| 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 | T | 75.3 | Confident | 81.9 | Confident | 123 Ų | 123 | 52.2 Ų | 52.2 | 76% | 0.755 | 30% | 0.3 | S | S | * | . | 0 | -65.7 | 0 | 38.5 | 0 | 0 | 0 | 0 | 110.7 | L3 Y4 T5 T10 | T1-L3 PolarHBondContact O-N 2.69Å; T1-Y4 PolarHBondContact O-N 3.01Å; T1-T5 PolarHBondContact O-N 3.04Å; T1-T5 PolarHBondContact O-OG1 3.31Å; T1-T10 WeakPolarHBondContact OG1-CB 3.46Å | |||
| 2 | F | 84.5 | Confident | 81 | Confident | 10 Ų | 10 | 56.2 Ų | 56.2 | 4% | 0.044 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -36.3 | -49.2 | 179.9 | -179.1 | -103.7 | 0 | 0 | 0 | 115.2 | Y4 T5 G6 D7 T10 L11 L196 W207 | F2-Y4 PolarHBondContact O-N 2.75Å; F2-T5 PolarHBondContact O-N 3.39Å; F2-T5 VanDerWaalsContact O-N 3.14Å; F2-G6 WeakPolarHBondContact O-CA 3.5Å; F2-G6 PolarHBondContact O-N 2.93Å; F2-D7 WeakPolarHBondContact CD2-O 3.25Å; F2-T10 WeakPolarHBondContact CA-OG1 3.24Å; F2-T10 WeakPolarHBondContact CB-OG1 3.36Å; F2-T10 PolarHBondContact N-OG1 2.99Å; F2-L11 HydrophobicContact CB-CD2 3.8Å; F2-L11 HydrophobicContact CB-CG 3.91Å; F2-L11 HydrophobicContact CD1-CD1 3.84Å; F2-L11 HydrophobicContact CD1-CD2 3.81Å; F2-L11 HydrophobicContact CD1-CG 3.96Å; F2-L11 HydrophobicContact CD2-CD1 3.66Å; F2-L11 HydrophobicContact CD2-CD2 4.32Å; F2-L11 HydrophobicContact CD2-CG 3.63Å; F2-L11 HydrophobicContact CE1-CD1 3.79Å; F2-L11 HydrophobicContact CE1-CG 4.42Å; F2-L11 HydrophobicContact CE2-CD1 3.61Å; F2-L11 HydrophobicContact CE2-CG 4.12Å; F2-L11 HydrophobicContact CG-CD1 3.77Å; F2-L11 HydrophobicContact CG-CD2 3.69Å; F2-L11 HydrophobicContact CG-CG 3.53Å; F2-L11 HydrophobicContact CZ-CD1 3.67Å; F2-L11 HydrophobicContact CZ-CG 4.49Å; F2-L196 HydrophobicContact CD1-CD1 3.99Å; F2-L196 HydrophobicContact CE1-CD1 4.06Å; F2-L196 HydrophobicContact CE1-CD2 3.91Å; F2-W207 AromaticContact CE1-NE1 3.74Å |
| 3 | L | 85.6 | Confident | 80.8 | Confident | 44 Ų | 44 | 64.9 Ų | 64.9 | 23% | 0.23 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -47 | -32.2 | 179.3 | -52 | -179.8 | 0 | 0 | 0 | 114.1 | T1 Y20 W207 F274 | T1-L3 PolarHBondContact O-N 2.69Å; L3-Y20 HydrophobicContact CD1-CE1 4.38Å; L3-Y20 HydrophobicContact CD2-CD1 4.42Å; L3-Y20 HydrophobicContact CD2-CE1 3.77Å; L3-W207 HydrophobicContact CD2-CH2 3.86Å; L3-W207 HydrophobicContact CD2-CZ2 3.51Å; L3-F274 HydrophobicContact CB-CD2 4.08Å; L3-F274 WeakPolarHBondContact O-CB 3.24Å; L3-F274 WeakPolarHBondContact O-CD2 3.45Å; L3-F274 PolarHBondContact O-N 3.31Å |
| 4 | Y | 83.4 | Confident | 80.9 | Confident | 100 Ų | 100 | 62.9 Ų | 62.9 | 39% | 0.392 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -104.7 | -34.4 | 177.5 | -65.3 | -85.7 | 0 | 0 | 0 | 113.6 | T1 F2 F274 Q276 | T1-Y4 PolarHBondContact O-N 3.01Å; F2-Y4 PolarHBondContact O-N 2.75Å; Y4-F274 WeakPolarHBondContact CA-O 3.24Å; Y4-F274 VanDerWaalsContact CD1-C 3.49Å; Y4-F274 HydrophobicContact CD1-CB 3.68Å; Y4-F274 VanDerWaalsContact CD1-O 3.31Å; Y4-F274 WeakPolarHBondContact CD1-O 3.47Å; Y4-F274 HydrophobicContact CE1-CB 3.61Å; Y4-F274 HydrophobicContact CG-CB 4.32Å; Y4-Q276 PolarHBondContact O-NE2 3.23Å |
| 5 | T | 80.6 | Confident | 81.2 | Confident | 70 Ų | 70 | 72.5 Ų | 72.5 | 43% | 0.429 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -88.6 | -28.5 | -174.3 | 58.1 | 0 | 0 | 0 | 0 | 113.6 | T1 F2 D7 R273 | T1-T5 PolarHBondContact O-N 3.04Å; T1-T5 PolarHBondContact O-OG1 3.31Å; F2-T5 PolarHBondContact O-N 3.39Å; F2-T5 VanDerWaalsContact O-N 3.14Å; T5-D7 PolarHBondContact O-N 3.49Å; T5-D7 PolarHBondContact OG1-N 2.97Å; T5-R273 PolarHBondContact O-NH1 3.04Å |
| 6 | G | 81.1 | Confident | 81.3 | Confident | 11 Ų | 11 | 69.1 Ų | 69.1 | 11% | 0.113 | 36% | 0.361 | C | S | . | . | trans | 64.4 | 12 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | F2 P8 | F2-G6 WeakPolarHBondContact O-CA 3.5Å; F2-G6 PolarHBondContact O-N 2.93Å; G6-P8 VanDerWaalsContact O-CD 3.32Å; G6-P8 WeakPolarHBondContact O-CD 3.46Å | ||
| 7 | D | 83.6 | Confident | 81.2 | Confident | 62 Ų | 62 | 72 Ų | 72 | 33% | 0.332 | 39% | 0.389 | S | S | . | . | trans | -80.8 | 111.7 | -179.2 | 170.1 | 23.8 | 0 | 0 | 0 | 111.4 | F2 T5 S9 T10 | F2-D7 WeakPolarHBondContact CD2-O 3.25Å; T5-D7 PolarHBondContact O-N 3.49Å; T5-D7 PolarHBondContact OG1-N 2.97Å; D7-S9 PolarHBondContact O-N 3.03Å; D7-S9 VanDerWaalsContact OD1-CB 3.23Å; D7-S9 WeakPolarHBondContact OD1-CB 3.44Å; D7-S9 PolarHBondContact OD1-N 3.36Å; D7-S9 PolarHBondContact OD1-OG 3.44Å; D7-S9 WeakPolarHBondContact OD2-CB 3.31Å; D7-S9 PolarHBondContact OD2-OG 3.5Å; D7-T10 HydrophobicContact CB-CG2 4.33Å; D7-T10 PolarHBondContact O-N 3.29Å; D7-T10 PolarHBondContact O-OG1 3.49Å | ||
| 8 | P | 82.7 | Confident | 80.9 | Confident | 59 Ų | 59 | 75.2 Ų | 75.2 | 38% | 0.383 | 39% | 0.394 | S | S | . | . | G | 310 helix | trans | -62.8 | -22.3 | 179.6 | 29.2 | -36.9 | 0 | 0 | 0 | 113.2 | G6 T10 L11 N12 P205 | G6-P8 VanDerWaalsContact O-CD 3.32Å; G6-P8 WeakPolarHBondContact O-CD 3.46Å; P8-T10 PolarHBondContact O-N 2.65Å; P8-T10 VanDerWaalsContact O-N 3.1Å; P8-L11 PolarHBondContact O-N 3.3Å; P8-N12 PolarHBondContact O-N 3.19Å; P8-P205 HydrophobicContact CB-CB 3.62Å; P8-P205 HydrophobicContact CB-CG 4.45Å |
| 9 | S | 82.6 | Confident | 80.8 | Confident | 52 Ų | 52 | 71.5 Ų | 71.5 | 36% | 0.364 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -60.4 | -22.7 | 174.3 | 102 | 0 | 0 | 0 | 0 | 112.6 | D7 | D7-S9 PolarHBondContact O-N 3.03Å; D7-S9 VanDerWaalsContact OD1-CB 3.23Å; D7-S9 WeakPolarHBondContact OD1-CB 3.44Å; D7-S9 PolarHBondContact OD1-N 3.36Å; D7-S9 PolarHBondContact OD1-OG 3.44Å; D7-S9 WeakPolarHBondContact OD2-CB 3.31Å; D7-S9 PolarHBondContact OD2-OG 3.5Å |
| 10 | T | 81 | Confident | 81 | Confident | 33 Ų | 33 | 72.9 Ų | 72.9 | 20% | 0.202 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -85 | -21.2 | 175.8 | 67.5 | 0 | 0 | 0 | 0 | 114.1 | T1 F2 D7 P8 | T1-T10 WeakPolarHBondContact OG1-CB 3.46Å; F2-T10 WeakPolarHBondContact CA-OG1 3.24Å; F2-T10 WeakPolarHBondContact CB-OG1 3.36Å; F2-T10 PolarHBondContact N-OG1 2.99Å; D7-T10 HydrophobicContact CB-CG2 4.33Å; D7-T10 PolarHBondContact O-N 3.29Å; D7-T10 PolarHBondContact O-OG1 3.49Å; P8-T10 PolarHBondContact O-N 2.65Å; P8-T10 VanDerWaalsContact O-N 3.1Å |
| 11 | L | 80.1 | Confident | 81.1 | Confident | 10 Ų | 10 | 70.7 Ų | 70.7 | 5% | 0.052 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -41.5 | 172.6 | -72.8 | 176.4 | 0 | 0 | 0 | 111.7 | F2 P8 K13 A14 L196 F203 P205 | F2-L11 HydrophobicContact CB-CD2 3.8Å; F2-L11 HydrophobicContact CB-CG 3.91Å; F2-L11 HydrophobicContact CD1-CD1 3.84Å; F2-L11 HydrophobicContact CD1-CD2 3.81Å; F2-L11 HydrophobicContact CD1-CG 3.96Å; F2-L11 HydrophobicContact CD2-CD1 3.66Å; F2-L11 HydrophobicContact CD2-CD2 4.32Å; F2-L11 HydrophobicContact CD2-CG 3.63Å; F2-L11 HydrophobicContact CE1-CD1 3.79Å; F2-L11 HydrophobicContact CE1-CG 4.42Å; F2-L11 HydrophobicContact CE2-CD1 3.61Å; F2-L11 HydrophobicContact CE2-CG 4.12Å; F2-L11 HydrophobicContact CG-CD1 3.77Å; F2-L11 HydrophobicContact CG-CD2 3.69Å; F2-L11 HydrophobicContact CG-CG 3.53Å; F2-L11 HydrophobicContact CZ-CD1 3.67Å; F2-L11 HydrophobicContact CZ-CG 4.49Å; P8-L11 PolarHBondContact O-N 3.3Å; L11-K13 PolarHBondContact O-N 3.38Å; L11-A14 PolarHBondContact O-N 2.9Å; L11-L196 HydrophobicContact CD2-CD1 4.13Å; L11-F203 HydrophobicContact CB-CB 4.48Å; L11-F203 HydrophobicContact CD2-CB 4.03Å; L11-F203 HydrophobicContact CD2-CD2 4.44Å; L11-P205 HydrophobicContact CD1-CB 4.26Å |
| 12 | N | 72.2 | Confident | 81.4 | Confident | 100 Ų | 100 | 65.6 Ų | 65.6 | 54% | 0.535 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -15.2 | -179.6 | -65.5 | -1.2 | 0 | 0 | 0 | 113.9 | P8 | P8-N12 PolarHBondContact O-N 3.19Š|
| 13 | K | 77.9 | Confident | 81.1 | Confident | 170 Ų | 170 | 73.9 Ų | 73.9 | 74% | 0.739 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -11.5 | 175.7 | -65.9 | 168.4 | -174.9 | 162.4 | 0 | 113.2 | L11 | L11-K13 PolarHBondContact O-N 3.38Š|
| 14 | A | 81.6 | Confident | 80.5 | Confident | 37 Ų | 37 | 75.3 Ų | 75.3 | 31% | 0.306 | 39% | 0.39 | S | S | . | . | trans | -101.1 | 118.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | L11 F203 | L11-A14 PolarHBondContact O-N 2.9Å; A14-F203 HydrophobicContact CB-CD2 4.28Å | ||
| 15 | R | 86.1 | Confident | 80.3 | Confident | 206 Ų | 206 | 72.4 Ų | 72.4 | 78% | 0.777 | 38% | 0.38 | S | S | * | . | B | Isolated β-bridge | trans | -78.9 | 145.1 | 170 | -70.4 | -177.7 | 176.3 | 174.5 | -0.1 | 110.6 | G201 Y202 | R15-G201 CarbonylContact C-O 3.17Å; R15-G201 VanDerWaalsContact CA-O 3.26Å; R15-G201 WeakPolarHBondContact CA-O 3.28Å; R15-Y202 HydrophobicContact CG-CE1 3.96Å |
| 16 | C | 82.6 | Confident | 79.8 | Confident | 19 Ų | 19 | 74.2 Ų | 74.2 | 13% | 0.128 | 40% | 0.396 | C | S | . | . | trans | -127.5 | 156 | 177.4 | 69.4 | 0 | 0 | 0 | 0 | 111.1 | C198 G201 Y202 F203 | C16-C198 VanDerWaalsContact C-SG 3.5Å; C16-C198 HydrophobicContact CB-CB 3.92Å; C16-C198 WeakPolarHBondContact CB-SG 3.41Å; C16-C198 VanDerWaalsContact SG-CA 3.51Å; C16-C198 WeakPolarHBondContact SG-CB 3.23Å; C16-C198 CovalentContact SG-SG 2.03Å; C16-C198 PolarHBondContact SG-SG 2.92Å; C16-G201 PolarHBondContact N-O 3.46Å; C16-G201 VanDerWaalsContact SG-C 3.55Å; C16-Y202 PolarHBondContact SG-N 3.32Å; C16-Y202 VanDerWaalsContact SG-N 3.42Å; C16-Y202 PolarHBondContact SG-O 3.06Å; C16-F203 HydrophobicContact CB-CD1 3.89Å; C16-F203 HydrophobicContact CB-CD2 3.9Å; C16-F203 HydrophobicContact CB-CE1 3.53Å; C16-F203 HydrophobicContact CB-CE2 3.56Å; C16-F203 HydrophobicContact CB-CG 4.06Å; C16-F203 HydrophobicContact CB-CZ 3.37Å | ||
| 17 | S | 79.3 | Confident | 79.7 | Confident | 118 Ų | 118 | 75.7 Ų | 75.7 | 83% | 0.825 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -122.5 | -8.9 | 171 | 55.8 | 0 | 0 | 0 | 0 | 113.3 | ||
| 18 | R | 76.6 | Confident | 79.8 | Confident | 130 Ų | 130 | 75.8 Ų | 75.8 | 49% | 0.491 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -156.3 | 164.6 | 174.5 | 61.7 | 174.2 | -177.9 | -161.1 | -4.4 | 108.7 | S135 C198 | R18-S135 WeakPolarHBondContact CD-O 3.35Å; R18-S135 VanDerWaalsContact CZ-O 3.28Å; R18-S135 PolarHBondContact NH1-O 3.25Å; R18-C198 VanDerWaalsContact O-CB 3.32Å; R18-C198 WeakPolarHBondContact O-CB 3.45Å |
| 19 | A | 79.3 | Confident | 79.9 | Confident | 5 Ų | 5 | 73.6 Ų | 73.6 | 4% | 0.041 | 40% | 0.401 | C | S | . | . | trans | -61.9 | 157.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | P136 A137 F195 L196 | A19-P136 WeakPolarHBondContact CB-O 3.19Å; A19-A137 HydrophobicContact CB-CB 4.2Å; A19-F195 HydrophobicContact CB-CD2 4.04Å; A19-L196 VanDerWaalsContact CA-O 3.3Å; A19-L196 WeakPolarHBondContact CA-O 3.39Å; A19-L196 VanDerWaalsContact CB-O 3.26Å; A19-L196 WeakPolarHBondContact CB-O 3.39Å | ||
| 20 | Y | 84.6 | Confident | 80.1 | Confident | 99 Ų | 99 | 71.5 Ų | 71.5 | 39% | 0.388 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 107.7 | 179.7 | 175.5 | -97.1 | 0 | 0 | 0 | 110.5 | L3 F195 L196 W207 | L3-Y20 HydrophobicContact CD1-CE1 4.38Å; L3-Y20 HydrophobicContact CD2-CD1 4.42Å; L3-Y20 HydrophobicContact CD2-CE1 3.77Å; Y20-F195 CarbonylContact O-C 3.5Å; Y20-F195 WeakPolarHBondContact O-CA 3.36Å; Y20-F195 WeakPolarHBondContact O-CB 3.25Å; Y20-L196 HydrophobicContact CD1-CD1 4.18Å; Y20-L196 HydrophobicContact CD1-CG 4.49Å; Y20-L196 PolarHBondContact N-O 3.14Å; Y20-L196 PolarHBondContact O-N 3Å; Y20-W207 HydrophobicContact CD1-CH2 4.27Å; Y20-W207 HydrophobicContact CE1-CH2 4.08Å |
| 21 | S | 82.6 | Confident | 80.3 | Confident | 27 Ų | 27 | 74.8 Ų | 74.8 | 19% | 0.189 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 151 | 173.4 | -168.9 | 0 | 0 | 0 | 0 | 111.3 | A193 P194 | S21-A193 VanDerWaalsContact OG-CB 3.3Å; S21-A193 WeakPolarHBondContact OG-CB 3.34Å; S21-P194 PolarHBondContact OG-O 2.99Å |
| 22 | T | 80.4 | Confident | 80.6 | Confident | 16 Ų | 16 | 77.1 Ų | 77.1 | 10% | 0.098 | 42% | 0.423 | C | S | . | . | P | Polyproline II helix | trans | -68 | 171 | 166.4 | 62.9 | 0 | 0 | 0 | 0 | 110.6 | A24 A193 P194 W207 F251 F274 | T22-A24 PolarHBondContact O-N 3.38Å; T22-A193 WeakPolarHBondContact OG1-CB 3.49Å; T22-P194 PolarHBondContact N-O 3.49Å; T22-W207 HydrophobicContact CG2-CH2 3.6Å; T22-W207 HydrophobicContact CG2-CZ3 3.72Å; T22-F251 HydrophobicContact CG2-CE1 4.32Å; T22-F251 HydrophobicContact CG2-CZ 4.22Å; T22-F274 HydrophobicContact CG2-CE2 4.27Å; T22-F274 HydrophobicContact CG2-CZ 3.97Å |
| 23 | K | 79.1 | Confident | 81.4 | Confident | 183 Ų | 183 | 72.4 Ų | 72.4 | 80% | 0.796 | 40% | 0.398 | S | S | * | . | P | Polyproline II helix | trans | -57.3 | 141.2 | 166.9 | -66.8 | -170.5 | 178.3 | -174.1 | 0 | 109.4 | Q25 | K23-Q25 PolarHBondContact O-N 2.91Å; K23-Q25 PolarHBondContact O-NE2 2.86Å |
| 24 | A | 73.9 | Confident | 81.9 | Confident | 74 Ų | 74 | 68.2 Ų | 68.2 | 61% | 0.612 | 38% | 0.384 | S | S | * | . | P | Polyproline II helix | trans | -51.5 | 126.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | T22 | T22-A24 PolarHBondContact O-N 3.38Š|
| 25 | Q | 79.1 | Confident | 82.3 | Confident | 40 Ų | 40 | 70.1 Ų | 70.1 | 19% | 0.187 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -89.9 | 123 | -178.4 | -60.9 | -60.8 | -64.3 | 0 | 0 | 109.7 | K23 S192 W250 F251 | K23-Q25 PolarHBondContact O-N 2.91Å; K23-Q25 PolarHBondContact O-NE2 2.86Å; Q25-S192 PolarHBondContact N-O 3.31Å; Q25-W250 HydrophobicContact CB-CB 4Å; Q25-W250 HydrophobicContact CB-CD2 3.81Å; Q25-W250 HydrophobicContact CB-CG 3.47Å; Q25-W250 VanDerWaalsContact CB-CG 3.47Å; Q25-W250 HydrophobicContact CG-CB 4.06Å; Q25-W250 HydrophobicContact CG-CD2 4.15Å; Q25-W250 HydrophobicContact CG-CG 3.94Å; Q25-F251 VanDerWaalsContact CD-CE1 3.4Å; Q25-F251 HydrophobicContact CG-CD2 4.39Å; Q25-F251 HydrophobicContact CG-CE1 4.04Å; Q25-F251 HydrophobicContact CG-CE2 3.86Å; Q25-F251 HydrophobicContact CG-CZ 3.66Å |
| 26 | S | 69.4 | Low | 82.5 | Confident | 107 Ų | 107 | 62.7 Ų | 62.7 | 75% | 0.748 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -78.3 | 139 | 167.6 | 51.4 | 0 | 0 | 0 | 0 | 110.3 | ||
| 27 | G | 78.6 | Confident | 82.9 | Confident | 42 Ų | 42 | 61.8 Ų | 61.8 | 43% | 0.433 | 37% | 0.372 | S | S | . | . | S | Bend | trans | 105.8 | -163.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | D248 W250 | G27-D248 CarbonylContact C-O 3.49Å; G27-D248 WeakPolarHBondContact CA-O 3.39Å; G27-W250 PolarHBondContact O-NE1 2.97Å |
| 28 | S | 85.3 | Confident | 83.6 | Confident | 64 Ų | 64 | 60.1 Ų | 60.1 | 45% | 0.448 | 35% | 0.351 | S | S | . | . | B | Isolated β-bridge | trans | -83.1 | 153.2 | -175.1 | 57.4 | 0 | 0 | 0 | 0 | 112.9 | D248 S249 W250 | S28-D248 PolarHBondContact N-O 3.35Å; S28-D248 PolarHBondContact OG-O 3.4Å; S28-S249 CarbonylContact O-C 3.57Å; S28-S249 VanDerWaalsContact O-CA 3.3Å; S28-S249 WeakPolarHBondContact O-CA 3.25Å; S28-W250 VanDerWaalsContact O-CD1 3.24Å; S28-W250 PolarHBondContact O-N 2.95Å |
| 29 | L | 85.5 | Confident | 84.4 | Confident | 13 Ų | 13 | 56.9 Ų | 56.9 | 7% | 0.068 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 135.9 | 169.2 | -171 | 72.1 | 0 | 0 | 0 | 109.7 | F33 L37 Y190 L209 W250 | L29-F33 HydrophobicContact CD1-CB 4.23Å; L29-F33 HydrophobicContact CD1-CD1 4.33Å; L29-F33 HydrophobicContact CD1-CG 4.23Å; L29-F33 HydrophobicContact CD2-CB 3.72Å; L29-F33 HydrophobicContact CG-CB 3.79Å; L29-F33 HydrophobicContact CG-CG 4.25Å; L29-L37 HydrophobicContact CD2-CD1 4.16Å; L29-Y190 HydrophobicContact CB-CE1 4.05Å; L29-Y190 PolarHBondContact N-OH 2.86Å; L29-L209 HydrophobicContact CD1-CD2 4.16Å; L29-W250 HydrophobicContact CD1-CD2 4.29Å; L29-W250 HydrophobicContact CD1-CE3 3.72Å; L29-W250 HydrophobicContact CD1-CH2 3.98Å; L29-W250 HydrophobicContact CD1-CZ3 3.53Å |
| 30 | P | 86.6 | Confident | 85 | Confident | 8 Ų | 8 | 56.7 Ų | 56.7 | 5% | 0.052 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 144.3 | -176.8 | -20.6 | 33.5 | 0 | 0 | 0 | 112 | N32 F33 W250 | P30-N32 PolarHBondContact O-N 3.32Å; P30-F33 HydrophobicContact CB-CD2 3.82Å; P30-F33 HydrophobicContact CB-CE2 4.05Å; P30-F33 HydrophobicContact CG-CD2 4.04Å; P30-F33 HydrophobicContact CG-CE2 4Å; P30-F33 WeakPolarHBondContact O-CB 3.45Å; P30-F33 PolarHBondContact O-N 2.96Å; P30-W250 HydrophobicContact CG-CB 3.88Å |
| 31 | S | 84.8 | Confident | 85.4 | Confident | 102 Ų | 102 | 53.5 Ų | 53.5 | 71% | 0.713 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -60.5 | -27 | -166.6 | 56.2 | 0 | 0 | 0 | 0 | 114.6 | F33 N34 | S31-F33 VanDerWaalsContact C-N 3.29Å; S31-F33 PolarHBondContact O-N 3.5Å; S31-N34 WeakPolarHBondContact O-CB 3.32Å; S31-N34 PolarHBondContact O-N 2.84Å |
| 32 | N | 86.6 | Confident | 86 | Confident | 59 Ų | 59 | 53.3 Ų | 53.3 | 32% | 0.316 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -74.1 | -13 | 177.2 | 67.7 | -46 | 0 | 0 | 0 | 114.2 | P30 P36 D240 | P30-N32 PolarHBondContact O-N 3.32Å; N32-P36 WeakPolarHBondContact O-CD 3.49Å; N32-P36 WeakPolarHBondContact O-CG 3.44Å; N32-D240 PolarHBondContact ND2-O 3.22Å |
| 33 | F | 89 | Confident | 86.6 | Confident | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.009 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -82.5 | -21.9 | 172.5 | -70.6 | -109.2 | 0 | 0 | 0 | 112.5 | L29 P30 S31 A35 P36 L37 I236 I239 F272 | L29-F33 HydrophobicContact CD1-CB 4.23Å; L29-F33 HydrophobicContact CD1-CD1 4.33Å; L29-F33 HydrophobicContact CD1-CG 4.23Å; L29-F33 HydrophobicContact CD2-CB 3.72Å; L29-F33 HydrophobicContact CG-CB 3.79Å; L29-F33 HydrophobicContact CG-CG 4.25Å; P30-F33 HydrophobicContact CB-CD2 3.82Å; P30-F33 HydrophobicContact CB-CE2 4.05Å; P30-F33 HydrophobicContact CG-CD2 4.04Å; P30-F33 HydrophobicContact CG-CE2 4Å; P30-F33 WeakPolarHBondContact O-CB 3.45Å; P30-F33 PolarHBondContact O-N 2.96Å; S31-F33 VanDerWaalsContact C-N 3.29Å; S31-F33 PolarHBondContact O-N 3.5Å; F33-A35 PolarHBondContact O-N 2.85Å; F33-P36 WeakPolarHBondContact O-CD 3.38Å; F33-L37 HydrophobicContact CB-CD1 4.32Å; F33-L37 HydrophobicContact CD1-CD1 4.33Å; F33-L37 WeakPolarHBondContact O-CB 3.16Å; F33-L37 WeakPolarHBondContact O-CG 3.43Å; F33-L37 PolarHBondContact O-N 3.16Å; F33-I236 HydrophobicContact CE1-CB 4.2Å; F33-I236 HydrophobicContact CE1-CD1 4.01Å; F33-I236 HydrophobicContact CE1-CG2 4.37Å; F33-I239 HydrophobicContact CD1-CB 4.4Å; F33-I239 HydrophobicContact CD1-CD1 3.77Å; F33-I239 HydrophobicContact CD1-CG2 3.88Å; F33-I239 HydrophobicContact CD2-CG2 3.89Å; F33-I239 HydrophobicContact CE1-CB 4.06Å; F33-I239 HydrophobicContact CE1-CD1 4.11Å; F33-I239 HydrophobicContact CE1-CG2 3.79Å; F33-I239 HydrophobicContact CE2-CG2 3.79Å; F33-I239 HydrophobicContact CG-CD1 4.45Å; F33-I239 HydrophobicContact CG-CG2 3.92Å; F33-I239 HydrophobicContact CZ-CB 4.24Å; F33-I239 HydrophobicContact CZ-CG2 3.73Å; F33-F272 HydrophobicContact CE1-CD2 4.22Å; F33-F272 HydrophobicContact CE1-CE2 4.3Å; F33-F272 AromaticContact CZ-CD2 3.81Å; F33-F272 HydrophobicContact CZ-CD2 3.81Å; F33-F272 AromaticContact CZ-CE2 3.82Å; F33-F272 HydrophobicContact CZ-CE2 3.82Å |
| 34 | N | 88 | Confident | 87.3 | Confident | 81 Ų | 81 | 44.5 Ų | 44.5 | 43% | 0.433 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -38.5 | -172.4 | -69 | -22.7 | 0 | 0 | 0 | 113 | S31 Q38 | S31-N34 WeakPolarHBondContact O-CB 3.32Å; S31-N34 PolarHBondContact O-N 2.84Å; N34-Q38 WeakPolarHBondContact O-CB 3.3Å; N34-Q38 PolarHBondContact O-N 3.35Å |
| 35 | A | 90.5 | Very high | 88.1 | Confident | 78 Ų | 78 | 41.1 Ų | 41.1 | 65% | 0.645 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -47.4 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | F33 L37 Q38 | F33-A35 PolarHBondContact O-N 2.85Å; A35-L37 PolarHBondContact O-N 3.34Å; A35-Q38 WeakPolarHBondContact O-CB 3.2Å; A35-Q38 PolarHBondContact O-N 2.88Å |
| 36 | P | 90.8 | Very high | 88.8 | Confident | 49 Ų | 49 | 44.3 Ų | 44.3 | 32% | 0.318 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -39.3 | 174.8 | -26.3 | 35.4 | 0 | 0 | 0 | 114.1 | N32 F33 Q38 P39 L85 I239 | N32-P36 WeakPolarHBondContact O-CD 3.49Å; N32-P36 WeakPolarHBondContact O-CG 3.44Å; F33-P36 WeakPolarHBondContact O-CD 3.38Å; P36-Q38 VanDerWaalsContact C-N 3.33Å; P36-P39 WeakPolarHBondContact O-CD 3.39Å; P36-L85 HydrophobicContact CB-CD1 4.42Å; P36-L85 VanDerWaalsContact O-CD1 3.31Å; P36-L85 WeakPolarHBondContact O-CD1 3.27Å; P36-I239 HydrophobicContact CB-CD1 3.78Å; P36-I239 HydrophobicContact CB-CG1 4.21Å; P36-I239 HydrophobicContact CG-CD1 4.26Å; P36-I239 HydrophobicContact CG-CG1 4.38Å |
| 37 | L | 92 | Very high | 89.9 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -3.9 | -177.4 | -60.5 | -169.5 | 0 | 0 | 0 | 114.2 | L29 F33 A35 A40 Q41 L85 L209 V234 I236 I239 | L29-L37 HydrophobicContact CD2-CD1 4.16Å; F33-L37 HydrophobicContact CB-CD1 4.32Å; F33-L37 HydrophobicContact CD1-CD1 4.33Å; F33-L37 WeakPolarHBondContact O-CB 3.16Å; F33-L37 WeakPolarHBondContact O-CG 3.43Å; F33-L37 PolarHBondContact O-N 3.16Å; A35-L37 PolarHBondContact O-N 3.34Å; L37-A40 PolarHBondContact O-N 2.86Å; L37-Q41 WeakPolarHBondContact O-CG 3.31Å; L37-Q41 PolarHBondContact O-N 2.81Å; L37-L85 HydrophobicContact CD2-CD1 4.37Å; L37-L209 HydrophobicContact CD1-CD2 3.8Å; L37-V234 HydrophobicContact CD2-CB 4.37Å; L37-V234 HydrophobicContact CD2-CG2 3.87Å; L37-I236 HydrophobicContact CD2-CG2 4.27Å; L37-I239 HydrophobicContact CD2-CD1 4.12Å; L37-I239 HydrophobicContact CG-CD1 4.36Å |
| 38 | Q | 92.4 | Very high | 90.5 | Very high | 84 Ų | 84 | 38 Ų | 38 | 39% | 0.393 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -57.8 | -47.5 | -178 | -151.2 | -157.8 | -87.4 | 0 | 0 | 112.7 | N34 A35 P36 A40 Q41 D42 | N34-Q38 WeakPolarHBondContact O-CB 3.3Å; N34-Q38 PolarHBondContact O-N 3.35Å; A35-Q38 WeakPolarHBondContact O-CB 3.2Å; A35-Q38 PolarHBondContact O-N 2.88Å; P36-Q38 VanDerWaalsContact C-N 3.33Å; Q38-A40 VanDerWaalsContact C-N 3.35Å; Q38-A40 PolarHBondContact O-N 3.5Å; Q38-Q41 PolarHBondContact O-N 3.46Å; Q38-D42 PolarHBondContact NE2-OD2 3.03Å; Q38-D42 WeakPolarHBondContact O-CB 3.45Å; Q38-D42 PolarHBondContact O-N 2.94Å |
| 39 | P | 93.4 | Very high | 90.8 | Very high | 62 Ų | 62 | 36 Ų | 36 | 40% | 0.403 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.6 | -39.4 | -177.9 | -21 | 34.4 | 0 | 0 | 0 | 112.7 | P36 D42 A43 D83 | P36-P39 WeakPolarHBondContact O-CD 3.39Å; P39-D42 PolarHBondContact O-N 2.83Å; P39-A43 WeakPolarHBondContact O-CB 3.44Å; P39-A43 PolarHBondContact O-N 2.95Å; P39-D83 HydrophobicContact CB-CB 4.42Å |
| 40 | A | 92.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67 | -38.5 | 175 | 0 | 0 | 0 | 0 | 0 | 113.3 | L37 Q38 D42 L44 D83 I86 L211 V232 V234 | L37-A40 PolarHBondContact O-N 2.86Å; Q38-A40 VanDerWaalsContact C-N 3.35Å; Q38-A40 PolarHBondContact O-N 3.5Å; A40-D42 VanDerWaalsContact C-N 3.35Å; A40-L44 WeakPolarHBondContact O-CB 3.49Å; A40-L44 PolarHBondContact O-N 2.83Å; A40-D83 PolarHBondContact N-OD2 2.9Å; A40-I86 HydrophobicContact CB-CD1 4.17Å; A40-I86 HydrophobicContact CB-CG1 4.11Å; A40-L211 HydrophobicContact CB-CD1 4.11Å; A40-V232 HydrophobicContact CB-CG2 4.49Å; A40-V234 HydrophobicContact CB-CG1 3.71Å |
| 41 | Q | 93.3 | Very high | 91 | Very high | 33 Ų | 33 | 40.2 Ų | 40.2 | 15% | 0.154 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.5 | -39.3 | 172.1 | -69.1 | 173.9 | 19 | 0 | 0 | 111.6 | L37 Q38 L44 A45 V188 L211 | L37-Q41 WeakPolarHBondContact O-CG 3.31Å; L37-Q41 PolarHBondContact O-N 2.81Å; Q38-Q41 PolarHBondContact O-N 3.46Å; Q41-L44 PolarHBondContact O-N 3.39Å; Q41-A45 WeakPolarHBondContact O-CB 3.4Å; Q41-A45 PolarHBondContact O-N 3.35Å; Q41-V188 HydrophobicContact CG-CG1 4.38Å; Q41-L211 HydrophobicContact CG-CD1 4.1Å |
| 42 | D | 93.6 | Very high | 91.1 | Very high | 23 Ų | 23 | 35.4 Ų | 35.4 | 12% | 0.123 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.2 | -44.7 | 178.6 | -64.5 | -10.2 | 0 | 0 | 0 | 110.5 | Q38 P39 A40 A45 N46 R185 | Q38-D42 PolarHBondContact NE2-OD2 3.03Å; Q38-D42 WeakPolarHBondContact O-CB 3.45Å; Q38-D42 PolarHBondContact O-N 2.94Å; P39-D42 PolarHBondContact O-N 2.83Å; A40-D42 VanDerWaalsContact C-N 3.35Å; D42-A45 PolarHBondContact O-N 3.47Å; D42-N46 VanDerWaalsContact O-CB 3.26Å; D42-N46 WeakPolarHBondContact O-CB 3.28Å; D42-N46 PolarHBondContact O-N 2.83Å; D42-N46 PolarHBondContact O-ND2 2.9Å; D42-R185 WeakPolarHBondContact OD1-CD 3.18Å; D42-R185 WeakPolarHBondContact OD1-CG 3.28Å; D42-R185 IonicContact OD1-CZ 2.88Å; D42-R185 IonicContact OD1-NE 3.45Å; D42-R185 PolarHBondContact OD1-NE 3.28Å; D42-R185 IonicContact OD1-NH1 3.36Å; D42-R185 PolarHBondContact OD1-NH1 2.91Å; D42-R185 VanDerWaalsContact OD1-NH1 3.14Å; D42-R185 IonicContact OD1-NH2 2.78Å; D42-R185 PolarHBondContact OD1-NH2 2.99Å; D42-R185 VanDerWaalsContact OD1-NH2 3.1Å; D42-R185 IonicContact OD2-CZ 3.3Å; D42-R185 IonicContact OD2-NH1 2.91Å; D42-R185 PolarHBondContact OD2-NH1 3.38Å; D42-R185 IonicContact OD2-NH2 2.71Å; D42-R185 PolarHBondContact OD2-NH2 3.4Å |
| 43 | A | 93.9 | Very high | 90.9 | Very high | 13 Ų | 13 | 36.7 Ų | 36.7 | 11% | 0.107 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.1 | -43.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | P39 T47 L79 A82 | P39-A43 WeakPolarHBondContact O-CB 3.44Å; P39-A43 PolarHBondContact O-N 2.95Å; A43-T47 VanDerWaalsContact O-CB 3.3Å; A43-T47 WeakPolarHBondContact O-CB 3.41Å; A43-T47 PolarHBondContact O-N 3.4Å; A43-T47 PolarHBondContact O-OG1 3.25Å; A43-L79 HydrophobicContact CB-CD1 3.86Å; A43-A82 HydrophobicContact CB-CB 3.73Å |
| 44 | L | 93.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.3 | -53.3 | 172.8 | -87.4 | -177.4 | 0 | 0 | 0 | 112.1 | A40 Q41 N46 T47 A48 L79 V188 L211 T213 V230 V232 | A40-L44 WeakPolarHBondContact O-CB 3.49Å; A40-L44 PolarHBondContact O-N 2.83Å; Q41-L44 PolarHBondContact O-N 3.39Å; L44-N46 VanDerWaalsContact C-N 3.34Å; L44-N46 PolarHBondContact O-N 3.23Å; L44-T47 PolarHBondContact O-N 3.41Å; L44-A48 WeakPolarHBondContact O-CB 3.35Å; L44-A48 PolarHBondContact O-N 3.44Å; L44-L79 HydrophobicContact CD2-CD2 4.42Å; L44-V188 HydrophobicContact CB-CG2 4.21Å; L44-V188 HydrophobicContact CD1-CG1 3.63Å; L44-L211 HydrophobicContact CD1-CB 3.5Å; L44-T213 HydrophobicContact CB-CG2 4.19Å; L44-V230 HydrophobicContact CD2-CB 3.99Å; L44-V230 HydrophobicContact CD2-CG1 3.62Å; L44-V232 HydrophobicContact CD1-CG2 3.85Å; L44-V232 HydrophobicContact CD2-CG1 3.96Å; L44-V232 HydrophobicContact CD2-CG2 4.22Å; L44-V232 HydrophobicContact CG-CG1 4.3Å; L44-V232 HydrophobicContact CG-CG2 3.84Å |
