 3.11Å; T631-T633 PolarHBondContact OG1-OG1 3.37Å |
| 632 | M | 69.9 | Low | 74.7 | Confident | 90 Ų | 90 | 60 Ų | 60 | 44% | 0.443 | 35% | 0.352 | S | S | . | . | trans | 52.9 | 30 | -177.2 | -64.6 | -75.8 | 166.2 | 0 | 0 | 113.7 | C626 N629 A630 | C626-M632 WeakPolarHBondContact O-CA 3.39Å; N629-M632 PolarHBondContact O-N 2.59Å; A630-M632 VanDerWaalsContact C-N 3.35Å | ||
| 633 | T | 71.9 | Confident | 74.8 | Confident | 82 Ų | 82 | 65 Ų | 65 | 50% | 0.503 | 38% | 0.378 | S | S | . | . | trans | -121.7 | 148 | -179.9 | 48.4 | 0 | 0 | 0 | 0 | 110.5 | N629 T631 | N629-T633 PolarHBondContact ND2-O 2.91Å; T631-T633 WeakPolarHBondContact CB-OG1 3.49Å; T631-T633 PolarHBondContact O-N 2.8Å; T631-T633 VanDerWaalsContact O-N 3.11Å; T631-T633 PolarHBondContact OG1-OG1 3.37Å | ||
| 634 | L | 74.4 | Confident | 75 | Confident | 24 Ų | 24 | 66.4 Ų | 66.4 | 13% | 0.126 | 39% | 0.385 | C | S | . | . | trans | -82.7 | 142.8 | 174 | -72.7 | 169 | 0 | 0 | 0 | 110 | L622 K625 C626 P639 I645 | L622-L634 HydrophobicContact CD2-CD1 4.08Å; K625-L634 HydrophobicContact CB-CD2 3.72Å; C626-L634 WeakPolarHBondContact SG-CG 3.38Å; L634-P639 HydrophobicContact CB-CB 3.61Å; L634-P639 HydrophobicContact CB-CG 4.09Å; L634-P639 HydrophobicContact CD1-CB 4.4Å; L634-P639 VanDerWaalsContact O-CG 3.24Å; L634-P639 WeakPolarHBondContact O-CG 3.29Å; L634-I645 HydrophobicContact CD1-CD1 4.1Å | ||
| 635 | P | 62 | Low | 75.3 | Confident | 53 Ų | 53 | 63.6 Ų | 63.6 | 34% | 0.344 | 37% | 0.37 | S | S | . | . | trans | -73.9 | 133.4 | 170 | 22.1 | -27.1 | 0 | 0 | 0 | 112.3 | F527 | F527-P635 HydrophobicContact CD2-CB 3.54Å; F527-P635 HydrophobicContact CD2-CG 3.24Å; F527-P635 HydrophobicContact CE2-CB 3.42Å; F527-P635 VanDerWaalsContact CE2-CB 3.42Å; F527-P635 HydrophobicContact CE2-CG 3.12Å; F527-P635 HydrophobicContact CG-CG 4.03Å; F527-P635 HydrophobicContact CZ-CB 4.5Å; F527-P635 HydrophobicContact CZ-CG 3.86Å | ||
| 636 | G | 65.3 | Low | 75.6 | Confident | 50 Ų | 50 | 63.6 Ų | 63.6 | 52% | 0.515 | 37% | 0.372 | S | S | . | . | S | Bend | trans | 156.4 | 175.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 637 | I | 65 | Low | 76 | Confident | 121 Ų | 121 | 67.3 Ų | 67.3 | 62% | 0.621 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -78.4 | -43.3 | 178.1 | -53.3 | 175.7 | 0 | 0 | 0 | 110 | E524 | E524-I637 HydrophobicContact CB-CB 4.5Å; E524-I637 HydrophobicContact CB-CD1 4.43Å; E524-I637 HydrophobicContact CG-CD1 4.32Å; E524-I637 PolarHBondContact O-N 3.49Å |
| 638 | H | 70.6 | Confident | 77 | Confident | 115 Ų | 115 | 65.2 Ų | 65.2 | 53% | 0.532 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -141.4 | 72.6 | 176.3 | -60.9 | 104.2 | 0 | 0 | 0 | 111.8 | E524 S525 H592 | E524-H638 PolarHBondContact O-N 2.85Å; S525-H638 WeakPolarHBondContact CA-O 3.31Å; S525-H638 WeakPolarHBondContact CB-O 3.5Å; H592-H638 PolarHBondContact CE1-O 3.04Å |
| 639 | P | 80.6 | Confident | 77.6 | Confident | 35 Ų | 35 | 59.8 Ų | 59.8 | 23% | 0.227 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -84 | 151.8 | -179.6 | 32.7 | -31.3 | 0 | 0 | 0 | 112.3 | L634 | L634-P639 HydrophobicContact CB-CB 3.61Å; L634-P639 HydrophobicContact CB-CG 4.09Å; L634-P639 HydrophobicContact CD1-CB 4.4Å; L634-P639 VanDerWaalsContact O-CG 3.24Å; L634-P639 WeakPolarHBondContact O-CG 3.29Å |
| 640 | P | 85.4 | Confident | 78.7 | Confident | 3 Ų | 3 | 59.8 Ų | 59.8 | 2% | 0.019 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 140.4 | 173.7 | -19.8 | 30 | 0 | 0 | 0 | 112 | N588 L591 L622 I645 | N588-P640 HydrophobicContact CB-CG 3.92Å; N588-P640 VanDerWaalsContact CG-CG 3.44Å; N588-P640 WeakPolarHBondContact OD1-CG 3.47Å; L591-P640 HydrophobicContact CB-CB 4.32Å; L591-P640 HydrophobicContact CB-CG 4.44Å; L591-P640 HydrophobicContact CD1-CB 3.89Å; L591-P640 HydrophobicContact CD1-CG 3.8Å; L622-P640 HydrophobicContact CD1-CG 4.48Å; P640-I645 HydrophobicContact CB-CD1 4.36Å; P640-I645 HydrophobicContact CB-CG1 4.16Å |
| 641 | T | 86.2 | Confident | 80.2 | Confident | 74 Ų | 74 | 54.8 Ų | 54.8 | 45% | 0.454 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -77 | 156.2 | 177.3 | 63.3 | 0 | 0 | 0 | 0 | 111.8 | N643 Q644 I645 | T641-N643 PolarHBondContact O-N 2.8Å; T641-Q644 PolarHBondContact O-N 2.9Å; T641-Q644 VanDerWaalsContact OG1-CD 3.31Å; T641-Q644 VanDerWaalsContact OG1-CG 3.28Å; T641-Q644 WeakPolarHBondContact OG1-CG 2.81Å; T641-Q644 PolarHBondContact OG1-N 3.35Å; T641-Q644 PolarHBondContact OG1-OE1 2.8Å; T641-I645 WeakPolarHBondContact O-CG1 2.98Å; T641-I645 PolarHBondContact O-N 3.05Å |
| 642 | L | 84.9 | Confident | 81.6 | Confident | 41 Ų | 41 | 50 Ų | 50 | 22% | 0.215 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -55.5 | -40.2 | 175.3 | -179.6 | 62.6 | 0 | 0 | 0 | 111.9 | Y623 C626 I645 M646 | Y623-L642 HydrophobicContact CD2-CD1 3.62Å; Y623-L642 HydrophobicContact CE2-CD1 3.75Å; C626-L642 HydrophobicContact CB-CD1 4.23Å; L642-I645 PolarHBondContact O-N 2.91Å; L642-M646 HydrophobicContact CD1-CG 4.22Å; L642-M646 HydrophobicContact CG-CG 4.42Å; L642-M646 WeakPolarHBondContact O-CB 3.17Å; L642-M646 VanDerWaalsContact O-CG 3.32Å; L642-M646 WeakPolarHBondContact O-CG 3.31Å; L642-M646 PolarHBondContact O-N 2.88Å |
| 643 | N | 86.6 | Confident | 82.5 | Confident | 116 Ų | 116 | 47.3 Ų | 47.3 | 62% | 0.62 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -63 | -48.9 | 178.4 | -67.3 | -7.8 | 0 | 0 | 0 | 111.1 | T641 I645 M646 D647 | T641-N643 PolarHBondContact O-N 2.8Å; N643-I645 VanDerWaalsContact C-N 3.28Å; N643-I645 PolarHBondContact O-N 2.9Å; N643-M646 PolarHBondContact O-N 3.4Å; N643-M646 VanDerWaalsContact O-N 3.15Å; N643-D647 WeakPolarHBondContact O-CB 3.48Å; N643-D647 PolarHBondContact O-N 3.05Å |
| 644 | Q | 89.3 | Confident | 83.4 | Confident | 47 Ų | 47 | 48.5 Ų | 48.5 | 22% | 0.22 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.3 | -43.1 | 175.6 | -74.3 | 164.6 | -43.3 | 0 | 0 | 111.5 | L591 T641 M646 W648 | L591-Q644 PolarHBondContact O-NE2 2.84Å; T641-Q644 PolarHBondContact O-N 2.9Å; T641-Q644 VanDerWaalsContact OG1-CD 3.31Å; T641-Q644 VanDerWaalsContact OG1-CG 3.28Å; T641-Q644 WeakPolarHBondContact OG1-CG 2.81Å; T641-Q644 PolarHBondContact OG1-N 3.35Å; T641-Q644 PolarHBondContact OG1-OE1 2.8Å; Q644-M646 PolarHBondContact O-N 3.26Å; Q644-W648 WeakPolarHBondContact O-CB 3.48Å; Q644-W648 PolarHBondContact O-N 3.06Å |
| 645 | I | 89.6 | Confident | 84 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.8 | -46.7 | 178.1 | -64.8 | 161 | 0 | 0 | 0 | 110.6 | L619 L622 L634 P640 T641 L642 N643 I649 | L619-I645 HydrophobicContact CB-CG2 4.33Å; L619-I645 HydrophobicContact CD2-CG2 4.45Å; L619-I645 WeakPolarHBondContact O-CG2 3.16Å; L622-I645 HydrophobicContact CB-CD1 3.82Å; L622-I645 HydrophobicContact CB-CG1 4.37Å; L622-I645 HydrophobicContact CD1-CD1 4.39Å; L622-I645 HydrophobicContact CD1-CG1 4.38Å; L634-I645 HydrophobicContact CD1-CD1 4.1Å; P640-I645 HydrophobicContact CB-CD1 4.36Å; P640-I645 HydrophobicContact CB-CG1 4.16Å; T641-I645 WeakPolarHBondContact O-CG1 2.98Å; T641-I645 PolarHBondContact O-N 3.05Å; L642-I645 PolarHBondContact O-N 2.91Å; N643-I645 VanDerWaalsContact C-N 3.28Å; N643-I645 PolarHBondContact O-N 2.9Å; I645-I649 HydrophobicContact CG2-CD1 4Å; I645-I649 VanDerWaalsContact O-CG1 3.28Å; I645-I649 WeakPolarHBondContact O-CG1 3.3Å; I645-I649 PolarHBondContact O-N 3.09Å |
| 646 | M | 86.8 | Confident | 85.2 | Confident | 43 Ų | 43 | 45.9 Ų | 45.9 | 21% | 0.212 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.5 | -43.9 | -179.8 | -71 | -59 | -63.6 | 0 | 0 | 112.2 | Y623 L642 N643 Q644 W648 I649 C650 | Y623-M646 HydrophobicContact CD2-CG 4.5Å; Y623-M646 HydrophobicContact CD2-SD 3.57Å; Y623-M646 VanDerWaalsContact CD2-SD 3.57Å; Y623-M646 HydrophobicContact CE2-SD 3.79Å; L642-M646 HydrophobicContact CD1-CG 4.22Å; L642-M646 HydrophobicContact CG-CG 4.42Å; L642-M646 WeakPolarHBondContact O-CB 3.17Å; L642-M646 VanDerWaalsContact O-CG 3.32Å; L642-M646 WeakPolarHBondContact O-CG 3.31Å; L642-M646 PolarHBondContact O-N 2.88Å; N643-M646 PolarHBondContact O-N 3.4Å; N643-M646 VanDerWaalsContact O-N 3.15Å; Q644-M646 PolarHBondContact O-N 3.26Å; M646-W648 VanDerWaalsContact C-N 3.34Å; M646-W648 PolarHBondContact O-N 3.29Å; M646-I649 PolarHBondContact O-N 3.44Å; M646-I649 HydrophobicContact SD-CD1 4.4Å; M646-C650 PolarHBondContact O-N 2.87Å; M646-C650 PolarHBondContact O-SG 2.82Å; M646-C650 VanDerWaalsContact O-SG 3.33Å |
| 647 | D | 90.3 | Very high | 86 | Confident | 79 Ų | 79 | 49.3 Ų | 49.3 | 42% | 0.422 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.2 | -45.4 | 178.2 | -66 | -22.2 | 0 | 0 | 0 | 110.5 | Y595 N643 I649 C650 L651 | Y595-D647 VanDerWaalsContact OH-CB 3.29Å; Y595-D647 WeakPolarHBondContact OH-CB 3.24Å; N643-D647 WeakPolarHBondContact O-CB 3.48Å; N643-D647 PolarHBondContact O-N 3.05Å; D647-I649 PolarHBondContact O-N 3.28Å; D647-C650 WeakPolarHBondContact O-CB 3.5Å; D647-C650 PolarHBondContact O-N 2.92Å; D647-L651 WeakPolarHBondContact O-CB 3.47Å; D647-L651 WeakPolarHBondContact O-CD1 3.41Å; D647-L651 WeakPolarHBondContact O-CG 3.37Å; D647-L651 PolarHBondContact O-N 2.94Å |
| 648 | W | 92.4 | Very high | 86.9 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 0% | 0.004 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67 | -33.6 | 176.3 | -83.2 | 88.6 | 0 | 0 | 0 | 113.3 | L505 I590 L591 Y595 L600 L604 F615 L619 Q644 M646 L652 | L505-W648 HydrophobicContact CD2-CZ3 4.29Å; I590-W648 HydrophobicContact CG2-CH2 3.54Å; I590-W648 HydrophobicContact CG2-CZ2 3.81Å; I590-W648 HydrophobicContact CG2-CZ3 4.24Å; L591-W648 HydrophobicContact CD2-CB 3.81Å; L591-W648 VanDerWaalsContact CD2-CD1 3.41Å; L591-W648 HydrophobicContact CD2-CD2 3.74Å; L591-W648 HydrophobicContact CD2-CG 3.35Å; Y595-W648 HydrophobicContact CD1-CZ2 4.13Å; Y595-W648 HydrophobicContact CE1-CZ2 4.4Å; Y595-W648 AromaticContact CE1-NE1 3.46Å; L600-W648 HydrophobicContact CD1-CH2 4.49Å; L600-W648 HydrophobicContact CD2-CH2 3.87Å; L600-W648 HydrophobicContact CD2-CZ2 4.24Å; L600-W648 HydrophobicContact CD2-CZ3 4.18Å; L604-W648 HydrophobicContact CD2-CZ3 4.22Å; F615-W648 AromaticContact CE1-CE3 3.9Å; F615-W648 HydrophobicContact CE1-CE3 3.9Å; F615-W648 HydrophobicContact CE1-CZ3 4.23Å; F615-W648 HydrophobicContact CZ-CE3 4.34Å; L619-W648 HydrophobicContact CD1-CB 4Å; Q644-W648 WeakPolarHBondContact O-CB 3.48Å; Q644-W648 PolarHBondContact O-N 3.06Å; M646-W648 VanDerWaalsContact C-N 3.34Å; M646-W648 PolarHBondContact O-N 3.29Å; W648-L652 WeakPolarHBondContact O-CB 3.29Å; W648-L652 WeakPolarHBondContact O-CD1 3.49Å; W648-L652 WeakPolarHBondContact O-CG 3.39Å; W648-L652 PolarHBondContact O-N 2.84Å |
| 649 | I | 89.9 | Confident | 87.5 | Confident | 8 Ų | 8 | 46.2 Ų | 46.2 | 4% | 0.041 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.1 | -47.2 | 171.4 | -71.1 | 167.4 | 0 | 0 | 0 | 110.2 | L619 I645 M646 D647 L652 L653 L673 | L619-I649 HydrophobicContact CB-CD1 4.04Å; L619-I649 HydrophobicContact CB-CG1 3.7Å; L619-I649 HydrophobicContact CD1-CG1 3.98Å; L619-I649 HydrophobicContact CG-CG1 4.47Å; I645-I649 HydrophobicContact CG2-CD1 4Å; I645-I649 VanDerWaalsContact O-CG1 3.28Å; I645-I649 WeakPolarHBondContact O-CG1 3.3Å; I645-I649 PolarHBondContact O-N 3.09Å; M646-I649 PolarHBondContact O-N 3.44Å; M646-I649 HydrophobicContact SD-CD1 4.4Å; D647-I649 PolarHBondContact O-N 3.28Å; I649-L652 PolarHBondContact O-N 2.88Å; I649-L653 HydrophobicContact CG2-CD1 3.95Å; I649-L653 VanDerWaalsContact O-CG 3.29Å; I649-L653 WeakPolarHBondContact O-CG 3.44Å; I649-L653 PolarHBondContact O-N 3.4Å; I649-L653 VanDerWaalsContact O-N 3.1Å; I649-L673 HydrophobicContact CG2-CD1 4.4Å; I649-L673 HydrophobicContact CG2-CD2 4.45Å |
| 650 | C | 90.3 | Very high | 87.6 | Confident | 61 Ų | 61 | 44.6 Ų | 44.6 | 41% | 0.412 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.7 | -51 | 177.5 | -67.2 | 0 | 0 | 0 | 0 | 111.3 | M646 D647 L652 L653 D654 | M646-C650 PolarHBondContact O-N 2.87Å; M646-C650 PolarHBondContact O-SG 2.82Å; M646-C650 VanDerWaalsContact O-SG 3.33Å; D647-C650 WeakPolarHBondContact O-CB 3.5Å; D647-C650 PolarHBondContact O-N 2.92Å; C650-L652 VanDerWaalsContact C-N 3.34Å; C650-L652 PolarHBondContact O-N 2.79Å; C650-L653 PolarHBondContact O-N 2.95Å; C650-L653 VanDerWaalsContact O-N 3.13Å; C650-D654 WeakPolarHBondContact O-CB 3.24Å; C650-D654 PolarHBondContact O-N 3.44Å |
| 651 | L | 92.1 | Very high | 87.5 | Confident | 6 Ų | 6 | 47.9 Ų | 47.9 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.2 | -42.3 | -179.5 | -70.4 | 164.2 | 0 | 0 | 0 | 113 | Y595 E597 L600 L601 L604 D647 A655 | Y595-L651 HydrophobicContact CD2-CD1 4.2Å; Y595-L651 HydrophobicContact CE2-CD1 3.43Å; Y595-L651 VanDerWaalsContact CE2-CD1 3.43Å; E597-L651 HydrophobicContact CB-CD2 4.05Å; E597-L651 HydrophobicContact CG-CD2 3.55Å; L600-L651 HydrophobicContact CD2-CD1 4.17Å; L601-L651 HydrophobicContact CD2-CD2 4.21Å; L601-L651 HydrophobicContact CG-CD2 4.32Å; L604-L651 HydrophobicContact CD1-CB 4.17Å; D647-L651 WeakPolarHBondContact O-CB 3.47Å; D647-L651 WeakPolarHBondContact O-CD1 3.41Å; D647-L651 WeakPolarHBondContact O-CG 3.37Å; D647-L651 PolarHBondContact O-N 2.94Å; L651-A655 VanDerWaalsContact O-CB 3.3Å; L651-A655 WeakPolarHBondContact O-CB 3.43Å; L651-A655 PolarHBondContact O-N 3.09Å |