| 45 | A | 91.9 | Very high | 90.1 | Very high | 4 Ų | 4 | 35 Ų | 35 | 3% | 0.033 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.1 | -42.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q41 D42 A48 N49 V188 | Q41-A45 WeakPolarHBondContact O-CB 3.4Å; Q41-A45 PolarHBondContact O-N 3.35Å; D42-A45 PolarHBondContact O-N 3.47Å; A45-A48 PolarHBondContact O-N 3.35Å; A45-N49 VanDerWaalsContact O-CB 3.29Å; A45-N49 WeakPolarHBondContact O-CB 3.09Å; A45-N49 PolarHBondContact O-N 3.43Å; A45-N49 PolarHBondContact O-ND2 3.16Å; A45-V188 HydrophobicContact CB-CG2 4.42Å |
| 46 | N | 92.6 | Very high | 89.6 | Confident | 107 Ų | 107 | 32 Ų | 32 | 57% | 0.572 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -65 | -39.4 | 176.2 | -69.5 | -19.8 | 0 | 0 | 0 | 112.4 | D42 L44 N49 F50 | D42-N46 VanDerWaalsContact O-CB 3.26Å; D42-N46 WeakPolarHBondContact O-CB 3.28Å; D42-N46 PolarHBondContact O-N 2.83Å; D42-N46 PolarHBondContact O-ND2 2.9Å; L44-N46 VanDerWaalsContact C-N 3.34Å; L44-N46 PolarHBondContact O-N 3.23Å; N46-N49 PolarHBondContact O-N 2.73Å; N46-F50 WeakPolarHBondContact O-CB 3.46Å; N46-F50 PolarHBondContact O-N 2.79Å |
| 47 | T | 93.6 | Very high | 88.6 | Confident | 16 Ų | 16 | 30.4 Ų | 30.4 | 10% | 0.098 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.1 | -44.3 | 176.6 | -57.5 | 0 | 0 | 0 | 0 | 111.5 | A43 L44 N49 F50 L51 L75 L79 V230 | A43-T47 VanDerWaalsContact O-CB 3.3Å; A43-T47 WeakPolarHBondContact O-CB 3.41Å; A43-T47 PolarHBondContact O-N 3.4Å; A43-T47 PolarHBondContact O-OG1 3.25Å; L44-T47 PolarHBondContact O-N 3.41Å; T47-N49 VanDerWaalsContact C-N 3.32Å; T47-N49 PolarHBondContact O-N 2.83Å; T47-F50 PolarHBondContact O-N 3.23Å; T47-L51 HydrophobicContact CG2-CD1 4.48Å; T47-L51 WeakPolarHBondContact O-CG 3.34Å; T47-L51 PolarHBondContact O-N 3.03Å; T47-L75 HydrophobicContact CG2-CD1 4.12Å; T47-L75 HydrophobicContact CG2-CD2 4.04Å; T47-L75 HydrophobicContact CG2-CG 4.01Å; T47-L79 HydrophobicContact CG2-CD2 4.42Å; T47-V230 HydrophobicContact CG2-CG1 4Å; T47-V230 HydrophobicContact CG2-CG2 4.24Å |
| 48 | A | 91.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.5 | -37.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | L44 A45 L51 N52 T213 F215 V230 | L44-A48 WeakPolarHBondContact O-CB 3.35Å; L44-A48 PolarHBondContact O-N 3.44Å; A45-A48 PolarHBondContact O-N 3.35Å; A48-L51 PolarHBondContact O-N 2.98Å; A48-N52 VanDerWaalsContact O-CB 3.31Å; A48-N52 WeakPolarHBondContact O-CB 3.31Å; A48-N52 PolarHBondContact O-N 3.12Å; A48-N52 PolarHBondContact O-OD1 3.1Å; A48-T213 HydrophobicContact CB-CG2 3.65Å; A48-F215 HydrophobicContact CB-CB 4.37Å; A48-V230 HydrophobicContact CB-CG2 4.44Å |
| 49 | N | 89.9 | Confident | 85.5 | Confident | 23 Ų | 23 | 33.2 Ų | 33.2 | 12% | 0.123 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.9 | -35.2 | 175 | -71.8 | -31.2 | 0 | 0 | 0 | 113 | A45 N46 T47 M53 V182 T183 | A45-N49 VanDerWaalsContact O-CB 3.29Å; A45-N49 WeakPolarHBondContact O-CB 3.09Å; A45-N49 PolarHBondContact O-N 3.43Å; A45-N49 PolarHBondContact O-ND2 3.16Å; N46-N49 PolarHBondContact O-N 2.73Å; T47-N49 VanDerWaalsContact C-N 3.32Å; T47-N49 PolarHBondContact O-N 2.83Å; N49-M53 WeakPolarHBondContact O-CG 3.27Å; N49-M53 PolarHBondContact O-N 3.15Å; N49-V182 WeakPolarHBondContact OD1-CG1 3.42Å; N49-T183 PolarHBondContact ND2-O 3.26Å; N49-T183 PolarHBondContact OD1-N 3.1Å; N49-T183 PolarHBondContact OD1-O 3.41Å |
| 50 | F | 89.1 | Confident | 83.6 | Confident | 105 Ų | 105 | 37.5 Ų | 37.5 | 46% | 0.461 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62.1 | -48.7 | 170.8 | 176 | -100 | 0 | 0 | 0 | 111.1 | N46 T47 M53 V54 L75 | N46-F50 WeakPolarHBondContact O-CB 3.46Å; N46-F50 PolarHBondContact O-N 2.79Å; T47-F50 PolarHBondContact O-N 3.23Å; F50-M53 PolarHBondContact O-N 3.36Å; F50-V54 HydrophobicContact CE1-CG2 4.3Å; F50-V54 HydrophobicContact CZ-CG2 4.25Å; F50-V54 WeakPolarHBondContact O-CG2 3.5Å; F50-V54 PolarHBondContact O-N 2.75Å; F50-L75 HydrophobicContact CD1-CD1 3.91Å; F50-L75 HydrophobicContact CD1-CD2 4.2Å; F50-L75 HydrophobicContact CE1-CD1 4.12Å; F50-L75 HydrophobicContact CE1-CD2 4.4Å |
| 51 | L | 88.4 | Confident | 81.9 | Confident | 4 Ų | 4 | 41.6 Ų | 41.6 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.3 | -40.2 | 176.5 | -67.4 | 173.4 | 0 | 0 | 0 | 112.5 | T47 A48 V54 F55 Y72 L75 L91 F215 V230 | T47-L51 HydrophobicContact CG2-CD1 4.48Å; T47-L51 WeakPolarHBondContact O-CG 3.34Å; T47-L51 PolarHBondContact O-N 3.03Å; A48-L51 PolarHBondContact O-N 2.98Å; L51-V54 PolarHBondContact O-N 3.36Å; L51-F55 HydrophobicContact CB-CD2 4.33Å; L51-F55 HydrophobicContact CB-CE2 4.42Å; L51-F55 HydrophobicContact CD2-CE2 4.08Å; L51-F55 VanDerWaalsContact O-CD2 3.23Å; L51-F55 WeakPolarHBondContact O-CD2 3.47Å; L51-F55 PolarHBondContact O-N 3.45Å; L51-Y72 HydrophobicContact CD2-CE1 4.3Å; L51-L75 HydrophobicContact CD1-CD2 4.1Å; L51-L75 HydrophobicContact CD2-CD2 3.59Å; L51-L75 HydrophobicContact CG-CD2 3.91Å; L51-L91 HydrophobicContact CD1-CD1 3.76Å; L51-F215 HydrophobicContact CB-CB 4.02Å; L51-F215 HydrophobicContact CB-CD1 4.48Å; L51-F215 HydrophobicContact CB-CD2 3.82Å; L51-F215 HydrophobicContact CB-CE2 4.42Å; L51-F215 HydrophobicContact CB-CG 3.85Å; L51-F215 HydrophobicContact CD1-CD1 3.74Å; L51-F215 HydrophobicContact CD1-CD2 4.26Å; L51-F215 HydrophobicContact CD1-CE1 3.81Å; L51-F215 HydrophobicContact CD1-CE2 4.34Å; L51-F215 HydrophobicContact CD1-CG 3.96Å; L51-F215 HydrophobicContact CD1-CZ 4.12Å; L51-V230 HydrophobicContact CD1-CG2 3.81Å |
| 52 | N | 86.8 | Confident | 80.1 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -55.3 | -51.2 | 171 | -77.4 | 0.3 | 0 | 0 | 0 | 110.7 | A48 V54 F55 Q56 Y181 F215 Y216 | A48-N52 VanDerWaalsContact O-CB 3.31Å; A48-N52 WeakPolarHBondContact O-CB 3.31Å; A48-N52 PolarHBondContact O-N 3.12Å; A48-N52 PolarHBondContact O-OD1 3.1Å; N52-V54 VanDerWaalsContact C-N 3.3Å; N52-V54 PolarHBondContact O-N 3.25Å; N52-F55 PolarHBondContact O-N 3.21Å; N52-Q56 WeakPolarHBondContact O-CB 3.45Å; N52-Q56 WeakPolarHBondContact O-CG 3.4Å; N52-Q56 PolarHBondContact O-N 3.03Å; N52-Y181 PolarHBondContact ND2-O 2.72Å; N52-F215 WeakPolarHBondContact OD1-CA 2.72Å; N52-F215 VanDerWaalsContact OD1-CB 3.31Å; N52-F215 WeakPolarHBondContact OD1-CB 2.71Å; N52-Y216 PolarHBondContact OD1-N 2.98Å |
| 53 | M | 81.4 | Confident | 78.2 | Confident | 87 Ų | 87 | 49.1 Ų | 49.1 | 43% | 0.429 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.2 | -38.8 | 178.5 | -72.9 | -176.6 | -61.5 | 0 | 0 | 112 | N49 F50 A57 L163 | N49-M53 WeakPolarHBondContact O-CG 3.27Å; N49-M53 PolarHBondContact O-N 3.15Å; F50-M53 PolarHBondContact O-N 3.36Å; M53-A57 WeakPolarHBondContact O-CB 3.31Å; M53-A57 PolarHBondContact O-N 2.89Å; M53-L163 HydrophobicContact CG-CD1 4.28Å; M53-L163 HydrophobicContact SD-CD1 4.11Å |
| 54 | V | 81.1 | Confident | 76.8 | Confident | 29 Ų | 29 | 49.9 Ų | 49.9 | 18% | 0.176 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.9 | -51.2 | 176.4 | 174.4 | 0 | 0 | 0 | 0 | 112.1 | F50 L51 N52 A57 S58 | F50-V54 HydrophobicContact CE1-CG2 4.3Å; F50-V54 HydrophobicContact CZ-CG2 4.25Å; F50-V54 WeakPolarHBondContact O-CG2 3.5Å; F50-V54 PolarHBondContact O-N 2.75Å; L51-V54 PolarHBondContact O-N 3.36Å; N52-V54 VanDerWaalsContact C-N 3.3Å; N52-V54 PolarHBondContact O-N 3.25Å; V54-A57 WeakPolarHBondContact O-CB 3.42Å; V54-A57 PolarHBondContact O-N 3.05Å; V54-S58 PolarHBondContact O-N 3.26Å; V54-S58 PolarHBondContact O-OG 3.11Å; V54-S58 VanDerWaalsContact O-OG 3.14Å |
| 55 | F | 80.6 | Confident | 75.6 | Confident | 18 Ų | 18 | 51 Ų | 51 | 8% | 0.079 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -81.1 | -14.6 | -174.7 | -67.6 | -62.9 | 0 | 0 | 0 | 114.8 | L51 N52 Y72 F93 F215 G217 | L51-F55 HydrophobicContact CB-CD2 4.33Å; L51-F55 HydrophobicContact CB-CE2 4.42Å; L51-F55 HydrophobicContact CD2-CE2 4.08Å; L51-F55 VanDerWaalsContact O-CD2 3.23Å; L51-F55 WeakPolarHBondContact O-CD2 3.47Å; L51-F55 PolarHBondContact O-N 3.45Å; N52-F55 PolarHBondContact O-N 3.21Å; F55-Y72 HydrophobicContact CZ-CE1 4.32Å; F55-Y72 WeakPolarHBondContact CZ-OH 3.46Å; F55-F93 HydrophobicContact CD1-CE2 4.36Å; F55-F93 HydrophobicContact CE1-CD2 4.4Å; F55-F93 AromaticContact CE1-CE2 3.57Å; F55-F93 HydrophobicContact CE1-CE2 3.57Å; F55-F93 HydrophobicContact CE1-CZ 4.15Å; F55-F93 HydrophobicContact CE2-CD2 4.03Å; F55-F93 AromaticContact CE2-CE2 3.9Å; F55-F93 HydrophobicContact CE2-CE2 3.9Å; F55-F93 AromaticContact CZ-CD2 3.67Å; F55-F93 HydrophobicContact CZ-CD2 3.67Å; F55-F93 AromaticContact CZ-CE2 3.29Å; F55-F93 HydrophobicContact CZ-CE2 3.29Å; F55-F93 HydrophobicContact CZ-CZ 4.2Å; F55-F215 AromaticContact CD2-CD2 3.84Å; F55-F215 HydrophobicContact CD2-CD2 3.84Å; F55-F215 AromaticContact CD2-CE2 3.77Å; F55-F215 HydrophobicContact CD2-CE2 3.77Å; F55-F215 HydrophobicContact CE2-CD2 4.04Å; F55-F215 AromaticContact CE2-CE2 3.53Å; F55-F215 HydrophobicContact CE2-CE2 3.53Å; F55-F215 HydrophobicContact CE2-CZ 4.46Å; F55-G217 WeakPolarHBondContact O-CA 3.44Å |
| 56 | Q | 79.1 | Confident | 74.5 | Confident | 16 Ų | 16 | 57 Ų | 57 | 8% | 0.075 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -86.4 | -20.1 | 169 | -61.2 | 169.5 | 21.5 | 0 | 0 | 111.4 | N52 S180 Y181 Y216 L218 | N52-Q56 WeakPolarHBondContact O-CB 3.45Å; N52-Q56 WeakPolarHBondContact O-CG 3.4Å; N52-Q56 PolarHBondContact O-N 3.03Å; Q56-S180 PolarHBondContact OE1-OG 2.93Å; Q56-Y181 PolarHBondContact NE2-O 3.47Å; Q56-Y216 WeakPolarHBondContact CG-O 3.44Å; Q56-Y216 PolarHBondContact NE2-O 3.33Å; Q56-L218 HydrophobicContact CB-CD1 4.18Å; Q56-L218 HydrophobicContact CB-CD2 4.44Å; Q56-L218 HydrophobicContact CB-CG 3.82Å; Q56-L218 HydrophobicContact CG-CD2 3.94Å; Q56-L218 HydrophobicContact CG-CG 3.79Å |
| 57 | A | 70.4 | Confident | 73.6 | Confident | 15 Ų | 15 | 59.5 Ų | 59.5 | 12% | 0.124 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -82.2 | -39 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | M53 V54 W175 | M53-A57 WeakPolarHBondContact O-CB 3.31Å; M53-A57 PolarHBondContact O-N 2.89Å; V54-A57 WeakPolarHBondContact O-CB 3.42Å; V54-A57 PolarHBondContact O-N 3.05Å; A57-W175 HydrophobicContact CB-CZ2 3.52Å |
| 58 | S | 63.5 | Low | 72.9 | Confident | 43 Ų | 43 | 59.4 Ų | 59.4 | 30% | 0.301 | 31% | 0.311 | S | S | . | . | trans | -116.1 | 121.4 | -163.4 | 63.3 | 0 | 0 | 0 | 0 | 113.7 | V54 L60 | V54-S58 PolarHBondContact O-N 3.26Å; V54-S58 PolarHBondContact O-OG 3.11Å; V54-S58 VanDerWaalsContact O-OG 3.14Å; S58-L60 VanDerWaalsContact C-N 3.28Å; S58-L60 PolarHBondContact O-N 2.77Å | ||
| 59 | D | 56.6 | Low | 72.5 | Confident | 99 Ų | 99 | 62.5 Ų | 62.5 | 53% | 0.529 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -0.8 | 178.4 | -73 | -44.7 | 0 | 0 | 0 | 115.2 | K174 | D59-K174 WeakPolarHBondContact OD1-CE 3.26Å; D59-K174 IonicContact OD1-NZ 2.65Å; D59-K174 PolarHBondContact OD1-NZ 3.34Å; D59-K174 WeakPolarHBondContact OD2-CE 3.32Å; D59-K174 IonicContact OD2-NZ 3.26Å |
| 60 | L | 52.1 | Low | 72.3 | Confident | 152 Ų | 152 | 69.3 Ų | 69.3 | 80% | 0.796 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.8 | 6.7 | -163.1 | -74.4 | 168.1 | 0 | 0 | 0 | 115.3 | S58 | S58-L60 VanDerWaalsContact C-N 3.28Å; S58-L60 PolarHBondContact O-N 2.77Å |
| 61 | R | 57.3 | Low | 72.2 | Confident | 87 Ų | 87 | 73.2 Ų | 73.2 | 33% | 0.328 | 37% | 0.369 | S | S | . | . | trans | -99.7 | 6.2 | -168.8 | -130.9 | 175 | 177 | 162.7 | 0 | 115.7 | S63 T64 D68 | R61-S63 VanDerWaalsContact C-N 3.29Å; R61-S63 PolarHBondContact O-N 3.26Å; R61-T64 WeakPolarHBondContact CG-OG1 3.44Å; R61-D68 IonicContact CZ-OD1 2.71Å; R61-D68 IonicContact CZ-OD2 2.73Å; R61-D68 IonicContact NE-OD1 3.68Å; R61-D68 IonicContact NE-OD2 3.3Å; R61-D68 PolarHBondContact NE-OD2 2.9Å; R61-D68 VanDerWaalsContact NH2-CG 3.31Å; R61-D68 IonicContact NH2-OD1 3.18Å; R61-D68 PolarHBondContact NH2-OD1 3.39Å; R61-D68 IonicContact NH2-OD2 3.39Å; R61-D68 PolarHBondContact NH2-OD2 3.48Å | ||
| 62 | E | 55 | Low | 72.2 | Confident | 103 Ų | 103 | 73.6 Ų | 73.6 | 48% | 0.481 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -18.2 | 178.9 | -58 | -170.5 | -153.4 | 0 | 0 | 112.9 | R227 | E62-R227 IonicContact OE1-CZ 3.57Å; E62-R227 IonicContact OE1-NH1 3.32Å; E62-R227 PolarHBondContact OE1-NH1 3.11Å; E62-R227 IonicContact OE1-NH2 3.79Å; E62-R227 PolarHBondContact OE1-NH2 3.42Å; E62-R227 IonicContact OE2-CZ 2.74Å; E62-R227 IonicContact OE2-NH1 3.21Å; E62-R227 PolarHBondContact OE2-NH1 3.1Å; E62-R227 IonicContact OE2-NH2 2.75Å |
| 63 | S | 54.6 | Low | 72.3 | Confident | 111 Ų | 111 | 75.6 Ų | 75.6 | 78% | 0.776 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.6 | 0.1 | -178 | 57.5 | 0 | 0 | 0 | 0 | 115.2 | R61 | R61-S63 VanDerWaalsContact C-N 3.29Å; R61-S63 PolarHBondContact O-N 3.26Å |
| 64 | T | 63.6 | Low | 72.8 | Confident | 28 Ų | 28 | 74 Ų | 74 | 17% | 0.172 | 38% | 0.381 | C | S | . | . | trans | -114.3 | 19.3 | -171.2 | 63.9 | 0 | 0 | 0 | 0 | 113.8 | R61 D66 E67 D68 | R61-T64 WeakPolarHBondContact CG-OG1 3.44Å; T64-D66 VanDerWaalsContact C-N 3.28Å; T64-D66 PolarHBondContact O-N 3.02Å; T64-E67 WeakPolarHBondContact CG2-OE2 3.49Å; T64-E67 PolarHBondContact O-N 2.83Å; T64-D68 PolarHBondContact O-N 2.86Å; T64-D68 PolarHBondContact OG1-OD2 3.41Å; T64-D68 VanDerWaalsContact OG1-OD2 3.05Å | ||
| 65 | V | 69.9 | Low | 73.4 | Confident | 23 Ų | 23 | 73.9 Ų | 73.9 | 14% | 0.139 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -39 | -174.6 | -176.6 | 0 | 0 | 0 | 0 | 112.7 | M69 F93 L104 | V65-M69 PolarHBondContact O-N 3.16Å; V65-F93 HydrophobicContact CG1-CD1 4.32Å; V65-F93 HydrophobicContact CG2-CD1 4.13Å; V65-F93 HydrophobicContact CG2-CE1 3.6Å; V65-F93 HydrophobicContact CG2-CZ 4.38Å; V65-L104 HydrophobicContact CG1-CB 4.23Å; V65-L104 HydrophobicContact CG1-CD2 3.8Å |
| 66 | D | 68.6 | Low | 74 | Confident | 132 Ų | 132 | 73.1 Ų | 73.1 | 71% | 0.706 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -28.3 | 176.6 | -72.4 | -43.4 | 0 | 0 | 0 | 113.1 | T64 M69 | T64-D66 VanDerWaalsContact C-N 3.28Å; T64-D66 PolarHBondContact O-N 3.02Å; D66-M69 HydrophobicContact CB-CE 4.37Å; D66-M69 WeakPolarHBondContact O-CB 3.48Å |
| 67 | E | 73.7 | Confident | 74.6 | Confident | 158 Ų | 158 | 77 Ų | 77 | 74% | 0.738 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -37.3 | 178.1 | -56.1 | -175.2 | 143.9 | 0 | 0 | 111.3 | T64 M69 | T64-E67 WeakPolarHBondContact CG2-OE2 3.49Å; T64-E67 PolarHBondContact O-N 2.83Å; E67-M69 VanDerWaalsContact C-N 3.27Å; E67-M69 PolarHBondContact O-N 2.98Å |
| 68 | D | 78.9 | Confident | 75.8 | Confident | 15 Ų | 15 | 79 Ų | 79 | 8% | 0.08 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -83.5 | 4.2 | 177.4 | -78.1 | -51.8 | 0 | 0 | 0 | 113.7 | R61 T64 E70 W71 Y72 | R61-D68 IonicContact CZ-OD1 2.71Å; R61-D68 IonicContact CZ-OD2 2.73Å; R61-D68 IonicContact NE-OD1 3.68Å; R61-D68 IonicContact NE-OD2 3.3Å; R61-D68 PolarHBondContact NE-OD2 2.9Å; R61-D68 VanDerWaalsContact NH2-CG 3.31Å; R61-D68 IonicContact NH2-OD1 3.18Å; R61-D68 PolarHBondContact NH2-OD1 3.39Å; R61-D68 IonicContact NH2-OD2 3.39Å; R61-D68 PolarHBondContact NH2-OD2 3.48Å; T64-D68 PolarHBondContact O-N 2.86Å; T64-D68 PolarHBondContact OG1-OD2 3.41Å; T64-D68 VanDerWaalsContact OG1-OD2 3.05Å; D68-E70 VanDerWaalsContact C-N 3.28Å; D68-E70 PolarHBondContact O-N 3.27Å; D68-W71 WeakPolarHBondContact O-CB 3.47Å; D68-W71 PolarHBondContact O-N 3.48Å; D68-Y72 HydrophobicContact CB-CD2 4.18Å; D68-Y72 HydrophobicContact CB-CE2 3.58Å; D68-Y72 VanDerWaalsContact O-CD2 3.25Å; D68-Y72 WeakPolarHBondContact O-CD2 3.42Å; D68-Y72 PolarHBondContact O-N 2.99Å |
| 69 | M | 82.3 | Confident | 77.2 | Confident | 65 Ų | 65 | 77.1 Ų | 77.1 | 32% | 0.32 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -55.3 | -37.7 | -173.3 | -164.1 | -167.4 | -51.2 | 0 | 0 | 113.6 | V65 D66 E67 W71 Y72 H73 | V65-M69 PolarHBondContact O-N 3.16Å; D66-M69 HydrophobicContact CB-CE 4.37Å; D66-M69 WeakPolarHBondContact O-CB 3.48Å; E67-M69 VanDerWaalsContact C-N 3.27Å; E67-M69 PolarHBondContact O-N 2.98Å; M69-W71 PolarHBondContact O-N 2.93Å; M69-Y72 PolarHBondContact O-N 3.36Å; M69-H73 PolarHBondContact O-CD2 2.79Å; M69-H73 PolarHBondContact O-N 3.27Å |
| 70 | E | 85.7 | Confident | 79 | Confident | 165 Ų | 165 | 72.4 Ų | 72.4 | 77% | 0.771 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -64.5 | -37.7 | 177 | -63.2 | -165.1 | 161.7 | 0 | 0 | 112.4 | D68 H73 A74 | D68-E70 VanDerWaalsContact C-N 3.28Å; D68-E70 PolarHBondContact O-N 3.27Å; E70-H73 PolarHBondContact O-N 3.48Å; E70-A74 WeakPolarHBondContact O-CB 3.43Å; E70-A74 PolarHBondContact O-N 2.83Å |
| 71 | W | 86.8 | Confident | 80.8 | Confident | 188 Ų | 188 | 69.8 Ų | 69.8 | 71% | 0.712 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -66.1 | -41.7 | 176 | -71.2 | 103.1 | 0 | 0 | 0 | 111.6 | D68 M69 A74 L75 | D68-W71 WeakPolarHBondContact O-CB 3.47Å; D68-W71 PolarHBondContact O-N 3.48Å; M69-W71 PolarHBondContact O-N 2.93Å; W71-A74 PolarHBondContact O-N 3.12Å; W71-L75 WeakPolarHBondContact O-CB 3.28Å; W71-L75 PolarHBondContact O-N 3.42Å |
| 72 | Y | 87.9 | Confident | 82.5 | Confident | 12 Ų | 12 | 68.4 Ų | 68.4 | 5% | 0.047 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -66.9 | -38.9 | 175.9 | -62 | -60.9 | 0 | 0 | 0 | 111.8 | L51 F55 D68 M69 L75 V76 L91 L104 | L51-Y72 HydrophobicContact CD2-CE1 4.3Å; F55-Y72 HydrophobicContact CZ-CE1 4.32Å; F55-Y72 WeakPolarHBondContact CZ-OH 3.46Å; D68-Y72 HydrophobicContact CB-CD2 4.18Å; D68-Y72 HydrophobicContact CB-CE2 3.58Å; D68-Y72 VanDerWaalsContact O-CD2 3.25Å; D68-Y72 WeakPolarHBondContact O-CD2 3.42Å; D68-Y72 PolarHBondContact O-N 2.99Å; M69-Y72 PolarHBondContact O-N 3.36Å; Y72-L75 PolarHBondContact O-N 3.41Å; Y72-V76 WeakPolarHBondContact O-CG2 3.05Å; Y72-V76 PolarHBondContact O-N 2.77Å; Y72-L91 HydrophobicContact CD1-CD2 3.81Å; Y72-L91 HydrophobicContact CG-CD2 4.3Å; Y72-L104 HydrophobicContact CD2-CD2 4.16Å; Y72-L104 HydrophobicContact CG-CD2 4.45Å |
| 73 | H | 90.2 | Very high | 84.2 | Confident | 41 Ų | 41 | 64.5 Ų | 64.5 | 19% | 0.19 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.3 | -43.8 | 171.8 | -86.8 | -60.9 | 0 | 0 | 0 | 112.6 | M69 E70 R77 L121 | M69-H73 PolarHBondContact O-CD2 2.79Å; M69-H73 PolarHBondContact O-N 3.27Å; E70-H73 PolarHBondContact O-N 3.48Å; H73-R77 WeakPolarHBondContact O-CB 3.49Å; H73-R77 PolarHBondContact O-N 2.8Å; H73-L121 HydrophobicContact CB-CD1 4.46Å |
| 74 | A | 91.4 | Very high | 85.8 | Confident | 55 Ų | 55 | 65.6 Ų | 65.6 | 46% | 0.455 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.1 | -40.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | E70 W71 R77 S78 | E70-A74 WeakPolarHBondContact O-CB 3.43Å; E70-A74 PolarHBondContact O-N 2.83Å; W71-A74 PolarHBondContact O-N 3.12Å; A74-R77 WeakPolarHBondContact O-CB 3.18Å; A74-R77 PolarHBondContact O-N 2.71Å; A74-S78 PolarHBondContact O-N 3.05Å |
| 75 | L | 93.1 | Very high | 87.1 | Confident | 25 Ų | 25 | 66.4 Ų | 66.4 | 13% | 0.131 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.5 | -52.4 | 177.8 | -171.7 | 67.2 | 0 | 0 | 0 | 111.7 | T47 F50 L51 W71 Y72 R77 S78 L79 | T47-L75 HydrophobicContact CG2-CD1 4.12Å; T47-L75 HydrophobicContact CG2-CD2 4.04Å; T47-L75 HydrophobicContact CG2-CG 4.01Å; F50-L75 HydrophobicContact CD1-CD1 3.91Å; F50-L75 HydrophobicContact CD1-CD2 4.2Å; F50-L75 HydrophobicContact CE1-CD1 4.12Å; F50-L75 HydrophobicContact CE1-CD2 4.4Å; L51-L75 HydrophobicContact CD1-CD2 4.1Å; L51-L75 HydrophobicContact CD2-CD2 3.59Å; L51-L75 HydrophobicContact CG-CD2 3.91Å; W71-L75 WeakPolarHBondContact O-CB 3.28Å; W71-L75 PolarHBondContact O-N 3.42Å; Y72-L75 PolarHBondContact O-N 3.41Å; L75-R77 PolarHBondContact O-N 2.88Å; L75-S78 PolarHBondContact O-N 2.84Å; L75-S78 VanDerWaalsContact O-N 3.12Å; L75-S78 PolarHBondContact O-OG 2.76Å; L75-L79 PolarHBondContact O-N 2.98Å |
| 76 | V | 93.3 | Very high | 88.1 | Confident | 3 Ų | 3 | 65.3 Ų | 65.3 | 2% | 0.018 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.9 | -31.7 | 179.3 | -175 | 0 | 0 | 0 | 0 | 111.8 | Y72 L80 A89 L91 L106 A108 | Y72-V76 WeakPolarHBondContact O-CG2 3.05Å; Y72-V76 PolarHBondContact O-N 2.77Å; V76-L80 PolarHBondContact O-N 3.11Å; V76-A89 HydrophobicContact CG1-CB 3.9Å; V76-L91 HydrophobicContact CG2-CB 3.35Å; V76-L91 HydrophobicContact CG2-CD2 4.07Å; V76-L91 HydrophobicContact CG2-CG 4.36Å; V76-L106 HydrophobicContact CG2-CB 4.17Å; V76-A108 HydrophobicContact CG1-CB 3.78Å |
| 77 | R | 92.8 | Very high | 89.1 | Confident | 98 Ų | 98 | 62 Ų | 62 | 37% | 0.37 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.1 | -51.2 | 170.6 | -175.4 | -177.4 | 177.8 | 113 | 16.3 | 111.9 | H73 A74 L75 L79 L80 E81 I119 L121 | H73-R77 WeakPolarHBondContact O-CB 3.49Å; H73-R77 PolarHBondContact O-N 2.8Å; A74-R77 WeakPolarHBondContact O-CB 3.18Å; A74-R77 PolarHBondContact O-N 2.71Å; L75-R77 PolarHBondContact O-N 2.88Å; R77-L79 VanDerWaalsContact C-N 3.26Å; R77-L79 PolarHBondContact O-N 3.25Å; R77-L80 WeakPolarHBondContact O-CB 3.38Å; R77-L80 PolarHBondContact O-N 2.9Å; R77-E81 IonicContact CZ-OE1 3.66Å; R77-E81 IonicContact NE-OE1 3.14Å; R77-E81 PolarHBondContact NE-OE1 3.35Å; R77-E81 IonicContact NE-OE2 3.97Å; R77-E81 IonicContact NH2-OE1 2.69Å; R77-E81 PolarHBondContact NH2-OE1 3.44Å; R77-E81 PolarHBondContact O-N 3.21Å; R77-I119 HydrophobicContact CG-CD1 4.25Å; R77-I119 HydrophobicContact CG-CG2 4.47Å; R77-L121 HydrophobicContact CB-CD1 4.5Å; R77-L121 HydrophobicContact CB-CD2 4.32Å |
| 78 | S | 93.7 | Very high | 89.9 | Confident | 56 Ų | 56 | 56 Ų | 56 | 39% | 0.392 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.5 | -37.2 | 180 | 70.5 | 0 | 0 | 0 | 0 | 112.4 | A74 L75 L80 E81 A82 | A74-S78 PolarHBondContact O-N 3.05Å; L75-S78 PolarHBondContact O-N 2.84Å; L75-S78 VanDerWaalsContact O-N 3.12Å; L75-S78 PolarHBondContact O-OG 2.76Å; S78-L80 PolarHBondContact O-N 2.87Å; S78-E81 CarbonylContact O-C 3.6Å; S78-E81 PolarHBondContact O-N 3.15Å; S78-A82 PolarHBondContact O-N 3.19Å |
| 79 | L | 94.3 | Very high | 90.6 | Very high | 3 Ų | 3 | 55.3 Ų | 55.3 | 2% | 0.016 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.6 | -36.5 | 174.4 | 177.2 | 60.5 | 0 | 0 | 0 | 113 | A43 L44 T47 L75 R77 I86 A89 V230 V232 | A43-L79 HydrophobicContact CB-CD1 3.86Å; L44-L79 HydrophobicContact CD2-CD2 4.42Å; T47-L79 HydrophobicContact CG2-CD2 4.42Å; L75-L79 PolarHBondContact O-N 2.98Å; R77-L79 VanDerWaalsContact C-N 3.26Å; R77-L79 PolarHBondContact O-N 3.25Å; L79-I86 VanDerWaalsContact O-CD1 3.26Å; L79-I86 WeakPolarHBondContact O-CD1 3.26Å; L79-A89 HydrophobicContact CB-CB 4.37Å; L79-A89 HydrophobicContact CD2-CB 4.12Å; L79-A89 HydrophobicContact CG-CB 4.04Å; L79-V230 HydrophobicContact CD2-CG1 3.3Å; L79-V232 HydrophobicContact CD1-CG1 3.79Å; L79-V232 HydrophobicContact CD2-CG1 3.73Å; L79-V232 HydrophobicContact CG-CG1 3.63Å |
| 80 | L | 93.1 | Very high | 91 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -71.4 | -31.2 | 172.5 | 178.2 | 62 | 0 | 0 | 0 | 112.4 | V76 R77 S78 I86 A89 A108 R110 I119 | V76-L80 PolarHBondContact O-N 3.11Å; R77-L80 WeakPolarHBondContact O-CB 3.38Å; R77-L80 PolarHBondContact O-N 2.9Å; S78-L80 PolarHBondContact O-N 2.87Å; L80-I86 HydrophobicContact CD1-CB 4.32Å; L80-I86 HydrophobicContact CD1-CG2 3.71Å; L80-I86 WeakPolarHBondContact CD1-O 3.44Å; L80-A89 HydrophobicContact CB-CB 3.98Å; L80-A108 HydrophobicContact CB-CB 4.13Å; L80-A108 HydrophobicContact CD2-CB 3.64Å; L80-R110 HydrophobicContact CD1-CB 4.27Å; L80-R110 HydrophobicContact CD2-CB 4.41Å; L80-R110 PolarHBondContact O-NH2 3.24Å; L80-I119 HydrophobicContact CD2-CB 4.35Å; L80-I119 HydrophobicContact CD2-CD1 3.97Å; L80-I119 HydrophobicContact CD2-CG1 3.91Å; L80-I119 HydrophobicContact CD2-CG2 3.65Å; L80-I119 HydrophobicContact CG-CD1 4.31Å |
| 81 | E | 91.8 | Very high | 91.3 | Very high | 97 Ų | 97 | 45.1 Ų | 45.1 | 45% | 0.453 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -80.5 | -17.6 | 178.7 | -70.4 | 175.8 | 170.3 | 0 | 0 | 113.1 | R77 S78 D83 I119 | R77-E81 IonicContact CZ-OE1 3.66Å; R77-E81 IonicContact NE-OE1 3.14Å; R77-E81 PolarHBondContact NE-OE1 3.35Å; R77-E81 IonicContact NE-OE2 3.97Å; R77-E81 IonicContact NH2-OE1 2.69Å; R77-E81 PolarHBondContact NH2-OE1 3.44Å; R77-E81 PolarHBondContact O-N 3.21Å; S78-E81 CarbonylContact O-C 3.6Å; S78-E81 PolarHBondContact O-N 3.15Å; E81-D83 PolarHBondContact O-N 3.32Å; E81-I119 HydrophobicContact CG-CD1 3.45Å; E81-I119 VanDerWaalsContact CG-CD1 3.45Å; E81-I119 VanDerWaalsContact OE1-CD1 3.23Å; E81-I119 WeakPolarHBondContact OE1-CD1 3.41Å |
| 82 | A | 91.5 | Very high | 91.4 | Very high | 58 Ų | 58 | 36.2 Ų | 36.2 | 48% | 0.479 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -66.6 | -25.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | A43 S78 | A43-A82 HydrophobicContact CB-CB 3.73Å; S78-A82 PolarHBondContact O-N 3.19Å |
| 83 | D | 91.1 | Very high | 91.3 | Very high | 22 Ų | 22 | 35.7 Ų | 35.7 | 12% | 0.118 | 19% | 0.194 | C | C | . | . | trans | -146.7 | 142.5 | 176.1 | -174.2 | -6.3 | 0 | 0 | 0 | 110 | P39 A40 E81 L85 I86 R110 | P39-D83 HydrophobicContact CB-CB 4.42Å; A40-D83 PolarHBondContact N-OD2 2.9Å; E81-D83 PolarHBondContact O-N 3.32Å; D83-L85 VanDerWaalsContact C-N 3.29Å; D83-L85 PolarHBondContact OD1-N 2.79Å; D83-I86 HydrophobicContact CB-CD1 3.81Å; D83-I86 HydrophobicContact CB-CG1 4.02Å; D83-I86 PolarHBondContact O-N 3.18Å; D83-R110 PolarHBondContact O-NH2 3.22Å | ||
| 84 | L | 88.5 | Confident | 90.7 | Very high | 133 Ų | 133 | 33.8 Ų | 33.8 | 70% | 0.696 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -23.8 | 175.5 | -63.3 | 179.1 | 0 | 0 | 0 | 112.6 | I86 | L84-I86 VanDerWaalsContact C-N 3.25Å; L84-I86 PolarHBondContact O-N 3.18Å |