| 652 | L | 90 | Very high | 87.3 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.6 | -38.7 | 178.5 | -70.5 | 167.6 | 0 | 0 | 0 | 111.9 | L604 I612 F615 L616 L619 W648 I649 C650 N656 | L604-L652 HydrophobicContact CD2-CD2 4.24Å; I612-L652 HydrophobicContact CD1-CD2 3.6Å; F615-L652 HydrophobicContact CD1-CD1 3.44Å; F615-L652 VanDerWaalsContact CD1-CD1 3.44Å; F615-L652 HydrophobicContact CD1-CD2 3.99Å; F615-L652 HydrophobicContact CD1-CG 4.33Å; F615-L652 HydrophobicContact CE1-CD1 3.77Å; F615-L652 HydrophobicContact CE1-CD2 4.35Å; F615-L652 HydrophobicContact CG-CD1 4.26Å; L616-L652 HydrophobicContact CD2-CB 3.87Å; L616-L652 HydrophobicContact CD2-CD1 3.85Å; L616-L652 HydrophobicContact CG-CB 4.31Å; L616-L652 HydrophobicContact CG-CD1 4.14Å; L619-L652 HydrophobicContact CD1-CD1 3.49Å; L619-L652 VanDerWaalsContact CD1-CD1 3.49Å; W648-L652 WeakPolarHBondContact O-CB 3.29Å; W648-L652 WeakPolarHBondContact O-CD1 3.49Å; W648-L652 WeakPolarHBondContact O-CG 3.39Å; W648-L652 PolarHBondContact O-N 2.84Å; I649-L652 PolarHBondContact O-N 2.88Å; C650-L652 VanDerWaalsContact C-N 3.34Å; C650-L652 PolarHBondContact O-N 2.79Å; L652-N656 WeakPolarHBondContact O-CB 3.31Å; L652-N656 PolarHBondContact O-N 2.86Å; L652-N656 VanDerWaalsContact O-N 3.11Å |
| 653 | L | 89.3 | Confident | 87.2 | Confident | 35 Ų | 35 | 51.6 Ų | 51.6 | 18% | 0.183 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.7 | -47.3 | 175 | -69.6 | 174.5 | 0 | 0 | 0 | 110.7 | L616 I649 C650 A655 N656 F657 L670 | L616-L653 HydrophobicContact CD1-CD2 4.28Å; I649-L653 HydrophobicContact CG2-CD1 3.95Å; I649-L653 VanDerWaalsContact O-CG 3.29Å; I649-L653 WeakPolarHBondContact O-CG 3.44Å; I649-L653 PolarHBondContact O-N 3.4Å; I649-L653 VanDerWaalsContact O-N 3.1Å; C650-L653 PolarHBondContact O-N 2.95Å; C650-L653 VanDerWaalsContact O-N 3.13Å; L653-A655 VanDerWaalsContact C-N 3.31Å; L653-A655 PolarHBondContact O-N 2.95Å; L653-N656 PolarHBondContact O-N 3.07Å; L653-F657 VanDerWaalsContact O-CA 3.24Å; L653-F657 WeakPolarHBondContact O-CA 3.43Å; L653-F657 WeakPolarHBondContact O-CB 3.5Å; L653-F657 PolarHBondContact O-N 2.87Å; L653-L670 HydrophobicContact CD2-CD2 3.7Å |
| 654 | D | 89.7 | Confident | 86.7 | Confident | 107 Ų | 107 | 51.3 Ų | 51.3 | 57% | 0.572 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -62.6 | -37.7 | -180 | -71.4 | -24.4 | 0 | 0 | 0 | 112.5 | L601 C650 | L601-D654 HydrophobicContact CD2-CB 4.17Å; C650-D654 WeakPolarHBondContact O-CB 3.24Å; C650-D654 PolarHBondContact O-N 3.44Å |
| 655 | A | 88.5 | Confident | 85.9 | Confident | 11 Ų | 11 | 54.8 Ų | 54.8 | 9% | 0.091 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69.7 | -41.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | L601 L604 K605 L651 L653 | L601-A655 HydrophobicContact CD2-CB 4Å; L604-A655 HydrophobicContact CB-CB 3.74Å; K605-A655 HydrophobicContact CG-CB 4.19Å; K605-A655 WeakPolarHBondContact CG-O 3.49Å; L651-A655 VanDerWaalsContact O-CB 3.3Å; L651-A655 WeakPolarHBondContact O-CB 3.43Å; L651-A655 PolarHBondContact O-N 3.09Å; L653-A655 VanDerWaalsContact C-N 3.31Å; L653-A655 PolarHBondContact O-N 2.95Å |
| 656 | N | 85.8 | Confident | 85.4 | Confident | 10 Ų | 10 | 54.8 Ų | 54.8 | 5% | 0.053 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -124 | 15.7 | -164.4 | -66.5 | -72.5 | 0 | 0 | 0 | 115 | L604 I612 L652 L653 T658 V659 V660 | L604-N656 PolarHBondContact O-ND2 2.86Å; I612-N656 HydrophobicContact CG2-CB 4.35Å; L652-N656 WeakPolarHBondContact O-CB 3.31Å; L652-N656 PolarHBondContact O-N 2.86Å; L652-N656 VanDerWaalsContact O-N 3.11Å; L653-N656 PolarHBondContact O-N 3.07Å; N656-T658 PolarHBondContact O-N 3.01Å; N656-V659 PolarHBondContact O-N 2.8Å; N656-V660 HydrophobicContact CB-CG2 4.05Å; N656-V660 WeakPolarHBondContact O-CG2 3.42Å; N656-V660 PolarHBondContact O-N 3.42Å |
| 657 | F | 83.5 | Confident | 85.1 | Confident | 123 Ų | 123 | 59.4 Ų | 59.4 | 54% | 0.539 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -50.1 | -50.6 | -172.5 | -179.5 | -105.5 | 0 | 0 | 0 | 113.6 | L653 V659 V660 V661 | L653-F657 VanDerWaalsContact O-CA 3.24Å; L653-F657 WeakPolarHBondContact O-CA 3.43Å; L653-F657 WeakPolarHBondContact O-CB 3.5Å; L653-F657 PolarHBondContact O-N 2.87Å; F657-V659 VanDerWaalsContact C-N 3.28Å; F657-V659 PolarHBondContact O-N 2.88Å; F657-V660 PolarHBondContact O-N 2.83Å; F657-V661 HydrophobicContact CD1-CG2 4.23Å; F657-V661 HydrophobicContact CD2-CG2 3.94Å; F657-V661 HydrophobicContact CE1-CG2 3.89Å; F657-V661 HydrophobicContact CE2-CG2 3.58Å; F657-V661 HydrophobicContact CG-CG2 4.26Å; F657-V661 HydrophobicContact CZ-CG2 3.56Å; F657-V661 WeakPolarHBondContact O-CB 3.45Å; F657-V661 VanDerWaalsContact O-CG2 3.26Å; F657-V661 WeakPolarHBondContact O-CG2 3.41Å; F657-V661 PolarHBondContact O-N 2.85Å |
| 658 | T | 83.9 | Confident | 84.7 | Confident | 107 Ų | 107 | 64.3 Ų | 64.3 | 66% | 0.656 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -61.1 | -37.2 | -178.1 | 50.2 | 0 | 0 | 0 | 0 | 112.3 | N656 M662 | N656-T658 PolarHBondContact O-N 3.01Å; T658-M662 WeakPolarHBondContact O-CG 3.38Å |
| 659 | V | 83.2 | Confident | 84.2 | Confident | 64 Ų | 64 | 64.9 Ų | 64.9 | 39% | 0.388 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -74.3 | -44 | 179.1 | -179.2 | 0 | 0 | 0 | 0 | 110.7 | A609 N656 F657 M662 M663 | A609-V659 HydrophobicContact CB-CG1 3.47Å; A609-V659 VanDerWaalsContact CB-CG1 3.47Å; N656-V659 PolarHBondContact O-N 2.8Å; F657-V659 VanDerWaalsContact C-N 3.28Å; F657-V659 PolarHBondContact O-N 2.88Å; V659-M662 PolarHBondContact O-N 3.12Å; V659-M663 PolarHBondContact O-N 2.8Å |
| 660 | V | 82.9 | Confident | 83.9 | Confident | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.006 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.1 | -39.3 | -179.2 | 177.2 | 0 | 0 | 0 | 0 | 111.3 | I612 L616 N656 F657 M662 M663 A666 L670 | I612-V660 HydrophobicContact CG2-CG2 3.94Å; L616-V660 HydrophobicContact CD1-CG1 4.32Å; L616-V660 HydrophobicContact CD1-CG2 4.33Å; N656-V660 HydrophobicContact CB-CG2 4.05Å; N656-V660 WeakPolarHBondContact O-CG2 3.42Å; N656-V660 PolarHBondContact O-N 3.42Å; F657-V660 PolarHBondContact O-N 2.83Å; V660-M662 VanDerWaalsContact C-N 3.3Å; V660-M662 PolarHBondContact O-N 2.92Å; V660-M663 PolarHBondContact O-N 2.78Å; V660-A666 HydrophobicContact CG1-CB 3.62Å; V660-A666 WeakPolarHBondContact O-CB 3.41Å; V660-L670 HydrophobicContact CG1-CD1 4.15Å; V660-L670 HydrophobicContact CG1-CD2 4.28Å; V660-L670 HydrophobicContact CG1-CG 4.35Å |
| 661 | V | 82.6 | Confident | 83.7 | Confident | 72 Ų | 72 | 67 Ų | 67 | 44% | 0.436 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.8 | -32.5 | 177.8 | 170.2 | 0 | 0 | 0 | 0 | 112.6 | F657 M663 L670 | F657-V661 HydrophobicContact CD1-CG2 4.23Å; F657-V661 HydrophobicContact CD2-CG2 3.94Å; F657-V661 HydrophobicContact CE1-CG2 3.89Å; F657-V661 HydrophobicContact CE2-CG2 3.58Å; F657-V661 HydrophobicContact CG-CG2 4.26Å; F657-V661 HydrophobicContact CZ-CG2 3.56Å; F657-V661 WeakPolarHBondContact O-CB 3.45Å; F657-V661 VanDerWaalsContact O-CG2 3.26Å; F657-V661 WeakPolarHBondContact O-CG2 3.41Å; F657-V661 PolarHBondContact O-N 2.85Å; V661-M663 PolarHBondContact O-N 3.25Å; V661-L670 HydrophobicContact CG2-CD1 3.99Å |
| 662 | M | 82.8 | Confident | 83.3 | Confident | 164 Ų | 164 | 69.1 Ų | 69.1 | 81% | 0.808 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -9.9 | 179.5 | -64.3 | -69 | -103.5 | 0 | 0 | 112.8 | T658 V659 V660 | T658-M662 WeakPolarHBondContact O-CG 3.38Å; V659-M662 PolarHBondContact O-N 3.12Å; V660-M662 VanDerWaalsContact C-N 3.3Å; V660-M662 PolarHBondContact O-N 2.92Å |
| 663 | M | 81 | Confident | 82.9 | Confident | 29 Ų | 29 | 70 Ų | 70 | 14% | 0.143 | 36% | 0.355 | C | S | . | . | trans | -89.3 | 123.1 | 177.2 | -76.5 | -171 | 50.3 | 0 | 0 | 112.3 | A609 T613 V659 V660 V661 E665 A666 K667 | A609-M663 HydrophobicContact CB-SD 3.52Å; A609-M663 VanDerWaalsContact CB-SD 3.52Å; T613-M663 HydrophobicContact CG2-CE 4.35Å; T613-M663 WeakPolarHBondContact OG1-CE 3.43Å; V659-M663 PolarHBondContact O-N 2.8Å; V660-M663 PolarHBondContact O-N 2.78Å; V661-M663 PolarHBondContact O-N 3.25Å; M663-E665 VanDerWaalsContact C-N 3.27Å; M663-E665 HydrophobicContact CE-CB 4.44Å; M663-E665 PolarHBondContact O-N 3.42Å; M663-A666 HydrophobicContact CB-CB 4.13Å; M663-A666 PolarHBondContact O-N 2.91Å; M663-K667 PolarHBondContact O-N 2.78Å | ||
| 664 | P | 76.4 | Confident | 82.8 | Confident | 109 Ų | 109 | 75.8 Ų | 75.8 | 71% | 0.708 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -63.6 | -33.1 | -179.4 | 24.4 | -32.6 | 0 | 0 | 0 | 112.8 | A666 K667 | P664-A666 VanDerWaalsContact C-N 3.3Å; P664-A666 PolarHBondContact O-N 3.19Å; P664-K667 WeakPolarHBondContact O-CB 3.04Å; P664-K667 PolarHBondContact O-N 2.81Å |
| 665 | E | 73.8 | Confident | 82.6 | Confident | 120 Ų | 120 | 77.1 Ų | 77.1 | 56% | 0.561 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -67.1 | -28.4 | 179.5 | -64.1 | 164.5 | -172 | 0 | 0 | 113.1 | M663 | M663-E665 VanDerWaalsContact C-N 3.27Å; M663-E665 HydrophobicContact CE-CB 4.44Å; M663-E665 PolarHBondContact O-N 3.42Å |
| 666 | A | 77.8 | Confident | 82.2 | Confident | 0 Ų | 0 | 77.6 Ų | 77.6 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -86.2 | -18.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T613 V660 M663 P664 R668 L669 L670 | T613-A666 HydrophobicContact CG2-CB 4.42Å; V660-A666 HydrophobicContact CG1-CB 3.62Å; V660-A666 WeakPolarHBondContact O-CB 3.41Å; M663-A666 HydrophobicContact CB-CB 4.13Å; M663-A666 PolarHBondContact O-N 2.91Å; P664-A666 VanDerWaalsContact C-N 3.3Å; P664-A666 PolarHBondContact O-N 3.19Å; A666-R668 VanDerWaalsContact C-N 3.34Å; A666-R668 PolarHBondContact O-N 2.98Å; A666-L669 WeakPolarHBondContact O-CB 3.41Å; A666-L669 PolarHBondContact O-N 3.45Å; A666-L669 VanDerWaalsContact O-N 3.1Å; A666-L670 WeakPolarHBondContact O-CG 3.44Å; A666-L670 PolarHBondContact O-N 3.45Å |
| 667 | K | 80.9 | Confident | 82.1 | Confident | 141 Ų | 141 | 80 Ų | 80 | 61% | 0.613 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -56.9 | -43.9 | -179.6 | -172.4 | 178.5 | 179.3 | -178.8 | 0 | 112.5 | M663 P664 L670 I671 | M663-K667 PolarHBondContact O-N 2.78Å; P664-K667 WeakPolarHBondContact O-CB 3.04Å; P664-K667 PolarHBondContact O-N 2.81Å; K667-L670 PolarHBondContact O-N 2.49Å; K667-I671 HydrophobicContact CG-CD1 4.05Å; K667-I671 WeakPolarHBondContact O-CD1 3.46Å; K667-I671 VanDerWaalsContact O-CG1 3.25Å; K667-I671 WeakPolarHBondContact O-CG1 3.44Å; K667-I671 PolarHBondContact O-N 2.92Å |
| 668 | R | 82.4 | Confident | 82.2 | Confident | 182 Ų | 182 | 80.8 Ų | 80.8 | 69% | 0.687 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -64.1 | -41.5 | 177.3 | -173.7 | 176.6 | 176.8 | 177.2 | -1.4 | 111.5 | A666 N672 | A666-R668 VanDerWaalsContact C-N 3.34Å; A666-R668 PolarHBondContact O-N 2.98Å; R668-N672 VanDerWaalsContact O-CG 3.26Å; R668-N672 PolarHBondContact O-N 3.11Å; R668-N672 VanDerWaalsContact O-N 3.07Å |
| 669 | L | 82.1 | Confident | 82.1 | Confident | 13 Ų | 13 | 78.7 Ų | 78.7 | 7% | 0.068 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -64.9 | -45.7 | 177.7 | -175.2 | 112.7 | 0 | 0 | 0 | 111.6 | L616 K617 Y620 A666 I671 N672 L673 | L616-L669 HydrophobicContact CB-CD2 3.82Å; L616-L669 HydrophobicContact CD1-CD2 4.41Å; K617-L669 HydrophobicContact CB-CD1 4.3Å; K617-L669 HydrophobicContact CG-CD1 3.7Å; Y620-L669 HydrophobicContact CD1-CD1 4.27Å; Y620-L669 HydrophobicContact CG-CD1 4.28Å; A666-L669 WeakPolarHBondContact O-CB 3.41Å; A666-L669 PolarHBondContact O-N 3.45Å; A666-L669 VanDerWaalsContact O-N 3.1Å; L669-I671 PolarHBondContact O-N 3.19Å; L669-N672 WeakPolarHBondContact O-CB 3.4Å; L669-N672 PolarHBondContact O-N 3.49Å; L669-L673 HydrophobicContact CD2-CD1 3.82Å; L669-L673 HydrophobicContact CG-CD1 4.23Å; L669-L673 WeakPolarHBondContact O-CG 3.27Å; L669-L673 PolarHBondContact O-N 2.92Å |
| 670 | L | 83.6 | Confident | 82 | Confident | 38 Ų | 38 | 77.6 Ų | 77.6 | 20% | 0.199 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 177.6 | -70.5 | 175.3 | 0 | 0 | 0 | 112.4 | L653 V660 V661 A666 K667 N672 L673 Y674 | L653-L670 HydrophobicContact CD2-CD2 3.7Å; V660-L670 HydrophobicContact CG1-CD1 4.15Å; V660-L670 HydrophobicContact CG1-CD2 4.28Å; V660-L670 HydrophobicContact CG1-CG 4.35Å; V661-L670 HydrophobicContact CG2-CD1 3.99Å; A666-L670 WeakPolarHBondContact O-CG 3.44Å; A666-L670 PolarHBondContact O-N 3.45Å; K667-L670 PolarHBondContact O-N 2.49Å; L670-N672 VanDerWaalsContact C-N 3.31Å; L670-N672 PolarHBondContact O-N 2.65Å; L670-L673 PolarHBondContact O-N 2.94Å; L670-Y674 WeakPolarHBondContact O-CB 3.4Å; L670-Y674 PolarHBondContact O-N 3.04Å |