| 85 | L | 89.9 | Confident | 89.6 | Confident | 45 Ų | 45 | 31.8 Ų | 31.8 | 24% | 0.236 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -24.2 | 174.1 | -62.2 | -178.6 | 0 | 0 | 0 | 112.4 | P36 L37 D83 Q87 V234 N235 | P36-L85 HydrophobicContact CB-CD1 4.42Å; P36-L85 VanDerWaalsContact O-CD1 3.31Å; P36-L85 WeakPolarHBondContact O-CD1 3.27Å; L37-L85 HydrophobicContact CD2-CD1 4.37Å; D83-L85 VanDerWaalsContact C-N 3.29Å; D83-L85 PolarHBondContact OD1-N 2.79Å; L85-Q87 PolarHBondContact O-N 2.95Å; L85-V234 HydrophobicContact CB-CB 4.47Å; L85-V234 HydrophobicContact CB-CG1 4.45Å; L85-V234 CarbonylContact O-C 3.51Å; L85-V234 VanDerWaalsContact O-CA 3.31Å; L85-V234 WeakPolarHBondContact O-CA 3.46Å; L85-N235 PolarHBondContact O-N 3.3Å |
| 86 | I | 91.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 117.9 | 179.4 | -57.4 | 164.7 | 0 | 0 | 0 | 109.7 | A40 L79 L80 D83 L84 R110 V232 V234 | A40-I86 HydrophobicContact CB-CD1 4.17Å; A40-I86 HydrophobicContact CB-CG1 4.11Å; L79-I86 VanDerWaalsContact O-CD1 3.26Å; L79-I86 WeakPolarHBondContact O-CD1 3.26Å; L80-I86 HydrophobicContact CD1-CB 4.32Å; L80-I86 HydrophobicContact CD1-CG2 3.71Å; L80-I86 WeakPolarHBondContact CD1-O 3.44Å; D83-I86 HydrophobicContact CB-CD1 3.81Å; D83-I86 HydrophobicContact CB-CG1 4.02Å; D83-I86 PolarHBondContact O-N 3.18Å; L84-I86 VanDerWaalsContact C-N 3.25Å; L84-I86 PolarHBondContact O-N 3.18Å; I86-R110 PolarHBondContact O-NE 3.47Å; I86-V232 HydrophobicContact CD1-CB 4.38Å; I86-V232 HydrophobicContact CD1-CG1 4.12Å; I86-V232 HydrophobicContact CD1-CG2 4.45Å; I86-V232 HydrophobicContact CG1-CB 4.24Å; I86-V232 HydrophobicContact CG1-CG1 4.48Å; I86-V232 HydrophobicContact CG1-CG2 4.34Å; I86-V232 HydrophobicContact CG2-CB 3.9Å; I86-V232 HydrophobicContact CG2-CG1 4.04Å; I86-V234 HydrophobicContact CG1-CG1 3.73Å |
| 87 | Q | 89 | Confident | 87.4 | Confident | 64 Ų | 64 | 37 Ų | 37 | 30% | 0.299 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | -34.6 | 175.8 | -68.7 | -176.8 | -27.7 | 0 | 0 | 112.1 | L85 T109 R110 I208 D233 N235 | L85-Q87 PolarHBondContact O-N 2.95Å; Q87-T109 WeakPolarHBondContact O-CA 3.41Å; Q87-R110 PolarHBondContact O-N 2.85Å; Q87-I208 VanDerWaalsContact OE1-CD1 3.27Å; Q87-D233 PolarHBondContact N-O 3.17Å; Q87-N235 HydrophobicContact CG-CB 4.16Å |
| 88 | R | 90.4 | Very high | 86.3 | Confident | 32 Ų | 32 | 36.8 Ų | 36.8 | 12% | 0.121 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 130.5 | -178.8 | 174.6 | 166.5 | 59.4 | -142 | 0.4 | 110.1 | R107 A108 T109 D197 V232 D233 | R88-R107 HydrophobicContact CG-CG 4.39Å; R88-A108 CarbonylContact C-O 3.54Å; R88-A108 VanDerWaalsContact CA-O 3.31Å; R88-A108 WeakPolarHBondContact CA-O 3.33Å; R88-T109 HydrophobicContact CB-CG2 3.88Å; R88-T109 HydrophobicContact CG-CG2 3.76Å; R88-D197 IonicContact CZ-OD2 3.58Å; R88-D197 VanDerWaalsContact CZ-OD2 3.24Å; R88-D197 IonicContact NH1-OD2 3.33Å; R88-D197 PolarHBondContact NH1-OD2 3.2Å; R88-D197 IonicContact NH2-OD2 2.68Å; R88-D197 PolarHBondContact NH2-OD2 3.3Å; R88-V232 CarbonylContact O-C 3.59Å; R88-V232 WeakPolarHBondContact O-CA 3.31Å; R88-D233 HydrophobicContact CB-CB 4.2Å; R88-D233 IonicContact CZ-OD2 2.74Å; R88-D233 PolarHBondContact N-O 3.42Å; R88-D233 IonicContact NE-OD2 3.25Å; R88-D233 PolarHBondContact NE-OD2 3.23Å; R88-D233 IonicContact NH2-OD2 2.71Å; R88-D233 PolarHBondContact NH2-OD2 2.87Å; R88-D233 PolarHBondContact O-N 2.95Å |
| 89 | A | 93.4 | Very high | 85.3 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 146.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | V76 L79 L80 A108 V232 | V76-A89 HydrophobicContact CG1-CB 3.9Å; L79-A89 HydrophobicContact CB-CB 4.37Å; L79-A89 HydrophobicContact CD2-CB 4.12Å; L79-A89 HydrophobicContact CG-CB 4.04Å; L80-A89 HydrophobicContact CB-CB 3.98Å; A89-A108 HydrophobicContact CB-CB 4.45Å; A89-A108 PolarHBondContact N-O 2.97Å; A89-A108 PolarHBondContact O-N 3.34Å; A89-V232 HydrophobicContact CB-CG1 4.19Å |
| 90 | L | 91 | Very high | 84.2 | Confident | 13 Ų | 13 | 38.6 Ų | 38.6 | 7% | 0.068 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 128.9 | -175.7 | -169.2 | 79.5 | 0 | 0 | 0 | 109.8 | V105 L106 R107 I124 W142 R231 | L90-V105 HydrophobicContact CD1-CG1 3.88Å; L90-V105 HydrophobicContact CG-CG1 4.38Å; L90-L106 CarbonylContact C-O 3.47Å; L90-L106 WeakPolarHBondContact CA-O 3.31Å; L90-R107 HydrophobicContact CD1-CB 3.77Å; L90-R107 HydrophobicContact CD1-CG 4.31Å; L90-I124 HydrophobicContact CD1-CD1 4.05Å; L90-W142 HydrophobicContact CD2-CH2 3.51Å; L90-W142 HydrophobicContact CD2-CZ2 3.66Å; L90-R231 HydrophobicContact CB-CB 4.21Å; L90-R231 HydrophobicContact CB-CG 4.43Å; L90-R231 PolarHBondContact N-O 3.33Å; L90-R231 PolarHBondContact O-N 3.49Å |
| 91 | L | 91.8 | Very high | 83.3 | Confident | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.016 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 129.8 | 167.3 | 175.7 | 65.6 | 0 | 0 | 0 | 108.6 | L51 Y72 V76 V105 L106 F215 V230 | L51-L91 HydrophobicContact CD1-CD1 3.76Å; Y72-L91 HydrophobicContact CD1-CD2 3.81Å; Y72-L91 HydrophobicContact CG-CD2 4.3Å; V76-L91 HydrophobicContact CG2-CB 3.35Å; V76-L91 HydrophobicContact CG2-CD2 4.07Å; V76-L91 HydrophobicContact CG2-CG 4.36Å; L91-V105 WeakPolarHBondContact O-CA 3.37Å; L91-L106 PolarHBondContact N-O 2.92Å; L91-L106 PolarHBondContact O-N 3.18Å; L91-F215 HydrophobicContact CD1-CE1 3.57Å; L91-F215 HydrophobicContact CD1-CZ 4.02Å; L91-V230 HydrophobicContact CD1-CG2 4.14Å |
| 92 | T | 88.9 | Confident | 82.8 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 130.6 | 163.5 | 49.9 | 0 | 0 | 0 | 0 | 108.1 | P102 L104 V105 W128 W142 F143 F215 G228 V229 | T92-P102 HydrophobicContact CG2-CB 4.32Å; T92-P102 HydrophobicContact CG2-CG 4.16Å; T92-L104 CarbonylContact C-O 3.6Å; T92-L104 WeakPolarHBondContact CA-O 3.27Å; T92-V105 HydrophobicContact CG2-CG1 4.02Å; T92-V105 HydrophobicContact CG2-CG2 4.19Å; T92-W128 HydrophobicContact CG2-CH2 4.36Å; T92-W128 HydrophobicContact CG2-CZ3 4.46Å; T92-W142 HydrophobicContact CG2-CH2 3.79Å; T92-W142 HydrophobicContact CG2-CZ3 4.48Å; T92-F143 HydrophobicContact CG2-CD2 4.22Å; T92-F143 HydrophobicContact CG2-CE2 4.47Å; T92-F143 WeakPolarHBondContact OG1-CD2 3.37Å; T92-F215 WeakPolarHBondContact O-CE1 3.31Å; T92-G228 VanDerWaalsContact O-CA 3.28Å; T92-G228 WeakPolarHBondContact O-CA 3.47Å; T92-V229 PolarHBondContact N-O 3.02Å; T92-V229 PolarHBondContact O-N 2.92Å; T92-V229 VanDerWaalsContact O-N 3.09Å; T92-V229 WeakPolarHBondContact OG1-CB 3.43Å; T92-V229 PolarHBondContact OG1-N 3.26Å; T92-V229 VanDerWaalsContact OG1-N 3.15Å; T92-V229 PolarHBondContact OG1-O 3.11Å |
| 93 | F | 86.8 | Confident | 82.4 | Confident | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.009 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 144.1 | 171.6 | 173.2 | -90.6 | 0 | 0 | 0 | 109.7 | F55 V65 A95 Q103 L104 F215 R227 | F55-F93 HydrophobicContact CD1-CE2 4.36Å; F55-F93 HydrophobicContact CE1-CD2 4.4Å; F55-F93 AromaticContact CE1-CE2 3.57Å; F55-F93 HydrophobicContact CE1-CE2 3.57Å; F55-F93 HydrophobicContact CE1-CZ 4.15Å; F55-F93 HydrophobicContact CE2-CD2 4.03Å; F55-F93 AromaticContact CE2-CE2 3.9Å; F55-F93 HydrophobicContact CE2-CE2 3.9Å; F55-F93 AromaticContact CZ-CD2 3.67Å; F55-F93 HydrophobicContact CZ-CD2 3.67Å; F55-F93 AromaticContact CZ-CE2 3.29Å; F55-F93 HydrophobicContact CZ-CE2 3.29Å; F55-F93 HydrophobicContact CZ-CZ 4.2Å; V65-F93 HydrophobicContact CG1-CD1 4.32Å; V65-F93 HydrophobicContact CG2-CD1 4.13Å; V65-F93 HydrophobicContact CG2-CE1 3.6Å; V65-F93 HydrophobicContact CG2-CZ 4.38Å; F93-A95 HydrophobicContact CE1-CB 3.96Å; F93-A95 HydrophobicContact CZ-CB 4Å; F93-Q103 PolarHBondContact O-N 2.98Å; F93-L104 HydrophobicContact CB-CB 4.29Å; F93-L104 PolarHBondContact N-O 3.1Å; F93-L104 PolarHBondContact O-N 3.36Å; F93-L104 VanDerWaalsContact O-N 3.08Å; F93-F215 HydrophobicContact CB-CZ 4.39Å; F93-F215 AromaticContact CD2-CE2 3.95Å; F93-F215 HydrophobicContact CD2-CE2 3.95Å; F93-F215 AromaticContact CD2-CZ 3.98Å; F93-F215 HydrophobicContact CD2-CZ 3.98Å; F93-R227 WeakPolarHBondContact CA-O 3.26Å; F93-R227 VanDerWaalsContact CD2-O 3.29Å; F93-R227 WeakPolarHBondContact CD2-O 3.45Å; F93-R227 HydrophobicContact CE2-CB 4.11Å |
| 94 | D | 78.3 | Confident | 82.2 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | trans | -154.7 | 107.7 | -173.1 | -169.6 | -2.8 | 0 | 0 | 0 | 109.6 | D96 P102 F143 K147 R227 | D94-D96 PolarHBondContact OD1-N 2.83Å; D94-P102 HydrophobicContact CB-CB 4.47Å; D94-F143 HydrophobicContact CB-CZ 4.4Å; D94-K147 IonicContact OD1-NZ 3.34Å; D94-K147 IonicContact OD2-NZ 2.74Å; D94-K147 PolarHBondContact OD2-NZ 2.98Å; D94-R227 PolarHBondContact N-O 3.32Å; D94-R227 WeakPolarHBondContact O-CA 3.21Å | ||
| 95 | A | 67.4 | Low | 82.2 | Confident | 13 Ų | 13 | 31.3 Ų | 31.3 | 11% | 0.107 | 18% | 0.181 | C | C | . | . | trans | -78.8 | -20.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | F93 Q103 R227 | F93-A95 HydrophobicContact CE1-CB 3.96Å; F93-A95 HydrophobicContact CZ-CB 4Å; A95-Q103 VanDerWaalsContact CB-OE1 3.24Å; A95-R227 PolarHBondContact O-NH1 3.04Å; A95-R227 VanDerWaalsContact O-NH1 3.09Å | ||
| 96 | D | 73 | Confident | 82.2 | Confident | 60 Ų | 60 | 29.2 Ų | 29.2 | 32% | 0.321 | 17% | 0.17 | S | C | . | . | trans | -98.5 | 114.3 | -172.1 | 180 | -6.5 | 0 | 0 | 0 | 111.4 | D94 S98 A99 K147 | D94-D96 PolarHBondContact OD1-N 2.83Å; D96-S98 PolarHBondContact O-N 2.74Å; D96-S98 VanDerWaalsContact O-N 3.14Å; D96-S98 WeakPolarHBondContact OD1-CA 3.05Å; D96-S98 WeakPolarHBondContact OD1-CB 3.37Å; D96-S98 PolarHBondContact OD1-N 2.87Å; D96-S98 PolarHBondContact OD1-OG 2.9Å; D96-S98 PolarHBondContact OD2-OG 3.14Å; D96-A99 HydrophobicContact CB-CB 3.89Å; D96-A99 PolarHBondContact O-N 2.74Å; D96-A99 PolarHBondContact OD1-N 3.02Å; D96-K147 PolarHBondContact O-NZ 3.29Å | ||
| 97 | P | 67.9 | Low | 82.2 | Confident | 77 Ų | 77 | 32.3 Ų | 32.3 | 50% | 0.5 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -19.7 | 178.7 | 26.9 | -34.8 | 0 | 0 | 0 | 113.7 | K147 | P97-K147 WeakPolarHBondContact O-CE 3.22Š|
| 98 | S | 69.7 | Low | 82.4 | Confident | 93 Ų | 93 | 29.2 Ų | 29.2 | 65% | 0.65 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93 | -20 | -178.4 | 76.7 | 0 | 0 | 0 | 0 | 114.8 | D96 | D96-S98 PolarHBondContact O-N 2.74Å; D96-S98 VanDerWaalsContact O-N 3.14Å; D96-S98 WeakPolarHBondContact OD1-CA 3.05Å; D96-S98 WeakPolarHBondContact OD1-CB 3.37Å; D96-S98 PolarHBondContact OD1-N 2.87Å; D96-S98 PolarHBondContact OD1-OG 2.9Å; D96-S98 PolarHBondContact OD2-OG 3.14Å |
| 99 | A | 72.8 | Confident | 82.3 | Confident | 15 Ų | 15 | 28.7 Ų | 28.7 | 12% | 0.124 | 17% | 0.168 | C | C | . | . | trans | -64.6 | 137.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D96 V101 K147 | D96-A99 HydrophobicContact CB-CB 3.89Å; D96-A99 PolarHBondContact O-N 2.74Å; D96-A99 PolarHBondContact OD1-N 3.02Å; A99-V101 VanDerWaalsContact C-N 3.35Å; A99-K147 PolarHBondContact O-NZ 2.92Å | ||
| 100 | P | 70.6 | Confident | 81.9 | Confident | 82 Ų | 82 | 31 Ų | 31 | 53% | 0.532 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -83.9 | -10.1 | 174.3 | 33.7 | -35.3 | 0 | 0 | 0 | 113.5 | ||
| 101 | V | 73.6 | Confident | 80.9 | Confident | 46 Ų | 46 | 33.4 Ų | 33.4 | 28% | 0.279 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -130.2 | 133 | -171.6 | 163.7 | 0 | 0 | 0 | 0 | 108.8 | A99 W128 | A99-V101 VanDerWaalsContact C-N 3.35Å; V101-W128 HydrophobicContact CG1-CG 4.48Å |
| 102 | P | 80.8 | Confident | 79.4 | Confident | 5 Ų | 5 | 37.3 Ų | 37.3 | 3% | 0.032 | 22% | 0.215 | C | C | . | . | trans | -64.3 | 142.8 | 176.4 | 27.1 | -35.1 | 0 | 0 | 0 | 111.9 | T92 D94 V105 W128 F143 | T92-P102 HydrophobicContact CG2-CB 4.32Å; T92-P102 HydrophobicContact CG2-CG 4.16Å; D94-P102 HydrophobicContact CB-CB 4.47Å; P102-V105 HydrophobicContact CB-CG2 4.04Å; P102-V105 HydrophobicContact CG-CG2 3.52Å; P102-W128 HydrophobicContact CG-CD2 4.14Å; P102-W128 HydrophobicContact CG-CH2 4.45Å; P102-W128 HydrophobicContact CG-CZ2 3.97Å; P102-F143 HydrophobicContact CB-CE1 4.47Å; P102-F143 HydrophobicContact CB-CE2 4Å; P102-F143 HydrophobicContact CB-CZ 3.8Å; P102-F143 HydrophobicContact CG-CE1 4.42Å; P102-F143 HydrophobicContact CG-CE2 4.39Å; P102-F143 HydrophobicContact CG-CZ 4.18Å | ||
| 103 | Q | 83.7 | Confident | 77.9 | Confident | 93 Ų | 93 | 43.2 Ų | 43.2 | 44% | 0.435 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -73.2 | -37.4 | -178.4 | -65 | 173.2 | -15.1 | 0 | 0 | 112.5 | F93 A95 | F93-Q103 PolarHBondContact O-N 2.98Å; A95-Q103 VanDerWaalsContact CB-OE1 3.24Å |
| 104 | L | 86.3 | Confident | 76.3 | Confident | 14 Ų | 14 | 45 Ų | 45 | 7% | 0.073 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 132.9 | 178.4 | 177.9 | 69.3 | 0 | 0 | 0 | 110.3 | V65 Y72 T92 F93 L106 S125 | V65-L104 HydrophobicContact CG1-CB 4.23Å; V65-L104 HydrophobicContact CG1-CD2 3.8Å; Y72-L104 HydrophobicContact CD2-CD2 4.16Å; Y72-L104 HydrophobicContact CG-CD2 4.45Å; T92-L104 CarbonylContact C-O 3.6Å; T92-L104 WeakPolarHBondContact CA-O 3.27Å; F93-L104 HydrophobicContact CB-CB 4.29Å; F93-L104 PolarHBondContact N-O 3.1Å; F93-L104 PolarHBondContact O-N 3.36Å; F93-L104 VanDerWaalsContact O-N 3.08Å; L104-L106 HydrophobicContact CD1-CD2 3.77Å; L104-L106 HydrophobicContact CD1-CG 4Å; L104-L106 HydrophobicContact CD2-CD1 4.32Å; L104-L106 HydrophobicContact CD2-CG 4.22Å; L104-L106 HydrophobicContact CG-CD2 4.38Å; L104-L106 HydrophobicContact CG-CG 4.06Å; L104-S125 WeakPolarHBondContact CA-OG 3.38Å |
| 105 | V | 88.7 | Confident | 74.9 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 100.9 | 177.3 | -167.9 | 0 | 0 | 0 | 0 | 110.2 | L90 L91 T92 P102 I124 S125 W128 | L90-V105 HydrophobicContact CD1-CG1 3.88Å; L90-V105 HydrophobicContact CG-CG1 4.38Å; L91-V105 WeakPolarHBondContact O-CA 3.37Å; T92-V105 HydrophobicContact CG2-CG1 4.02Å; T92-V105 HydrophobicContact CG2-CG2 4.19Å; P102-V105 HydrophobicContact CB-CG2 4.04Å; P102-V105 HydrophobicContact CG-CG2 3.52Å; V105-I124 HydrophobicContact CB-CG1 3.87Å; V105-I124 HydrophobicContact CG1-CD1 3.8Å; V105-I124 HydrophobicContact CG1-CG1 3.48Å; V105-I124 VanDerWaalsContact CG1-CG1 3.48Å; V105-I124 WeakPolarHBondContact O-CG1 3.38Å; V105-I124 PolarHBondContact O-N 3.48Å; V105-S125 PolarHBondContact N-OG 3.07Å; V105-W128 HydrophobicContact CB-CE3 4.27Å; V105-W128 HydrophobicContact CG1-CE3 3.79Å; V105-W128 HydrophobicContact CG1-CZ3 3.82Å; V105-W128 HydrophobicContact CG2-CD2 4.12Å; V105-W128 HydrophobicContact CG2-CE3 3.79Å; V105-W128 HydrophobicContact CG2-CZ3 4.28Å |
| 106 | L | 91.3 | Very high | 74.3 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 129.6 | 178.4 | -63.1 | -171 | 0 | 0 | 0 | 111.4 | V76 L90 L91 L104 D123 | V76-L106 HydrophobicContact CG2-CB 4.17Å; L90-L106 CarbonylContact C-O 3.47Å; L90-L106 WeakPolarHBondContact CA-O 3.31Å; L91-L106 PolarHBondContact N-O 2.92Å; L91-L106 PolarHBondContact O-N 3.18Å; L104-L106 HydrophobicContact CD1-CD2 3.77Å; L104-L106 HydrophobicContact CD1-CG 4Å; L104-L106 HydrophobicContact CD2-CD1 4.32Å; L104-L106 HydrophobicContact CD2-CG 4.22Å; L104-L106 HydrophobicContact CG-CD2 4.38Å; L104-L106 HydrophobicContact CG-CG 4.06Å; L106-D123 HydrophobicContact CD2-CB 4.11Å |
| 107 | R | 91 | Very high | 73.8 | Confident | 64 Ų | 64 | 67.2 Ų | 67.2 | 24% | 0.242 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 128.3 | -179.2 | 176.6 | 176.5 | 169.7 | 154.8 | -3.2 | 110.5 | R88 L90 T109 L121 Q122 I124 | R88-R107 HydrophobicContact CG-CG 4.39Å; L90-R107 HydrophobicContact CD1-CB 3.77Å; L90-R107 HydrophobicContact CD1-CG 4.31Å; R107-T109 HydrophobicContact CG-CG2 4.15Å; R107-L121 CarbonylContact O-C 3.51Å; R107-L121 WeakPolarHBondContact O-CA 3.32Å; R107-Q122 PolarHBondContact N-O 2.97Å; R107-Q122 PolarHBondContact O-N 3.38Å; R107-I124 HydrophobicContact CB-CD1 4.27Å; R107-I124 HydrophobicContact CB-CG2 4.47Å |
| 108 | A | 92.1 | Very high | 74.1 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 136 | 163 | 0 | 0 | 0 | 0 | 0 | 109.6 | V76 L80 R88 A89 I119 L120 L121 | V76-A108 HydrophobicContact CG1-CB 3.78Å; L80-A108 HydrophobicContact CB-CB 4.13Å; L80-A108 HydrophobicContact CD2-CB 3.64Å; R88-A108 CarbonylContact C-O 3.54Å; R88-A108 VanDerWaalsContact CA-O 3.31Å; R88-A108 WeakPolarHBondContact CA-O 3.33Å; A89-A108 HydrophobicContact CB-CB 4.45Å; A89-A108 PolarHBondContact N-O 2.97Å; A89-A108 PolarHBondContact O-N 3.34Å; A108-I119 HydrophobicContact CB-CG2 4.27Å; A108-L120 CarbonylContact C-O 3.49Å; A108-L120 WeakPolarHBondContact CA-O 3.43Å; A108-L121 HydrophobicContact CB-CD2 3.66Å |
| 109 | T | 88.9 | Confident | 74.8 | Confident | 21 Ų | 21 | 62.9 Ų | 62.9 | 13% | 0.129 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 137.6 | 171.9 | 47.9 | 0 | 0 | 0 | 0 | 112.3 | Q87 R88 R107 L120 | Q87-T109 WeakPolarHBondContact O-CA 3.41Å; R88-T109 HydrophobicContact CB-CG2 3.88Å; R88-T109 HydrophobicContact CG-CG2 3.76Å; R107-T109 HydrophobicContact CG-CG2 4.15Å; T109-L120 PolarHBondContact N-O 3.08Å; T109-L120 PolarHBondContact O-N 3.23Å |
| 110 | R | 85.6 | Confident | 75.6 | Confident | 49 Ų | 49 | 66.4 Ų | 66.4 | 19% | 0.185 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 117.5 | 173.1 | -166.3 | -177.6 | -66.1 | -98.8 | 6.5 | 108.3 | L80 D83 I86 Q87 P112 | L80-R110 HydrophobicContact CD1-CB 4.27Å; L80-R110 HydrophobicContact CD2-CB 4.41Å; L80-R110 PolarHBondContact O-NH2 3.24Å; D83-R110 PolarHBondContact O-NH2 3.22Å; I86-R110 PolarHBondContact O-NE 3.47Å; Q87-R110 PolarHBondContact O-N 2.85Å; R110-P112 WeakPolarHBondContact O-CD 3.44Å |
| 111 | N | 70.6 | Confident | 76.4 | Confident | 62 Ų | 62 | 65.2 Ų | 65.2 | 33% | 0.332 | 34% | 0.344 | S | S | . | . | trans | -73.6 | 118.3 | -175.3 | -176.3 | 2.9 | 0 | 0 | 0 | 111.5 | T113 A118 | N111-T113 PolarHBondContact OD1-N 2.97Å; N111-T113 PolarHBondContact OD1-OG1 3.45Å; N111-A118 HydrophobicContact CB-CB 4.34Å; N111-A118 VanDerWaalsContact CB-O 3.24Å; N111-A118 WeakPolarHBondContact CB-O 3.48Å; N111-A118 PolarHBondContact N-O 2.91Å | ||
| 112 | P | 59.8 | Low | 77.1 | Confident | 86 Ų | 86 | 66.5 Ų | 66.5 | 56% | 0.558 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -14.4 | -174.6 | 31.5 | -35.6 | 0 | 0 | 0 | 114.9 | R110 | R110-P112 WeakPolarHBondContact O-CD 3.44Š|
| 113 | T | 57.4 | Low | 77.5 | Confident | 123 Ų | 123 | 69.5 Ų | 69.5 | 76% | 0.755 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | -3.7 | -171.8 | 57.4 | 0 | 0 | 0 | 0 | 114.9 | N111 | N111-T113 PolarHBondContact OD1-N 2.97Å; N111-T113 PolarHBondContact OD1-OG1 3.45Å |
| 114 | G | 52.9 | Low | 77.6 | Confident | 39 Ų | 39 | 65.9 Ų | 65.9 | 40% | 0.402 | 35% | 0.346 | S | S | . | . | trans | -88.7 | 140.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q116 | G114-Q116 PolarHBondContact O-N 2.88Š| ||
| 115 | K | 48.5 | Very low | 77.5 | Confident | 224 Ų | 224 | 66.4 Ų | 66.4 | 97% | 0.974 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -68.2 | -6.1 | 165.6 | -73.5 | -173.4 | 176.6 | -179 | 0 | 113.6 | ||
| 116 | Q | 55.7 | Low | 77.1 | Confident | 168 Ų | 168 | 75.6 Ų | 75.6 | 79% | 0.785 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -123.5 | 141.2 | 170.7 | -70.1 | 171.8 | -34.5 | 0 | 0 | 107.6 | G114 A118 | G114-Q116 PolarHBondContact O-N 2.88Å; Q116-A118 PolarHBondContact O-N 2.85Å |
| 117 | Q | 62 | Low | 76.4 | Confident | 149 Ų | 149 | 78.7 Ų | 78.7 | 70% | 0.696 | 41% | 0.409 | S | S | * | . | trans | -74.4 | 73.6 | 178.9 | -67.9 | -174.3 | -6.9 | 0 | 0 | 111.1 | I119 | Q117-I119 PolarHBondContact O-N 2.73Š| ||
| 118 | A | 74.7 | Confident | 75.7 | Confident | 51 Ų | 51 | 76.2 Ų | 76.2 | 42% | 0.421 | 40% | 0.4 | S | S | . | . | trans | -71.5 | 126.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | N111 Q116 | N111-A118 HydrophobicContact CB-CB 4.34Å; N111-A118 VanDerWaalsContact CB-O 3.24Å; N111-A118 WeakPolarHBondContact CB-O 3.48Å; N111-A118 PolarHBondContact N-O 2.91Å; Q116-A118 PolarHBondContact O-N 2.85Å | ||
| 119 | I | 84.6 | Confident | 74.6 | Confident | 28 Ų | 28 | 83.4 Ų | 83.4 | 14% | 0.144 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 121.4 | 167.1 | -68.2 | 177.2 | 0 | 0 | 0 | 108 | R77 L80 E81 A108 Q117 L121 | R77-I119 HydrophobicContact CG-CD1 4.25Å; R77-I119 HydrophobicContact CG-CG2 4.47Å; L80-I119 HydrophobicContact CD2-CB 4.35Å; L80-I119 HydrophobicContact CD2-CD1 3.97Å; L80-I119 HydrophobicContact CD2-CG1 3.91Å; L80-I119 HydrophobicContact CD2-CG2 3.65Å; L80-I119 HydrophobicContact CG-CD1 4.31Å; E81-I119 HydrophobicContact CG-CD1 3.45Å; E81-I119 VanDerWaalsContact CG-CD1 3.45Å; E81-I119 VanDerWaalsContact OE1-CD1 3.23Å; E81-I119 WeakPolarHBondContact OE1-CD1 3.41Å; A108-I119 HydrophobicContact CB-CG2 4.27Å; Q117-I119 PolarHBondContact O-N 2.73Å; I119-L121 HydrophobicContact CG2-CG 4.41Å |
| 120 | L | 87.9 | Confident | 73.5 | Confident | 89 Ų | 89 | 87 Ų | 87 | 47% | 0.466 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 114.7 | 173 | 177.5 | 62.5 | 0 | 0 | 0 | 108.6 | A108 T109 Q122 | A108-L120 CarbonylContact C-O 3.49Å; A108-L120 WeakPolarHBondContact CA-O 3.43Å; T109-L120 PolarHBondContact N-O 3.08Å; T109-L120 PolarHBondContact O-N 3.23Å; L120-Q122 HydrophobicContact CD1-CG 4.28Å; L120-Q122 HydrophobicContact CD2-CG 4.24Å; L120-Q122 HydrophobicContact CG-CG 3.86Å |
| 121 | L | 88.6 | Confident | 72.4 | Confident | 58 Ų | 58 | 87.7 Ų | 87.7 | 30% | 0.304 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 138.7 | 169.2 | -72 | 166.1 | 0 | 0 | 0 | 109.4 | H73 R77 R107 A108 I119 | H73-L121 HydrophobicContact CB-CD1 4.46Å; R77-L121 HydrophobicContact CB-CD1 4.5Å; R77-L121 HydrophobicContact CB-CD2 4.32Å; R107-L121 CarbonylContact O-C 3.51Å; R107-L121 WeakPolarHBondContact O-CA 3.32Å; A108-L121 HydrophobicContact CB-CD2 3.66Å; I119-L121 HydrophobicContact CG2-CG 4.41Å |
| 122 | Q | 88.8 | Confident | 71.9 | Confident | 73 Ų | 73 | 87.4 Ų | 87.4 | 34% | 0.341 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 131.1 | 179.1 | -50.4 | -175 | -82.2 | 0 | 0 | 109.9 | R107 L120 I124 | R107-Q122 PolarHBondContact N-O 2.97Å; R107-Q122 PolarHBondContact O-N 3.38Å; L120-Q122 HydrophobicContact CD1-CG 4.28Å; L120-Q122 HydrophobicContact CD2-CG 4.24Å; L120-Q122 HydrophobicContact CG-CG 3.86Å; Q122-I124 HydrophobicContact CB-CG2 4.02Å |
| 123 | D | 88.5 | Confident | 71.6 | Confident | 68 Ų | 68 | 86.1 Ų | 86.1 | 36% | 0.364 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 128.7 | 152.2 | 168.8 | 33.2 | 0 | 0 | 0 | 108 | L106 S125 | L106-D123 HydrophobicContact CD2-CB 4.11Å; D123-S125 VanDerWaalsContact OD1-CB 3.23Å; D123-S125 WeakPolarHBondContact OD1-CB 3.43Å; D123-S125 PolarHBondContact OD1-N 3.45Å; D123-S125 PolarHBondContact OD1-OG 3.3Å |
| 124 | I | 85.8 | Confident | 71.3 | Confident | 17 Ų | 17 | 85.3 Ų | 85.3 | 9% | 0.087 | 45% | 0.452 | C | S | . | . | trans | -123.3 | 12.4 | 173.9 | 67.2 | 172.3 | 0 | 0 | 0 | 112.4 | L90 V105 R107 Q122 K126 T127 W128 L131 | L90-I124 HydrophobicContact CD1-CD1 4.05Å; V105-I124 HydrophobicContact CB-CG1 3.87Å; V105-I124 HydrophobicContact CG1-CD1 3.8Å; V105-I124 HydrophobicContact CG1-CG1 3.48Å; V105-I124 VanDerWaalsContact CG1-CG1 3.48Å; V105-I124 WeakPolarHBondContact O-CG1 3.38Å; V105-I124 PolarHBondContact O-N 3.48Å; R107-I124 HydrophobicContact CB-CD1 4.27Å; R107-I124 HydrophobicContact CB-CG2 4.47Å; Q122-I124 HydrophobicContact CB-CG2 4.02Å; I124-K126 PolarHBondContact O-N 3.09Å; I124-T127 CarbonylContact O-C 3.56Å; I124-T127 PolarHBondContact O-N 3.44Å; I124-T127 VanDerWaalsContact O-N 3.14Å; I124-T127 PolarHBondContact O-OG1 3.2Å; I124-W128 PolarHBondContact O-N 2.99Å; I124-L131 HydrophobicContact CB-CD1 4.12Å; I124-L131 HydrophobicContact CD1-CD1 4.02Å | ||
| 125 | S | 84.1 | Confident | 70.6 | Confident | 25 Ų | 25 | 86.5 Ų | 86.5 | 18% | 0.175 | 45% | 0.454 | C | S | . | . | G | 310 helix | trans | -58 | -48.2 | -178.2 | -41.4 | 0 | 0 | 0 | 0 | 111.1 | L104 V105 D123 T127 W128 | L104-S125 WeakPolarHBondContact CA-OG 3.38Å; V105-S125 PolarHBondContact N-OG 3.07Å; D123-S125 VanDerWaalsContact OD1-CB 3.23Å; D123-S125 WeakPolarHBondContact OD1-CB 3.43Å; D123-S125 PolarHBondContact OD1-N 3.45Å; D123-S125 PolarHBondContact OD1-OG 3.3Å; S125-T127 PolarHBondContact O-N 3.16Å; S125-W128 VanDerWaalsContact O-CB 3.29Å; S125-W128 WeakPolarHBondContact O-CB 3.33Å; S125-W128 PolarHBondContact O-N 3.33Å |
| 126 | K | 81.3 | Confident | 70.7 | Confident | 193 Ų | 193 | 77.7 Ų | 77.7 | 84% | 0.839 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -70.4 | -15.1 | -179.8 | -63.7 | 171.4 | -173.6 | 164.2 | 0 | 114.1 | I124 | I124-K126 PolarHBondContact O-N 3.09Š|
| 127 | T | 76.1 | Confident | 70.5 | Confident | 65 Ų | 65 | 70.7 Ų | 70.7 | 40% | 0.399 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -108.2 | -2.3 | 176.8 | 50.6 | 0 | 0 | 0 | 0 | 112.8 | I124 S125 E129 S130 L131 | I124-T127 CarbonylContact O-C 3.56Å; I124-T127 PolarHBondContact O-N 3.44Å; I124-T127 VanDerWaalsContact O-N 3.14Å; I124-T127 PolarHBondContact O-OG1 3.2Å; S125-T127 PolarHBondContact O-N 3.16Å; T127-E129 PolarHBondContact O-N 2.9Å; T127-S130 PolarHBondContact O-N 3.5Å; T127-S130 PolarHBondContact O-OG 2.86Å; T127-L131 WeakPolarHBondContact O-CG 3.4Å; T127-L131 PolarHBondContact O-N 3.29Å |
| 128 | W | 75.9 | Confident | 70.1 | Confident | 12 Ų | 12 | 66.1 Ų | 66.1 | 5% | 0.045 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.6 | -57.2 | -173.9 | 176.9 | -100.6 | 0 | 0 | 0 | 112.4 | T92 V101 P102 V105 I124 S125 S130 L131 H132 D140 W142 | T92-W128 HydrophobicContact CG2-CH2 4.36Å; T92-W128 HydrophobicContact CG2-CZ3 4.46Å; V101-W128 HydrophobicContact CG1-CG 4.48Å; P102-W128 HydrophobicContact CG-CD2 4.14Å; P102-W128 HydrophobicContact CG-CH2 4.45Å; P102-W128 HydrophobicContact CG-CZ2 3.97Å; V105-W128 HydrophobicContact CB-CE3 4.27Å; V105-W128 HydrophobicContact CG1-CE3 3.79Å; V105-W128 HydrophobicContact CG1-CZ3 3.82Å; V105-W128 HydrophobicContact CG2-CD2 4.12Å; V105-W128 HydrophobicContact CG2-CE3 3.79Å; V105-W128 HydrophobicContact CG2-CZ3 4.28Å; I124-W128 PolarHBondContact O-N 2.99Å; S125-W128 VanDerWaalsContact O-CB 3.29Å; S125-W128 WeakPolarHBondContact O-CB 3.33Å; S125-W128 PolarHBondContact O-N 3.33Å; W128-S130 VanDerWaalsContact C-N 3.26Å; W128-S130 PolarHBondContact O-N 2.93Å; W128-L131 WeakPolarHBondContact O-CB 3.2Å; W128-L131 PolarHBondContact O-N 3.48Å; W128-H132 AromaticContact CD1-CE1 3.76Å; W128-H132 AromaticContact CD2-CE1 3.54Å; W128-H132 AromaticContact CE2-CE1 3.37Å; W128-H132 AromaticContact CE2-NE2 3.75Å; W128-H132 AromaticContact CG-CE1 3.83Å; W128-H132 AromaticContact CZ2-CE1 3.83Å; W128-H132 AromaticContact CZ2-NE2 3.71Å; W128-H132 AromaticContact NE1-CE1 3.47Å; W128-H132 PolarHBondContact NE1-CE1 3.24Å; W128-H132 PolarHBondContact O-CE1 3.01Å; W128-H132 PolarHBondContact O-ND1 3.45Å; W128-D140 HydrophobicContact CZ2-CB 4.05Å; W128-W142 HydrophobicContact CH2-CH2 4.27Å; W128-W142 AromaticContact CH2-CZ2 3.76Å; W128-W142 HydrophobicContact CH2-CZ2 3.76Å; W128-W142 HydrophobicContact CZ3-CZ2 4.35Å |
| 129 | E | 69 | Low | 69.4 | Low | 151 Ų | 151 | 65.6 Ų | 65.6 | 71% | 0.706 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -56.1 | -39.3 | -178.8 | -60 | -171.6 | 155.4 | 0 | 0 | 112.8 | T127 L131 | T127-E129 PolarHBondContact O-N 2.9Å; E129-L131 VanDerWaalsContact C-N 3.26Å; E129-L131 PolarHBondContact O-N 3.2Å |
| 130 | S | 64.9 | Low | 68.4 | Low | 96 Ų | 96 | 65.8 Ų | 65.8 | 67% | 0.671 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -72 | -13.3 | 179.8 | 72.3 | 0 | 0 | 0 | 0 | 114.8 | T127 W128 | T127-S130 PolarHBondContact O-N 3.5Å; T127-S130 PolarHBondContact O-OG 2.86Å; W128-S130 VanDerWaalsContact C-N 3.26Å; W128-S130 PolarHBondContact O-N 2.93Å |
| 131 | L | 62.8 | Low | 67.5 | Low | 65 Ų | 65 | 64.9 Ų | 64.9 | 34% | 0.34 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -89.7 | 6.3 | -177.4 | -70.5 | 167.7 | 0 | 0 | 0 | 114.1 | I124 T127 W128 E129 P133 | I124-L131 HydrophobicContact CB-CD1 4.12Å; I124-L131 HydrophobicContact CD1-CD1 4.02Å; T127-L131 WeakPolarHBondContact O-CG 3.4Å; T127-L131 PolarHBondContact O-N 3.29Å; W128-L131 WeakPolarHBondContact O-CB 3.2Å; W128-L131 PolarHBondContact O-N 3.48Å; E129-L131 VanDerWaalsContact C-N 3.26Å; E129-L131 PolarHBondContact O-N 3.2Å; L131-P133 WeakPolarHBondContact O-CD 3.28Å |
| 132 | H | 61.3 | Low | 66.9 | Low | 55 Ų | 55 | 63.6 Ų | 63.6 | 26% | 0.255 | 36% | 0.358 | S | S | . | . | trans | -109.8 | 71.6 | -175.8 | -60.1 | 97.7 | 0 | 0 | 0 | 114.1 | W128 P138 | W128-H132 AromaticContact CD1-CE1 3.76Å; W128-H132 AromaticContact CD2-CE1 3.54Å; W128-H132 AromaticContact CE2-CE1 3.37Å; W128-H132 AromaticContact CE2-NE2 3.75Å; W128-H132 AromaticContact CG-CE1 3.83Å; W128-H132 AromaticContact CZ2-CE1 3.83Å; W128-H132 AromaticContact CZ2-NE2 3.71Å; W128-H132 AromaticContact NE1-CE1 3.47Å; W128-H132 PolarHBondContact NE1-CE1 3.24Å; W128-H132 PolarHBondContact O-CE1 3.01Å; W128-H132 PolarHBondContact O-ND1 3.45Å; H132-P138 PolarHBondContact CD2-O 2.85Å; H132-P138 VanDerWaalsContact CD2-O 3.26Å | ||
| 133 | P | 53.6 | Low | 66.4 | Low | 60 Ų | 60 | 60.2 Ų | 60.2 | 39% | 0.39 | 34% | 0.342 | S | S | . | . | trans | -69.4 | 156.6 | 163 | 33.6 | -34.1 | 0 | 0 | 0 | 110.3 | L131 S135 | L131-P133 WeakPolarHBondContact O-CD 3.28Å; P133-S135 PolarHBondContact O-N 3.42Å | ||
| 134 | P | 50 | Low | 66 | Low | 105 Ų | 105 | 63 Ų | 63 | 68% | 0.682 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -67.1 | 127 | -176.1 | 26.3 | -34.8 | 0 | 0 | 0 | 113 | ||
| 135 | S | 39.3 | Very low | 65.6 | Low | 65 Ų | 65 | 66.5 Ų | 66.5 | 46% | 0.455 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -6.9 | 145.7 | 175.5 | 63 | 0 | 0 | 0 | 0 | 120.6 | R18 P133 D139 | R18-S135 WeakPolarHBondContact CD-O 3.35Å; R18-S135 VanDerWaalsContact CZ-O 3.28Å; R18-S135 PolarHBondContact NH1-O 3.25Å; P133-S135 PolarHBondContact O-N 3.42Å; S135-D139 WeakPolarHBondContact CA-OD1 3.47Å; S135-D139 WeakPolarHBondContact CA-OD2 3.44Å; S135-D139 WeakPolarHBondContact CB-OD1 3.4Å; S135-D139 WeakPolarHBondContact CB-OD2 3.37Å; S135-D139 PolarHBondContact N-OD1 3.12Å |
| 136 | P | 50.1 | Low | 65.5 | Low | 38 Ų | 38 | 65.8 Ų | 65.8 | 25% | 0.247 | 36% | 0.356 | C | S | . | . | S | Bend | cis | -104.4 | 131.7 | 6.3 | 35.7 | -28.1 | 0 | 0 | 0 | 113.1 | A19 D139 | A19-P136 WeakPolarHBondContact CB-O 3.19Å; P136-D139 WeakPolarHBondContact CA-OD2 3.44Å |
| 137 | A | 51.4 | Low | 65.5 | Low | 21 Ų | 21 | 57.5 Ų | 57.5 | 17% | 0.174 | 32% | 0.32 | C | S | . | . | S | Bend | trans | 69.8 | 135.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | A19 D139 F195 | A19-A137 HydrophobicContact CB-CB 4.2Å; A137-D139 PolarHBondContact N-OD2 3.38Å; A137-F195 HydrophobicContact CB-CD2 4.31Å; A137-F195 HydrophobicContact CB-CE2 4.44Å; A137-F195 HydrophobicContact CB-CG 4.44Å |
| 138 | P | 53.1 | Low | 65.7 | Low | 54 Ų | 54 | 59.4 Ų | 59.4 | 35% | 0.351 | 32% | 0.323 | S | S | . | . | S | Bend | cis | -83.4 | 90.9 | -10.1 | 33.9 | -31.7 | 0 | 0 | 0 | 111.6 | H132 | H132-P138 PolarHBondContact CD2-O 2.85Å; H132-P138 VanDerWaalsContact CD2-O 3.26Å |
| 139 | D | 60.1 | Low | 65.5 | Low | 40 Ų | 40 | 61.8 Ų | 61.8 | 21% | 0.214 | 34% | 0.34 | C | S | . | . | trans | -67.4 | 154.1 | 163.9 | -53.6 | -87.6 | 0 | 0 | 0 | 109.9 | S135 P136 A137 S141 W142 | S135-D139 WeakPolarHBondContact CA-OD1 3.47Å; S135-D139 WeakPolarHBondContact CA-OD2 3.44Å; S135-D139 WeakPolarHBondContact CB-OD1 3.4Å; S135-D139 WeakPolarHBondContact CB-OD2 3.37Å; S135-D139 PolarHBondContact N-OD1 3.12Å; P136-D139 WeakPolarHBondContact CA-OD2 3.44Å; A137-D139 PolarHBondContact N-OD2 3.38Å; D139-S141 PolarHBondContact O-N 2.87Å; D139-W142 PolarHBondContact O-NE1 3.27Å | ||
| 140 | D | 64.7 | Low | 65.4 | Low | 31 Ų | 31 | 60.8 Ų | 60.8 | 17% | 0.166 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | 0.8 | 173.2 | 64.6 | 5.4 | 0 | 0 | 0 | 113.6 | W128 W142 F143 R144 | W128-D140 HydrophobicContact CZ2-CB 4.05Å; D140-W142 PolarHBondContact O-N 3.4Å; D140-W142 VanDerWaalsContact O-N 3.12Å; D140-F143 WeakPolarHBondContact O-CA 3.4Å; D140-F143 WeakPolarHBondContact O-CB 3.43Å; D140-F143 PolarHBondContact O-N 2.67Å; D140-R144 PolarHBondContact O-N 3.04Å; D140-R144 IonicContact OD1-CZ 3.76Å; D140-R144 IonicContact OD1-NE 3.63Å; D140-R144 PolarHBondContact OD1-NE 3.18Å; D140-R144 VanDerWaalsContact OD1-NE 3.16Å; D140-R144 IonicContact OD1-NH2 2.61Å; D140-R144 IonicContact OD2-CZ 3.41Å; D140-R144 IonicContact OD2-NE 3.83Å; D140-R144 PolarHBondContact OD2-NE 3.08Å; D140-R144 IonicContact OD2-NH2 2.66Å; D140-R144 PolarHBondContact OD2-NH2 2.92Å |
| 141 | S | 68.8 | Low | 64.6 | Low | 70 Ų | 70 | 62.5 Ų | 62.5 | 49% | 0.49 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -55.5 | -32.9 | -173.1 | 59.9 | 0 | 0 | 0 | 0 | 114.1 | D139 K145 | D139-S141 PolarHBondContact O-N 2.87Å; S141-K145 WeakPolarHBondContact O-CB 3.25Å; S141-K145 PolarHBondContact O-N 3.32Å |
| 142 | W | 75.9 | Confident | 63.9 | Low | 32 Ų | 32 | 63.3 Ų | 63.3 | 12% | 0.121 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -69.5 | -35.7 | 174.8 | 59.5 | -83.8 | 0 | 0 | 0 | 112.7 | L90 T92 W128 D139 D140 L146 V229 R231 | L90-W142 HydrophobicContact CD2-CH2 3.51Å; L90-W142 HydrophobicContact CD2-CZ2 3.66Å; T92-W142 HydrophobicContact CG2-CH2 3.79Å; T92-W142 HydrophobicContact CG2-CZ3 4.48Å; W128-W142 HydrophobicContact CH2-CH2 4.27Å; W128-W142 AromaticContact CH2-CZ2 3.76Å; W128-W142 HydrophobicContact CH2-CZ2 3.76Å; W128-W142 HydrophobicContact CZ3-CZ2 4.35Å; D139-W142 PolarHBondContact O-NE1 3.27Å; D140-W142 PolarHBondContact O-N 3.4Å; D140-W142 VanDerWaalsContact O-N 3.12Å; W142-L146 WeakPolarHBondContact O-CD1 3.36Å; W142-L146 WeakPolarHBondContact O-CG 3.12Å; W142-L146 PolarHBondContact O-N 3.15Å; W142-V229 HydrophobicContact CE3-CG1 3.91Å; W142-V229 HydrophobicContact CZ3-CB 3.98Å; W142-V229 HydrophobicContact CZ3-CG1 3.64Å; W142-R231 HydrophobicContact CZ3-CB 4.13Å |
| 143 | F | 78.4 | Confident | 63.6 | Low | 2 Ų | 2 | 64.5 Ų | 64.5 | 1% | 0.009 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -73.4 | -49.9 | 175.2 | 176.5 | -96.7 | 0 | 0 | 0 | 109.8 | T92 D94 P102 D140 K145 L146 K147 F226 V229 | T92-F143 HydrophobicContact CG2-CD2 4.22Å; T92-F143 HydrophobicContact CG2-CE2 4.47Å; T92-F143 WeakPolarHBondContact OG1-CD2 3.37Å; D94-F143 HydrophobicContact CB-CZ 4.4Å; P102-F143 HydrophobicContact CB-CE1 4.47Å; P102-F143 HydrophobicContact CB-CE2 4Å; P102-F143 HydrophobicContact CB-CZ 3.8Å; P102-F143 HydrophobicContact CG-CE1 4.42Å; P102-F143 HydrophobicContact CG-CE2 4.39Å; P102-F143 HydrophobicContact CG-CZ 4.18Å; D140-F143 WeakPolarHBondContact O-CA 3.4Å; D140-F143 WeakPolarHBondContact O-CB 3.43Å; D140-F143 PolarHBondContact O-N 2.67Å; F143-K145 VanDerWaalsContact C-N 3.34Å; F143-K145 PolarHBondContact O-N 3.4Å; F143-L146 PolarHBondContact O-N 3.24Å; F143-L146 VanDerWaalsContact O-N 3.09Å; F143-K147 HydrophobicContact CE1-CD 4.21Å; F143-K147 HydrophobicContact CZ-CD 4.25Å; F143-K147 PolarHBondContact O-N 3.05Å; F143-F226 HydrophobicContact CD2-CZ 4.41Å; F143-F226 HydrophobicContact CE2-CE1 4.17Å; F143-F226 AromaticContact CE2-CZ 3.88Å; F143-F226 HydrophobicContact CE2-CZ 3.88Å; F143-F226 HydrophobicContact CZ-CE1 4.19Å; F143-F226 HydrophobicContact CZ-CZ 4.26Å; F143-V229 HydrophobicContact CD2-CB 4.41Å; F143-V229 HydrophobicContact CD2-CG2 4.12Å |
| 144 | R | 79 | Confident | 63.5 | Low | 126 Ų | 126 | 67.2 Ų | 67.2 | 48% | 0.475 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -58 | -43 | 177.7 | -65.4 | -165.5 | -166.4 | -146.6 | 2.4 | 112.4 | D140 L146 K147 F148 | D140-R144 PolarHBondContact O-N 3.04Å; D140-R144 IonicContact OD1-CZ 3.76Å; D140-R144 IonicContact OD1-NE 3.63Å; D140-R144 PolarHBondContact OD1-NE 3.18Å; D140-R144 VanDerWaalsContact OD1-NE 3.16Å; D140-R144 IonicContact OD1-NH2 2.61Å; D140-R144 IonicContact OD2-CZ 3.41Å; D140-R144 IonicContact OD2-NE 3.83Å; D140-R144 PolarHBondContact OD2-NE 3.08Å; D140-R144 IonicContact OD2-NH2 2.66Å; D140-R144 PolarHBondContact OD2-NH2 2.92Å; R144-L146 VanDerWaalsContact C-N 3.28Å; R144-L146 PolarHBondContact O-N 3.06Å; R144-K147 PolarHBondContact O-N 2.97Å; R144-F148 WeakPolarHBondContact O-CA 3.4Å; R144-F148 WeakPolarHBondContact O-CB 3.44Å; R144-F148 PolarHBondContact O-N 3.45Å |
| 145 | K | 78.7 | Confident | 63.8 | Low | 91 Ų | 91 | 66.5 Ų | 66.5 | 40% | 0.396 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.5 | -31.3 | 177.7 | -172.6 | -169.4 | 177.4 | -145.3 | 0 | 113 | S141 F143 | S141-K145 WeakPolarHBondContact O-CB 3.25Å; S141-K145 PolarHBondContact O-N 3.32Å; F143-K145 VanDerWaalsContact C-N 3.34Å; F143-K145 PolarHBondContact O-N 3.4Å |
| 146 | L | 80.7 | Confident | 64.7 | Low | 9 Ų | 9 | 64 Ų | 64 | 5% | 0.047 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -85.5 | -32.1 | 178.9 | -73.8 | 170.6 | 0 | 0 | 0 | 113 | W142 F143 R144 Q189 F226 V229 | W142-L146 WeakPolarHBondContact O-CD1 3.36Å; W142-L146 WeakPolarHBondContact O-CG 3.12Å; W142-L146 PolarHBondContact O-N 3.15Å; F143-L146 PolarHBondContact O-N 3.24Å; F143-L146 VanDerWaalsContact O-N 3.09Å; R144-L146 VanDerWaalsContact C-N 3.28Å; R144-L146 PolarHBondContact O-N 3.06Å; L146-Q189 HydrophobicContact CD2-CG 4.45Å; L146-F226 HydrophobicContact CB-CE2 4.29Å; L146-V229 HydrophobicContact CB-CG2 3.69Å; L146-V229 HydrophobicContact CD1-CB 4.31Å; L146-V229 HydrophobicContact CD1-CG1 3.56Å; L146-V229 HydrophobicContact CD1-CG2 3.67Å; L146-V229 HydrophobicContact CG-CG2 4.33Å |
| 147 | K | 81.2 | Confident | 65.3 | Low | 20 Ų | 20 | 64.6 Ų | 64.6 | 9% | 0.087 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -76.5 | -42.1 | 173 | -171.6 | 169.5 | -172.8 | 177.6 | 0 | 112.5 | D94 D96 P97 A99 F143 R144 P149 F226 | D94-K147 IonicContact OD1-NZ 3.34Å; D94-K147 IonicContact OD2-NZ 2.74Å; D94-K147 PolarHBondContact OD2-NZ 2.98Å; D96-K147 PolarHBondContact O-NZ 3.29Å; P97-K147 WeakPolarHBondContact O-CE 3.22Å; A99-K147 PolarHBondContact O-NZ 2.92Å; F143-K147 HydrophobicContact CE1-CD 4.21Å; F143-K147 HydrophobicContact CZ-CD 4.25Å; F143-K147 PolarHBondContact O-N 3.05Å; R144-K147 PolarHBondContact O-N 2.97Å; K147-P149 VanDerWaalsContact O-CD 3.32Å; K147-P149 WeakPolarHBondContact O-CD 3.31Å; K147-F226 HydrophobicContact CB-CD1 4.15Å; K147-F226 HydrophobicContact CB-CD2 4.46Å; K147-F226 HydrophobicContact CB-CE1 3.71Å; K147-F226 HydrophobicContact CB-CE2 4.04Å; K147-F226 HydrophobicContact CB-CZ 3.63Å; K147-F226 HydrophobicContact CD-CD1 4.07Å; K147-F226 HydrophobicContact CD-CE1 3.74Å; K147-F226 HydrophobicContact CD-CZ 4.48Å; K147-F226 HydrophobicContact CG-CD1 3.71Å; K147-F226 HydrophobicContact CG-CE1 3.61Å; K147-F226 HydrophobicContact CG-CG 4.29Å; K147-F226 HydrophobicContact CG-CZ 4.09Å |
| 148 | F | 80.6 | Confident | 66.5 | Low | 105 Ų | 105 | 65.3 Ų | 65.3 | 46% | 0.461 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -120.6 | 74.7 | -176.3 | -52.1 | -67.7 | 0 | 0 | 0 | 110.4 | R144 | R144-F148 WeakPolarHBondContact O-CA 3.4Å; R144-F148 WeakPolarHBondContact O-CB 3.44Å; R144-F148 PolarHBondContact O-N 3.45Å |
| 149 | P | 71.6 | Confident | 67.7 | Low | 62 Ų | 62 | 65.4 Ų | 65.4 | 40% | 0.403 | 38% | 0.379 | S | S | . | . | trans | -65.4 | 140.6 | 179 | 27.4 | -34.9 | 0 | 0 | 0 | 111.8 | K147 T155 | K147-P149 VanDerWaalsContact O-CD 3.32Å; K147-P149 WeakPolarHBondContact O-CD 3.31Å; P149-T155 HydrophobicContact CG-CG2 4.45Å | ||
| 150 | E | 67.5 | Low | 68.6 | Low | 129 Ų | 129 | 69.1 Ų | 69.1 | 60% | 0.603 | 39% | 0.393 | S | S | * | . | trans | -67 | 138.1 | 178.9 | -63.7 | 177.3 | 132.5 | 0 | 0 | 111.4 | G152 Q153 | E150-G152 PolarHBondContact O-N 3.35Å; E150-Q153 HydrophobicContact CB-CG 4.48Å; E150-Q153 PolarHBondContact O-N 2.85Å; E150-Q153 PolarHBondContact OE2-NE2 2.68Å | ||
| 151 | S | 47.8 | Very low | 69 | Low | 133 Ų | 133 | 74.8 Ų | 74.8 | 93% | 0.93 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 107.4 | -174.6 | 58.1 | 0 | 0 | 0 | 0 | 112.2 | ||
| 152 | G | 49.2 | Very low | 68.9 | Low | 81 Ų | 81 | 75.8 Ų | 75.8 | 84% | 0.835 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 113.7 | -11 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | E150 | E150-G152 PolarHBondContact O-N 3.35Š|
| 153 | Q | 53.8 | Low | 68.3 | Low | 81 Ų | 81 | 76.4 Ų | 76.4 | 38% | 0.379 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -75.8 | 136.5 | 163.4 | -69.4 | 178.9 | 20.2 | 0 | 0 | 109.4 | E150 T155 | E150-Q153 HydrophobicContact CB-CG 4.48Å; E150-Q153 PolarHBondContact O-N 2.85Å; E150-Q153 PolarHBondContact OE2-NE2 2.68Å; Q153-T155 PolarHBondContact O-N 2.92Å |
| 154 | P | 51.9 | Low | 67.4 | Low | 116 Ų | 116 | 84.2 Ų | 84.2 | 75% | 0.753 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 135.8 | 171.4 | 27.7 | -33.2 | 0 | 0 | 0 | 109.2 | ||
| 155 | T | 55 | Low | 66.5 | Low | 91 Ų | 91 | 83 Ų | 83 | 56% | 0.558 | 46% | 0.464 | S | S | * | . | P | Polyproline II helix | trans | -55 | 145.8 | 165 | 40.7 | 0 | 0 | 0 | 0 | 109.4 | P149 Q153 S157 | P149-T155 HydrophobicContact CG-CG2 4.45Å; Q153-T155 PolarHBondContact O-N 2.92Å; T155-S157 PolarHBondContact O-N 3.49Å |
| 156 | A | 58.3 | Low | 65.6 | Low | 11 Ų | 11 | 84.7 Ų | 84.7 | 9% | 0.091 | 48% | 0.478 | C | S | . | . | S | Bend | trans | -50.6 | 136.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | L158 | A156-L158 VanDerWaalsContact C-N 3.3Å; A156-L158 PolarHBondContact O-N 3.41Å |
| 157 | S | 64.1 | Low | 64.6 | Low | 51 Ų | 51 | 86.5 Ų | 86.5 | 36% | 0.357 | 49% | 0.487 | S | S | . | . | trans | -63.3 | 78.5 | -158.1 | 59.3 | 0 | 0 | 0 | 0 | 115.7 | T155 S159 T186 G187 | T155-S157 PolarHBondContact O-N 3.49Å; S157-S159 PolarHBondContact O-N 3.43Å; S157-T186 PolarHBondContact OG-OG1 3.15Å; S157-G187 WeakPolarHBondContact OG-CA 3.23Å; S157-G187 PolarHBondContact OG-N 3.05Å | ||
| 158 | L | 75.5 | Confident | 63.5 | Low | 36 Ų | 36 | 91.4 Ų | 91.4 | 19% | 0.188 | 52% | 0.519 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 102.1 | 172.4 | -71.1 | 174.9 | 0 | 0 | 0 | 109.2 | A156 Y181 T183 Y216 P224 | A156-L158 VanDerWaalsContact C-N 3.3Å; A156-L158 PolarHBondContact O-N 3.41Å; L158-Y181 HydrophobicContact CB-CD1 4.25Å; L158-T183 WeakPolarHBondContact CD2-OG1 3.33Å; L158-Y216 HydrophobicContact CD1-CD1 4.22Å; L158-Y216 HydrophobicContact CD1-CD2 3.75Å; L158-Y216 HydrophobicContact CD1-CE1 4.35Å; L158-Y216 HydrophobicContact CD1-CE2 3.87Å; L158-Y216 HydrophobicContact CD1-CG 3.94Å; L158-Y216 HydrophobicContact CD2-CD2 3.78Å; L158-Y216 HydrophobicContact CD2-CE2 4.09Å; L158-Y216 HydrophobicContact CG-CD2 4.22Å; L158-Y216 HydrophobicContact CG-CE2 4.2Å; L158-P224 HydrophobicContact CD1-CB 4.01Å; L158-P224 HydrophobicContact CD1-CG 4.14Å |
| 159 | S | 79.1 | Confident | 62.4 | Low | 56 Ų | 56 | 92 Ų | 92 | 39% | 0.392 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 123.6 | 168.3 | 60 | 0 | 0 | 0 | 0 | 109.6 | S157 R161 V182 | S157-S159 PolarHBondContact O-N 3.43Å; S159-R161 PolarHBondContact O-N 2.98Å; S159-V182 PolarHBondContact N-O 3.35Å; S159-V182 PolarHBondContact O-N 3.04Å; S159-V182 PolarHBondContact OG-O 3.39Å |
| 160 | K | 78 | Confident | 61.8 | Low | 118 Ų | 118 | 93.2 Ų | 93.2 | 51% | 0.513 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 122 | 165.7 | -168.3 | -175.8 | -177.7 | -159.8 | 0 | 107.8 | D179 Y181 | K160-D179 VanDerWaalsContact CE-CB 3.43Å; K160-D179 WeakPolarHBondContact CE-OD1 3.33Å; K160-D179 VanDerWaalsContact CE-OD2 3.25Å; K160-D179 WeakPolarHBondContact CE-OD2 3.36Å; K160-D179 IonicContact NZ-OD1 2.67Å; K160-D179 PolarHBondContact NZ-OD1 2.83Å; K160-D179 IonicContact NZ-OD2 3.63Å; K160-D179 PolarHBondContact NZ-OD2 3.06Å; K160-Y181 HydrophobicContact CB-CD1 4.32Å; K160-Y181 HydrophobicContact CB-CE1 4.11Å; K160-Y181 HydrophobicContact CG-CE1 4.37Å |
| 161 | R | 73.8 | Confident | 61.1 | Low | 150 Ų | 150 | 95.4 Ų | 95.4 | 57% | 0.566 | 55% | 0.55 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 131.1 | -174.6 | -172.6 | 174.3 | -173.3 | 160.6 | 2.7 | 110.2 | S159 L163 S180 V182 | S159-R161 PolarHBondContact O-N 2.98Å; R161-L163 HydrophobicContact CG-CD2 4.22Å; R161-L163 PolarHBondContact O-N 2.99Å; R161-S180 PolarHBondContact N-O 3.16Å; R161-S180 PolarHBondContact O-N 3.14Å; R161-V182 HydrophobicContact CB-CB 4.39Å; R161-V182 HydrophobicContact CB-CG2 3.97Å |
| 162 | V | 67.1 | Low | 61.5 | Low | 91 Ų | 91 | 91.7 Ų | 91.7 | 55% | 0.552 | 52% | 0.522 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 119.9 | 169.1 | -174.1 | 0 | 0 | 0 | 0 | 108.7 | L164 G178 | V162-L164 HydrophobicContact CG1-CG 4.46Å; V162-G178 CarbonylContact C-O 3.46Å; V162-G178 VanDerWaalsContact CA-O 3.27Å; V162-G178 WeakPolarHBondContact CA-O 3.27Å |
| 163 | L | 63.3 | Low | 61.7 | Low | 46 Ų | 46 | 93.7 Ų | 93.7 | 24% | 0.241 | 52% | 0.52 | C | S | . | . | trans | -100.5 | 117.3 | 173.4 | -59.7 | -177.4 | 0 | 0 | 0 | 109 | M53 R161 G178 | M53-L163 HydrophobicContact CG-CD1 4.28Å; M53-L163 HydrophobicContact SD-CD1 4.11Å; R161-L163 HydrophobicContact CG-CD2 4.22Å; R161-L163 PolarHBondContact O-N 2.99Å; L163-G178 PolarHBondContact N-O 3.17Å | ||
| 164 | L | 59.5 | Low | 61.8 | Low | 165 Ų | 165 | 92.3 Ų | 92.3 | 86% | 0.864 | 51% | 0.513 | S | S | * | . | trans | -99.4 | 90.7 | 177.2 | -75.6 | 143.7 | 0 | 0 | 0 | 108.7 | V162 | V162-L164 HydrophobicContact CG1-CG 4.46Š| ||
| 165 | N | 60.8 | Low | 61.9 | Low | 101 Ų | 101 | 90.7 Ų | 90.7 | 54% | 0.54 | 49% | 0.492 | S | S | . | . | trans | -107.1 | 156.8 | 173.2 | -64.4 | -14.5 | 0 | 0 | 0 | 109.5 | L167 | N165-L167 HydrophobicContact CB-CD1 4.11Å; N165-L167 HydrophobicContact CB-CD2 3.35Å; N165-L167 HydrophobicContact CB-CG 3.72Å; N165-L167 PolarHBondContact O-N 3.21Å | ||
| 166 | D | 58.8 | Low | 61.8 | Low | 127 Ų | 127 | 89.9 Ų | 89.9 | 68% | 0.679 | 50% | 0.502 | S | S | * | . | trans | -83.6 | 106.7 | 165.4 | -171.8 | -13.7 | 0 | 0 | 0 | 108.5 | T168 | D166-T168 WeakPolarHBondContact OD1-CB 3.12Å; D166-T168 WeakPolarHBondContact OD1-CG2 3.2Å; D166-T168 PolarHBondContact OD1-N 3.39Å; D166-T168 PolarHBondContact OD1-OG1 3.36Å | ||
| 167 | L | 59.6 | Low | 61.7 | Low | 47 Ų | 47 | 95.8 Ų | 95.8 | 25% | 0.246 | 53% | 0.528 | C | S | . | . | trans | -112.1 | 16.5 | -170.2 | -54.7 | 178.9 | 0 | 0 | 0 | 112.1 | N165 T169 L170 W175 | N165-L167 HydrophobicContact CB-CD1 4.11Å; N165-L167 HydrophobicContact CB-CD2 3.35Å; N165-L167 HydrophobicContact CB-CG 3.72Å; N165-L167 PolarHBondContact O-N 3.21Å; L167-T169 PolarHBondContact O-N 3.49Å; L167-L170 PolarHBondContact O-N 3.13Å; L167-W175 HydrophobicContact CD1-CB 4.02Å; L167-W175 HydrophobicContact CD1-CD2 4.44Å; L167-W175 HydrophobicContact CD1-CE3 3.81Å; L167-W175 WeakPolarHBondContact CD1-O 3.15Å; L167-W175 HydrophobicContact CD2-CE3 3.41Å; L167-W175 VanDerWaalsContact CD2-CE3 3.41Å; L167-W175 HydrophobicContact CD2-CZ3 3.55Å; L167-W175 HydrophobicContact CG-CE3 4.06Å | ||
| 168 | T | 58.4 | Low | 61.3 | Low | 123 Ų | 123 | 94.8 Ų | 94.8 | 76% | 0.755 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -4.6 | -178.8 | 52.9 | 0 | 0 | 0 | 0 | 114.8 | D166 | D166-T168 WeakPolarHBondContact OD1-CB 3.12Å; D166-T168 WeakPolarHBondContact OD1-CG2 3.2Å; D166-T168 PolarHBondContact OD1-N 3.39Å; D166-T168 PolarHBondContact OD1-OG1 3.36Å |
| 169 | T | 57.4 | Low | 60.7 | Low | 117 Ų | 117 | 96.5 Ų | 96.5 | 72% | 0.718 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.2 | 7.4 | -176.1 | 55.9 | 0 | 0 | 0 | 0 | 114.2 | L167 | L167-T169 PolarHBondContact O-N 3.49Š|
| 170 | L | 58.3 | Low | 60.5 | Low | 88 Ų | 88 | 94.3 Ų | 94.3 | 46% | 0.461 | 52% | 0.519 | S | S | . | . | trans | -129.4 | 107.7 | -174.7 | -73 | 168.6 | 0 | 0 | 0 | 112.2 | L167 T172 W175 | L167-L170 PolarHBondContact O-N 3.13Å; L170-T172 VanDerWaalsContact C-N 3.25Å; L170-T172 PolarHBondContact O-N 3.44Å; L170-W175 HydrophobicContact CB-CE3 4.5Å; L170-W175 HydrophobicContact CD1-CE3 3.79Å; L170-W175 HydrophobicContact CD1-CH2 4.01Å; L170-W175 HydrophobicContact CD1-CZ3 3.32Å | ||
| 171 | D | 54 | Low | 60.7 | Low | 174 Ų | 174 | 91.4 Ų | 91.4 | 93% | 0.93 | 51% | 0.505 | S | S | * | . | trans | -74.4 | 65.8 | 179.9 | -69.8 | -48.9 | 0 | 0 | 0 | 112.9 | ||||
| 172 | T | 55.9 | Low | 61.1 | Low | 55 Ų | 55 | 85.1 Ų | 85.1 | 34% | 0.337 | 48% | 0.484 | S | S | . | . | trans | -128 | 118.4 | 176 | 50.9 | 0 | 0 | 0 | 0 | 111.7 | L170 K174 W175 | L170-T172 VanDerWaalsContact C-N 3.25Å; L170-T172 PolarHBondContact O-N 3.44Å; T172-K174 VanDerWaalsContact C-N 3.29Å; T172-K174 PolarHBondContact O-N 2.77Å; T172-W175 PolarHBondContact O-N 3.43Å; T172-W175 VanDerWaalsContact O-N 3.14Å; T172-W175 WeakPolarHBondContact OG1-CB 3.44Å | ||
| 173 | P | 53.6 | Low | 62 | Low | 123 Ų | 123 | 80.9 Ų | 80.9 | 80% | 0.799 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -67 | -27.7 | -170.7 | 25.8 | -34.7 | 0 | 0 | 0 | 113.6 | W175 | P173-W175 VanDerWaalsContact C-N 3.31Å; P173-W175 PolarHBondContact O-N 3.31Å |
| 174 | K | 55.2 | Low | 63 | Low | 52 Ų | 52 | 82.7 Ų | 82.7 | 23% | 0.226 | 47% | 0.468 | C | S | . | . | G | 310 helix | trans | -68.8 | -26.4 | 177 | -71.8 | -171.8 | 168.1 | -174.8 | 0 | 113.4 | D59 T172 G176 Q177 | D59-K174 WeakPolarHBondContact OD1-CE 3.26Å; D59-K174 IonicContact OD1-NZ 2.65Å; D59-K174 PolarHBondContact OD1-NZ 3.34Å; D59-K174 WeakPolarHBondContact OD2-CE 3.32Å; D59-K174 IonicContact OD2-NZ 3.26Å; T172-K174 VanDerWaalsContact C-N 3.29Å; T172-K174 PolarHBondContact O-N 2.77Å; K174-G176 VanDerWaalsContact C-N 3.28Å; K174-G176 PolarHBondContact O-N 3.48Å; K174-Q177 PolarHBondContact O-N 3.23Å |
| 175 | W | 54.3 | Low | 64.1 | Low | 82 Ų | 82 | 80 Ų | 80 | 31% | 0.311 | 45% | 0.446 | S | S | . | . | G | 310 helix | trans | -74.7 | -17.3 | -174.5 | -78.6 | 43.3 | 0 | 0 | 0 | 113.3 | A57 L167 L170 T172 P173 Q177 | A57-W175 HydrophobicContact CB-CZ2 3.52Å; L167-W175 HydrophobicContact CD1-CB 4.02Å; L167-W175 HydrophobicContact CD1-CD2 4.44Å; L167-W175 HydrophobicContact CD1-CE3 3.81Å; L167-W175 WeakPolarHBondContact CD1-O 3.15Å; L167-W175 HydrophobicContact CD2-CE3 3.41Å; L167-W175 VanDerWaalsContact CD2-CE3 3.41Å; L167-W175 HydrophobicContact CD2-CZ3 3.55Å; L167-W175 HydrophobicContact CG-CE3 4.06Å; L170-W175 HydrophobicContact CB-CE3 4.5Å; L170-W175 HydrophobicContact CD1-CE3 3.79Å; L170-W175 HydrophobicContact CD1-CH2 4.01Å; L170-W175 HydrophobicContact CD1-CZ3 3.32Å; T172-W175 PolarHBondContact O-N 3.43Å; T172-W175 VanDerWaalsContact O-N 3.14Å; T172-W175 WeakPolarHBondContact OG1-CB 3.44Å; P173-W175 VanDerWaalsContact C-N 3.31Å; P173-W175 PolarHBondContact O-N 3.31Å; W175-Q177 PolarHBondContact O-N 2.97Å |
| 176 | G | 52 | Low | 65.1 | Low | 75 Ų | 75 | 80.3 Ų | 80.3 | 77% | 0.773 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | -68.1 | -17.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | K174 | K174-G176 VanDerWaalsContact C-N 3.28Å; K174-G176 PolarHBondContact O-N 3.48Å |
| 177 | Q | 56.7 | Low | 66 | Low | 135 Ų | 135 | 74.5 Ų | 74.5 | 63% | 0.631 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -105.2 | 96.4 | 168.9 | -72.6 | -177.1 | -22.2 | 0 | 0 | 108.5 | K174 W175 D179 | K174-Q177 PolarHBondContact O-N 3.23Å; W175-Q177 PolarHBondContact O-N 2.97Å; Q177-D179 PolarHBondContact O-N 3.36Å |
| 178 | G | 55.4 | Low | 67.4 | Low | 29 Ų | 29 | 73 Ų | 73 | 30% | 0.299 | 42% | 0.415 | S | S | . | . | trans | -68.1 | 24.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | V162 L163 | V162-G178 CarbonylContact C-O 3.46Å; V162-G178 VanDerWaalsContact CA-O 3.27Å; V162-G178 WeakPolarHBondContact CA-O 3.27Å; L163-G178 PolarHBondContact N-O 3.17Å | ||
| 179 | D | 64.2 | Low | 68.7 | Low | 72 Ų | 72 | 69.5 Ų | 69.5 | 39% | 0.385 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 107.4 | -178.2 | -88.2 | -37.3 | 0 | 0 | 0 | 111.4 | K160 Q177 | K160-D179 VanDerWaalsContact CE-CB 3.43Å; K160-D179 WeakPolarHBondContact CE-OD1 3.33Å; K160-D179 VanDerWaalsContact CE-OD2 3.25Å; K160-D179 WeakPolarHBondContact CE-OD2 3.36Å; K160-D179 IonicContact NZ-OD1 2.67Å; K160-D179 PolarHBondContact NZ-OD1 2.83Å; K160-D179 IonicContact NZ-OD2 3.63Å; K160-D179 PolarHBondContact NZ-OD2 3.06Å; Q177-D179 PolarHBondContact O-N 3.36Å |
| 180 | S | 73.4 | Confident | 70.1 | Confident | 11 Ų | 11 | 68.1 Ų | 68.1 | 8% | 0.077 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 150.4 | 177.9 | 175.7 | 0 | 0 | 0 | 0 | 112.2 | Q56 R161 | Q56-S180 PolarHBondContact OE1-OG 2.93Å; R161-S180 PolarHBondContact N-O 3.16Å; R161-S180 PolarHBondContact O-N 3.14Å |