| 671 | I | 84.9 | Confident | 82.1 | Confident | 76 Ų | 76 | 82.7 Ų | 82.7 | 39% | 0.39 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.1 | -41.1 | 175.3 | -69.5 | 165.8 | 0 | 0 | 0 | 110.6 | K667 L669 Y674 K675 | K667-I671 HydrophobicContact CG-CD1 4.05Å; K667-I671 WeakPolarHBondContact O-CD1 3.46Å; K667-I671 VanDerWaalsContact O-CG1 3.25Å; K667-I671 WeakPolarHBondContact O-CG1 3.44Å; K667-I671 PolarHBondContact O-N 2.92Å; L669-I671 PolarHBondContact O-N 3.19Å; I671-Y674 PolarHBondContact O-N 3.2Å; I671-K675 HydrophobicContact CG2-CD 4.29Å; I671-K675 WeakPolarHBondContact O-CG 3.45Å; I671-K675 PolarHBondContact O-N 3.38Å |
| 672 | N | 83.4 | Confident | 82.2 | Confident | 50 Ų | 50 | 82.4 Ų | 82.4 | 27% | 0.267 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.8 | -45.3 | 177.5 | -74.5 | -7.5 | 0 | 0 | 0 | 111.9 | Y620 R668 L669 L670 Y674 K675 L676 | Y620-N672 HydrophobicContact CE1-CB 4.36Å; Y620-N672 HydrophobicContact CE2-CB 4.36Å; R668-N672 VanDerWaalsContact O-CG 3.26Å; R668-N672 PolarHBondContact O-N 3.11Å; R668-N672 VanDerWaalsContact O-N 3.07Å; L669-N672 WeakPolarHBondContact O-CB 3.4Å; L669-N672 PolarHBondContact O-N 3.49Å; L670-N672 VanDerWaalsContact C-N 3.31Å; L670-N672 PolarHBondContact O-N 2.65Å; N672-Y674 VanDerWaalsContact C-N 3.33Å; N672-Y674 PolarHBondContact O-N 2.84Å; N672-K675 PolarHBondContact O-N 2.87Å; N672-L676 VanDerWaalsContact O-CB 3.28Å; N672-L676 WeakPolarHBondContact O-CB 3.49Å; N672-L676 PolarHBondContact O-N 3.42Å |
| 673 | L | 83.6 | Confident | 82.2 | Confident | 17 Ų | 17 | 78.7 Ų | 78.7 | 9% | 0.089 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -60 | -42.9 | 173.8 | -73.3 | 170.9 | 0 | 0 | 0 | 111.4 | Y620 I649 L669 L670 L676 V677 | Y620-L673 HydrophobicContact CD2-CD2 3.58Å; Y620-L673 HydrophobicContact CD2-CG 4.21Å; Y620-L673 HydrophobicContact CE2-CD2 4.15Å; Y620-L673 HydrophobicContact CG-CD2 4.49Å; I649-L673 HydrophobicContact CG2-CD1 4.4Å; I649-L673 HydrophobicContact CG2-CD2 4.45Å; L669-L673 HydrophobicContact CD2-CD1 3.82Å; L669-L673 HydrophobicContact CG-CD1 4.23Å; L669-L673 WeakPolarHBondContact O-CG 3.27Å; L669-L673 PolarHBondContact O-N 2.92Å; L670-L673 PolarHBondContact O-N 2.94Å; L673-L676 WeakPolarHBondContact O-CB 3.22Å; L673-L676 PolarHBondContact O-N 3.15Å; L673-V677 WeakPolarHBondContact O-CG2 3.34Å; L673-V677 PolarHBondContact O-N 3.44Å |
| 674 | Y | 85.8 | Confident | 82.2 | Confident | 157 Ų | 157 | 84.1 Ų | 84.1 | 62% | 0.616 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -62.6 | -47.6 | 176.9 | 173.9 | -103.3 | 0 | 0 | 0 | 112.6 | L670 I671 N672 L676 V677 K678 | L670-Y674 WeakPolarHBondContact O-CB 3.4Å; L670-Y674 PolarHBondContact O-N 3.04Å; I671-Y674 PolarHBondContact O-N 3.2Å; N672-Y674 VanDerWaalsContact C-N 3.33Å; N672-Y674 PolarHBondContact O-N 2.84Å; Y674-L676 PolarHBondContact O-N 3.32Å; Y674-V677 PolarHBondContact O-N 2.81Å; Y674-K678 WeakPolarHBondContact O-CB 3.39Å; Y674-K678 PolarHBondContact O-N 3.45Å |
| 675 | K | 85.4 | Confident | 82.5 | Confident | 135 Ų | 135 | 81.3 Ų | 81.3 | 59% | 0.587 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -57.8 | -39.8 | 175.3 | -75.7 | 177.4 | 179.7 | -177.6 | 0 | 111.1 | I671 N672 K678 S679 | I671-K675 HydrophobicContact CG2-CD 4.29Å; I671-K675 WeakPolarHBondContact O-CG 3.45Å; I671-K675 PolarHBondContact O-N 3.38Å; N672-K675 PolarHBondContact O-N 2.87Å; K675-K678 PolarHBondContact O-N 3.42Å; K675-S679 PolarHBondContact O-N 2.8Å |
| 676 | L | 80.9 | Confident | 83 | Confident | 21 Ų | 21 | 78.3 Ų | 78.3 | 11% | 0.11 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -66.4 | -50.3 | 179.4 | -170.7 | 133 | 0 | 0 | 0 | 112.2 | Y620 Y623 N672 L673 Y674 K678 S679 Q680 | Y620-L676 HydrophobicContact CE2-CD1 4.21Å; Y623-L676 HydrophobicContact CD1-CD1 3.61Å; Y623-L676 HydrophobicContact CD1-CD2 4.28Å; Y623-L676 HydrophobicContact CE1-CD1 3.11Å; Y623-L676 HydrophobicContact CE1-CD2 3.68Å; Y623-L676 HydrophobicContact CE1-CG 3.86Å; Y623-L676 HydrophobicContact CE2-CD2 3.99Å; Y623-L676 VanDerWaalsContact CZ-CD2 3.48Å; N672-L676 VanDerWaalsContact O-CB 3.28Å; N672-L676 WeakPolarHBondContact O-CB 3.49Å; N672-L676 PolarHBondContact O-N 3.42Å; L673-L676 WeakPolarHBondContact O-CB 3.22Å; L673-L676 PolarHBondContact O-N 3.15Å; Y674-L676 PolarHBondContact O-N 3.32Å; L676-K678 VanDerWaalsContact C-N 3.27Å; L676-K678 PolarHBondContact O-N 3.3Å; L676-S679 PolarHBondContact O-N 2.77Å; L676-S679 PolarHBondContact O-OG 3.3Å; L676-Q680 HydrophobicContact CD2-CG 4.33Å; L676-Q680 PolarHBondContact O-N 3.16Å |
| 677 | V | 83.6 | Confident | 83.2 | Confident | 62 Ų | 62 | 82.6 Ų | 82.6 | 38% | 0.376 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -58.9 | -41.8 | 175.9 | 171.5 | 0 | 0 | 0 | 0 | 110.4 | L673 Y674 S679 Q680 I681 | L673-V677 WeakPolarHBondContact O-CG2 3.34Å; L673-V677 PolarHBondContact O-N 3.44Å; Y674-V677 PolarHBondContact O-N 2.81Å; V677-S679 VanDerWaalsContact C-N 3.33Å; V677-S679 PolarHBondContact O-N 2.83Å; V677-Q680 PolarHBondContact O-N 3.44Å; V677-I681 HydrophobicContact CG1-CD1 3.72Å; V677-I681 HydrophobicContact CG1-CG1 4.31Å; V677-I681 VanDerWaalsContact O-CG1 3.27Å; V677-I681 WeakPolarHBondContact O-CG1 3.38Å; V677-I681 PolarHBondContact O-N 2.9Å |
| 678 | K | 85.6 | Confident | 83.3 | Confident | 139 Ų | 139 | 80.8 Ų | 80.8 | 60% | 0.604 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -59.3 | -43.3 | 174.5 | -172.7 | 178.8 | 179.9 | -177.6 | 0 | 112 | Y674 K675 L676 S682 | Y674-K678 WeakPolarHBondContact O-CB 3.39Å; Y674-K678 PolarHBondContact O-N 3.45Å; K675-K678 PolarHBondContact O-N 3.42Å; L676-K678 VanDerWaalsContact C-N 3.27Å; L676-K678 PolarHBondContact O-N 3.3Å; K678-S682 PolarHBondContact O-N 3.04Å; K678-S682 VanDerWaalsContact O-N 3.08Å |
| 679 | S | 82.1 | Confident | 83.4 | Confident | 63 Ų | 63 | 77.9 Ų | 77.9 | 44% | 0.441 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65.2 | -42.3 | 176.5 | 72.5 | 0 | 0 | 0 | 0 | 112.4 | K675 L676 V677 S682 V683 | K675-S679 PolarHBondContact O-N 2.8Å; L676-S679 PolarHBondContact O-N 2.77Å; L676-S679 PolarHBondContact O-OG 3.3Å; V677-S679 VanDerWaalsContact C-N 3.33Å; V677-S679 PolarHBondContact O-N 2.83Å; S679-S682 WeakPolarHBondContact O-CB 3.26Å; S679-S682 PolarHBondContact O-N 3.32Å; S679-V683 WeakPolarHBondContact O-CG2 3.24Å; S679-V683 PolarHBondContact O-N 2.96Å |