| 181 | Y | 82.2 | Confident | 71.3 | Confident | 57 Ų | 57 | 65.4 Ų | 65.4 | 22% | 0.224 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 117.1 | 173.6 | -70.2 | -88.5 | 0 | 0 | 0 | 110.6 | N52 Q56 L158 K160 L218 P224 | N52-Y181 PolarHBondContact ND2-O 2.72Å; Q56-Y181 PolarHBondContact NE2-O 3.47Å; L158-Y181 HydrophobicContact CB-CD1 4.25Å; K160-Y181 HydrophobicContact CB-CD1 4.32Å; K160-Y181 HydrophobicContact CB-CE1 4.11Å; K160-Y181 HydrophobicContact CG-CE1 4.37Å; Y181-L218 HydrophobicContact CD2-CD2 3.89Å; Y181-L218 HydrophobicContact CE2-CD2 4.15Å; Y181-P224 HydrophobicContact CD2-CB 4.47Å; Y181-P224 HydrophobicContact CE1-CG 4.49Å; Y181-P224 HydrophobicContact CG-CB 4.48Å |
| 182 | V | 83.9 | Confident | 72.6 | Confident | 18 Ų | 18 | 60.6 Ų | 60.6 | 11% | 0.109 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 126.6 | -170 | -179.5 | 0 | 0 | 0 | 0 | 109.9 | N49 S159 R161 | N49-V182 WeakPolarHBondContact OD1-CG1 3.42Å; S159-V182 PolarHBondContact N-O 3.35Å; S159-V182 PolarHBondContact O-N 3.04Å; S159-V182 PolarHBondContact OG-O 3.39Å; R161-V182 HydrophobicContact CB-CB 4.39Å; R161-V182 HydrophobicContact CB-CG2 3.97Å |
| 183 | T | 85.6 | Confident | 74 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.006 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 127.7 | 176.6 | -53.5 | 0 | 0 | 0 | 0 | 110.1 | N49 L158 | N49-T183 PolarHBondContact ND2-O 3.26Å; N49-T183 PolarHBondContact OD1-N 3.1Å; N49-T183 PolarHBondContact OD1-O 3.41Å; L158-T183 WeakPolarHBondContact CD2-OG1 3.33Å |
| 184 | N | 83.9 | Confident | 75.7 | Confident | 85 Ų | 85 | 52.4 Ų | 52.4 | 46% | 0.455 | 29% | 0.291 | S | S | . | . | trans | -89.6 | 167.8 | 172.5 | -166.1 | 9.2 | 0 | 0 | 0 | 111.2 | T186 G187 | N184-T186 PolarHBondContact O-N 3.15Å; N184-T186 VanDerWaalsContact O-N 3.11Å; N184-G187 WeakPolarHBondContact O-CA 3.26Å; N184-G187 PolarHBondContact O-N 3.38Å | ||
| 185 | R | 83.3 | Confident | 77.2 | Confident | 107 Ų | 107 | 50.3 Ų | 50.3 | 40% | 0.404 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -48.6 | -37.7 | 173.7 | -55.6 | 169.5 | -175.4 | -140.9 | -18.7 | 112.5 | D42 G187 V188 | D42-R185 WeakPolarHBondContact OD1-CD 3.18Å; D42-R185 WeakPolarHBondContact OD1-CG 3.28Å; D42-R185 IonicContact OD1-CZ 2.88Å; D42-R185 IonicContact OD1-NE 3.45Å; D42-R185 PolarHBondContact OD1-NE 3.28Å; D42-R185 IonicContact OD1-NH1 3.36Å; D42-R185 PolarHBondContact OD1-NH1 2.91Å; D42-R185 VanDerWaalsContact OD1-NH1 3.14Å; D42-R185 IonicContact OD1-NH2 2.78Å; D42-R185 PolarHBondContact OD1-NH2 2.99Å; D42-R185 VanDerWaalsContact OD1-NH2 3.1Å; D42-R185 IonicContact OD2-CZ 3.3Å; D42-R185 IonicContact OD2-NH1 2.91Å; D42-R185 PolarHBondContact OD2-NH1 3.38Å; D42-R185 IonicContact OD2-NH2 2.71Å; D42-R185 PolarHBondContact OD2-NH2 3.4Å; R185-G187 PolarHBondContact O-N 3.49Å; R185-V188 WeakPolarHBondContact O-CB 3.33Å; R185-V188 WeakPolarHBondContact O-CG2 3.36Å; R185-V188 PolarHBondContact O-N 3.33Å |
| 186 | T | 80.8 | Confident | 78.8 | Confident | 109 Ų | 109 | 46.5 Ų | 46.5 | 67% | 0.669 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -64.2 | -14.1 | 175.5 | 52.9 | 0 | 0 | 0 | 0 | 114.6 | S157 N184 | S157-T186 PolarHBondContact OG-OG1 3.15Å; N184-T186 PolarHBondContact O-N 3.15Å; N184-T186 VanDerWaalsContact O-N 3.11Å |
| 187 | G | 78.7 | Confident | 80.3 | Confident | 4 Ų | 4 | 44 Ų | 44 | 4% | 0.041 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -93.2 | 0.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | S157 N184 R185 T213 | S157-G187 WeakPolarHBondContact OG-CA 3.23Å; S157-G187 PolarHBondContact OG-N 3.05Å; N184-G187 WeakPolarHBondContact O-CA 3.26Å; N184-G187 PolarHBondContact O-N 3.38Å; R185-G187 PolarHBondContact O-N 3.49Å; G187-T213 PolarHBondContact O-OG1 2.85Å |
| 188 | V | 87.9 | Confident | 81.6 | Confident | 16 Ų | 16 | 39 Ų | 39 | 10% | 0.097 | 22% | 0.215 | C | C | . | . | trans | -77.9 | 121.4 | 169.3 | 179.3 | 0 | 0 | 0 | 0 | 108.6 | Q41 L44 A45 R185 L211 | Q41-V188 HydrophobicContact CG-CG1 4.38Å; L44-V188 HydrophobicContact CB-CG2 4.21Å; L44-V188 HydrophobicContact CD1-CG1 3.63Å; A45-V188 HydrophobicContact CB-CG2 4.42Å; R185-V188 WeakPolarHBondContact O-CB 3.33Å; R185-V188 WeakPolarHBondContact O-CG2 3.36Å; R185-V188 PolarHBondContact O-N 3.33Å; V188-L211 HydrophobicContact CG1-CB 4.13Å | ||
| 189 | Q | 86.8 | Confident | 82.8 | Confident | 50 Ų | 50 | 41.7 Ų | 41.7 | 23% | 0.234 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 143.2 | 172.9 | -61.2 | -164.7 | 25.1 | 0 | 0 | 110 | L146 L211 S212 | L146-Q189 HydrophobicContact CD2-CG 4.45Å; Q189-L211 CarbonylContact O-C 3.58Å; Q189-L211 WeakPolarHBondContact O-CA 3.5Å; Q189-S212 PolarHBondContact N-O 2.92Å; Q189-S212 PolarHBondContact O-N 3.39Å |
| 190 | Y | 86.9 | Confident | 83.5 | Confident | 87 Ų | 87 | 45.4 Ų | 45.4 | 34% | 0.341 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 149.1 | 169 | 48.4 | -103.3 | 0 | 0 | 0 | 110.1 | L29 T210 W250 | L29-Y190 HydrophobicContact CB-CE1 4.05Å; L29-Y190 PolarHBondContact N-OH 2.86Å; Y190-T210 WeakPolarHBondContact CA-O 3.41Å; Y190-W250 AromaticContact CD2-CH2 3.72Å; Y190-W250 HydrophobicContact CD2-CH2 3.72Å; Y190-W250 AromaticContact CD2-CZ2 3.36Å; Y190-W250 HydrophobicContact CD2-CZ2 3.36Å; Y190-W250 AromaticContact CE2-CE2 3.98Å; Y190-W250 HydrophobicContact CE2-CH2 4.2Å; Y190-W250 AromaticContact CE2-CZ2 3.43Å; Y190-W250 HydrophobicContact CE2-CZ2 3.43Å; Y190-W250 VanDerWaalsContact CE2-CZ2 3.43Å; Y190-W250 HydrophobicContact CG-CZ2 4.48Å |
| 191 | A | 83.4 | Confident | 83.8 | Confident | 31 Ų | 31 | 46.3 Ų | 46.3 | 26% | 0.256 | 25% | 0.25 | S | C | . | . | trans | -63 | 154.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | A193 L209 T210 W250 | A191-A193 PolarHBondContact O-N 3.12Å; A191-L209 HydrophobicContact CB-CD1 4.45Å; A191-T210 PolarHBondContact N-O 3.33Å; A191-W250 WeakPolarHBondContact O-CH2 3.34Å; A191-W250 VanDerWaalsContact O-CZ2 3.28Å; A191-W250 WeakPolarHBondContact O-CZ2 3.46Å | ||
| 192 | S | 81.1 | Confident | 83.9 | Confident | 74 Ų | 74 | 48.3 Ų | 48.3 | 52% | 0.517 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -71.2 | -8.5 | -175 | 55.8 | 0 | 0 | 0 | 0 | 115 | Q25 | Q25-S192 PolarHBondContact N-O 3.31Š|
| 193 | A | 84.9 | Confident | 84 | Confident | 6 Ų | 6 | 49 Ų | 49 | 5% | 0.05 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -161.1 | 145.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | S21 T22 A191 | S21-A193 VanDerWaalsContact OG-CB 3.3Å; S21-A193 WeakPolarHBondContact OG-CB 3.34Å; T22-A193 WeakPolarHBondContact OG1-CB 3.49Å; A191-A193 PolarHBondContact O-N 3.12Å |
| 194 | P | 89.5 | Confident | 83.8 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | trans | -72.7 | 157.6 | 167.1 | 32 | -34.4 | 0 | 0 | 0 | 111.7 | S21 T22 W207 I208 I236 F251 F272 | S21-P194 PolarHBondContact OG-O 2.99Å; T22-P194 PolarHBondContact N-O 3.49Å; P194-W207 HydrophobicContact CB-CE3 4.21Å; P194-W207 HydrophobicContact CG-CE3 4.45Å; P194-I208 CarbonylContact C-O 3.48Å; P194-I208 VanDerWaalsContact CA-O 3.24Å; P194-I208 WeakPolarHBondContact CA-O 3.45Å; P194-I208 WeakPolarHBondContact CB-O 3.3Å; P194-I236 HydrophobicContact CB-CD1 3.55Å; P194-I236 HydrophobicContact CG-CD1 4.11Å; P194-F251 HydrophobicContact CG-CE2 4.44Å; P194-F251 HydrophobicContact CG-CZ 4.3Å; P194-F272 HydrophobicContact CG-CE1 4.2Å; P194-F272 HydrophobicContact CG-CE2 4.26Å; P194-F272 HydrophobicContact CG-CZ 3.65Å | ||
| 195 | F | 87.1 | Confident | 83.7 | Confident | 7 Ų | 7 | 51.6 Ų | 51.6 | 3% | 0.031 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 165 | -176 | 67.9 | -82.9 | 0 | 0 | 0 | 113.1 | A19 Y20 A137 D197 I208 | A19-F195 HydrophobicContact CB-CD2 4.04Å; Y20-F195 CarbonylContact O-C 3.5Å; Y20-F195 WeakPolarHBondContact O-CA 3.36Å; Y20-F195 WeakPolarHBondContact O-CB 3.25Å; A137-F195 HydrophobicContact CB-CD2 4.31Å; A137-F195 HydrophobicContact CB-CE2 4.44Å; A137-F195 HydrophobicContact CB-CG 4.44Å; F195-D197 HydrophobicContact CE2-CB 4.17Å; F195-I208 WeakPolarHBondContact CD1-O 3.37Å; F195-I208 HydrophobicContact CE1-CB 4.16Å; F195-I208 HydrophobicContact CE1-CG2 3.83Å; F195-I208 HydrophobicContact CE2-CB 4.22Å; F195-I208 HydrophobicContact CE2-CG2 4.27Å; F195-I208 HydrophobicContact CZ-CB 3.99Å; F195-I208 HydrophobicContact CZ-CG2 3.61Å; F195-I208 PolarHBondContact N-O 3.04Å; F195-I208 PolarHBondContact O-N 3.21Å |
| 196 | L | 87.2 | Confident | 83.9 | Confident | 3 Ų | 3 | 46.7 Ų | 46.7 | 2% | 0.016 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 123.4 | 167.1 | -56.4 | 176.2 | 0 | 0 | 0 | 108 | F2 L11 A19 Y20 F203 G206 W207 | F2-L196 HydrophobicContact CD1-CD1 3.99Å; F2-L196 HydrophobicContact CE1-CD1 4.06Å; F2-L196 HydrophobicContact CE1-CD2 3.91Å; L11-L196 HydrophobicContact CD2-CD1 4.13Å; A19-L196 VanDerWaalsContact CA-O 3.3Å; A19-L196 WeakPolarHBondContact CA-O 3.39Å; A19-L196 VanDerWaalsContact CB-O 3.26Å; A19-L196 WeakPolarHBondContact CB-O 3.39Å; Y20-L196 HydrophobicContact CD1-CD1 4.18Å; Y20-L196 HydrophobicContact CD1-CG 4.49Å; Y20-L196 PolarHBondContact N-O 3.14Å; Y20-L196 PolarHBondContact O-N 3Å; L196-F203 HydrophobicContact CB-CD1 4.11Å; L196-G206 VanDerWaalsContact CD2-O 3.29Å; L196-G206 WeakPolarHBondContact CD2-O 3.31Å; L196-W207 HydrophobicContact CD1-CZ2 4.5Å; L196-W207 HydrophobicContact CD2-CD2 3.58Å; L196-W207 HydrophobicContact CD2-CE3 3.8Å; L196-W207 HydrophobicContact CD2-CG 3.9Å; L196-W207 HydrophobicContact CD2-CZ2 4.45Å; L196-W207 HydrophobicContact CD2-CZ3 4.31Å; L196-W207 HydrophobicContact CG-CD2 4.21Å; L196-W207 HydrophobicContact CG-CE3 4.02Å; L196-W207 HydrophobicContact CG-CH2 4.29Å; L196-W207 HydrophobicContact CG-CZ2 4.47Å; L196-W207 HydrophobicContact CG-CZ3 4.05Å |
| 197 | D | 84.1 | Confident | 84.3 | Confident | 22 Ų | 22 | 41.6 Ų | 41.6 | 12% | 0.118 | 23% | 0.227 | C | C | . | . | trans | -71.6 | 152.9 | 179.5 | -145.8 | -29.2 | 0 | 0 | 0 | 111.3 | R88 F195 F203 E204 I208 | R88-D197 IonicContact CZ-OD2 3.58Å; R88-D197 VanDerWaalsContact CZ-OD2 3.24Å; R88-D197 IonicContact NH1-OD2 3.33Å; R88-D197 PolarHBondContact NH1-OD2 3.2Å; R88-D197 IonicContact NH2-OD2 2.68Å; R88-D197 PolarHBondContact NH2-OD2 3.3Å; F195-D197 HydrophobicContact CE2-CB 4.17Å; D197-F203 WeakPolarHBondContact O-CA 3.49Å; D197-E204 PolarHBondContact O-N 2.92Å; D197-I208 HydrophobicContact CB-CD1 4.03Å | ||
| 198 | C | 83.9 | Confident | 84.8 | Confident | 29 Ų | 29 | 41.7 Ų | 41.7 | 20% | 0.196 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 118.7 | -175.8 | 174.2 | 0 | 0 | 0 | 0 | 109.8 | C16 R18 F203 | C16-C198 VanDerWaalsContact C-SG 3.5Å; C16-C198 HydrophobicContact CB-CB 3.92Å; C16-C198 WeakPolarHBondContact CB-SG 3.41Å; C16-C198 VanDerWaalsContact SG-CA 3.51Å; C16-C198 WeakPolarHBondContact SG-CB 3.23Å; C16-C198 CovalentContact SG-SG 2.03Å; C16-C198 PolarHBondContact SG-SG 2.92Å; R18-C198 VanDerWaalsContact O-CB 3.32Å; R18-C198 WeakPolarHBondContact O-CB 3.45Å; C198-F203 HydrophobicContact CB-CD1 4.34Å; C198-F203 HydrophobicContact CB-CE1 4.37Å |
| 199 | K | 79.1 | Confident | 84.9 | Confident | 87 Ų | 87 | 40.9 Ų | 40.9 | 38% | 0.378 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 135.4 | -170.1 | -175.1 | -172.3 | 171.9 | -176 | 0 | 110.3 | G201 Y202 E204 | K199-G201 PolarHBondContact O-N 2.96Å; K199-Y202 PolarHBondContact N-O 2.96Å; K199-Y202 PolarHBondContact O-N 2.9Å; K199-E204 HydrophobicContact CB-CG 4.29Å; K199-E204 HydrophobicContact CD-CG 4.23Å; K199-E204 WeakPolarHBondContact CD-OE1 3.18Å; K199-E204 IonicContact NZ-OE1 3.12Å; K199-E204 PolarHBondContact NZ-OE1 3.41Å |
| 200 | D | 79.9 | Confident | 85.1 | Confident | 149 Ų | 149 | 38.9 Ų | 38.9 | 80% | 0.797 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 25.8 | -179.3 | -50.4 | -37.5 | 0 | 0 | 0 | 113.9 | Y202 | D200-Y202 WeakPolarHBondContact O-CD2 3.28Š|
| 201 | G | 80.4 | Confident | 85.3 | Confident | 30 Ų | 30 | 34.8 Ų | 34.8 | 31% | 0.309 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.4 | 6.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | R15 C16 K199 | R15-G201 CarbonylContact C-O 3.17Å; R15-G201 VanDerWaalsContact CA-O 3.26Å; R15-G201 WeakPolarHBondContact CA-O 3.28Å; C16-G201 PolarHBondContact N-O 3.46Å; C16-G201 VanDerWaalsContact SG-C 3.55Å; K199-G201 PolarHBondContact O-N 2.96Å |
| 202 | Y | 84.1 | Confident | 85.7 | Confident | 99 Ų | 99 | 33.6 Ų | 33.6 | 39% | 0.388 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 153 | 179.6 | -59.8 | -86.9 | 0 | 0 | 0 | 112.1 | R15 C16 K199 D200 | R15-Y202 HydrophobicContact CG-CE1 3.96Å; C16-Y202 PolarHBondContact SG-N 3.32Å; C16-Y202 VanDerWaalsContact SG-N 3.42Å; C16-Y202 PolarHBondContact SG-O 3.06Å; K199-Y202 PolarHBondContact N-O 2.96Å; K199-Y202 PolarHBondContact O-N 2.9Å; D200-Y202 WeakPolarHBondContact O-CD2 3.28Å |
| 203 | F | 84.9 | Confident | 86.1 | Confident | 34 Ų | 34 | 30 Ų | 30 | 15% | 0.149 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 130.3 | 175.5 | -70.2 | -67.3 | 0 | 0 | 0 | 110.9 | L11 A14 C16 L196 D197 C198 | L11-F203 HydrophobicContact CB-CB 4.48Å; L11-F203 HydrophobicContact CD2-CB 4.03Å; L11-F203 HydrophobicContact CD2-CD2 4.44Å; A14-F203 HydrophobicContact CB-CD2 4.28Å; C16-F203 HydrophobicContact CB-CD1 3.89Å; C16-F203 HydrophobicContact CB-CD2 3.9Å; C16-F203 HydrophobicContact CB-CE1 3.53Å; C16-F203 HydrophobicContact CB-CE2 3.56Å; C16-F203 HydrophobicContact CB-CG 4.06Å; C16-F203 HydrophobicContact CB-CZ 3.37Å; L196-F203 HydrophobicContact CB-CD1 4.11Å; D197-F203 WeakPolarHBondContact O-CA 3.49Å; C198-F203 HydrophobicContact CB-CD1 4.34Å; C198-F203 HydrophobicContact CB-CE1 4.37Å |
| 204 | E | 82.8 | Confident | 86.3 | Confident | 57 Ų | 57 | 29.8 Ų | 29.8 | 27% | 0.266 | 16% | 0.16 | S | C | . | . | trans | -72.6 | 143.1 | 172 | -73.7 | -162.8 | 149.8 | 0 | 0 | 110.9 | D197 K199 G206 | D197-E204 PolarHBondContact O-N 2.92Å; K199-E204 HydrophobicContact CB-CG 4.29Å; K199-E204 HydrophobicContact CD-CG 4.23Å; K199-E204 WeakPolarHBondContact CD-OE1 3.18Å; K199-E204 IonicContact NZ-OE1 3.12Å; K199-E204 PolarHBondContact NZ-OE1 3.41Å; E204-G206 PolarHBondContact O-N 3.15Å | ||
| 205 | P | 82 | Confident | 86.3 | Confident | 82 Ų | 82 | 29.8 Ų | 29.8 | 53% | 0.532 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -81.6 | 86 | -174 | 32.5 | -35.8 | 0 | 0 | 0 | 112.7 | P8 L11 | P8-P205 HydrophobicContact CB-CB 3.62Å; P8-P205 HydrophobicContact CB-CG 4.45Å; L11-P205 HydrophobicContact CD1-CB 4.26Å |
| 206 | G | 85.9 | Confident | 86.2 | Confident | 5 Ų | 5 | 30.4 Ų | 30.4 | 5% | 0.052 | 16% | 0.162 | C | C | . | . | S | Bend | trans | 171 | 144.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L196 E204 | L196-G206 VanDerWaalsContact CD2-O 3.29Å; L196-G206 WeakPolarHBondContact CD2-O 3.31Å; E204-G206 PolarHBondContact O-N 3.15Å |
| 207 | W | 89.5 | Confident | 86.1 | Confident | 1 Ų | 1 | 30.3 Ų | 30.3 | 0% | 0.004 | 16% | 0.162 | C | C | . | . | trans | -77.6 | 131.3 | 171.4 | -74.3 | 99.7 | 0 | 0 | 0 | 111 | F2 L3 Y20 T22 P194 L196 N235 I236 Q237 F272 F274 | F2-W207 AromaticContact CE1-NE1 3.74Å; L3-W207 HydrophobicContact CD2-CH2 3.86Å; L3-W207 HydrophobicContact CD2-CZ2 3.51Å; Y20-W207 HydrophobicContact CD1-CH2 4.27Å; Y20-W207 HydrophobicContact CE1-CH2 4.08Å; T22-W207 HydrophobicContact CG2-CH2 3.6Å; T22-W207 HydrophobicContact CG2-CZ3 3.72Å; P194-W207 HydrophobicContact CB-CE3 4.21Å; P194-W207 HydrophobicContact CG-CE3 4.45Å; L196-W207 HydrophobicContact CD1-CZ2 4.5Å; L196-W207 HydrophobicContact CD2-CD2 3.58Å; L196-W207 HydrophobicContact CD2-CE3 3.8Å; L196-W207 HydrophobicContact CD2-CG 3.9Å; L196-W207 HydrophobicContact CD2-CZ2 4.45Å; L196-W207 HydrophobicContact CD2-CZ3 4.31Å; L196-W207 HydrophobicContact CG-CD2 4.21Å; L196-W207 HydrophobicContact CG-CE3 4.02Å; L196-W207 HydrophobicContact CG-CH2 4.29Å; L196-W207 HydrophobicContact CG-CZ2 4.47Å; L196-W207 HydrophobicContact CG-CZ3 4.05Å; W207-N235 PolarHBondContact O-OD1 3.13Å; W207-I236 HydrophobicContact CB-CD1 4.15Å; W207-I236 HydrophobicContact CB-CG1 3.66Å; W207-I236 VanDerWaalsContact O-CG1 3.31Å; W207-I236 WeakPolarHBondContact O-CG1 3.41Å; W207-I236 PolarHBondContact O-N 3.26Å; W207-Q237 VanDerWaalsContact CD1-OE1 3.28Å; W207-F272 HydrophobicContact CB-CB 4.36Å; W207-F272 HydrophobicContact CB-CD1 4.11Å; W207-F272 HydrophobicContact CB-CG 4.28Å; W207-F272 AromaticContact CD1-CD1 3.41Å; W207-F272 VanDerWaalsContact CD1-CD1 3.41Å; W207-F272 VanDerWaalsContact CD1-O 3.27Å; W207-F272 AromaticContact CD2-CD1 3.74Å; W207-F272 HydrophobicContact CD2-CD1 3.74Å; W207-F272 AromaticContact CD2-CE1 3.9Å; W207-F272 HydrophobicContact CD2-CE1 3.9Å; W207-F272 AromaticContact CE2-CD1 3.74Å; W207-F272 AromaticContact CE2-CE1 3.93Å; W207-F272 HydrophobicContact CE3-CE1 4.33Å; W207-F272 HydrophobicContact CG-CB 4.31Å; W207-F272 AromaticContact CG-CD1 3.49Å; W207-F272 HydrophobicContact CG-CD1 3.49Å; W207-F272 VanDerWaalsContact CG-CD1 3.49Å; W207-F272 HydrophobicContact CG-CE1 4.11Å; W207-F272 HydrophobicContact CG-CG 4.1Å; W207-F272 HydrophobicContact CZ2-CE1 4.34Å; W207-F272 AromaticContact NE1-CD1 3.55Å; W207-F272 PolarHBondContact NE1-O 3.45Å; W207-F274 HydrophobicContact CH2-CE2 4.38Å; W207-F274 HydrophobicContact CZ2-CE2 4.07Å | ||
| 208 | I | 89.7 | Confident | 85.8 | Confident | 6 Ų | 6 | 30.5 Ų | 30.5 | 3% | 0.031 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 136.9 | -178.2 | -58.4 | -176.5 | 0 | 0 | 0 | 109.5 | Q87 P194 F195 D197 D233 V234 | Q87-I208 VanDerWaalsContact OE1-CD1 3.27Å; P194-I208 CarbonylContact C-O 3.48Å; P194-I208 VanDerWaalsContact CA-O 3.24Å; P194-I208 WeakPolarHBondContact CA-O 3.45Å; P194-I208 WeakPolarHBondContact CB-O 3.3Å; F195-I208 WeakPolarHBondContact CD1-O 3.37Å; F195-I208 HydrophobicContact CE1-CB 4.16Å; F195-I208 HydrophobicContact CE1-CG2 3.83Å; F195-I208 HydrophobicContact CE2-CB 4.22Å; F195-I208 HydrophobicContact CE2-CG2 4.27Å; F195-I208 HydrophobicContact CZ-CB 3.99Å; F195-I208 HydrophobicContact CZ-CG2 3.61Å; F195-I208 PolarHBondContact N-O 3.04Å; F195-I208 PolarHBondContact O-N 3.21Å; D197-I208 HydrophobicContact CB-CD1 4.03Å; I208-D233 HydrophobicContact CG2-CB 3.67Å; I208-V234 WeakPolarHBondContact CA-O 3.43Å |
| 209 | L | 90.8 | Very high | 85.6 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 135 | 167.7 | 178.3 | 62.2 | 0 | 0 | 0 | 109.8 | L29 L37 A191 L211 D233 V234 I236 W250 | L29-L209 HydrophobicContact CD1-CD2 4.16Å; L37-L209 HydrophobicContact CD1-CD2 3.8Å; A191-L209 HydrophobicContact CB-CD1 4.45Å; L209-L211 HydrophobicContact CD2-CD2 4.23Å; L209-L211 HydrophobicContact CG-CD2 4.37Å; L209-D233 WeakPolarHBondContact O-CA 3.36Å; L209-V234 HydrophobicContact CB-CG2 4.16Å; L209-V234 PolarHBondContact N-O 3.31Å; L209-V234 VanDerWaalsContact O-CG2 3.25Å; L209-V234 WeakPolarHBondContact O-CG2 3.13Å; L209-V234 PolarHBondContact O-N 3.21Å; L209-I236 HydrophobicContact CB-CD1 4.33Å; L209-I236 HydrophobicContact CB-CG2 3.83Å; L209-W250 HydrophobicContact CD1-CH2 3.84Å; L209-W250 HydrophobicContact CD1-CZ3 4.04Å; L209-W250 HydrophobicContact CD2-CZ3 4.34Å |
| 210 | T | 90 | Very high | 85.5 | Confident | 7 Ų | 7 | 35 Ų | 35 | 4% | 0.043 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 131.1 | 171.9 | -64.6 | 0 | 0 | 0 | 0 | 110.5 | Y190 A191 R231 D233 | Y190-T210 WeakPolarHBondContact CA-O 3.41Å; A191-T210 PolarHBondContact N-O 3.33Å; T210-R231 HydrophobicContact CG2-CG 3.9Å; T210-R231 VanDerWaalsContact CG2-NE 3.33Å; T210-R231 PolarHBondContact OG1-NH2 3Å; T210-R231 VanDerWaalsContact OG1-NH2 3.12Å; T210-D233 WeakPolarHBondContact CA-OD1 3.25Å; T210-D233 VanDerWaalsContact CB-OD1 3.31Å; T210-D233 WeakPolarHBondContact CB-OD1 3.4Å; T210-D233 PolarHBondContact OG1-OD1 2.67Å |
| 211 | L | 91.7 | Very high | 85.3 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 137.7 | 167 | -53.8 | 177.6 | 0 | 0 | 0 | 108.4 | A40 Q41 L44 V188 Q189 L209 R231 V232 V234 | A40-L211 HydrophobicContact CB-CD1 4.11Å; Q41-L211 HydrophobicContact CG-CD1 4.1Å; L44-L211 HydrophobicContact CD1-CB 3.5Å; V188-L211 HydrophobicContact CG1-CB 4.13Å; Q189-L211 CarbonylContact O-C 3.58Å; Q189-L211 WeakPolarHBondContact O-CA 3.5Å; L209-L211 HydrophobicContact CD2-CD2 4.23Å; L209-L211 HydrophobicContact CG-CD2 4.37Å; L211-R231 WeakPolarHBondContact O-CA 3.48Å; L211-V232 HydrophobicContact CB-CG2 4.02Å; L211-V232 HydrophobicContact CD1-CG2 4.39Å; L211-V232 PolarHBondContact N-O 2.94Å; L211-V232 PolarHBondContact O-N 3.42Å; L211-V232 VanDerWaalsContact O-O 3.06Å; L211-V234 HydrophobicContact CD1-CG1 4.43Å; L211-V234 HydrophobicContact CD1-CG2 4.09Å; L211-V234 HydrophobicContact CG-CG2 4.18Å |
| 212 | S | 90.6 | Very high | 85 | Confident | 6 Ų | 6 | 35.1 Ų | 35.1 | 4% | 0.042 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 152.5 | 179.5 | 59.6 | 0 | 0 | 0 | 0 | 113.2 | Q189 V230 | Q189-S212 PolarHBondContact N-O 2.92Å; Q189-S212 PolarHBondContact O-N 3.39Å; S212-V230 CarbonylContact C-O 3.59Å; S212-V230 VanDerWaalsContact CA-O 3.31Å; S212-V230 WeakPolarHBondContact CA-O 3.42Å |
| 213 | T | 91.2 | Very high | 84.8 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 145.5 | 175.7 | -162.9 | 0 | 0 | 0 | 0 | 111 | L44 A48 G187 V229 V230 | L44-T213 HydrophobicContact CB-CG2 4.19Å; A48-T213 HydrophobicContact CB-CG2 3.65Å; G187-T213 PolarHBondContact O-OG1 2.85Å; T213-V229 WeakPolarHBondContact O-CA 3.42Å; T213-V229 WeakPolarHBondContact O-CG1 2.66Å; T213-V230 PolarHBondContact N-O 3.27Å; T213-V230 PolarHBondContact O-N 3.35Å |
| 214 | S | 89.1 | Confident | 84.7 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 151.1 | -178.3 | 38.4 | 0 | 0 | 0 | 0 | 112.2 | Y216 G228 | S214-Y216 WeakPolarHBondContact CB-OH 3.15Å; S214-Y216 VanDerWaalsContact OG-CE2 3.27Å; S214-Y216 WeakPolarHBondContact OG-CE2 3.36Å; S214-Y216 PolarHBondContact OG-OH 3.35Å; S214-G228 WeakPolarHBondContact CA-O 3.5Å |
| 215 | F | 88.4 | Confident | 84.7 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 0% | 0.004 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 154 | 172.1 | 65.8 | -89.5 | 0 | 0 | 0 | 111.1 | A48 L51 N52 F55 L91 T92 F93 R227 G228 V230 | A48-F215 HydrophobicContact CB-CB 4.37Å; L51-F215 HydrophobicContact CB-CB 4.02Å; L51-F215 HydrophobicContact CB-CD1 4.48Å; L51-F215 HydrophobicContact CB-CD2 3.82Å; L51-F215 HydrophobicContact CB-CE2 4.42Å; L51-F215 HydrophobicContact CB-CG 3.85Å; L51-F215 HydrophobicContact CD1-CD1 3.74Å; L51-F215 HydrophobicContact CD1-CD2 4.26Å; L51-F215 HydrophobicContact CD1-CE1 3.81Å; L51-F215 HydrophobicContact CD1-CE2 4.34Å; L51-F215 HydrophobicContact CD1-CG 3.96Å; L51-F215 HydrophobicContact CD1-CZ 4.12Å; N52-F215 WeakPolarHBondContact OD1-CA 2.72Å; N52-F215 VanDerWaalsContact OD1-CB 3.31Å; N52-F215 WeakPolarHBondContact OD1-CB 2.71Å; F55-F215 AromaticContact CD2-CD2 3.84Å; F55-F215 HydrophobicContact CD2-CD2 3.84Å; F55-F215 AromaticContact CD2-CE2 3.77Å; F55-F215 HydrophobicContact CD2-CE2 3.77Å; F55-F215 HydrophobicContact CE2-CD2 4.04Å; F55-F215 AromaticContact CE2-CE2 3.53Å; F55-F215 HydrophobicContact CE2-CE2 3.53Å; F55-F215 HydrophobicContact CE2-CZ 4.46Å; L91-F215 HydrophobicContact CD1-CE1 3.57Å; L91-F215 HydrophobicContact CD1-CZ 4.02Å; T92-F215 WeakPolarHBondContact O-CE1 3.31Å; F93-F215 HydrophobicContact CB-CZ 4.39Å; F93-F215 AromaticContact CD2-CE2 3.95Å; F93-F215 HydrophobicContact CD2-CE2 3.95Å; F93-F215 AromaticContact CD2-CZ 3.98Å; F93-F215 HydrophobicContact CD2-CZ 3.98Å; F215-R227 HydrophobicContact CD2-CB 4.11Å; F215-R227 HydrophobicContact CE2-CB 3.78Å; F215-R227 WeakPolarHBondContact CE2-O 3.1Å; F215-R227 WeakPolarHBondContact CZ-O 3.21Å; F215-R227 PolarHBondContact O-N 3.48Å; F215-G228 WeakPolarHBondContact CD1-O 3.29Å; F215-G228 PolarHBondContact N-O 3.35Å; F215-V230 HydrophobicContact CD1-CG2 3.83Å; F215-V230 HydrophobicContact CE1-CG2 4.26Å |
| 216 | Y | 85.9 | Confident | 84.9 | Confident | 19 Ų | 19 | 29.7 Ų | 29.7 | 8% | 0.075 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 131.4 | -162.9 | -59.9 | -99 | 0 | 0 | 0 | 112 | N52 Q56 L158 S214 P224 E225 F226 | N52-Y216 PolarHBondContact OD1-N 2.98Å; Q56-Y216 WeakPolarHBondContact CG-O 3.44Å; Q56-Y216 PolarHBondContact NE2-O 3.33Å; L158-Y216 HydrophobicContact CD1-CD1 4.22Å; L158-Y216 HydrophobicContact CD1-CD2 3.75Å; L158-Y216 HydrophobicContact CD1-CE1 4.35Å; L158-Y216 HydrophobicContact CD1-CE2 3.87Å; L158-Y216 HydrophobicContact CD1-CG 3.94Å; L158-Y216 HydrophobicContact CD2-CD2 3.78Å; L158-Y216 HydrophobicContact CD2-CE2 4.09Å; L158-Y216 HydrophobicContact CG-CD2 4.22Å; L158-Y216 HydrophobicContact CG-CE2 4.2Å; S214-Y216 WeakPolarHBondContact CB-OH 3.15Å; S214-Y216 VanDerWaalsContact OG-CE2 3.27Å; S214-Y216 WeakPolarHBondContact OG-CE2 3.36Å; S214-Y216 PolarHBondContact OG-OH 3.35Å; Y216-P224 HydrophobicContact CD1-CB 4.26Å; Y216-P224 HydrophobicContact CG-CB 4.4Å; Y216-E225 CarbonylContact C-O 3.59Å; Y216-E225 WeakPolarHBondContact CA-O 3.28Å; Y216-E225 WeakPolarHBondContact CB-O 3.47Å; Y216-F226 HydrophobicContact CD1-CB 4.25Å; Y216-F226 HydrophobicContact CE1-CB 4.04Å; Y216-F226 HydrophobicContact CE1-CD2 4.46Å |
| 217 | G | 83.4 | Confident | 84.9 | Confident | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | -171.2 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | F55 P224 E225 | F55-G217 WeakPolarHBondContact O-CA 3.44Å; G217-P224 WeakPolarHBondContact O-CA 3.4Å; G217-E225 PolarHBondContact N-O 3.32Å; G217-E225 PolarHBondContact O-N 2.75Å |
| 218 | L | 79.3 | Confident | 84.8 | Confident | 26 Ų | 26 | 30.1 Ų | 30.1 | 14% | 0.136 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 136.9 | 172.4 | -60.9 | -175.3 | 0 | 0 | 0 | 112 | Q56 Y181 L222 | Q56-L218 HydrophobicContact CB-CD1 4.18Å; Q56-L218 HydrophobicContact CB-CD2 4.44Å; Q56-L218 HydrophobicContact CB-CG 3.82Å; Q56-L218 HydrophobicContact CG-CD2 3.94Å; Q56-L218 HydrophobicContact CG-CG 3.79Å; Y181-L218 HydrophobicContact CD2-CD2 3.89Å; Y181-L218 HydrophobicContact CE2-CD2 4.15Å; L218-L222 HydrophobicContact CD1-CD2 3.96Å |
| 219 | K | 78.9 | Confident | 84.8 | Confident | 78 Ų | 78 | 29.8 Ų | 29.8 | 34% | 0.339 | 16% | 0.163 | S | C | . | . | trans | -69.1 | 168 | 162.8 | -62.8 | -164.7 | -171.7 | -171.8 | 0 | 111.5 | D221 L222 T223 E225 | K219-D221 VanDerWaalsContact CB-OD1 3.23Å; K219-D221 WeakPolarHBondContact CB-OD1 3.11Å; K219-D221 PolarHBondContact O-N 3.49Å; K219-D221 VanDerWaalsContact O-N 3.12Å; K219-L222 PolarHBondContact O-N 3.38Å; K219-T223 PolarHBondContact N-O 3.4Å; K219-E225 WeakPolarHBondContact CE-OE1 3.34Å; K219-E225 HydrophobicContact CG-CB 3.85Å; K219-E225 HydrophobicContact CG-CG 4.4Å; K219-E225 IonicContact NZ-OE1 3.85Å | ||
| 220 | P | 76.3 | Confident | 84.9 | Confident | 133 Ų | 133 | 29.9 Ų | 29.9 | 86% | 0.864 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -21.3 | 170.9 | -27 | 36.4 | 0 | 0 | 0 | 115.2 | L222 | P220-L222 VanDerWaalsContact C-N 3.33Š|
| 221 | D | 75.5 | Confident | 85 | Confident | 105 Ų | 105 | 30 Ų | 30 | 56% | 0.561 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | 8.8 | 175.3 | 67.5 | 8.1 | 0 | 0 | 0 | 114 | K219 T223 | K219-D221 VanDerWaalsContact CB-OD1 3.23Å; K219-D221 WeakPolarHBondContact CB-OD1 3.11Å; K219-D221 PolarHBondContact O-N 3.49Å; K219-D221 VanDerWaalsContact O-N 3.12Å; D221-T223 PolarHBondContact O-N 3.47Å; D221-T223 VanDerWaalsContact OD1-CB 3.27Å; D221-T223 WeakPolarHBondContact OD1-CB 3.39Å; D221-T223 WeakPolarHBondContact OD1-CG2 3.2Å; D221-T223 PolarHBondContact OD1-N 3.07Å; D221-T223 PolarHBondContact OD1-OG1 3.07Å; D221-T223 PolarHBondContact OD2-OG1 3.09Å |
| 222 | L | 74.8 | Confident | 85 | Confident | 76 Ų | 76 | 30 Ų | 30 | 40% | 0.398 | 16% | 0.163 | S | C | . | . | S | Bend | trans | 63.2 | 13.3 | -175.4 | -51.3 | 176.6 | 0 | 0 | 0 | 115.2 | L218 K219 P220 | L218-L222 HydrophobicContact CD1-CD2 3.96Å; K219-L222 PolarHBondContact O-N 3.38Å; P220-L222 VanDerWaalsContact C-N 3.33Å |
| 223 | T | 80.8 | Confident | 85.1 | Confident | 58 Ų | 58 | 29.8 Ų | 29.8 | 36% | 0.356 | 16% | 0.162 | S | C | . | . | trans | -78.7 | 146.8 | 169.8 | 65.1 | 0 | 0 | 0 | 0 | 111.7 | K219 D221 | K219-T223 PolarHBondContact N-O 3.4Å; D221-T223 PolarHBondContact O-N 3.47Å; D221-T223 VanDerWaalsContact OD1-CB 3.27Å; D221-T223 WeakPolarHBondContact OD1-CB 3.39Å; D221-T223 WeakPolarHBondContact OD1-CG2 3.2Å; D221-T223 PolarHBondContact OD1-N 3.07Å; D221-T223 PolarHBondContact OD1-OG1 3.07Å; D221-T223 PolarHBondContact OD2-OG1 3.09Å | ||
| 224 | P | 82.1 | Confident | 85.1 | Confident | 45 Ų | 45 | 29.8 Ų | 29.8 | 29% | 0.292 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 130.8 | -179.5 | 27.7 | -34.1 | 0 | 0 | 0 | 111.8 | L158 Y181 Y216 G217 | L158-P224 HydrophobicContact CD1-CB 4.01Å; L158-P224 HydrophobicContact CD1-CG 4.14Å; Y181-P224 HydrophobicContact CD2-CB 4.47Å; Y181-P224 HydrophobicContact CE1-CG 4.49Å; Y181-P224 HydrophobicContact CG-CB 4.48Å; Y216-P224 HydrophobicContact CD1-CB 4.26Å; Y216-P224 HydrophobicContact CG-CB 4.4Å; G217-P224 WeakPolarHBondContact O-CA 3.4Å |
| 225 | E | 83.5 | Confident | 85.2 | Confident | 30 Ų | 30 | 31.3 Ų | 31.3 | 14% | 0.14 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 129.2 | 178.2 | -175.1 | 158.6 | -118.2 | 0 | 0 | 110.7 | Y216 G217 K219 R227 | Y216-E225 CarbonylContact C-O 3.59Å; Y216-E225 WeakPolarHBondContact CA-O 3.28Å; Y216-E225 WeakPolarHBondContact CB-O 3.47Å; G217-E225 PolarHBondContact N-O 3.32Å; G217-E225 PolarHBondContact O-N 2.75Å; K219-E225 WeakPolarHBondContact CE-OE1 3.34Å; K219-E225 HydrophobicContact CG-CB 3.85Å; K219-E225 HydrophobicContact CG-CG 4.4Å; K219-E225 IonicContact NZ-OE1 3.85Å; E225-R227 PolarHBondContact O-N 3.46Å; E225-R227 IonicContact OE2-CZ 2.71Å; E225-R227 VanDerWaalsContact OE2-CZ 3.26Å; E225-R227 IonicContact OE2-NE 2.68Å; E225-R227 PolarHBondContact OE2-NE 2.9Å; E225-R227 IonicContact OE2-NH2 3.17Å; E225-R227 PolarHBondContact OE2-NH2 2.89Å |
| 226 | F | 85.6 | Confident | 85.4 | Confident | 26 Ų | 26 | 31.3 Ų | 31.3 | 11% | 0.114 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 126.7 | 177.9 | 172.8 | -83 | 0 | 0 | 0 | 110.2 | F143 L146 K147 Y216 G228 V229 | F143-F226 HydrophobicContact CD2-CZ 4.41Å; F143-F226 HydrophobicContact CE2-CE1 4.17Å; F143-F226 AromaticContact CE2-CZ 3.88Å; F143-F226 HydrophobicContact CE2-CZ 3.88Å; F143-F226 HydrophobicContact CZ-CE1 4.19Å; F143-F226 HydrophobicContact CZ-CZ 4.26Å; L146-F226 HydrophobicContact CB-CE2 4.29Å; K147-F226 HydrophobicContact CB-CD1 4.15Å; K147-F226 HydrophobicContact CB-CD2 4.46Å; K147-F226 HydrophobicContact CB-CE1 3.71Å; K147-F226 HydrophobicContact CB-CE2 4.04Å; K147-F226 HydrophobicContact CB-CZ 3.63Å; K147-F226 HydrophobicContact CD-CD1 4.07Å; K147-F226 HydrophobicContact CD-CE1 3.74Å; K147-F226 HydrophobicContact CD-CZ 4.48Å; K147-F226 HydrophobicContact CG-CD1 3.71Å; K147-F226 HydrophobicContact CG-CE1 3.61Å; K147-F226 HydrophobicContact CG-CG 4.29Å; K147-F226 HydrophobicContact CG-CZ 4.09Å; Y216-F226 HydrophobicContact CD1-CB 4.25Å; Y216-F226 HydrophobicContact CE1-CB 4.04Å; Y216-F226 HydrophobicContact CE1-CD2 4.46Å; F226-G228 WeakPolarHBondContact CE2-O 3.25Å; F226-V229 HydrophobicContact CE2-CG2 3.68Å; F226-V229 HydrophobicContact CZ-CG2 3.79Å |
| 227 | R | 86.4 | Confident | 85.6 | Confident | 14 Ų | 14 | 31.5 Ų | 31.5 | 5% | 0.053 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | -0.4 | 176.2 | -61.1 | -58.7 | -179.2 | 136.3 | 14.7 | 114.1 | E62 F93 D94 A95 F215 E225 | E62-R227 IonicContact OE1-CZ 3.57Å; E62-R227 IonicContact OE1-NH1 3.32Å; E62-R227 PolarHBondContact OE1-NH1 3.11Å; E62-R227 IonicContact OE1-NH2 3.79Å; E62-R227 PolarHBondContact OE1-NH2 3.42Å; E62-R227 IonicContact OE2-CZ 2.74Å; E62-R227 IonicContact OE2-NH1 3.21Å; E62-R227 PolarHBondContact OE2-NH1 3.1Å; E62-R227 IonicContact OE2-NH2 2.75Å; F93-R227 WeakPolarHBondContact CA-O 3.26Å; F93-R227 VanDerWaalsContact CD2-O 3.29Å; F93-R227 WeakPolarHBondContact CD2-O 3.45Å; F93-R227 HydrophobicContact CE2-CB 4.11Å; D94-R227 PolarHBondContact N-O 3.32Å; D94-R227 WeakPolarHBondContact O-CA 3.21Å; A95-R227 PolarHBondContact O-NH1 3.04Å; A95-R227 VanDerWaalsContact O-NH1 3.09Å; F215-R227 HydrophobicContact CD2-CB 4.11Å; F215-R227 HydrophobicContact CE2-CB 3.78Å; F215-R227 WeakPolarHBondContact CE2-O 3.1Å; F215-R227 WeakPolarHBondContact CZ-O 3.21Å; F215-R227 PolarHBondContact O-N 3.48Å; E225-R227 PolarHBondContact O-N 3.46Å; E225-R227 IonicContact OE2-CZ 2.71Å; E225-R227 VanDerWaalsContact OE2-CZ 3.26Å; E225-R227 IonicContact OE2-NE 2.68Å; E225-R227 PolarHBondContact OE2-NE 2.9Å; E225-R227 IonicContact OE2-NH2 3.17Å; E225-R227 PolarHBondContact OE2-NH2 2.89Å |
| 228 | G | 87.8 | Confident | 85.8 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 152.7 | -171.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115 | T92 S214 F215 F226 | T92-G228 VanDerWaalsContact O-CA 3.28Å; T92-G228 WeakPolarHBondContact O-CA 3.47Å; S214-G228 WeakPolarHBondContact CA-O 3.5Å; F215-G228 WeakPolarHBondContact CD1-O 3.29Å; F215-G228 PolarHBondContact N-O 3.35Å; F226-G228 WeakPolarHBondContact CE2-O 3.25Å |
| 229 | V | 89.4 | Confident | 86.3 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 133.8 | -179.9 | 178.2 | 0 | 0 | 0 | 0 | 110.6 | T92 W142 F143 L146 T213 F226 | T92-V229 PolarHBondContact N-O 3.02Å; T92-V229 PolarHBondContact O-N 2.92Å; T92-V229 VanDerWaalsContact O-N 3.09Å; T92-V229 WeakPolarHBondContact OG1-CB 3.43Å; T92-V229 PolarHBondContact OG1-N 3.26Å; T92-V229 VanDerWaalsContact OG1-N 3.15Å; T92-V229 PolarHBondContact OG1-O 3.11Å; W142-V229 HydrophobicContact CE3-CG1 3.91Å; W142-V229 HydrophobicContact CZ3-CB 3.98Å; W142-V229 HydrophobicContact CZ3-CG1 3.64Å; F143-V229 HydrophobicContact CD2-CB 4.41Å; F143-V229 HydrophobicContact CD2-CG2 4.12Å; L146-V229 HydrophobicContact CB-CG2 3.69Å; L146-V229 HydrophobicContact CD1-CB 4.31Å; L146-V229 HydrophobicContact CD1-CG1 3.56Å; L146-V229 HydrophobicContact CD1-CG2 3.67Å; L146-V229 HydrophobicContact CG-CG2 4.33Å; T213-V229 WeakPolarHBondContact O-CA 3.42Å; T213-V229 WeakPolarHBondContact O-CG1 2.66Å; F226-V229 HydrophobicContact CE2-CG2 3.68Å; F226-V229 HydrophobicContact CZ-CG2 3.79Å |
| 230 | V | 91.9 | Very high | 86.9 | Confident | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 131.9 | 165.1 | -164.5 | 0 | 0 | 0 | 0 | 108.4 | L44 T47 A48 L51 L79 L91 S212 T213 F215 | L44-V230 HydrophobicContact CD2-CB 3.99Å; L44-V230 HydrophobicContact CD2-CG1 3.62Å; T47-V230 HydrophobicContact CG2-CG1 4Å; T47-V230 HydrophobicContact CG2-CG2 4.24Å; A48-V230 HydrophobicContact CB-CG2 4.44Å; L51-V230 HydrophobicContact CD1-CG2 3.81Å; L79-V230 HydrophobicContact CD2-CG1 3.3Å; L91-V230 HydrophobicContact CD1-CG2 4.14Å; S212-V230 CarbonylContact C-O 3.59Å; S212-V230 VanDerWaalsContact CA-O 3.31Å; S212-V230 WeakPolarHBondContact CA-O 3.42Å; T213-V230 PolarHBondContact N-O 3.27Å; T213-V230 PolarHBondContact O-N 3.35Å; F215-V230 HydrophobicContact CD1-CG2 3.83Å; F215-V230 HydrophobicContact CE1-CG2 4.26Å |
| 231 | R | 91.6 | Very high | 87.4 | Confident | 11 Ų | 11 | 29.2 Ų | 29.2 | 4% | 0.042 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 141.2 | 179.3 | 163.4 | 175.8 | 171.2 | 173.8 | -3.5 | 110.5 | L90 W142 T210 L211 D233 | L90-R231 HydrophobicContact CB-CB 4.21Å; L90-R231 HydrophobicContact CB-CG 4.43Å; L90-R231 PolarHBondContact N-O 3.33Å; L90-R231 PolarHBondContact O-N 3.49Å; W142-R231 HydrophobicContact CZ3-CB 4.13Å; T210-R231 HydrophobicContact CG2-CG 3.9Å; T210-R231 VanDerWaalsContact CG2-NE 3.33Å; T210-R231 PolarHBondContact OG1-NH2 3Å; T210-R231 VanDerWaalsContact OG1-NH2 3.12Å; L211-R231 WeakPolarHBondContact O-CA 3.48Å; R231-D233 IonicContact CZ-OD1 3.93Å; R231-D233 VanDerWaalsContact CZ-OD1 3.3Å; R231-D233 IonicContact CZ-OD2 2.76Å; R231-D233 IonicContact NE-OD1 3.16Å; R231-D233 PolarHBondContact NE-OD1 3.22Å; R231-D233 IonicContact NE-OD2 3.16Å; R231-D233 VanDerWaalsContact NH2-CG 3.28Å; R231-D233 IonicContact NH2-OD1 3.96Å; R231-D233 PolarHBondContact NH2-OD1 3.33Å; R231-D233 IonicContact NH2-OD2 3.69Å; R231-D233 PolarHBondContact NH2-OD2 3.12Å |
| 232 | V | 93 | Very high | 88 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 145.4 | 163.7 | -60.8 | 0 | 0 | 0 | 0 | 110.3 | A40 L44 L79 I86 R88 A89 L211 V234 | A40-V232 HydrophobicContact CB-CG2 4.49Å; L44-V232 HydrophobicContact CD1-CG2 3.85Å; L44-V232 HydrophobicContact CD2-CG1 3.96Å; L44-V232 HydrophobicContact CD2-CG2 4.22Å; L44-V232 HydrophobicContact CG-CG1 4.3Å; L44-V232 HydrophobicContact CG-CG2 3.84Å; L79-V232 HydrophobicContact CD1-CG1 3.79Å; L79-V232 HydrophobicContact CD2-CG1 3.73Å; L79-V232 HydrophobicContact CG-CG1 3.63Å; I86-V232 HydrophobicContact CD1-CB 4.38Å; I86-V232 HydrophobicContact CD1-CG1 4.12Å; I86-V232 HydrophobicContact CD1-CG2 4.45Å; I86-V232 HydrophobicContact CG1-CB 4.24Å; I86-V232 HydrophobicContact CG1-CG1 4.48Å; I86-V232 HydrophobicContact CG1-CG2 4.34Å; I86-V232 HydrophobicContact CG2-CB 3.9Å; I86-V232 HydrophobicContact CG2-CG1 4.04Å; R88-V232 CarbonylContact O-C 3.59Å; R88-V232 WeakPolarHBondContact O-CA 3.31Å; A89-V232 HydrophobicContact CB-CG1 4.19Å; L211-V232 HydrophobicContact CB-CG2 4.02Å; L211-V232 HydrophobicContact CD1-CG2 4.39Å; L211-V232 PolarHBondContact N-O 2.94Å; L211-V232 PolarHBondContact O-N 3.42Å; L211-V232 VanDerWaalsContact O-O 3.06Å; V232-V234 HydrophobicContact CG2-CG1 4.22Å |
| 233 | D | 91.6 | Very high | 88.7 | Confident | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.011 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 118.3 | 170.9 | -67.3 | -25 | 0 | 0 | 0 | 108.2 | Q87 R88 I208 L209 T210 R231 | Q87-D233 PolarHBondContact N-O 3.17Å; R88-D233 HydrophobicContact CB-CB 4.2Å; R88-D233 IonicContact CZ-OD2 2.74Å; R88-D233 PolarHBondContact N-O 3.42Å; R88-D233 IonicContact NE-OD2 3.25Å; R88-D233 PolarHBondContact NE-OD2 3.23Å; R88-D233 IonicContact NH2-OD2 2.71Å; R88-D233 PolarHBondContact NH2-OD2 2.87Å; R88-D233 PolarHBondContact O-N 2.95Å; I208-D233 HydrophobicContact CG2-CB 3.67Å; L209-D233 WeakPolarHBondContact O-CA 3.36Å; T210-D233 WeakPolarHBondContact CA-OD1 3.25Å; T210-D233 VanDerWaalsContact CB-OD1 3.31Å; T210-D233 WeakPolarHBondContact CB-OD1 3.4Å; T210-D233 PolarHBondContact OG1-OD1 2.67Å; R231-D233 IonicContact CZ-OD1 3.93Å; R231-D233 VanDerWaalsContact CZ-OD1 3.3Å; R231-D233 IonicContact CZ-OD2 2.76Å; R231-D233 IonicContact NE-OD1 3.16Å; R231-D233 PolarHBondContact NE-OD1 3.22Å; R231-D233 IonicContact NE-OD2 3.16Å; R231-D233 VanDerWaalsContact NH2-CG 3.28Å; R231-D233 IonicContact NH2-OD1 3.96Å; R231-D233 PolarHBondContact NH2-OD1 3.33Å; R231-D233 IonicContact NH2-OD2 3.69Å; R231-D233 PolarHBondContact NH2-OD2 3.12Å |
| 234 | V | 92.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 138 | -173.6 | -72.7 | 0 | 0 | 0 | 0 | 111.5 | L37 A40 L85 I86 I208 L209 L211 V232 I236 | L37-V234 HydrophobicContact CD2-CB 4.37Å; L37-V234 HydrophobicContact CD2-CG2 3.87Å; A40-V234 HydrophobicContact CB-CG1 3.71Å; L85-V234 HydrophobicContact CB-CB 4.47Å; L85-V234 HydrophobicContact CB-CG1 4.45Å; L85-V234 CarbonylContact O-C 3.51Å; L85-V234 VanDerWaalsContact O-CA 3.31Å; L85-V234 WeakPolarHBondContact O-CA 3.46Å; I86-V234 HydrophobicContact CG1-CG1 3.73Å; I208-V234 WeakPolarHBondContact CA-O 3.43Å; L209-V234 HydrophobicContact CB-CG2 4.16Å; L209-V234 PolarHBondContact N-O 3.31Å; L209-V234 VanDerWaalsContact O-CG2 3.25Å; L209-V234 WeakPolarHBondContact O-CG2 3.13Å; L209-V234 PolarHBondContact O-N 3.21Å; L211-V234 HydrophobicContact CD1-CG1 4.43Å; L211-V234 HydrophobicContact CD1-CG2 4.09Å; L211-V234 HydrophobicContact CG-CG2 4.18Å; V232-V234 HydrophobicContact CG2-CG1 4.22Å; V234-I236 HydrophobicContact CG2-CG2 4.38Å; V234-I236 PolarHBondContact O-N 3Å |
| 235 | N | 91.3 | Very high | 89.3 | Confident | 31 Ų | 31 | 20.3 Ų | 20.3 | 17% | 0.166 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 123.1 | 170.4 | -177.6 | 19.2 | 0 | 0 | 0 | 109.8 | L85 Q87 W207 Q237 | L85-N235 PolarHBondContact O-N 3.3Å; Q87-N235 HydrophobicContact CG-CB 4.16Å; W207-N235 PolarHBondContact O-OD1 3.13Å; N235-Q237 WeakPolarHBondContact OD1-CB 3.47Å; N235-Q237 PolarHBondContact OD1-N 2.95Å |
| 236 | I | 91.6 | Very high | 89.3 | Confident | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | trans | -111.1 | 6.2 | 175.5 | 63.5 | 162.9 | 0 | 0 | 0 | 112.5 | F33 L37 P194 W207 L209 V234 D238 I239 F272 | F33-I236 HydrophobicContact CE1-CB 4.2Å; F33-I236 HydrophobicContact CE1-CD1 4.01Å; F33-I236 HydrophobicContact CE1-CG2 4.37Å; L37-I236 HydrophobicContact CD2-CG2 4.27Å; P194-I236 HydrophobicContact CB-CD1 3.55Å; P194-I236 HydrophobicContact CG-CD1 4.11Å; W207-I236 HydrophobicContact CB-CD1 4.15Å; W207-I236 HydrophobicContact CB-CG1 3.66Å; W207-I236 VanDerWaalsContact O-CG1 3.31Å; W207-I236 WeakPolarHBondContact O-CG1 3.41Å; W207-I236 PolarHBondContact O-N 3.26Å; L209-I236 HydrophobicContact CB-CD1 4.33Å; L209-I236 HydrophobicContact CB-CG2 3.83Å; V234-I236 HydrophobicContact CG2-CG2 4.38Å; V234-I236 PolarHBondContact O-N 3Å; I236-D238 PolarHBondContact O-N 3.06Å; I236-I239 HydrophobicContact CB-CD1 4.05Å; I236-I239 HydrophobicContact CB-CG1 4.48Å; I236-I239 HydrophobicContact CG2-CD1 4.01Å; I236-I239 PolarHBondContact O-N 3.49Å; I236-F272 HydrophobicContact CD1-CD2 3.6Å; I236-F272 HydrophobicContact CD1-CE2 3.7Å; I236-F272 HydrophobicContact CD1-CG 4.15Å; I236-F272 HydrophobicContact CD1-CZ 4.33Å; I236-F272 HydrophobicContact CG1-CD2 4.29Å; I236-F272 WeakPolarHBondContact O-CB 3.19Å | ||
| 237 | Q | 90.2 | Very high | 89.1 | Confident | 24 Ų | 24 | 24.9 Ų | 24.9 | 11% | 0.112 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -29.3 | -173.9 | -176.8 | 56.5 | 82.6 | 0 | 0 | 113.8 | W207 N235 G271 F272 | W207-Q237 VanDerWaalsContact CD1-OE1 3.28Å; N235-Q237 WeakPolarHBondContact OD1-CB 3.47Å; N235-Q237 PolarHBondContact OD1-N 2.95Å; Q237-G271 CarbonylContact O-C 3.47Å; Q237-G271 VanDerWaalsContact O-CA 3.25Å; Q237-G271 WeakPolarHBondContact O-CA 3.5Å; Q237-F272 PolarHBondContact NE2-O 3.03Å; Q237-F272 PolarHBondContact O-N 2.7Å |
| 238 | D | 88.6 | Confident | 89 | Confident | 127 Ų | 127 | 31 Ų | 31 | 68% | 0.679 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -0.8 | -178.6 | -55.6 | -54.8 | 0 | 0 | 0 | 113.6 | I236 | I236-D238 PolarHBondContact O-N 3.06Š|
| 239 | I | 90.3 | Very high | 88.9 | Confident | 14 Ų | 14 | 32.2 Ų | 32.2 | 7% | 0.072 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -89.7 | 120.4 | 176.3 | -51.4 | 178.2 | 0 | 0 | 0 | 109.5 | F33 P36 L37 I236 G271 F272 | F33-I239 HydrophobicContact CD1-CB 4.4Å; F33-I239 HydrophobicContact CD1-CD1 3.77Å; F33-I239 HydrophobicContact CD1-CG2 3.88Å; F33-I239 HydrophobicContact CD2-CG2 3.89Å; F33-I239 HydrophobicContact CE1-CB 4.06Å; F33-I239 HydrophobicContact CE1-CD1 4.11Å; F33-I239 HydrophobicContact CE1-CG2 3.79Å; F33-I239 HydrophobicContact CE2-CG2 3.79Å; F33-I239 HydrophobicContact CG-CD1 4.45Å; F33-I239 HydrophobicContact CG-CG2 3.92Å; F33-I239 HydrophobicContact CZ-CB 4.24Å; F33-I239 HydrophobicContact CZ-CG2 3.73Å; P36-I239 HydrophobicContact CB-CD1 3.78Å; P36-I239 HydrophobicContact CB-CG1 4.21Å; P36-I239 HydrophobicContact CG-CD1 4.26Å; P36-I239 HydrophobicContact CG-CG1 4.38Å; L37-I239 HydrophobicContact CD2-CD1 4.12Å; L37-I239 HydrophobicContact CG-CD1 4.36Å; I236-I239 HydrophobicContact CB-CD1 4.05Å; I236-I239 HydrophobicContact CB-CG1 4.48Å; I236-I239 HydrophobicContact CG2-CD1 4.01Å; I236-I239 PolarHBondContact O-N 3.49Å; I239-G271 CarbonylContact O-C 3.51Å; I239-F272 WeakPolarHBondContact O-CA 3.49Å; I239-F272 PolarHBondContact O-N 3.06Å |
| 240 | D | 89.9 | Confident | 88.8 | Confident | 43 Ų | 43 | 32.4 Ų | 32.4 | 23% | 0.23 | 19% | 0.19 | C | C | . | . | trans | -59.2 | 150.1 | 179.5 | -73.1 | -41.8 | 0 | 0 | 0 | 113.4 | N32 P268 G269 R270 G271 | N32-D240 PolarHBondContact ND2-O 3.22Å; D240-P268 WeakPolarHBondContact OD2-CA 3.37Å; D240-G269 VanDerWaalsContact CG-N 3.28Å; D240-G269 PolarHBondContact OD1-N 2.9Å; D240-G269 PolarHBondContact OD2-N 3.46Å; D240-R270 PolarHBondContact OD1-N 3.41Å; D240-G271 PolarHBondContact OD1-N 2.92Å | ||
| 241 | L | 88.3 | Confident | 88.5 | Confident | 5 Ų | 5 | 32.8 Ų | 32.8 | 3% | 0.026 | 19% | 0.192 | C | C | . | . | trans | -109.3 | 104 | 178.9 | -176.7 | 64 | 0 | 0 | 0 | 112.1 | Q243 F251 F272 F274 | L241-Q243 HydrophobicContact CD2-CG 4.13Å; L241-Q243 HydrophobicContact CG-CG 4.02Å; L241-Q243 PolarHBondContact O-N 2.95Å; L241-F251 HydrophobicContact CD1-CB 3.86Å; L241-F251 HydrophobicContact CD1-CD2 3.53Å; L241-F251 HydrophobicContact CD1-CE2 4.3Å; L241-F251 HydrophobicContact CD1-CG 3.84Å; L241-F272 HydrophobicContact CD1-CD2 4.49Å; L241-F272 HydrophobicContact CD1-CE2 3.9Å; L241-F272 HydrophobicContact CD1-CZ 4.16Å; L241-F272 HydrophobicContact CD2-CE1 4.43Å; L241-F272 HydrophobicContact CD2-CZ 4.35Å; L241-F274 HydrophobicContact CD2-CD1 3.82Å; L241-F274 HydrophobicContact CD2-CE1 3.87Å; L241-F274 HydrophobicContact CD2-CG 4.28Å; L241-F274 HydrophobicContact CD2-CZ 4.36Å | ||
| 242 | D | 88 | Confident | 88.3 | Confident | 53 Ų | 53 | 33 Ų | 33 | 28% | 0.283 | 20% | 0.195 | S | C | . | . | trans | -82.2 | 101.8 | 174.3 | -173.1 | -0.8 | 0 | 0 | 0 | 111.9 | C244 A245 | D242-C244 VanDerWaalsContact OD1-CA 3.32Å; D242-C244 WeakPolarHBondContact OD1-CA 3.28Å; D242-C244 WeakPolarHBondContact OD1-CB 3.36Å; D242-C244 PolarHBondContact OD1-N 3.43Å; D242-A245 HydrophobicContact CB-CB 4.37Å; D242-A245 PolarHBondContact OD1-N 3.34Å | ||
| 243 | Q | 88.6 | Confident | 87.9 | Confident | 8 Ų | 8 | 36.6 Ų | 36.6 | 4% | 0.037 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -90 | -4.4 | 173.6 | -57.3 | -171.6 | -101.1 | 0 | 0 | 113.8 | L241 H253 T254 H255 Y277 | L241-Q243 HydrophobicContact CD2-CG 4.13Å; L241-Q243 HydrophobicContact CG-CG 4.02Å; L241-Q243 PolarHBondContact O-N 2.95Å; Q243-H253 PolarHBondContact O-N 3.16Å; Q243-T254 PolarHBondContact NE2-OG1 2.91Å; Q243-H255 PolarHBondContact O-CD2 2.82Å; Q243-Y277 HydrophobicContact CB-CD1 3.87Å; Q243-Y277 HydrophobicContact CB-CE1 4.17Å; Q243-Y277 HydrophobicContact CG-CD1 4.38Å |
| 244 | C | 89.1 | Confident | 87.7 | Confident | 18 Ų | 18 | 39.5 Ų | 39.5 | 12% | 0.122 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -90.2 | -16.1 | 174.9 | -59.9 | 0 | 0 | 0 | 0 | 112.6 | D242 C264 V265 Y277 | D242-C244 VanDerWaalsContact OD1-CA 3.32Å; D242-C244 WeakPolarHBondContact OD1-CA 3.28Å; D242-C244 WeakPolarHBondContact OD1-CB 3.36Å; D242-C244 PolarHBondContact OD1-N 3.43Å; C244-C264 WeakPolarHBondContact CA-SG 3.31Å; C244-C264 HydrophobicContact CB-CB 3.65Å; C244-C264 WeakPolarHBondContact CB-SG 3.45Å; C244-C264 WeakPolarHBondContact SG-CB 3.4Å; C244-C264 CovalentContact SG-SG 2.04Å; C244-C264 PolarHBondContact SG-SG 3.38Å; C244-V265 VanDerWaalsContact SG-C 3.5Å; C244-V265 PolarHBondContact SG-N 3.22Å; C244-V265 VanDerWaalsContact SG-N 3.35Å; C244-Y277 VanDerWaalsContact SG-CB 3.51Å |
| 245 | A | 87.1 | Confident | 87.4 | Confident | 19 Ų | 19 | 40.9 Ų | 40.9 | 16% | 0.157 | 24% | 0.236 | C | C | . | . | trans | -45 | 147.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | D242 A252 H253 | D242-A245 HydrophobicContact CB-CB 4.37Å; D242-A245 PolarHBondContact OD1-N 3.34Å; A245-A252 HydrophobicContact CB-CB 4.11Å; A245-A252 WeakPolarHBondContact O-CB 3.43Å; A245-H253 PolarHBondContact O-N 3.23Å | ||
| 246 | T | 82.5 | Confident | 87.2 | Confident | 115 Ų | 115 | 45.2 Ų | 45.2 | 71% | 0.706 | 26% | 0.255 | S | S | * | . | trans | -113.4 | 137 | -175 | 57.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 247 | G | 82.9 | Confident | 86.9 | Confident | 37 Ų | 37 | 45.5 Ų | 45.5 | 38% | 0.381 | 26% | 0.258 | S | S | . | . | S | Bend | trans | 89.1 | -168.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | S249 A252 H253 | G247-S249 VanDerWaalsContact C-N 3.26Å; G247-S249 PolarHBondContact O-N 3.46Å; G247-A252 WeakPolarHBondContact O-CB 3.21Å; G247-H253 PolarHBondContact N-NE2 3.47Å |
| 248 | D | 83.4 | Confident | 86.7 | Confident | 143 Ų | 143 | 48 Ų | 48 | 77% | 0.765 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -84.1 | 57.5 | -166.3 | -53.9 | -36.3 | 0 | 0 | 0 | 113.2 | G27 S28 | G27-D248 CarbonylContact C-O 3.49Å; G27-D248 WeakPolarHBondContact CA-O 3.39Å; S28-D248 PolarHBondContact N-O 3.35Å; S28-D248 PolarHBondContact OG-O 3.4Å |
| 249 | S | 85.8 | Confident | 86.6 | Confident | 25 Ų | 25 | 48.3 Ų | 48.3 | 18% | 0.175 | 26% | 0.263 | C | S | . | . | B | Isolated β-bridge | trans | -109.9 | 153.6 | 167.7 | 57.6 | 0 | 0 | 0 | 0 | 111.1 | S28 G247 F251 A252 | S28-S249 CarbonylContact O-C 3.57Å; S28-S249 VanDerWaalsContact O-CA 3.3Å; S28-S249 WeakPolarHBondContact O-CA 3.25Å; G247-S249 VanDerWaalsContact C-N 3.26Å; G247-S249 PolarHBondContact O-N 3.46Å; S249-F251 PolarHBondContact O-N 2.96Å; S249-A252 WeakPolarHBondContact O-CB 3.48Å; S249-A252 PolarHBondContact O-N 3.49Å; S249-A252 VanDerWaalsContact O-N 3.15Å |
| 250 | W | 87.2 | Confident | 86.5 | Confident | 4 Ų | 4 | 52.3 Ų | 52.3 | 2% | 0.015 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | 138.3 | -178 | -66.2 | -1.6 | 0 | 0 | 0 | 112.5 | Q25 G27 S28 L29 P30 Y190 A191 L209 A252 | Q25-W250 HydrophobicContact CB-CB 4Å; Q25-W250 HydrophobicContact CB-CD2 3.81Å; Q25-W250 HydrophobicContact CB-CG 3.47Å; Q25-W250 VanDerWaalsContact CB-CG 3.47Å; Q25-W250 HydrophobicContact CG-CB 4.06Å; Q25-W250 HydrophobicContact CG-CD2 4.15Å; Q25-W250 HydrophobicContact CG-CG 3.94Å; G27-W250 PolarHBondContact O-NE1 2.97Å; S28-W250 VanDerWaalsContact O-CD1 3.24Å; S28-W250 PolarHBondContact O-N 2.95Å; L29-W250 HydrophobicContact CD1-CD2 4.29Å; L29-W250 HydrophobicContact CD1-CE3 3.72Å; L29-W250 HydrophobicContact CD1-CH2 3.98Å; L29-W250 HydrophobicContact CD1-CZ3 3.53Å; P30-W250 HydrophobicContact CG-CB 3.88Å; Y190-W250 AromaticContact CD2-CH2 3.72Å; Y190-W250 HydrophobicContact CD2-CH2 3.72Å; Y190-W250 AromaticContact CD2-CZ2 3.36Å; Y190-W250 HydrophobicContact CD2-CZ2 3.36Å; Y190-W250 AromaticContact CE2-CE2 3.98Å; Y190-W250 HydrophobicContact CE2-CH2 4.2Å; Y190-W250 AromaticContact CE2-CZ2 3.43Å; Y190-W250 HydrophobicContact CE2-CZ2 3.43Å; Y190-W250 VanDerWaalsContact CE2-CZ2 3.43Å; Y190-W250 HydrophobicContact CG-CZ2 4.48Å; A191-W250 WeakPolarHBondContact O-CH2 3.34Å; A191-W250 VanDerWaalsContact O-CZ2 3.28Å; A191-W250 WeakPolarHBondContact O-CZ2 3.46Å; L209-W250 HydrophobicContact CD1-CH2 3.84Å; L209-W250 HydrophobicContact CD1-CZ3 4.04Å; L209-W250 HydrophobicContact CD2-CZ3 4.34Å; W250-A252 PolarHBondContact O-N 3.1Å |
| 251 | F | 86.3 | Confident | 86.3 | Confident | 9 Ų | 9 | 50.6 Ų | 50.6 | 4% | 0.039 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 2.8 | -177.8 | -48 | -79.7 | 0 | 0 | 0 | 116.2 | T22 Q25 P194 L241 S249 T254 F272 F274 | T22-F251 HydrophobicContact CG2-CE1 4.32Å; T22-F251 HydrophobicContact CG2-CZ 4.22Å; Q25-F251 VanDerWaalsContact CD-CE1 3.4Å; Q25-F251 HydrophobicContact CG-CD2 4.39Å; Q25-F251 HydrophobicContact CG-CE1 4.04Å; Q25-F251 HydrophobicContact CG-CE2 3.86Å; Q25-F251 HydrophobicContact CG-CZ 3.66Å; P194-F251 HydrophobicContact CG-CE2 4.44Å; P194-F251 HydrophobicContact CG-CZ 4.3Å; L241-F251 HydrophobicContact CD1-CB 3.86Å; L241-F251 HydrophobicContact CD1-CD2 3.53Å; L241-F251 HydrophobicContact CD1-CE2 4.3Å; L241-F251 HydrophobicContact CD1-CG 3.84Å; S249-F251 PolarHBondContact O-N 2.96Å; F251-T254 WeakPolarHBondContact O-CB 3.39Å; F251-T254 WeakPolarHBondContact O-CG2 3.38Å; F251-T254 PolarHBondContact O-N 2.82Å; F251-T254 PolarHBondContact O-OG1 3.42Å; F251-F272 HydrophobicContact CD2-CZ 4.44Å; F251-F272 HydrophobicContact CE2-CE2 4.29Å; F251-F272 AromaticContact CE2-CZ 3.75Å; F251-F272 HydrophobicContact CE2-CZ 3.75Å; F251-F272 HydrophobicContact CZ-CZ 4.03Å; F251-F274 AromaticContact CD1-CE1 3.64Å; F251-F274 HydrophobicContact CD1-CE1 3.64Å; F251-F274 HydrophobicContact CD1-CZ 4.07Å; F251-F274 AromaticContact CE1-CE1 3.74Å; F251-F274 HydrophobicContact CE1-CE1 3.74Å; F251-F274 AromaticContact CE1-CZ 3.66Å; F251-F274 HydrophobicContact CE1-CZ 3.66Å; F251-F274 HydrophobicContact CG-CE1 4.49Å; F251-F274 HydrophobicContact CZ-CZ 4.31Å |
| 252 | A | 87.1 | Confident | 86.2 | Confident | 14 Ų | 14 | 51.6 Ų | 51.6 | 12% | 0.116 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | 148.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | A245 G247 S249 W250 T254 | A245-A252 HydrophobicContact CB-CB 4.11Å; A245-A252 WeakPolarHBondContact O-CB 3.43Å; G247-A252 WeakPolarHBondContact O-CB 3.21Å; S249-A252 WeakPolarHBondContact O-CB 3.48Å; S249-A252 PolarHBondContact O-N 3.49Å; S249-A252 VanDerWaalsContact O-N 3.15Å; W250-A252 PolarHBondContact O-N 3.1Å; A252-T254 PolarHBondContact O-N 3.41Å |