| 680 | Q | 80.6 | Confident | 83.6 | Confident | 41 Ų | 41 | 82 Ų | 82 | 19% | 0.192 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -63.2 | -46.6 | 176.3 | -74.2 | -172.1 | -21.7 | 0 | 0 | 111.7 | Y623 L676 V677 S682 V683 Y684 | Y623-Q680 PolarHBondContact OH-NE2 3.08Å; L676-Q680 HydrophobicContact CD2-CG 4.33Å; L676-Q680 PolarHBondContact O-N 3.16Å; V677-Q680 PolarHBondContact O-N 3.44Å; Q680-S682 PolarHBondContact O-N 2.81Å; Q680-V683 PolarHBondContact O-N 3.48Å; Q680-V683 VanDerWaalsContact O-N 3.1Å; Q680-Y684 HydrophobicContact CB-CD2 4.34Å; Q680-Y684 HydrophobicContact CB-CE2 4.28Å; Q680-Y684 WeakPolarHBondContact O-CD2 3.28Å; Q680-Y684 PolarHBondContact O-N 3.32Å |
| 681 | I | 84.9 | Confident | 83.5 | Confident | 108 Ų | 108 | 84.7 Ų | 84.7 | 55% | 0.554 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -57.6 | -41.9 | 176.6 | -69 | 167.6 | 0 | 0 | 0 | 110.4 | V677 Y684 S685 | V677-I681 HydrophobicContact CG1-CD1 3.72Å; V677-I681 HydrophobicContact CG1-CG1 4.31Å; V677-I681 VanDerWaalsContact O-CG1 3.27Å; V677-I681 WeakPolarHBondContact O-CG1 3.38Å; V677-I681 PolarHBondContact O-N 2.9Å; I681-Y684 PolarHBondContact O-N 3.31Å; I681-S685 WeakPolarHBondContact O-CB 3.4Å; I681-S685 PolarHBondContact O-N 3.29Å; I681-S685 PolarHBondContact O-OG 3.43Å |
| 682 | S | 84.7 | Confident | 83.3 | Confident | 65 Ų | 65 | 85.4 Ų | 85.4 | 46% | 0.455 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59.5 | -49.5 | 174.8 | -165.8 | 0 | 0 | 0 | 0 | 111.1 | K678 S679 Q680 Y684 S685 E686 | K678-S682 PolarHBondContact O-N 3.04Å; K678-S682 VanDerWaalsContact O-N 3.08Å; S679-S682 WeakPolarHBondContact O-CB 3.26Å; S679-S682 PolarHBondContact O-N 3.32Å; Q680-S682 PolarHBondContact O-N 2.81Å; S682-Y684 PolarHBondContact O-N 3.31Å; S682-S685 PolarHBondContact O-N 2.95Å; S682-S685 PolarHBondContact O-OG 3.17Å; S682-E686 WeakPolarHBondContact O-CG 3.42Å; S682-E686 PolarHBondContact O-N 2.98Å |
| 683 | V | 82.8 | Confident | 83.2 | Confident | 86 Ų | 86 | 86 Ų | 86 | 52% | 0.521 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.1 | -45.6 | 178.9 | 172.2 | 0 | 0 | 0 | 0 | 111.7 | S679 Q680 S685 E686 L687 | S679-V683 WeakPolarHBondContact O-CG2 3.24Å; S679-V683 PolarHBondContact O-N 2.96Å; Q680-V683 PolarHBondContact O-N 3.48Å; Q680-V683 VanDerWaalsContact O-N 3.1Å; V683-S685 VanDerWaalsContact C-N 3.3Å; V683-S685 PolarHBondContact O-N 3.19Å; V683-E686 PolarHBondContact O-N 2.77Å; V683-L687 HydrophobicContact CG1-CD1 3.88Å; V683-L687 HydrophobicContact CG1-CG 4.41Å; V683-L687 WeakPolarHBondContact O-CB 3.37Å; V683-L687 WeakPolarHBondContact O-CG 3.24Å; V683-L687 PolarHBondContact O-N 2.82Å |
| 684 | Y | 80.1 | Confident | 82.9 | Confident | 144 Ų | 144 | 91.5 Ų | 91.5 | 57% | 0.565 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -63.9 | -35.2 | 176.5 | -76.2 | -65 | 0 | 0 | 0 | 112.4 | Q680 I681 S682 L687 N688 | Q680-Y684 HydrophobicContact CB-CD2 4.34Å; Q680-Y684 HydrophobicContact CB-CE2 4.28Å; Q680-Y684 WeakPolarHBondContact O-CD2 3.28Å; Q680-Y684 PolarHBondContact O-N 3.32Å; I681-Y684 PolarHBondContact O-N 3.31Å; S682-Y684 PolarHBondContact O-N 3.31Å; Y684-L687 HydrophobicContact CD1-CD1 4.37Å; Y684-L687 PolarHBondContact O-N 2.64Å; Y684-N688 WeakPolarHBondContact O-CB 3.33Å; Y684-N688 PolarHBondContact O-N 2.89Å |
| 685 | S | 84.4 | Confident | 82.6 | Confident | 49 Ų | 49 | 91.8 Ų | 91.8 | 34% | 0.343 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -66.3 | -38.6 | 175.3 | 78.6 | 0 | 0 | 0 | 0 | 112.1 | I681 S682 V683 K689 | I681-S685 WeakPolarHBondContact O-CB 3.4Å; I681-S685 PolarHBondContact O-N 3.29Å; I681-S685 PolarHBondContact O-OG 3.43Å; S682-S685 PolarHBondContact O-N 2.95Å; S682-S685 PolarHBondContact O-OG 3.17Å; V683-S685 VanDerWaalsContact C-N 3.3Å; V683-S685 PolarHBondContact O-N 3.19Å; S685-K689 WeakPolarHBondContact O-CG 3.41Å; S685-K689 PolarHBondContact O-N 2.82Å |
| 686 | E | 84.3 | Confident | 82.3 | Confident | 57 Ų | 57 | 91.2 Ų | 91.2 | 27% | 0.266 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -70.9 | -40.2 | 174.2 | -63.8 | -49.9 | 135.1 | 0 | 0 | 111.7 | S682 V683 N688 K689 I690 | S682-E686 WeakPolarHBondContact O-CG 3.42Å; S682-E686 PolarHBondContact O-N 2.98Å; V683-E686 PolarHBondContact O-N 2.77Å; E686-N688 VanDerWaalsContact C-N 3.34Å; E686-N688 PolarHBondContact O-N 2.93Å; E686-K689 WeakPolarHBondContact O-CB 3.41Å; E686-K689 PolarHBondContact O-N 2.87Å; E686-K689 VanDerWaalsContact O-N 3.16Å; E686-K689 IonicContact OE1-NZ 3.59Å; E686-K689 PolarHBondContact OE1-NZ 3.11Å; E686-K689 IonicContact OE2-NZ 2.96Å; E686-K689 WeakPolarHBondContact OE2-CD 3.35Å; E686-K689 PolarHBondContact OE2-NZ 2.98Å; E686-I690 WeakPolarHBondContact O-CG1 3.39Å; E686-I690 PolarHBondContact O-N 2.86Å; E686-I690 VanDerWaalsContact O-N 3.14Å |
| 687 | L | 82.3 | Confident | 82.2 | Confident | 91 Ų | 91 | 95.4 Ų | 95.4 | 48% | 0.476 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.1 | -40.8 | 174 | -78.2 | 167.6 | 0 | 0 | 0 | 112 | V683 Y684 K689 I690 E691 | V683-L687 HydrophobicContact CG1-CD1 3.88Å; V683-L687 HydrophobicContact CG1-CG 4.41Å; V683-L687 WeakPolarHBondContact O-CB 3.37Å; V683-L687 WeakPolarHBondContact O-CG 3.24Å; V683-L687 PolarHBondContact O-N 2.82Å; Y684-L687 HydrophobicContact CD1-CD1 4.37Å; Y684-L687 PolarHBondContact O-N 2.64Å; L687-K689 VanDerWaalsContact C-N 3.29Å; L687-K689 PolarHBondContact O-N 2.95Å; L687-I690 CarbonylContact O-C 3.6Å; L687-I690 WeakPolarHBondContact O-CA 2.84Å; L687-I690 PolarHBondContact O-N 2.88Å; L687-I690 VanDerWaalsContact O-N 3.07Å; L687-E691 PolarHBondContact O-N 2.84Å |
| 688 | N | 81.8 | Confident | 81.9 | Confident | 102 Ų | 102 | 97.6 Ų | 97.6 | 55% | 0.545 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.6 | -34.8 | 175.1 | -87.8 | -2.5 | 0 | 0 | 0 | 112.4 | Y684 E686 I690 E691 | Y684-N688 WeakPolarHBondContact O-CB 3.33Å; Y684-N688 PolarHBondContact O-N 2.89Å; E686-N688 VanDerWaalsContact C-N 3.34Å; E686-N688 PolarHBondContact O-N 2.93Å; N688-I690 VanDerWaalsContact C-N 3.3Å; N688-E691 PolarHBondContact O-N 2.72Å |
| 689 | K | 85 | Confident | 81.5 | Confident | 122 Ų | 122 | 97 Ų | 97 | 53% | 0.53 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.7 | -37.8 | 172.9 | -65.8 | 171.1 | -166.2 | 170 | 0 | 111.1 | S685 E686 L687 | S685-K689 WeakPolarHBondContact O-CG 3.41Å; S685-K689 PolarHBondContact O-N 2.82Å; E686-K689 WeakPolarHBondContact O-CB 3.41Å; E686-K689 PolarHBondContact O-N 2.87Å; E686-K689 VanDerWaalsContact O-N 3.16Å; E686-K689 IonicContact OE1-NZ 3.59Å; E686-K689 PolarHBondContact OE1-NZ 3.11Å; E686-K689 IonicContact OE2-NZ 2.96Å; E686-K689 WeakPolarHBondContact OE2-CD 3.35Å; E686-K689 PolarHBondContact OE2-NZ 2.98Å; L687-K689 VanDerWaalsContact C-N 3.29Å; L687-K689 PolarHBondContact O-N 2.95Å |
| 690 | I | 85.4 | Confident | 81.2 | Confident | 100 Ų | 100 | 98.8 Ų | 98.8 | 51% | 0.513 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -74.3 | -32.5 | 178.1 | -62.8 | 161.6 | 0 | 0 | 0 | 111.8 | E686 L687 N688 V692 S693 F694 | E686-I690 WeakPolarHBondContact O-CG1 3.39Å; E686-I690 PolarHBondContact O-N 2.86Å; E686-I690 VanDerWaalsContact O-N 3.14Å; L687-I690 CarbonylContact O-C 3.6Å; L687-I690 WeakPolarHBondContact O-CA 2.84Å; L687-I690 PolarHBondContact O-N 2.88Å; L687-I690 VanDerWaalsContact O-N 3.07Å; N688-I690 VanDerWaalsContact C-N 3.3Å; I690-V692 VanDerWaalsContact C-N 3.29Å; I690-V692 PolarHBondContact O-N 3.29Å; I690-S693 PolarHBondContact O-N 3.28Å; I690-S693 VanDerWaalsContact O-N 3.14Å; I690-F694 WeakPolarHBondContact O-CB 3.35Å; I690-F694 PolarHBondContact O-N 2.74Å |
| 691 | E | 82.9 | Confident | 80.7 | Confident | 93 Ų | 93 | 101.5 Ų | 101.5 | 44% | 0.435 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58 | -40.9 | -179.8 | -165.5 | -160.9 | 147 | 0 | 0 | 111.9 | L687 N688 F694 R695 | L687-E691 PolarHBondContact O-N 2.84Å; N688-E691 PolarHBondContact O-N 2.72Å; E691-F694 PolarHBondContact O-N 3.11Å; E691-R695 WeakPolarHBondContact O-CB 3.29Å; E691-R695 PolarHBondContact OE1-NH2 3.26Å; E691-R695 IonicContact OE1-NH2 2.71Å; E691-R695 PolarHBondContact O-N 3.43Å; E691-R695 IonicContact OE1-CZ 3.84Å |
| 692 | V | 79.4 | Confident | 79.9 | Confident | 91 Ų | 91 | 102.3 Ų | 102.3 | 55% | 0.552 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.9 | -48.1 | 176.9 | 179.4 | 0 | 0 | 0 | 0 | 110.4 | I690 F694 R695 E696 | I690-V692 VanDerWaalsContact C-N 3.29Å; I690-V692 PolarHBondContact O-N 3.29Å; V692-F694 VanDerWaalsContact C-N 3.31Å; V692-F694 PolarHBondContact O-N 2.84Å; V692-R695 PolarHBondContact O-N 2.91Å; V692-E696 PolarHBondContact O-N 2.89Å |
| 693 | S | 81.1 | Confident | 79 | Confident | 64 Ų | 64 | 103.1 Ų | 103.1 | 45% | 0.448 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.1 | -35.6 | 176.6 | -55.2 | 0 | 0 | 0 | 0 | 112.5 | I690 E696 L697 | I690-S693 PolarHBondContact O-N 3.28Å; I690-S693 VanDerWaalsContact O-N 3.14Å; S693-E696 PolarHBondContact O-N 2.89Å; S693-L697 PolarHBondContact O-N 2.9Å; S693-L697 WeakPolarHBondContact O-CG 3.22Å; S693-L697 WeakPolarHBondContact O-CB 3.44Å |
| 694 | F | 78.4 | Confident | 78 | Confident | 132 Ų | 132 | 106.6 Ų | 106.6 | 58% | 0.579 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -69.7 | -40.1 | 177.2 | -154 | -90.4 | 0 | 0 | 0 | 111.6 | I690 E691 V692 E696 L697 Q698 | I690-F694 WeakPolarHBondContact O-CB 3.35Å; I690-F694 PolarHBondContact O-N 2.74Å; E691-F694 PolarHBondContact O-N 3.11Å; V692-F694 VanDerWaalsContact C-N 3.31Å; V692-F694 PolarHBondContact O-N 2.84Å; F694-E696 VanDerWaalsContact C-N 3.34Å; F694-L697 PolarHBondContact O-N 3.3Å; F694-Q698 WeakPolarHBondContact O-CB 3.45Å; F694-Q698 PolarHBondContact O-N 2.93Å |
| 695 | R | 79.9 | Confident | 76.9 | Confident | 163 Ų | 163 | 106.2 Ų | 106.2 | 62% | 0.615 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.1 | -39.5 | 175.2 | -164.7 | -177.4 | -67.7 | -161.7 | 2.1 | 111.3 | E691 V692 Q698 K699 | E691-R695 WeakPolarHBondContact O-CB 3.29Å; E691-R695 PolarHBondContact OE1-NH2 3.26Å; E691-R695 IonicContact OE1-NH2 2.71Å; E691-R695 PolarHBondContact O-N 3.43Å; E691-R695 IonicContact OE1-CZ 3.84Å; V692-R695 PolarHBondContact O-N 2.91Å; R695-Q698 PolarHBondContact O-N 2.59Å; R695-K699 WeakPolarHBondContact O-CB 3.05Å; R695-K699 PolarHBondContact O-N 3.48Å |
| 696 | E | 78.3 | Confident | 75.5 | Confident | 122 Ų | 122 | 110.6 Ų | 110.6 | 57% | 0.57 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66.1 | -43.3 | 172.4 | -74.1 | -173.8 | 163.7 | 0 | 0 | 112.4 | V692 S693 F694 Q698 K699 L700 | V692-E696 PolarHBondContact O-N 2.89Å; S693-E696 PolarHBondContact O-N 2.89Å; F694-E696 VanDerWaalsContact C-N 3.34Å; E696-Q698 VanDerWaalsContact C-N 3.33Å; E696-Q698 PolarHBondContact O-N 2.88Å; E696-K699 WeakPolarHBondContact O-CB 3.28Å; E696-K699 PolarHBondContact O-N 2.8Å; E696-L700 WeakPolarHBondContact O-CB 3.25Å; E696-L700 VanDerWaalsContact O-CG 3.31Å; E696-L700 WeakPolarHBondContact O-CG 3.38Å; E696-L700 PolarHBondContact O-N 2.9Å |
| 697 | L | 78.5 | Confident | 74.2 | Confident | 109 Ų | 109 | 117.1 Ų | 117.1 | 57% | 0.571 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62.6 | -39.5 | 174.3 | -83.6 | 165.1 | 0 | 0 | 0 | 112.4 | S693 F694 K699 L700 N701 | S693-L697 PolarHBondContact O-N 2.9Å; S693-L697 WeakPolarHBondContact O-CG 3.22Å; S693-L697 WeakPolarHBondContact O-CB 3.44Å; F694-L697 PolarHBondContact O-N 3.3Å; L697-K699 VanDerWaalsContact C-N 3.35Å; L697-L700 PolarHBondContact O-N 2.93Å; L697-N701 PolarHBondContact O-N 2.96Å; L697-N701 WeakPolarHBondContact O-CB 3.48Å; L697-N701 VanDerWaalsContact O-CB 3.31Å |
| 698 | Q | 78 | Confident | 73.2 | Confident | 108 Ų | 108 | 115.4 Ų | 115.4 | 51% | 0.505 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66.8 | -39.1 | 177 | -152.7 | 175.2 | 19.4 | 0 | 0 | 110.9 | F694 R695 E696 N701 Q702 | F694-Q698 WeakPolarHBondContact O-CB 3.45Å; F694-Q698 PolarHBondContact O-N 2.93Å; R695-Q698 PolarHBondContact O-N 2.59Å; E696-Q698 VanDerWaalsContact C-N 3.33Å; E696-Q698 PolarHBondContact O-N 2.88Å; Q698-N701 PolarHBondContact O-N 3.14Å; Q698-Q702 WeakPolarHBondContact O-CG 3.41Å; Q698-Q702 PolarHBondContact O-N 2.93Å |
| 699 | K | 77.6 | Confident | 72 | Confident | 128 Ų | 128 | 119.4 Ų | 119.4 | 56% | 0.557 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -63.3 | -46.2 | 171.8 | -170.2 | -178.1 | 177.7 | -172.5 | 0 | 111.7 | R695 E696 L697 N701 Q702 E703 | R695-K699 WeakPolarHBondContact O-CB 3.05Å; R695-K699 PolarHBondContact O-N 3.48Å; E696-K699 WeakPolarHBondContact O-CB 3.28Å; E696-K699 PolarHBondContact O-N 2.8Å; L697-K699 VanDerWaalsContact C-N 3.35Å; K699-N701 VanDerWaalsContact C-N 3.29Å; K699-N701 PolarHBondContact O-N 2.92Å; K699-Q702 PolarHBondContact O-N 2.85Å; K699-E703 PolarHBondContact O-N 3.34Å; K699-E703 WeakPolarHBondContact O-CG 3.47Å; K699-E703 VanDerWaalsContact O-CG 3.31Å; K699-E703 WeakPolarHBondContact CE-OE1 3.33Å; K699-E703 WeakPolarHBondContact O-CB 3.48Å |