| 253 | H | 83.9 | Confident | 86.2 | Confident | 76 Ų | 76 | 52.4 Ų | 52.4 | 35% | 0.352 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 5.1 | 176.6 | -73.8 | -36.7 | 0 | 0 | 0 | 117.3 | Q243 A245 G247 H255 R259 | Q243-H253 PolarHBondContact O-N 3.16Å; A245-H253 PolarHBondContact O-N 3.23Å; G247-H253 PolarHBondContact N-NE2 3.47Å; H253-H255 VanDerWaalsContact C-N 3.25Å; H253-H255 PolarHBondContact O-N 2.96Å; H253-R259 PolarHBondContact ND1-NH2 3.4Å; H253-R259 PolarHBondContact O-NH2 3.19Å |
| 254 | T | 87.1 | Confident | 86.2 | Confident | 64 Ų | 64 | 53.4 Ų | 53.4 | 39% | 0.393 | 30% | 0.295 | S | S | . | . | trans | -82 | 6.1 | -179.5 | 62 | 0 | 0 | 0 | 0 | 114.6 | Q243 F251 A252 | Q243-T254 PolarHBondContact NE2-OG1 2.91Å; F251-T254 WeakPolarHBondContact O-CB 3.39Å; F251-T254 WeakPolarHBondContact O-CG2 3.38Å; F251-T254 PolarHBondContact O-N 2.82Å; F251-T254 PolarHBondContact O-OG1 3.42Å; A252-T254 PolarHBondContact O-N 3.41Å | ||
| 255 | H | 86.8 | Confident | 86.1 | Confident | 29 Ų | 29 | 55.6 Ų | 55.6 | 13% | 0.134 | 31% | 0.307 | C | S | . | . | trans | -65.5 | 151.1 | 175.4 | 66.7 | 72.1 | 0 | 0 | 0 | 113.6 | Q243 H253 C257 C264 Y277 | Q243-H255 PolarHBondContact O-CD2 2.82Å; H253-H255 VanDerWaalsContact C-N 3.25Å; H253-H255 PolarHBondContact O-N 2.96Å; H255-C257 PolarHBondContact ND1-N 3.18Å; H255-C257 PolarHBondContact ND1-O 2.94Å; H255-C264 WeakPolarHBondContact CB-SG 3.07Å; H255-C264 VanDerWaalsContact CG-SG 3.57Å; H255-Y277 HydrophobicContact CB-CD1 4.35Å; H255-Y277 HydrophobicContact CB-CD2 4.04Å; H255-Y277 HydrophobicContact CB-CE1 4.17Å; H255-Y277 HydrophobicContact CB-CE2 3.87Å; H255-Y277 HydrophobicContact CB-CG 4.3Å | ||
| 256 | Q | 86.3 | Confident | 86.1 | Confident | 121 Ų | 121 | 57.3 Ų | 57.3 | 57% | 0.565 | 32% | 0.317 | S | S | * | . | trans | -89.7 | -3.1 | 179 | -68.5 | 172.3 | -18.3 | 0 | 0 | 113.6 | Y277 | Q256-Y277 WeakPolarHBondContact CB-OH 2.86Å; Q256-Y277 WeakPolarHBondContact CG-OH 3.27Å; Q256-Y277 PolarHBondContact N-OH 3.27Å | ||
| 257 | C | 85.2 | Confident | 86.3 | Confident | 8 Ų | 8 | 52.4 Ų | 52.4 | 5% | 0.054 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -63.4 | 138 | -179.7 | -46.9 | 0 | 0 | 0 | 0 | 113 | H255 R259 M262 C279 | H255-C257 PolarHBondContact ND1-N 3.18Å; H255-C257 PolarHBondContact ND1-O 2.94Å; C257-R259 PolarHBondContact O-N 3.43Å; C257-M262 HydrophobicContact CB-CB 4.14Å; C257-M262 HydrophobicContact CB-SD 4.28Å; C257-C279 WeakPolarHBondContact CA-SG 3.49Å; C257-C279 HydrophobicContact CB-CB 3.71Å; C257-C279 WeakPolarHBondContact CB-SG 3.31Å; C257-C279 WeakPolarHBondContact SG-CA 3.36Å; C257-C279 WeakPolarHBondContact SG-CB 3.21Å; C257-C279 CovalentContact SG-SG 2.04Å; C257-C279 PolarHBondContact SG-SG 3.15Å |
| 258 | N | 86.6 | Confident | 86.4 | Confident | 75 Ų | 75 | 54.8 Ų | 54.8 | 40% | 0.401 | 30% | 0.295 | S | S | . | . | trans | -69.9 | 111.3 | 177.6 | 176.8 | 18.3 | 0 | 0 | 0 | 111.6 | T260 S261 M262 | N258-T260 PolarHBondContact ND2-OG1 3.24Å; N258-T260 PolarHBondContact O-N 2.85Å; N258-T260 PolarHBondContact OD1-N 3.09Å; N258-T260 PolarHBondContact OD1-OG1 3.44Å; N258-S261 PolarHBondContact ND2-OG 3.46Å; N258-S261 VanDerWaalsContact ND2-OG 3.11Å; N258-S261 PolarHBondContact O-N 2.9Å; N258-M262 HydrophobicContact CB-CE 4.25Å; N258-M262 HydrophobicContact CB-CG 4.27Å; N258-M262 HydrophobicContact CB-SD 3.84Å; N258-M262 PolarHBondContact N-SD 2.72Å; N258-M262 WeakPolarHBondContact O-CA 3.32Å; N258-M262 VanDerWaalsContact O-CB 3.25Å; N258-M262 WeakPolarHBondContact O-CB 3.42Å; N258-M262 PolarHBondContact O-N 2.85Å | ||
| 259 | R | 86.3 | Confident | 86.4 | Confident | 135 Ų | 135 | 51.5 Ų | 51.5 | 51% | 0.509 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -21.7 | -174.5 | -64.8 | -178.3 | 179.6 | -129.7 | -6.4 | 114.9 | H253 C257 K282 | H253-R259 PolarHBondContact ND1-NH2 3.4Å; H253-R259 PolarHBondContact O-NH2 3.19Å; C257-R259 PolarHBondContact O-N 3.43Å; R259-K282 PolarHBondContact O-NZ 3.21Å |
| 260 | T | 87.4 | Confident | 86.3 | Confident | 97 Ų | 97 | 54.8 Ų | 54.8 | 60% | 0.595 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -53.9 | 178.5 | 57.7 | 0 | 0 | 0 | 0 | 112.4 | N258 | N258-T260 PolarHBondContact ND2-OG1 3.24Å; N258-T260 PolarHBondContact O-N 2.85Å; N258-T260 PolarHBondContact OD1-N 3.09Å; N258-T260 PolarHBondContact OD1-OG1 3.44Å |
| 261 | S | 85.8 | Confident | 86.3 | Confident | 8 Ų | 8 | 54.8 Ų | 54.8 | 6% | 0.056 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | -7 | -174.7 | 59.1 | 0 | 0 | 0 | 0 | 115.7 | N258 K282 Y285 | N258-S261 PolarHBondContact ND2-OG 3.46Å; N258-S261 VanDerWaalsContact ND2-OG 3.11Å; N258-S261 PolarHBondContact O-N 2.9Å; S261-K282 PolarHBondContact O-N 2.87Å; S261-Y285 VanDerWaalsContact CB-CD1 3.43Å; S261-Y285 VanDerWaalsContact CB-CE1 3.49Å |
| 262 | M | 87.4 | Confident | 86.5 | Confident | 26 Ų | 26 | 54.5 Ų | 54.5 | 13% | 0.128 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 153.5 | -176.1 | -55.7 | 168.5 | -177.1 | 0 | 0 | 113.6 | C257 N258 C279 R280 K282 Y316 C318 | C257-M262 HydrophobicContact CB-CB 4.14Å; C257-M262 HydrophobicContact CB-SD 4.28Å; N258-M262 HydrophobicContact CB-CE 4.25Å; N258-M262 HydrophobicContact CB-CG 4.27Å; N258-M262 HydrophobicContact CB-SD 3.84Å; N258-M262 PolarHBondContact N-SD 2.72Å; N258-M262 WeakPolarHBondContact O-CA 3.32Å; N258-M262 VanDerWaalsContact O-CB 3.25Å; N258-M262 WeakPolarHBondContact O-CB 3.42Å; N258-M262 PolarHBondContact O-N 2.85Å; M262-C279 HydrophobicContact SD-CB 3.94Å; M262-R280 CarbonylContact C-O 3.54Å; M262-R280 WeakPolarHBondContact CA-O 3.27Å; M262-R280 WeakPolarHBondContact CB-O 3.31Å; M262-K282 WeakPolarHBondContact O-CE 3.43Å; M262-Y316 WeakPolarHBondContact CE-O 3.21Å; M262-C318 HydrophobicContact CE-CB 4.46Å; M262-C318 HydrophobicContact CG-CB 4.39Å |
| 263 | E | 87.9 | Confident | 86.5 | Confident | 70 Ų | 70 | 57.5 Ų | 57.5 | 33% | 0.327 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 152.8 | 165.4 | 64 | -167.7 | -175.2 | 0 | 0 | 110.2 | R280 K282 | E263-R280 HydrophobicContact CG-CB 3.87Å; E263-R280 HydrophobicContact CG-CG 4.1Å; E263-R280 PolarHBondContact N-O 2.91Å; E263-R280 PolarHBondContact O-N 2.88Å; E263-R280 WeakPolarHBondContact OE1-CD 3.35Å; E263-R280 WeakPolarHBondContact OE1-CG 3.45Å; E263-R280 IonicContact OE1-CZ 3.8Å; E263-R280 IonicContact OE1-NE 2.74Å; E263-R280 PolarHBondContact OE1-NE 3.37Å; E263-R280 IonicContact OE1-NH2 3.19Å; E263-K282 HydrophobicContact CB-CG 4.16Å |
| 264 | C | 87.4 | Confident | 86.7 | Confident | 29 Ų | 29 | 55.2 Ų | 55.2 | 20% | 0.196 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 128.9 | -178.8 | -170.1 | 0 | 0 | 0 | 0 | 108.8 | C244 H255 | C244-C264 WeakPolarHBondContact CA-SG 3.31Å; C244-C264 HydrophobicContact CB-CB 3.65Å; C244-C264 WeakPolarHBondContact CB-SG 3.45Å; C244-C264 WeakPolarHBondContact SG-CB 3.4Å; C244-C264 CovalentContact SG-SG 2.04Å; C244-C264 PolarHBondContact SG-SG 3.38Å; H255-C264 WeakPolarHBondContact CB-SG 3.07Å; H255-C264 VanDerWaalsContact CG-SG 3.57Å |
| 265 | V | 87.8 | Confident | 86.5 | Confident | 64 Ų | 64 | 52.9 Ų | 52.9 | 39% | 0.388 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 119.7 | 176.8 | -175.9 | 0 | 0 | 0 | 0 | 109 | C244 Y277 C278 | C244-V265 VanDerWaalsContact SG-C 3.5Å; C244-V265 PolarHBondContact SG-N 3.22Å; C244-V265 VanDerWaalsContact SG-N 3.35Å; V265-Y277 CarbonylContact O-C 3.56Å; V265-Y277 VanDerWaalsContact O-CA 3.22Å; V265-Y277 WeakPolarHBondContact O-CA 3.22Å; V265-C278 PolarHBondContact N-O 3.38Å; V265-C278 PolarHBondContact O-N 3.36Å |
| 266 | P | 87.8 | Confident | 86.4 | Confident | 55 Ų | 55 | 52.1 Ų | 52.1 | 36% | 0.357 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 152.1 | -179.2 | 29.2 | -33.4 | 0 | 0 | 0 | 111.9 | ||
| 267 | V | 85.5 | Confident | 86.4 | Confident | 12 Ų | 12 | 47.1 Ų | 47.1 | 7% | 0.073 | 26% | 0.262 | C | S | . | . | trans | -111.4 | 104.9 | 179.8 | 178 | 0 | 0 | 0 | 0 | 109.3 | Q276 C278 F308 | V267-Q276 HydrophobicContact CB-CB 4.34Å; V267-Q276 PolarHBondContact N-O 2.8Å; V267-C278 VanDerWaalsContact CG2-SG 3.59Å; V267-F308 HydrophobicContact CG1-CD1 3.72Å; V267-F308 HydrophobicContact CG1-CE1 3.97Å; V267-F308 HydrophobicContact CG2-CD1 4.17Å; V267-F308 HydrophobicContact CG2-CE1 4.28Å | ||
| 268 | P | 85.9 | Confident | 86.3 | Confident | 87 Ų | 87 | 47.8 Ų | 47.8 | 57% | 0.565 | 27% | 0.266 | S | S | * | . | trans | -80 | 169.4 | -178.8 | 34 | -36.5 | 0 | 0 | 0 | 112.8 | D240 | D240-P268 WeakPolarHBondContact OD2-CA 3.37Š| ||
| 269 | G | 83.9 | Confident | 86.2 | Confident | 73 Ų | 73 | 46 Ų | 46 | 75% | 0.753 | 26% | 0.26 | S | S | * | . | S | Bend | trans | 76.6 | 25.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | D240 | D240-G269 VanDerWaalsContact CG-N 3.28Å; D240-G269 PolarHBondContact OD1-N 2.9Å; D240-G269 PolarHBondContact OD2-N 3.46Å |
| 270 | R | 83.3 | Confident | 86 | Confident | 95 Ų | 95 | 47.4 Ų | 47.4 | 36% | 0.358 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -124.8 | -9.3 | -179.9 | -66.7 | -173.8 | 171.1 | -162.1 | -3.3 | 113.5 | D240 R273 Q276 | D240-R270 PolarHBondContact OD1-N 3.41Å; R270-R273 WeakPolarHBondContact O-CD 3.37Å; R270-R273 PolarHBondContact O-NE 3.05Å; R270-R273 PolarHBondContact O-NH2 3.02Å; R270-Q276 HydrophobicContact CB-CG 4.24Å; R270-Q276 VanDerWaalsContact NH1-OE1 3.16Å |
| 271 | G | 86.9 | Confident | 85.9 | Confident | 4 Ų | 4 | 43.9 Ų | 43.9 | 4% | 0.041 | 24% | 0.244 | C | C | . | . | trans | 72.9 | -164.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | Q237 I239 D240 R273 | Q237-G271 CarbonylContact O-C 3.47Å; Q237-G271 VanDerWaalsContact O-CA 3.25Å; Q237-G271 WeakPolarHBondContact O-CA 3.5Å; I239-G271 CarbonylContact O-C 3.51Å; D240-G271 PolarHBondContact OD1-N 2.92Å; G271-R273 PolarHBondContact O-N 3.46Å | ||
| 272 | F | 89.8 | Confident | 85.8 | Confident | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.009 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -74.1 | 90 | -172.9 | -159 | -77.9 | 0 | 0 | 0 | 111 | F33 P194 W207 I236 Q237 I239 L241 F251 F274 | F33-F272 HydrophobicContact CE1-CD2 4.22Å; F33-F272 HydrophobicContact CE1-CE2 4.3Å; F33-F272 AromaticContact CZ-CD2 3.81Å; F33-F272 HydrophobicContact CZ-CD2 3.81Å; F33-F272 AromaticContact CZ-CE2 3.82Å; F33-F272 HydrophobicContact CZ-CE2 3.82Å; P194-F272 HydrophobicContact CG-CE1 4.2Å; P194-F272 HydrophobicContact CG-CE2 4.26Å; P194-F272 HydrophobicContact CG-CZ 3.65Å; W207-F272 HydrophobicContact CB-CB 4.36Å; W207-F272 HydrophobicContact CB-CD1 4.11Å; W207-F272 HydrophobicContact CB-CG 4.28Å; W207-F272 AromaticContact CD1-CD1 3.41Å; W207-F272 VanDerWaalsContact CD1-CD1 3.41Å; W207-F272 VanDerWaalsContact CD1-O 3.27Å; W207-F272 AromaticContact CD2-CD1 3.74Å; W207-F272 HydrophobicContact CD2-CD1 3.74Å; W207-F272 AromaticContact CD2-CE1 3.9Å; W207-F272 HydrophobicContact CD2-CE1 3.9Å; W207-F272 AromaticContact CE2-CD1 3.74Å; W207-F272 AromaticContact CE2-CE1 3.93Å; W207-F272 HydrophobicContact CE3-CE1 4.33Å; W207-F272 HydrophobicContact CG-CB 4.31Å; W207-F272 AromaticContact CG-CD1 3.49Å; W207-F272 HydrophobicContact CG-CD1 3.49Å; W207-F272 VanDerWaalsContact CG-CD1 3.49Å; W207-F272 HydrophobicContact CG-CE1 4.11Å; W207-F272 HydrophobicContact CG-CG 4.1Å; W207-F272 HydrophobicContact CZ2-CE1 4.34Å; W207-F272 AromaticContact NE1-CD1 3.55Å; W207-F272 PolarHBondContact NE1-O 3.45Å; I236-F272 HydrophobicContact CD1-CD2 3.6Å; I236-F272 HydrophobicContact CD1-CE2 3.7Å; I236-F272 HydrophobicContact CD1-CG 4.15Å; I236-F272 HydrophobicContact CD1-CZ 4.33Å; I236-F272 HydrophobicContact CG1-CD2 4.29Å; I236-F272 WeakPolarHBondContact O-CB 3.19Å; Q237-F272 PolarHBondContact NE2-O 3.03Å; Q237-F272 PolarHBondContact O-N 2.7Å; I239-F272 WeakPolarHBondContact O-CA 3.49Å; I239-F272 PolarHBondContact O-N 3.06Å; L241-F272 HydrophobicContact CD1-CD2 4.49Å; L241-F272 HydrophobicContact CD1-CE2 3.9Å; L241-F272 HydrophobicContact CD1-CZ 4.16Å; L241-F272 HydrophobicContact CD2-CE1 4.43Å; L241-F272 HydrophobicContact CD2-CZ 4.35Å; F251-F272 HydrophobicContact CD2-CZ 4.44Å; F251-F272 HydrophobicContact CE2-CE2 4.29Å; F251-F272 AromaticContact CE2-CZ 3.75Å; F251-F272 HydrophobicContact CE2-CZ 3.75Å; F251-F272 HydrophobicContact CZ-CZ 4.03Å; F272-F274 HydrophobicContact CE1-CE2 4.37Å; F272-F274 HydrophobicContact CE1-CZ 4.49Å |
| 273 | R | 88.1 | Confident | 85.6 | Confident | 78 Ų | 78 | 53.7 Ų | 53.7 | 29% | 0.294 | 29% | 0.287 | S | S | . | . | trans | -141.5 | 143.8 | 177.1 | -55.5 | 179.3 | -153.3 | -154.6 | 5.7 | 108.3 | T5 R270 G271 Q276 | T5-R273 PolarHBondContact O-NH1 3.04Å; R270-R273 WeakPolarHBondContact O-CD 3.37Å; R270-R273 PolarHBondContact O-NE 3.05Å; R270-R273 PolarHBondContact O-NH2 3.02Å; G271-R273 PolarHBondContact O-N 3.46Å; R273-Q276 HydrophobicContact CB-CG 3.92Å; R273-Q276 WeakPolarHBondContact O-CG 3.42Å | ||
| 274 | F | 87.5 | Confident | 85.3 | Confident | 28 Ų | 28 | 51.6 Ų | 51.6 | 12% | 0.123 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | 156.9 | 169.5 | -67 | -83.7 | 0 | 0 | 0 | 110.7 | L3 Y4 T22 W207 L241 F251 F272 Q276 | L3-F274 HydrophobicContact CB-CD2 4.08Å; L3-F274 WeakPolarHBondContact O-CB 3.24Å; L3-F274 WeakPolarHBondContact O-CD2 3.45Å; L3-F274 PolarHBondContact O-N 3.31Å; Y4-F274 WeakPolarHBondContact CA-O 3.24Å; Y4-F274 VanDerWaalsContact CD1-C 3.49Å; Y4-F274 HydrophobicContact CD1-CB 3.68Å; Y4-F274 VanDerWaalsContact CD1-O 3.31Å; Y4-F274 WeakPolarHBondContact CD1-O 3.47Å; Y4-F274 HydrophobicContact CE1-CB 3.61Å; Y4-F274 HydrophobicContact CG-CB 4.32Å; T22-F274 HydrophobicContact CG2-CE2 4.27Å; T22-F274 HydrophobicContact CG2-CZ 3.97Å; W207-F274 HydrophobicContact CH2-CE2 4.38Å; W207-F274 HydrophobicContact CZ2-CE2 4.07Å; L241-F274 HydrophobicContact CD2-CD1 3.82Å; L241-F274 HydrophobicContact CD2-CE1 3.87Å; L241-F274 HydrophobicContact CD2-CG 4.28Å; L241-F274 HydrophobicContact CD2-CZ 4.36Å; F251-F274 AromaticContact CD1-CE1 3.64Å; F251-F274 HydrophobicContact CD1-CE1 3.64Å; F251-F274 HydrophobicContact CD1-CZ 4.07Å; F251-F274 AromaticContact CE1-CE1 3.74Å; F251-F274 HydrophobicContact CE1-CE1 3.74Å; F251-F274 AromaticContact CE1-CZ 3.66Å; F251-F274 HydrophobicContact CE1-CZ 3.66Å; F251-F274 HydrophobicContact CG-CE1 4.49Å; F251-F274 HydrophobicContact CZ-CZ 4.31Å; F272-F274 HydrophobicContact CE1-CE2 4.37Å; F272-F274 HydrophobicContact CE1-CZ 4.49Å; F274-Q276 PolarHBondContact O-NE2 3.27Å; F274-Q276 VanDerWaalsContact O-NE2 3.07Å |
| 275 | G | 82.3 | Confident | 85.2 | Confident | 14 Ų | 14 | 54 Ų | 54 | 14% | 0.144 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 12.3 | 178 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y277 | G275-Y277 PolarHBondContact O-N 3.37Š|
| 276 | Q | 85.1 | Confident | 84.9 | Confident | 13 Ų | 13 | 52 Ų | 52 | 6% | 0.061 | 28% | 0.276 | C | S | . | . | trans | -84 | 58 | 179.1 | -50.6 | -46.4 | -45 | 0 | 0 | 111.5 | Y4 V267 R270 R273 F274 | Y4-Q276 PolarHBondContact O-NE2 3.23Å; V267-Q276 HydrophobicContact CB-CB 4.34Å; V267-Q276 PolarHBondContact N-O 2.8Å; R270-Q276 HydrophobicContact CB-CG 4.24Å; R270-Q276 VanDerWaalsContact NH1-OE1 3.16Å; R273-Q276 HydrophobicContact CB-CG 3.92Å; R273-Q276 WeakPolarHBondContact O-CG 3.42Å; F274-Q276 PolarHBondContact O-NE2 3.27Å; F274-Q276 VanDerWaalsContact O-NE2 3.07Å | ||
| 277 | Y | 85.8 | Confident | 84.6 | Confident | 16 Ų | 16 | 50.3 Ų | 50.3 | 6% | 0.063 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 146.2 | 174 | 57.7 | -91.8 | 0 | 0 | 0 | 110.8 | Q243 C244 H255 Q256 V265 G275 | Q243-Y277 HydrophobicContact CB-CD1 3.87Å; Q243-Y277 HydrophobicContact CB-CE1 4.17Å; Q243-Y277 HydrophobicContact CG-CD1 4.38Å; C244-Y277 VanDerWaalsContact SG-CB 3.51Å; H255-Y277 HydrophobicContact CB-CD1 4.35Å; H255-Y277 HydrophobicContact CB-CD2 4.04Å; H255-Y277 HydrophobicContact CB-CE1 4.17Å; H255-Y277 HydrophobicContact CB-CE2 3.87Å; H255-Y277 HydrophobicContact CB-CG 4.3Å; Q256-Y277 WeakPolarHBondContact CB-OH 2.86Å; Q256-Y277 WeakPolarHBondContact CG-OH 3.27Å; Q256-Y277 PolarHBondContact N-OH 3.27Å; V265-Y277 CarbonylContact O-C 3.56Å; V265-Y277 VanDerWaalsContact O-CA 3.22Å; V265-Y277 WeakPolarHBondContact O-CA 3.22Å; G275-Y277 PolarHBondContact O-N 3.37Å |
| 278 | C | 84.2 | Confident | 84.1 | Confident | 22 Ų | 22 | 52.8 Ų | 52.8 | 15% | 0.149 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 139.8 | 169.9 | -55.9 | 0 | 0 | 0 | 0 | 109.6 | V265 V267 C311 | V265-C278 PolarHBondContact N-O 3.38Å; V265-C278 PolarHBondContact O-N 3.36Å; V267-C278 VanDerWaalsContact CG2-SG 3.59Å; C278-C311 HydrophobicContact CB-CB 4.03Å; C278-C311 WeakPolarHBondContact CB-SG 3.33Å; C278-C311 WeakPolarHBondContact SG-CB 3.35Å; C278-C311 CovalentContact SG-SG 2.04Å; C278-C311 PolarHBondContact SG-SG 3.41Å |
| 279 | C | 83.9 | Confident | 83.2 | Confident | 39 Ų | 39 | 54.3 Ų | 54.3 | 26% | 0.264 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 109.8 | 170.3 | -57.4 | 0 | 0 | 0 | 0 | 109.3 | C257 M262 | C257-C279 WeakPolarHBondContact CA-SG 3.49Å; C257-C279 HydrophobicContact CB-CB 3.71Å; C257-C279 WeakPolarHBondContact CB-SG 3.31Å; C257-C279 WeakPolarHBondContact SG-CA 3.36Å; C257-C279 WeakPolarHBondContact SG-CB 3.21Å; C257-C279 CovalentContact SG-SG 2.04Å; C257-C279 PolarHBondContact SG-SG 3.15Å; M262-C279 HydrophobicContact SD-CB 3.94Å |
| 280 | R | 82.2 | Confident | 82.2 | Confident | 164 Ų | 164 | 55.2 Ų | 55.2 | 62% | 0.619 | 27% | 0.266 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 149.1 | -179.7 | 170.7 | 171 | 147.4 | 153.1 | -0.7 | 109.9 | M262 E263 | M262-R280 CarbonylContact C-O 3.54Å; M262-R280 WeakPolarHBondContact CA-O 3.27Å; M262-R280 WeakPolarHBondContact CB-O 3.31Å; E263-R280 HydrophobicContact CG-CB 3.87Å; E263-R280 HydrophobicContact CG-CG 4.1Å; E263-R280 PolarHBondContact N-O 2.91Å; E263-R280 PolarHBondContact O-N 2.88Å; E263-R280 WeakPolarHBondContact OE1-CD 3.35Å; E263-R280 WeakPolarHBondContact OE1-CG 3.45Å; E263-R280 IonicContact OE1-CZ 3.8Å; E263-R280 IonicContact OE1-NE 2.74Å; E263-R280 PolarHBondContact OE1-NE 3.37Å; E263-R280 IonicContact OE1-NH2 3.19Å |
| 281 | C | 84.8 | Confident | 80.6 | Confident | 22 Ų | 22 | 53.1 Ų | 53.1 | 15% | 0.149 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 137.8 | 174.9 | -56 | 0 | 0 | 0 | 0 | 110.9 | C318 | C281-C318 WeakPolarHBondContact CA-SG 3.48Å; C281-C318 HydrophobicContact CB-CB 3.79Å; C281-C318 WeakPolarHBondContact CB-SG 3.48Å; C281-C318 VanDerWaalsContact SG-CA 3.59Å; C281-C318 WeakPolarHBondContact SG-CB 3.45Å; C281-C318 CovalentContact SG-SG 2.04Å; C281-C318 PolarHBondContact SG-SG 3.01Å |
| 282 | K | 84.7 | Confident | 78.8 | Confident | 77 Ų | 77 | 56 Ų | 56 | 34% | 0.335 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 164.1 | 174.9 | -81.7 | 172.5 | 166 | 175.9 | 0 | 112 | R259 S261 M262 E263 Y285 | R259-K282 PolarHBondContact O-NZ 3.21Å; S261-K282 PolarHBondContact O-N 2.87Å; M262-K282 WeakPolarHBondContact O-CE 3.43Å; E263-K282 HydrophobicContact CB-CG 4.16Å; K282-Y285 HydrophobicContact CB-CD2 4.2Å; K282-Y285 WeakPolarHBondContact O-CB 3.34Å; K282-Y285 PolarHBondContact O-N 3.32Å |
| 283 | E | 83.5 | Confident | 76.6 | Confident | 164 Ų | 164 | 63.1 Ų | 63.1 | 77% | 0.766 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | 141.5 | 164.6 | -63.1 | -161.4 | 161.6 | 0 | 0 | 110.8 | Y285 | E283-Y285 VanDerWaalsContact C-N 3.27Å; E283-Y285 PolarHBondContact O-N 3.18Å |
| 284 | G | 81.6 | Confident | 74.7 | Confident | 26 Ų | 26 | 62.5 Ų | 62.5 | 27% | 0.268 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.4 | 5.7 | -170.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | C321 K326 | G284-C321 WeakPolarHBondContact O-CB 3.02Å; G284-C321 PolarHBondContact O-N 3.29Å; G284-K326 PolarHBondContact N-O 3.28Å |
| 285 | Y | 84.4 | Confident | 72.7 | Confident | 79 Ų | 79 | 63.3 Ų | 63.3 | 31% | 0.31 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 155.9 | 172.7 | -65.5 | -96.4 | 0 | 0 | 0 | 112.2 | S261 K282 E283 L319 P320 | S261-Y285 VanDerWaalsContact CB-CD1 3.43Å; S261-Y285 VanDerWaalsContact CB-CE1 3.49Å; K282-Y285 HydrophobicContact CB-CD2 4.2Å; K282-Y285 WeakPolarHBondContact O-CB 3.34Å; K282-Y285 PolarHBondContact O-N 3.32Å; E283-Y285 VanDerWaalsContact C-N 3.27Å; E283-Y285 PolarHBondContact O-N 3.18Å; Y285-L319 CarbonylContact C-O 3.55Å; Y285-L319 WeakPolarHBondContact CA-O 3.32Å; Y285-L319 WeakPolarHBondContact CB-O 3.35Å; Y285-L319 WeakPolarHBondContact CD1-O 3.07Å; Y285-P320 HydrophobicContact CD1-CB 4.24Å; Y285-P320 HydrophobicContact CE1-CB 4.02Å |
| 286 | Y | 82 | Confident | 70.6 | Confident | 23 Ų | 23 | 69.5 Ų | 69.5 | 9% | 0.09 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 158 | 178.2 | 77.1 | -79.7 | 0 | 0 | 0 | 112.5 | P288 C318 L319 C328 R329 S331 | Y286-P288 HydrophobicContact CE2-CB 4.05Å; Y286-C318 CarbonylContact O-C 3.52Å; Y286-C318 VanDerWaalsContact O-CA 3.3Å; Y286-C318 WeakPolarHBondContact O-CA 3.45Å; Y286-L319 HydrophobicContact CD1-CB 4.08Å; Y286-L319 WeakPolarHBondContact CD1-O 3.06Å; Y286-L319 HydrophobicContact CE1-CB 3.62Å; Y286-L319 PolarHBondContact N-O 3.03Å; Y286-L319 PolarHBondContact O-N 3.13Å; Y286-C328 WeakPolarHBondContact CB-O 3.39Å; Y286-C328 WeakPolarHBondContact CD1-SG 3.4Å; Y286-R329 WeakPolarHBondContact CD2-O 3.26Å; Y286-S331 PolarHBondContact OH-N 3.05Å |
| 287 | N | 81.3 | Confident | 68.3 | Low | 19 Ų | 19 | 74.1 Ų | 74.1 | 10% | 0.102 | 38% | 0.378 | C | S | . | . | trans | -102.9 | 116 | 173.9 | -175.5 | 11.5 | 0 | 0 | 0 | 109.8 | E289 I290 Y316 | N287-E289 PolarHBondContact O-N 3.17Å; N287-E289 PolarHBondContact OD1-N 3.04Å; N287-I290 HydrophobicContact CB-CD1 4.02Å; N287-I290 HydrophobicContact CB-CG1 4.23Å; N287-Y316 WeakPolarHBondContact ND2-CD1 3.44Å; N287-Y316 VanDerWaalsContact ND2-CG 3.3Å | ||
| 288 | P | 74.1 | Confident | 66.1 | Low | 64 Ų | 64 | 77.3 Ų | 77.3 | 42% | 0.416 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -10.9 | -179.8 | 30.5 | -36.8 | 0 | 0 | 0 | 114.2 | Y286 K317 L319 | Y286-P288 HydrophobicContact CE2-CB 4.05Å; P288-K317 WeakPolarHBondContact CD-O 3.37Å; P288-L319 HydrophobicContact CB-CD1 4.45Å; P288-L319 HydrophobicContact CG-CD1 4Å |
| 289 | E | 66.8 | Low | 64 | Low | 118 Ų | 118 | 86.4 Ų | 86.4 | 55% | 0.551 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -0.2 | -176 | -68 | 165.5 | 176 | 0 | 0 | 113.2 | N287 Y316 | N287-E289 PolarHBondContact O-N 3.17Å; N287-E289 PolarHBondContact OD1-N 3.04Å; E289-Y316 HydrophobicContact CB-CD1 4.46Å; E289-Y316 VanDerWaalsContact OE2-CD1 3.31Å; E289-Y316 WeakPolarHBondContact OE2-CD1 3.46Å |
| 290 | I | 63.7 | Low | 61.7 | Low | 93 Ų | 93 | 93.6 Ų | 93.6 | 48% | 0.477 | 47% | 0.468 | S | S | . | . | trans | -95.7 | 117 | 177.5 | -60 | 176.4 | 0 | 0 | 0 | 110.2 | N287 | N287-I290 HydrophobicContact CB-CD1 4.02Å; N287-I290 HydrophobicContact CB-CG1 4.23Å | ||
| 291 | S | 50.3 | Low | 59.4 | Low | 50 Ų | 50 | 91.6 Ų | 91.6 | 35% | 0.35 | 47% | 0.47 | S | S | . | . | trans | -73.6 | 163.2 | -178.5 | 86.7 | 0 | 0 | 0 | 0 | 112.4 | E293 | S291-E293 VanDerWaalsContact C-N 3.34Å; S291-E293 PolarHBondContact O-N 2.94Å | ||
| 292 | P | 48 | Very low | 57 | Low | 64 Ų | 64 | 99 Ų | 99 | 42% | 0.416 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -53.6 | -45.4 | 176 | 10.1 | -23.5 | 0 | 0 | 0 | 114.7 | D294 S295 R329 | P292-D294 PolarHBondContact O-N 2.93Å; P292-S295 WeakPolarHBondContact O-CB 3.39Å; P292-S295 PolarHBondContact O-N 3.31Å; P292-S295 PolarHBondContact O-OG 2.92Å; P292-R329 VanDerWaalsContact CA-CZ 3.49Å |
| 293 | E | 45.3 | Very low | 54.9 | Low | 153 Ų | 153 | 104.9 Ų | 104.9 | 72% | 0.715 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -71 | -32.1 | -161 | -62.4 | 173.3 | 161.9 | 0 | 0 | 112.1 | S291 S295 I297 | S291-E293 VanDerWaalsContact C-N 3.34Å; S291-E293 PolarHBondContact O-N 2.94Å; E293-S295 PolarHBondContact O-N 3.29Å; E293-I297 WeakPolarHBondContact O-CD1 3.43Å; E293-I297 WeakPolarHBondContact O-CG1 3.39Å |
| 294 | D | 46.4 | Very low | 52.7 | Low | 65 Ų | 65 | 104.2 Ų | 104.2 | 35% | 0.348 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.6 | -25.2 | 172.1 | -76.3 | -50 | 0 | 0 | 0 | 113.7 | P292 K310 | P292-D294 PolarHBondContact O-N 2.93Å; D294-K310 IonicContact OD1-NZ 3.57Å; D294-K310 PolarHBondContact OD1-NZ 3.33Å; D294-K310 IonicContact OD2-NZ 3.93Å; D294-K310 PolarHBondContact OD2-NZ 3.47Å |
| 295 | S | 46.9 | Very low | 50.5 | Low | 45 Ų | 45 | 113.8 Ų | 113.8 | 32% | 0.315 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -88.3 | -19.5 | -167.5 | 72.4 | 0 | 0 | 0 | 0 | 114.9 | P292 E293 | P292-S295 WeakPolarHBondContact O-CB 3.39Å; P292-S295 PolarHBondContact O-N 3.31Å; P292-S295 PolarHBondContact O-OG 2.92Å; E293-S295 PolarHBondContact O-N 3.29Å |
| 296 | E | 37.2 | Very low | 48.5 | Very low | 143 Ų | 143 | 116.5 Ų | 116.5 | 67% | 0.668 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -94.3 | -35.1 | 178.1 | -62.7 | -165.3 | 136.4 | 0 | 0 | 112.2 | A298 R299 | E296-A298 PolarHBondContact O-N 3.07Å; E296-R299 PolarHBondContact O-N 3.41Å |
| 297 | I | 37.3 | Very low | 46.6 | Very low | 110 Ų | 110 | 118.9 Ų | 118.9 | 56% | 0.564 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -54.6 | -38.3 | 172 | -62.1 | 170.5 | 0 | 0 | 0 | 110.7 | E293 R299 E300 D301 | E293-I297 WeakPolarHBondContact O-CD1 3.43Å; E293-I297 WeakPolarHBondContact O-CG1 3.39Å; I297-R299 PolarHBondContact O-N 3.39Å; I297-E300 PolarHBondContact O-N 3.47Å; I297-D301 PolarHBondContact O-N 2.99Å |
| 298 | A | 40.1 | Very low | 45 | Very low | 83 Ų | 83 | 122.6 Ų | 122.6 | 69% | 0.686 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -66.5 | 1.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | E296 | E296-A298 PolarHBondContact O-N 3.07Å |
| 299 | R | 40.5 | Very low | 43.6 | Very low | 214 Ų | 214 | 127.4 Ų | 127.4 | 81% | 0.808 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -110.3 | -24 | 178.3 | -76.1 | -175.1 | 170.6 | 163 | 0.7 | 115.6 | E296 I297 | E296-R299 PolarHBondContact O-N 3.41Å; I297-R299 PolarHBondContact O-N 3.39Å |