| 700 | L | 75.5 | Confident | 70.8 | Confident | 99 Ų | 99 | 122.4 Ų | 122.4 | 52% | 0.518 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -63.4 | -33.1 | 175.5 | -73.4 | 170.6 | 0 | 0 | 0 | 112.7 | E696 L697 K704 | E696-L700 WeakPolarHBondContact O-CB 3.25Å; E696-L700 VanDerWaalsContact O-CG 3.31Å; E696-L700 WeakPolarHBondContact O-CG 3.38Å; E696-L700 PolarHBondContact O-N 2.9Å; L697-L700 PolarHBondContact O-N 2.93Å; L700-K704 WeakPolarHBondContact O-CB 2.9Å; L700-K704 PolarHBondContact O-N 3.19Å |
| 701 | N | 69.9 | Low | 69.5 | Low | 98 Ų | 98 | 121.9 Ų | 121.9 | 52% | 0.524 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -74.6 | -38.3 | 176.2 | -156.3 | 19.6 | 0 | 0 | 0 | 111.9 | L697 Q698 K699 K704 N705 | L697-N701 PolarHBondContact O-N 2.96Å; L697-N701 WeakPolarHBondContact O-CB 3.48Å; L697-N701 VanDerWaalsContact O-CB 3.31Å; Q698-N701 PolarHBondContact O-N 3.14Å; K699-N701 VanDerWaalsContact C-N 3.29Å; K699-N701 PolarHBondContact O-N 2.92Å; N701-K704 PolarHBondContact O-N 2.81Å; N701-N705 PolarHBondContact O-N 3.01Å; N701-N705 VanDerWaalsContact O-N 3.11Å |
| 702 | Q | 67.3 | Low | 68.6 | Low | 125 Ų | 125 | 124.3 Ų | 124.3 | 58% | 0.584 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -63.8 | -39.9 | 170.1 | -74.8 | 175.6 | 1.3 | 0 | 0 | 111.8 | Q698 K699 N705 N706 | Q698-Q702 WeakPolarHBondContact O-CG 3.41Å; Q698-Q702 PolarHBondContact O-N 2.93Å; K699-Q702 PolarHBondContact O-N 2.85Å; Q702-N705 PolarHBondContact O-N 2.92Å; Q702-N706 PolarHBondContact O-N 3.16Å |
| 703 | E | 65.6 | Low | 67.9 | Low | 83 Ų | 83 | 127.6 Ų | 127.6 | 39% | 0.388 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -68.1 | -36.1 | 174.9 | -74.1 | 174.3 | -170.7 | 0 | 0 | 112.2 | K699 N706 R707 | K699-E703 PolarHBondContact O-N 3.34Å; K699-E703 WeakPolarHBondContact O-CG 3.47Å; K699-E703 VanDerWaalsContact O-CG 3.31Å; K699-E703 WeakPolarHBondContact CE-OE1 3.33Å; K699-E703 WeakPolarHBondContact O-CB 3.48Å; E703-N706 PolarHBondContact O-N 2.99Å; E703-N706 CarbonylContact O-C 3.59Å; E703-R707 PolarHBondContact O-N 3.28Å; E703-R707 VanDerWaalsContact O-N 3.17Å |
| 704 | K | 61.3 | Low | 66.8 | Low | 158 Ų | 158 | 130.6 Ų | 130.6 | 69% | 0.687 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -63.9 | -38.3 | 172.6 | -92.2 | -176.5 | 175.6 | 178 | 0 | 113 | L700 N701 N706 | L700-K704 WeakPolarHBondContact O-CB 2.9Å; L700-K704 PolarHBondContact O-N 3.19Å; N701-K704 PolarHBondContact O-N 2.81Å; K704-N706 PolarHBondContact O-N 3.4Å |
| 705 | N | 56.9 | Low | 65.8 | Low | 136 Ų | 136 | 131.4 Ų | 131.4 | 73% | 0.727 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -70.7 | -15.7 | 174.8 | -76.5 | -15.2 | 0 | 0 | 0 | 113.3 | N701 Q702 | N701-N705 PolarHBondContact O-N 3.01Å; N701-N705 VanDerWaalsContact O-N 3.11Å; Q702-N705 PolarHBondContact O-N 2.92Å |
| 706 | N | 55.7 | Low | 64.2 | Low | 141 Ų | 141 | 131.4 Ų | 131.4 | 75% | 0.754 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.7 | 3.2 | 179.2 | -79 | -17.5 | 0 | 0 | 0 | 114.5 | Q702 E703 K704 G708 | Q702-N706 PolarHBondContact O-N 3.16Å; E703-N706 PolarHBondContact O-N 2.99Å; E703-N706 CarbonylContact O-C 3.59Å; K704-N706 PolarHBondContact O-N 3.4Å; N706-G708 PolarHBondContact O-N 2.83Å |
| 707 | R | 56.6 | Low | 62.5 | Low | 194 Ų | 194 | 133.5 Ų | 133.5 | 73% | 0.732 | 67% | 0.672 | S | S | * | * | trans | -82.7 | 98.5 | 172.9 | -80.4 | -174.3 | -175.1 | -144.5 | 0.9 | 110.6 | E703 | E703-R707 PolarHBondContact O-N 3.28Å; E703-R707 VanDerWaalsContact O-N 3.17Å | ||
| 708 | G | 61.9 | Low | 60.9 | Low | 55 Ų | 55 | 140.6 Ų | 140.6 | 57% | 0.567 | 70% | 0.698 | S | S | * | * | trans | -58.3 | 157.8 | 151.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | N706 Y710 | N706-G708 PolarHBondContact O-N 2.83Å; G708-Y710 PolarHBondContact O-N 3.29Å | ||
| 709 | L | 57.1 | Low | 60.1 | Low | 186 Ų | 186 | 142.3 Ų | 142.3 | 97% | 0.974 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -58.5 | 5.1 | -170.7 | -76.5 | 158.2 | 0 | 0 | 0 | 117.1 | ||
| 710 | Y | 58.8 | Low | 59.2 | Low | 185 Ų | 185 | 143 Ų | 143 | 73% | 0.725 | 72% | 0.716 | S | S | * | * | trans | -151.2 | 149.2 | 176.6 | 65.6 | -84.7 | 0 | 0 | 0 | 111.5 | G708 I712 | G708-Y710 PolarHBondContact O-N 3.29Å; Y710-I712 HydrophobicContact CD2-CG1 4.21Å; Y710-I712 HydrophobicContact CE2-CD1 4.22Å; Y710-I712 HydrophobicContact CE2-CG1 4.39Å | ||
| 711 | S | 59.5 | Low | 58.3 | Low | 89 Ų | 89 | 145.4 Ų | 145.4 | 62% | 0.622 | 73% | 0.727 | S | S | * | * | trans | -122.8 | 137.8 | 170.5 | 54 | 0 | 0 | 0 | 0 | 109 | ||||
| 712 | I | 64.1 | Low | 57.6 | Low | 144 Ų | 144 | 148.2 Ų | 148.2 | 74% | 0.738 | 74% | 0.739 | S | S | * | * | trans | -105.5 | 118.1 | 174.9 | -60.8 | 173.1 | 0 | 0 | 0 | 107.3 | Y710 | Y710-I712 HydrophobicContact CD2-CG1 4.21Å; Y710-I712 HydrophobicContact CE2-CD1 4.22Å; Y710-I712 HydrophobicContact CE2-CG1 4.39Å | ||
| 713 | E | 64.3 | Low | 57 | Low | 161 Ų | 161 | 149.7 Ų | 149.7 | 75% | 0.752 | 75% | 0.749 | S | S | * | * | trans | -110.3 | 133.8 | 173.7 | -68.2 | -179.2 | 179.3 | 0 | 0 | 108.9 | ||||
| 714 | V | 58.1 | Low | 56.4 | Low | 127 Ų | 127 | 154.1 Ų | 154.1 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | trans | -100.5 | 116.8 | 178.4 | -179.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 715 | L | 57 | Low | 56 | Low | 149 Ų | 149 | 153.9 Ų | 153.9 | 78% | 0.78 | 78% | 0.779 | S | S | * | * | trans | -99.7 | 112.2 | 172.4 | -78.3 | 154.8 | 0 | 0 | 0 | 108.5 | L717 | L715-L717 PolarHBondContact O-N 2.87Š| ||
| 716 | E | 45.6 | Very low | 56 | Low | 163 Ų | 163 | 155.2 Ų | 155.2 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | trans | -78.6 | 111.8 | 166.3 | -77.7 | -174.8 | 162.4 | 0 | 0 | 109 | ||||
| 717 | L | 43.5 | Very low | 56 | Low | 166 Ų | 166 | 156.4 Ų | 156.4 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | trans | -89.8 | 116.4 | 172.7 | -75.5 | 155.6 | 0 | 0 | 0 | 108.3 | L715 | L715-L717 PolarHBondContact O-N 2.87Š| ||
| 718 | F | 45.5 | Very low | 55.9 | Low | 258 Ų | 258 | 153 Ų | 153 | 100% | 1.132 | 79% | 0.79 | S | S | * | * | trans | -86.3 | 0 | 165 | -79.9 | -80.6 | 0 | 0 | 0 | 111.1 |
Retrieved 718 of 718 residues in 226.7 ms
(Link to these results)