| 300 | E | 34.9 | Very low | 42.7 | Very low | 190 Ų | 190 | 127.1 Ų | 127.1 | 89% | 0.888 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -108.4 | -24.5 | 179.1 | -66.3 | -161.2 | 124.1 | 0 | 0 | 113.5 | I297 | I297-E300 PolarHBondContact O-N 3.47Å |
| 301 | D | 33.1 | Very low | 42.4 | Very low | 122 Ų | 122 | 124.9 Ų | 124.9 | 65% | 0.652 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -83.2 | 147.7 | -177.5 | -114 | -43.6 | 0 | 0 | 0 | 115 | I297 | I297-D301 PolarHBondContact O-N 2.99Š|
| 302 | K | 35.4 | Very low | 42.3 | Very low | 177 Ų | 177 | 129.9 Ų | 129.9 | 77% | 0.77 | 63% | 0.634 | S | S | * | * | trans | -64 | 155.1 | -157.8 | -68.5 | 153 | -176.1 | 154.6 | 0 | 114.9 | ||||
| 303 | K | 41 | Very low | 42.5 | Very low | 200 Ų | 200 | 133.3 Ų | 133.3 | 87% | 0.87 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -41.8 | 140.9 | 162.5 | -65.9 | 178.8 | 176.5 | 178.8 | 0 | 111.9 | ||
| 304 | N | 35.3 | Very low | 42.8 | Very low | 150 Ų | 150 | 132.3 Ų | 132.3 | 80% | 0.802 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 91.2 | -2 | 165.6 | -56.5 | 5.4 | 0 | 0 | 0 | 119.4 | ||
| 305 | Y | 36.4 | Very low | 43.1 | Very low | 227 Ų | 227 | 137.6 Ų | 137.6 | 89% | 0.89 | 65% | 0.654 | S | S | * | * | trans | -136.2 | 56.9 | 172.8 | -106.9 | -89.3 | 0 | 0 | 0 | 113.6 | ||||
| 306 | I | 42.4 | Very low | 44 | Very low | 137 Ų | 137 | 138.1 Ų | 138.1 | 70% | 0.703 | 65% | 0.65 | S | S | * | * | trans | -65.2 | 140.9 | 163.6 | -63.4 | 176.1 | 0 | 0 | 0 | 108.5 | F308 | I306-F308 VanDerWaalsContact C-N 3.33Å; I306-F308 VanDerWaalsContact O-CD2 3.24Å; I306-F308 WeakPolarHBondContact O-CD2 3.45Å; I306-F308 PolarHBondContact O-N 3.21Å | ||
| 307 | S | 42.5 | Very low | 45.7 | Very low | 73 Ų | 73 | 138.7 Ų | 138.7 | 51% | 0.51 | 65% | 0.65 | S | S | . | * | trans | -70.6 | 76.8 | -175.2 | 44.7 | 0 | 0 | 0 | 0 | 113.5 | E309 K310 | S307-E309 PolarHBondContact O-N 3.12Å; S307-K310 PolarHBondContact O-N 3.39Å | ||
| 308 | F | 47.9 | Very low | 47.9 | Very low | 96 Ų | 96 | 134 Ų | 134 | 42% | 0.421 | 63% | 0.627 | S | S | . | * | G | 310 helix | trans | -55.7 | -12.5 | 171.1 | -74.9 | -77.9 | 0 | 0 | 0 | 114.5 | V267 I306 K310 | V267-F308 HydrophobicContact CG1-CD1 3.72Å; V267-F308 HydrophobicContact CG1-CE1 3.97Å; V267-F308 HydrophobicContact CG2-CD1 4.17Å; V267-F308 HydrophobicContact CG2-CE1 4.28Å; I306-F308 VanDerWaalsContact C-N 3.33Å; I306-F308 VanDerWaalsContact O-CD2 3.24Å; I306-F308 WeakPolarHBondContact O-CD2 3.45Å; I306-F308 PolarHBondContact O-N 3.21Å; F308-K310 VanDerWaalsContact C-N 3.3Å |
| 309 | E | 44.1 | Very low | 50.1 | Low | 165 Ų | 165 | 133.6 Ų | 133.6 | 77% | 0.771 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -66.9 | -25.8 | 171.9 | -158.7 | 161.7 | -146 | 0 | 0 | 112.7 | S307 C311 | S307-E309 PolarHBondContact O-N 3.12Å; E309-C311 PolarHBondContact O-N 3.19Å |
| 310 | K | 48.8 | Very low | 52.3 | Low | 113 Ų | 113 | 127.3 Ų | 127.3 | 49% | 0.491 | 60% | 0.6 | S | S | . | * | G | 310 helix | trans | -86.1 | 11.4 | 179.3 | -85 | -173.4 | 174.4 | 179 | 0 | 115.6 | D294 S307 F308 Y316 | D294-K310 IonicContact OD1-NZ 3.57Å; D294-K310 PolarHBondContact OD1-NZ 3.33Å; D294-K310 IonicContact OD2-NZ 3.93Å; D294-K310 PolarHBondContact OD2-NZ 3.47Å; S307-K310 PolarHBondContact O-N 3.39Å; F308-K310 VanDerWaalsContact C-N 3.3Å; K310-Y316 PolarHBondContact O-OH 3.39Å; K310-Y316 VanDerWaalsContact O-OH 3.06Å |
| 311 | C | 56.4 | Low | 54.7 | Low | 46 Ų | 46 | 119.1 Ų | 119.1 | 31% | 0.311 | 56% | 0.563 | S | S | . | * | G | 310 helix | trans | -96 | 0.3 | 172.9 | -68.2 | 0 | 0 | 0 | 0 | 114.8 | C278 E309 E313 | C278-C311 HydrophobicContact CB-CB 4.03Å; C278-C311 WeakPolarHBondContact CB-SG 3.33Å; C278-C311 WeakPolarHBondContact SG-CB 3.35Å; C278-C311 CovalentContact SG-SG 2.04Å; C278-C311 PolarHBondContact SG-SG 3.41Å; E309-C311 PolarHBondContact O-N 3.19Å; C311-E313 PolarHBondContact O-N 3.46Å |
| 312 | E | 49.3 | Very low | 57 | Low | 155 Ų | 155 | 117.1 Ų | 117.1 | 72% | 0.724 | 55% | 0.546 | S | S | * | . | trans | -73.3 | -21.8 | -172.2 | -72.2 | -157.2 | 131.6 | 0 | 0 | 115.1 | R314 | E312-R314 PolarHBondContact O-N 2.92Š| ||
| 313 | E | 51.3 | Low | 59 | Low | 135 Ų | 135 | 112.6 Ų | 112.6 | 63% | 0.631 | 54% | 0.535 | S | S | * | . | trans | -88.3 | 92.9 | -180 | -61.6 | -151.7 | 125.3 | 0 | 0 | 112.8 | C311 K315 Y316 | C311-E313 PolarHBondContact O-N 3.46Å; E313-K315 PolarHBondContact O-N 3.48Å; E313-Y316 HydrophobicContact CB-CE1 4.37Å; E313-Y316 WeakPolarHBondContact O-CE2 3.5Å | ||
| 314 | R | 51 | Low | 60.5 | Low | 133 Ų | 133 | 104.9 Ų | 104.9 | 50% | 0.502 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | 38.2 | 179.6 | -52.8 | -173.2 | -169.7 | 175.3 | 7.2 | 115 | E312 | E312-R314 PolarHBondContact O-N 2.92Š|
| 315 | K | 54.4 | Low | 62.7 | Low | 176 Ų | 176 | 98.2 Ų | 98.2 | 77% | 0.765 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.4 | -3.5 | -170.9 | -75.4 | -174.2 | 179.6 | 173.4 | 0 | 116.4 | E313 K317 | E313-K315 PolarHBondContact O-N 3.48Å; K315-K317 PolarHBondContact O-N 2.96Å |
| 316 | Y | 63.9 | Low | 64.6 | Low | 55 Ų | 55 | 95.4 Ų | 95.4 | 22% | 0.216 | 47% | 0.47 | C | S | . | . | trans | -49.7 | 124.7 | 178.4 | -55.5 | -46.7 | 0 | 0 | 0 | 112.4 | M262 N287 E289 K310 E313 | M262-Y316 WeakPolarHBondContact CE-O 3.21Å; N287-Y316 WeakPolarHBondContact ND2-CD1 3.44Å; N287-Y316 VanDerWaalsContact ND2-CG 3.3Å; E289-Y316 HydrophobicContact CB-CD1 4.46Å; E289-Y316 VanDerWaalsContact OE2-CD1 3.31Å; E289-Y316 WeakPolarHBondContact OE2-CD1 3.46Å; K310-Y316 PolarHBondContact O-OH 3.39Å; K310-Y316 VanDerWaalsContact O-OH 3.06Å; E313-Y316 HydrophobicContact CB-CE1 4.37Å; E313-Y316 WeakPolarHBondContact O-CE2 3.5Å | ||
| 317 | K | 73.8 | Confident | 66.2 | Low | 155 Ų | 155 | 93.6 Ų | 93.6 | 67% | 0.674 | 47% | 0.469 | S | S | * | . | trans | -100.1 | 93.8 | 175.8 | -73.3 | 179.9 | -178.7 | 172.4 | 0 | 110 | P288 K315 L319 | P288-K317 WeakPolarHBondContact CD-O 3.37Å; K315-K317 PolarHBondContact O-N 2.96Å; K317-L319 PolarHBondContact O-N 3.48Å; K317-L319 VanDerWaalsContact O-N 3.11Å | ||
| 318 | C | 84.3 | Confident | 67.7 | Low | 12 Ų | 12 | 91.2 Ų | 91.2 | 8% | 0.081 | 45% | 0.453 | C | S | . | . | trans | -62.6 | 111.5 | 174.1 | -63.2 | 0 | 0 | 0 | 0 | 111.2 | M262 C281 Y286 | M262-C318 HydrophobicContact CE-CB 4.46Å; M262-C318 HydrophobicContact CG-CB 4.39Å; C281-C318 WeakPolarHBondContact CA-SG 3.48Å; C281-C318 HydrophobicContact CB-CB 3.79Å; C281-C318 WeakPolarHBondContact CB-SG 3.48Å; C281-C318 VanDerWaalsContact SG-CA 3.59Å; C281-C318 WeakPolarHBondContact SG-CB 3.45Å; C281-C318 CovalentContact SG-SG 2.04Å; C281-C318 PolarHBondContact SG-SG 3.01Å; Y286-C318 CarbonylContact O-C 3.52Å; Y286-C318 VanDerWaalsContact O-CA 3.3Å; Y286-C318 WeakPolarHBondContact O-CA 3.45Å | ||
| 319 | L | 85.1 | Confident | 68.9 | Low | 75 Ų | 75 | 92.4 Ų | 92.4 | 39% | 0.393 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 148.1 | 177.6 | -67.9 | 176.5 | 0 | 0 | 0 | 110.5 | Y285 Y286 P288 K317 | Y285-L319 CarbonylContact C-O 3.55Å; Y285-L319 WeakPolarHBondContact CA-O 3.32Å; Y285-L319 WeakPolarHBondContact CB-O 3.35Å; Y285-L319 WeakPolarHBondContact CD1-O 3.07Å; Y286-L319 HydrophobicContact CD1-CB 4.08Å; Y286-L319 WeakPolarHBondContact CD1-O 3.06Å; Y286-L319 HydrophobicContact CE1-CB 3.62Å; Y286-L319 PolarHBondContact N-O 3.03Å; Y286-L319 PolarHBondContact O-N 3.13Å; P288-L319 HydrophobicContact CB-CD1 4.45Å; P288-L319 HydrophobicContact CG-CD1 4Å; K317-L319 PolarHBondContact O-N 3.48Å; K317-L319 VanDerWaalsContact O-N 3.11Å |
| 320 | P | 86.8 | Confident | 70.3 | Confident | 82 Ų | 82 | 88.1 Ų | 88.1 | 53% | 0.532 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 141.2 | 177.5 | 29 | -34.6 | 0 | 0 | 0 | 111.1 | Y285 | Y285-P320 HydrophobicContact CD1-CB 4.24Å; Y285-P320 HydrophobicContact CE1-CB 4.02Å |
| 321 | C | 85.8 | Confident | 71.4 | Confident | 17 Ų | 17 | 86.5 Ų | 86.5 | 12% | 0.115 | 44% | 0.439 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 160.8 | 170.3 | -74.2 | 0 | 0 | 0 | 0 | 111.9 | G284 C325 C328 | G284-C321 WeakPolarHBondContact O-CB 3.02Å; G284-C321 PolarHBondContact O-N 3.29Å; C321-C325 HydrophobicContact CB-CB 4.3Å; C321-C328 WeakPolarHBondContact CA-SG 3.4Å; C321-C328 HydrophobicContact CB-CB 3.86Å; C321-C328 WeakPolarHBondContact CB-SG 3.34Å; C321-C328 WeakPolarHBondContact SG-CB 3.4Å; C321-C328 PolarHBondContact SG-N 2.92Å; C321-C328 VanDerWaalsContact SG-N 3.35Å; C321-C328 CovalentContact SG-SG 2.04Å; C321-C328 PolarHBondContact SG-SG 2.93Å |
| 322 | W | 80.9 | Confident | 72.3 | Confident | 80 Ų | 80 | 88.3 Ų | 88.3 | 30% | 0.303 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -60.3 | 141.9 | 171.1 | -157.3 | 95.1 | 0 | 0 | 0 | 110.1 | G324 C325 P333 T489 G493 | W322-G324 PolarHBondContact O-N 3.27Å; W322-C325 VanDerWaalsContact O-CB 3.31Å; W322-C325 WeakPolarHBondContact O-CB 3.48Å; W322-C325 PolarHBondContact O-N 3.02Å; W322-C325 PolarHBondContact O-SG 3.48Å; W322-P333 HydrophobicContact CD2-CB 3.7Å; W322-P333 HydrophobicContact CE3-CB 3.95Å; W322-P333 HydrophobicContact CG-CB 4.11Å; W322-P333 HydrophobicContact CZ2-CB 4.31Å; W322-P333 HydrophobicContact CZ3-CB 4.37Å; W322-T489 HydrophobicContact CH2-CG2 3.9Å; W322-G493 VanDerWaalsContact CH2-O 3.28Å; W322-G493 WeakPolarHBondContact CH2-O 3.15Å; W322-G493 VanDerWaalsContact CZ3-C 3.5Å; W322-G493 WeakPolarHBondContact CZ3-O 3.41Å |
| 323 | P | 77.9 | Confident | 73.5 | Confident | 83 Ų | 83 | 83.8 Ų | 83.8 | 54% | 0.539 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 133.2 | -171.7 | -31 | 37.2 | 0 | 0 | 0 | 115.2 | ||
| 324 | G | 73.1 | Confident | 74.7 | Confident | 37 Ų | 37 | 79 Ų | 79 | 38% | 0.381 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.4 | -6.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | W322 D492 Q494 | W322-G324 PolarHBondContact O-N 3.27Å; G324-D492 WeakPolarHBondContact CA-O 3.1Å; G324-D492 PolarHBondContact N-O 3.05Å; G324-Q494 PolarHBondContact O-NE2 2.8Å |
| 325 | C | 79.9 | Confident | 76 | Confident | 10 Ų | 10 | 80.3 Ų | 80.3 | 7% | 0.068 | 42% | 0.419 | C | S | . | . | trans | -93.1 | 111.2 | -178.7 | -45.7 | 0 | 0 | 0 | 0 | 110.7 | C321 W322 S327 C334 | C321-C325 HydrophobicContact CB-CB 4.3Å; W322-C325 VanDerWaalsContact O-CB 3.31Å; W322-C325 WeakPolarHBondContact O-CB 3.48Å; W322-C325 PolarHBondContact O-N 3.02Å; W322-C325 PolarHBondContact O-SG 3.48Å; C325-S327 VanDerWaalsContact C-N 3.3Å; C325-S327 PolarHBondContact O-N 2.62Å; C325-C334 WeakPolarHBondContact CA-SG 3.28Å; C325-C334 HydrophobicContact CB-CB 3.85Å; C325-C334 WeakPolarHBondContact CB-SG 3.36Å; C325-C334 WeakPolarHBondContact SG-CB 3.45Å; C325-C334 PolarHBondContact SG-N 3.37Å; C325-C334 CovalentContact SG-SG 2.03Å; C325-C334 PolarHBondContact SG-SG 1.82Å | ||
| 326 | K | 76.3 | Confident | 77.1 | Confident | 168 Ų | 168 | 72.6 Ų | 72.6 | 73% | 0.73 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -62.6 | -36.7 | 178.8 | -63.4 | -171.1 | 177.1 | -171.2 | 0 | 113 | G284 | G284-K326 PolarHBondContact N-O 3.28Š|
| 327 | S | 76.8 | Confident | 77.6 | Confident | 100 Ų | 100 | 77.4 Ų | 77.4 | 70% | 0.699 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -142.3 | 142.8 | 172.3 | -179.2 | 0 | 0 | 0 | 0 | 107.8 | C325 | C325-S327 VanDerWaalsContact C-N 3.3Å; C325-S327 PolarHBondContact O-N 2.62Å |
| 328 | C | 74.6 | Confident | 77.8 | Confident | 23 Ų | 23 | 73.4 Ų | 73.4 | 16% | 0.155 | 40% | 0.395 | C | S | . | . | trans | -141.7 | 162.8 | 175.5 | 69.9 | 0 | 0 | 0 | 0 | 108.5 | Y286 C321 | Y286-C328 WeakPolarHBondContact CB-O 3.39Å; Y286-C328 WeakPolarHBondContact CD1-SG 3.4Å; C321-C328 WeakPolarHBondContact CA-SG 3.4Å; C321-C328 HydrophobicContact CB-CB 3.86Å; C321-C328 WeakPolarHBondContact CB-SG 3.34Å; C321-C328 WeakPolarHBondContact SG-CB 3.4Å; C321-C328 PolarHBondContact SG-N 2.92Å; C321-C328 VanDerWaalsContact SG-N 3.35Å; C321-C328 CovalentContact SG-SG 2.04Å; C321-C328 PolarHBondContact SG-SG 2.93Å | ||
| 329 | R | 72.4 | Confident | 77.6 | Confident | 120 Ų | 120 | 77.6 Ų | 77.6 | 45% | 0.453 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -109.1 | -25.4 | 174.1 | -178.7 | 169.3 | 147.1 | -136 | -36.6 | 112.6 | Y286 P292 | Y286-R329 WeakPolarHBondContact CD2-O 3.26Å; P292-R329 VanDerWaalsContact CA-CZ 3.49Å |
| 330 | D | 73.8 | Confident | 77.5 | Confident | 75 Ų | 75 | 82 Ų | 82 | 40% | 0.401 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -139.1 | 171.1 | 177.9 | -66.2 | -75.7 | 0 | 0 | 0 | 108.8 | T332 | D330-T332 HydrophobicContact CB-CG2 4.04Å; D330-T332 PolarHBondContact O-N 3.33Å |
| 331 | S | 71.3 | Confident | 77.6 | Confident | 79 Ų | 79 | 85.6 Ų | 85.6 | 55% | 0.552 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -68.7 | 10.4 | 173.5 | 56.1 | 0 | 0 | 0 | 0 | 114.6 | Y286 | Y286-S331 PolarHBondContact OH-N 3.05Š|
| 332 | T | 75.8 | Confident | 77.6 | Confident | 85 Ų | 85 | 88 Ų | 88 | 52% | 0.521 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 140 | 175.3 | 53.1 | 0 | 0 | 0 | 0 | 111.9 | D330 | D330-T332 HydrophobicContact CB-CG2 4.04Å; D330-T332 PolarHBondContact O-N 3.33Å |
| 333 | P | 73.9 | Confident | 78 | Confident | 60 Ų | 60 | 85.3 Ų | 85.3 | 39% | 0.39 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 135.5 | 175.2 | 28.1 | -34.8 | 0 | 0 | 0 | 111.3 | W322 | W322-P333 HydrophobicContact CD2-CB 3.7Å; W322-P333 HydrophobicContact CE3-CB 3.95Å; W322-P333 HydrophobicContact CG-CB 4.11Å; W322-P333 HydrophobicContact CZ2-CB 4.31Å; W322-P333 HydrophobicContact CZ3-CB 4.37Å |
| 334 | C | 77.9 | Confident | 78.6 | Confident | 35 Ų | 35 | 83.8 Ų | 83.8 | 24% | 0.236 | 44% | 0.442 | C | S | . | . | P | Polyproline II helix | trans | -74.5 | 141.4 | 168.5 | 49.8 | 0 | 0 | 0 | 0 | 110.9 | C325 G495 | C325-C334 WeakPolarHBondContact CA-SG 3.28Å; C325-C334 HydrophobicContact CB-CB 3.85Å; C325-C334 WeakPolarHBondContact CB-SG 3.36Å; C325-C334 WeakPolarHBondContact SG-CB 3.45Å; C325-C334 PolarHBondContact SG-N 3.37Å; C325-C334 CovalentContact SG-SG 2.03Å; C325-C334 PolarHBondContact SG-SG 1.82Å; C334-G495 PolarHBondContact O-N 2.98Å |
| 335 | W | 77 | Confident | 79.5 | Confident | 159 Ų | 159 | 84 Ų | 84 | 60% | 0.602 | 45% | 0.445 | S | S | * | . | B | Isolated β-bridge | trans | -82.6 | 143.4 | 174.9 | -62.4 | 97.9 | 0 | 0 | 0 | 110.8 | Q337 T487 G495 T497 | W335-Q337 PolarHBondContact O-N 2.99Å; W335-T487 HydrophobicContact CH2-CG2 4.07Å; W335-T487 HydrophobicContact CZ3-CG2 4.29Å; W335-G495 WeakPolarHBondContact CA-O 3.39Å; W335-T497 HydrophobicContact CH2-CG2 4.36Å; W335-T497 HydrophobicContact CZ3-CG2 4.02Å |
| 336 | V | 78.4 | Confident | 80.1 | Confident | 14 Ų | 14 | 84.3 Ų | 84.3 | 9% | 0.085 | 45% | 0.446 | C | S | . | . | P | Polyproline II helix | trans | -53.3 | 130.9 | 171.9 | 167.3 | 0 | 0 | 0 | 0 | 110.9 | E338 Q494 G495 F496 H564 P565 | V336-E338 PolarHBondContact O-N 3.33Å; V336-Q494 HydrophobicContact CG2-CB 3.61Å; V336-G495 PolarHBondContact N-O 3.35Å; V336-F496 HydrophobicContact CB-CB 4.22Å; V336-F496 HydrophobicContact CG2-CB 3.95Å; V336-F496 HydrophobicContact CG2-CD1 4.25Å; V336-F496 HydrophobicContact CG2-CG 4.49Å; V336-H564 WeakPolarHBondContact CG1-NE2 3.44Å; V336-P565 HydrophobicContact CG1-CG 4.46Å |
| 337 | Q | 75.1 | Confident | 80.8 | Confident | 156 Ų | 156 | 78.4 Ų | 78.4 | 73% | 0.729 | 42% | 0.423 | S | S | * | . | trans | -82.6 | 110.3 | 177.9 | -176 | 72 | -11 | 0 | 0 | 110.2 | W335 | W335-Q337 PolarHBondContact O-N 2.99Š| ||
| 338 | E | 76.6 | Confident | 81.6 | Confident | 72 Ų | 72 | 76.8 Ų | 76.8 | 34% | 0.336 | 42% | 0.415 | S | S | . | . | trans | -82.2 | 133.6 | -171.3 | -50.3 | -175.1 | 119.1 | 0 | 0 | 112.8 | V336 K340 R343 | V336-E338 PolarHBondContact O-N 3.33Å; E338-K340 PolarHBondContact O-N 3.1Å; E338-R343 VanDerWaalsContact CD-CZ 3.44Å; E338-R343 VanDerWaalsContact CD-NH2 3.3Å; E338-R343 IonicContact OE1-CZ 3.32Å; E338-R343 IonicContact OE1-NH1 2.78Å; E338-R343 PolarHBondContact OE1-NH1 3.41Å; E338-R343 IonicContact OE1-NH2 2.77Å; E338-R343 PolarHBondContact OE1-NH2 2.98Å; E338-R343 IonicContact OE2-CZ 3.6Å; E338-R343 IonicContact OE2-NH1 3.6Å; E338-R343 PolarHBondContact OE2-NH1 2.78Å | ||
| 339 | D | 80.4 | Confident | 82.6 | Confident | 99 Ų | 99 | 79.6 Ų | 79.6 | 53% | 0.529 | 43% | 0.428 | S | S | . | . | trans | -75.2 | 85.6 | -177.8 | -96.3 | -34.5 | 0 | 0 | 0 | 112.5 | L341 L342 R343 D566 | D339-L341 VanDerWaalsContact C-N 3.26Å; D339-L341 PolarHBondContact O-N 3.14Å; D339-L342 HydrophobicContact CB-CB 4.03Å; D339-L342 PolarHBondContact O-N 3.04Å; D339-R343 PolarHBondContact O-N 3.31Å; D339-D566 PolarHBondContact N-OD2 2.77Å | ||
| 340 | K | 83.9 | Confident | 83.6 | Confident | 169 Ų | 169 | 73.9 Ų | 73.9 | 74% | 0.735 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -52.9 | -38.8 | -176 | -63.7 | -180 | -176.3 | 175.4 | 0 | 113.5 | E338 A344 | E338-K340 PolarHBondContact O-N 3.1Å; K340-A344 VanDerWaalsContact O-CB 3.24Å; K340-A344 WeakPolarHBondContact O-CB 3.38Å; K340-A344 PolarHBondContact O-N 2.92Å |
| 341 | L | 87.1 | Confident | 84.6 | Confident | 157 Ų | 157 | 72.2 Ų | 72.2 | 82% | 0.822 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -68.2 | -47.6 | -179.9 | -66.6 | 176.5 | 0 | 0 | 0 | 111.8 | D339 A344 G345 | D339-L341 VanDerWaalsContact C-N 3.26Å; D339-L341 PolarHBondContact O-N 3.14Å; L341-A344 PolarHBondContact O-N 3.47Å; L341-G345 PolarHBondContact O-N 3.06Å |
| 342 | L | 87 | Confident | 85.7 | Confident | 68 Ų | 68 | 72.3 Ų | 72.3 | 36% | 0.356 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.1 | -47.4 | 178.2 | -176.9 | 150 | 0 | 0 | 0 | 110.7 | D339 A344 G345 V346 L570 | D339-L342 HydrophobicContact CB-CB 4.03Å; D339-L342 PolarHBondContact O-N 3.04Å; L342-A344 VanDerWaalsContact C-N 3.34Å; L342-A344 PolarHBondContact O-N 3.26Å; L342-G345 PolarHBondContact O-N 2.83Å; L342-V346 HydrophobicContact CD2-CG2 4.28Å; L342-V346 WeakPolarHBondContact O-CG2 3.45Å; L342-V346 PolarHBondContact O-N 2.92Å; L342-L570 HydrophobicContact CD1-CD1 4.28Å; L342-L570 HydrophobicContact CD2-CD1 4.21Å; L342-L570 HydrophobicContact CD2-CD2 4.14Å; L342-L570 HydrophobicContact CD2-CG 4.15Å |
| 343 | R | 89.4 | Confident | 86.6 | Confident | 22 Ų | 22 | 71.4 Ų | 71.4 | 8% | 0.083 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62 | -38.5 | 177.1 | -68.9 | -169.5 | 175.6 | -174.8 | 10.5 | 113 | E338 D339 L347 Y399 D566 L569 | E338-R343 VanDerWaalsContact CD-CZ 3.44Å; E338-R343 VanDerWaalsContact CD-NH2 3.3Å; E338-R343 IonicContact OE1-CZ 3.32Å; E338-R343 IonicContact OE1-NH1 2.78Å; E338-R343 PolarHBondContact OE1-NH1 3.41Å; E338-R343 IonicContact OE1-NH2 2.77Å; E338-R343 PolarHBondContact OE1-NH2 2.98Å; E338-R343 IonicContact OE2-CZ 3.6Å; E338-R343 IonicContact OE2-NH1 3.6Å; E338-R343 PolarHBondContact OE2-NH1 2.78Å; D339-R343 PolarHBondContact O-N 3.31Å; R343-L347 WeakPolarHBondContact O-CB 3.46Å; R343-L347 PolarHBondContact O-N 3.26Å; R343-Y399 HydrophobicContact CB-CD2 4.23Å; R343-Y399 HydrophobicContact CB-CE2 3.99Å; R343-D566 IonicContact CZ-OD1 3.37Å; R343-D566 IonicContact NE-OD1 2.8Å; R343-D566 PolarHBondContact NE-OD1 2.96Å; R343-D566 IonicContact NH2-OD1 3.14Å; R343-D566 PolarHBondContact NH2-OD1 2.97Å; R343-L569 HydrophobicContact CG-CD2 3.98Å |
| 344 | A | 89.2 | Confident | 87.5 | Confident | 51 Ų | 51 | 69.6 Ų | 69.6 | 42% | 0.421 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.3 | -42 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | K340 L341 L342 L347 A348 | K340-A344 VanDerWaalsContact O-CB 3.24Å; K340-A344 WeakPolarHBondContact O-CB 3.38Å; K340-A344 PolarHBondContact O-N 2.92Å; L341-A344 PolarHBondContact O-N 3.47Å; L342-A344 VanDerWaalsContact C-N 3.34Å; L342-A344 PolarHBondContact O-N 3.26Å; A344-L347 PolarHBondContact O-N 3.46Å; A344-A348 WeakPolarHBondContact O-CB 3.36Å; A344-A348 PolarHBondContact O-N 3.32Å |
| 345 | G | 92.5 | Very high | 88.3 | Confident | 43 Ų | 43 | 74.2 Ų | 74.2 | 44% | 0.443 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.6 | -46.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L341 L342 L347 A348 L349 | L341-G345 PolarHBondContact O-N 3.06Å; L342-G345 PolarHBondContact O-N 2.83Å; G345-L347 PolarHBondContact O-N 3.38Å; G345-A348 PolarHBondContact O-N 3.06Å; G345-L349 WeakPolarHBondContact O-CB 3.45Å; G345-L349 PolarHBondContact O-N 3.02Å |
| 346 | V | 92.5 | Very high | 89.1 | Confident | 15 Ų | 15 | 71.1 Ų | 71.1 | 9% | 0.091 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -58.2 | -46.8 | 174.5 | 169.4 | 0 | 0 | 0 | 0 | 111.2 | L342 L349 Q350 L569 L570 F573 | L342-V346 HydrophobicContact CD2-CG2 4.28Å; L342-V346 WeakPolarHBondContact O-CG2 3.45Å; L342-V346 PolarHBondContact O-N 2.92Å; V346-L349 PolarHBondContact O-N 3.44Å; V346-Q350 WeakPolarHBondContact O-CB 3.26Å; V346-Q350 PolarHBondContact O-N 3.16Å; V346-L569 HydrophobicContact CG1-CD2 4.38Å; V346-L569 HydrophobicContact CG1-CG 4.36Å; V346-L570 HydrophobicContact CG2-CD2 3.94Å; V346-F573 HydrophobicContact CG1-CB 4.19Å; V346-F573 HydrophobicContact CG1-CD2 3.67Å; V346-F573 HydrophobicContact CG1-CE2 4.28Å; V346-F573 HydrophobicContact CG1-CG 4.01Å |
| 347 | L | 91.5 | Very high | 89.8 | Confident | 45 Ų | 45 | 70.8 Ų | 70.8 | 24% | 0.236 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -66.2 | -41.1 | -179.4 | -171 | 70.3 | 0 | 0 | 0 | 112.5 | R343 A344 G345 Q350 G351 F396 Y399 | R343-L347 WeakPolarHBondContact O-CB 3.46Å; R343-L347 PolarHBondContact O-N 3.26Å; A344-L347 PolarHBondContact O-N 3.46Å; G345-L347 PolarHBondContact O-N 3.38Å; L347-Q350 WeakPolarHBondContact O-CB 3.31Å; L347-Q350 PolarHBondContact O-N 3.12Å; L347-G351 PolarHBondContact O-N 2.62Å; L347-F396 HydrophobicContact CD1-CD2 3.63Å; L347-F396 HydrophobicContact CD1-CE2 4.09Å; L347-Y399 HydrophobicContact CB-CD2 4.31Å; L347-Y399 HydrophobicContact CB-CE2 4.47Å; L347-Y399 HydrophobicContact CD1-CD1 4.28Å; L347-Y399 HydrophobicContact CD1-CD2 4.32Å; L347-Y399 HydrophobicContact CD1-CG 3.98Å; L347-Y399 HydrophobicContact CD2-CD1 4.01Å; L347-Y399 HydrophobicContact CD2-CD2 4.13Å; L347-Y399 HydrophobicContact CD2-CE1 3.82Å; L347-Y399 HydrophobicContact CD2-CE2 3.94Å; L347-Y399 HydrophobicContact CD2-CG 4.16Å; L347-Y399 HydrophobicContact CG-CD2 4.5Å |
| 348 | A | 93.9 | Very high | 90.7 | Very high | 65 Ų | 65 | 68.1 Ų | 68.1 | 54% | 0.537 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63 | -46.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | A344 G345 G351 V352 | A344-A348 WeakPolarHBondContact O-CB 3.36Å; A344-A348 PolarHBondContact O-N 3.32Å; G345-A348 PolarHBondContact O-N 3.06Å; A348-G351 PolarHBondContact O-N 3.38Å; A348-V352 WeakPolarHBondContact O-CG2 3.4Å; A348-V352 PolarHBondContact O-N 3.04Å |
| 349 | L | 94.1 | Very high | 91.4 | Very high | 82 Ų | 82 | 67.3 Ų | 67.3 | 43% | 0.429 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.8 | -39.5 | 178.3 | -171.2 | 51.3 | 0 | 0 | 0 | 111.6 | G345 V346 G351 V352 F353 F573 | G345-L349 WeakPolarHBondContact O-CB 3.45Å; G345-L349 PolarHBondContact O-N 3.02Å; V346-L349 PolarHBondContact O-N 3.44Å; L349-G351 VanDerWaalsContact C-N 3.34Å; L349-G351 PolarHBondContact O-N 3.45Å; L349-V352 PolarHBondContact O-N 3.2Å; L349-F353 HydrophobicContact CD1-CD2 4.04Å; L349-F353 HydrophobicContact CD1-CE2 3.77Å; L349-F353 HydrophobicContact CG-CD2 4.37Å; L349-F353 HydrophobicContact CG-CE2 4.27Å; L349-F353 WeakPolarHBondContact O-CD2 3.01Å; L349-F353 PolarHBondContact O-N 3.11Å; L349-F573 HydrophobicContact CB-CE2 4.39Å; L349-F573 HydrophobicContact CB-CZ 4.33Å; L349-F573 HydrophobicContact CD2-CZ 3.73Å; L349-F573 HydrophobicContact CG-CE2 4.4Å; L349-F573 HydrophobicContact CG-CZ 3.97Å |
| 350 | Q | 94.4 | Very high | 91.8 | Very high | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.005 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -57 | -46.5 | 171.3 | -166.6 | 71.5 | 3.9 | 0 | 0 | 111.8 | V346 L347 V352 F353 M354 Y392 V395 H577 | V346-Q350 WeakPolarHBondContact O-CB 3.26Å; V346-Q350 PolarHBondContact O-N 3.16Å; L347-Q350 WeakPolarHBondContact O-CB 3.31Å; L347-Q350 PolarHBondContact O-N 3.12Å; Q350-V352 PolarHBondContact O-N 3.35Å; Q350-F353 PolarHBondContact O-N 3.37Å; Q350-M354 HydrophobicContact CG-SD 4.31Å; Q350-M354 WeakPolarHBondContact O-CG 3.46Å; Q350-M354 PolarHBondContact O-N 2.77Å; Q350-Y392 PolarHBondContact NE2-O 3.42Å; Q350-V395 HydrophobicContact CG-CB 4.34Å; Q350-V395 HydrophobicContact CG-CG1 4.47Å; Q350-H577 CovalentContact OE1-NE2 1.82Å; Q350-H577 PolarHBondContact OE1-NE2 3.49Å |
| 351 | G | 94.3 | Very high | 92.1 | Very high | 39 Ų | 39 | 58.3 Ų | 58.3 | 40% | 0.402 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61 | -41.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L347 A348 L349 M354 F355 | L347-G351 PolarHBondContact O-N 2.62Å; A348-G351 PolarHBondContact O-N 3.38Å; L349-G351 VanDerWaalsContact C-N 3.34Å; L349-G351 PolarHBondContact O-N 3.45Å; G351-M354 PolarHBondContact O-N 3.48Å; G351-F355 WeakPolarHBondContact O-CB 3.49Å; G351-F355 PolarHBondContact O-N 3.14Å |
| 352 | V | 94.9 | Very high | 92.2 | Very high | 81 Ų | 81 | 54.7 Ų | 54.7 | 49% | 0.491 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.5 | -48.4 | 175.8 | 171.5 | 0 | 0 | 0 | 0 | 111.3 | A348 L349 Q350 F355 L356 | A348-V352 WeakPolarHBondContact O-CG2 3.4Å; A348-V352 PolarHBondContact O-N 3.04Å; L349-V352 PolarHBondContact O-N 3.2Å; Q350-V352 PolarHBondContact O-N 3.35Å; V352-F355 PolarHBondContact O-N 3.22Å; V352-L356 HydrophobicContact CG1-CD1 4.04Å; V352-L356 HydrophobicContact CG1-CG 4.48Å; V352-L356 WeakPolarHBondContact O-CG 3.42Å; V352-L356 PolarHBondContact O-N 3.21Å |
| 353 | F | 93.6 | Very high | 92.2 | Very high | 66 Ų | 66 | 54 Ų | 54 | 29% | 0.289 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.7 | -38.1 | 178.8 | -82.8 | -79.4 | 0 | 0 | 0 | 113 | L349 Q350 F355 L356 V357 H577 T581 | L349-F353 HydrophobicContact CD1-CD2 4.04Å; L349-F353 HydrophobicContact CD1-CE2 3.77Å; L349-F353 HydrophobicContact CG-CD2 4.37Å; L349-F353 HydrophobicContact CG-CE2 4.27Å; L349-F353 WeakPolarHBondContact O-CD2 3.01Å; L349-F353 PolarHBondContact O-N 3.11Å; Q350-F353 PolarHBondContact O-N 3.37Å; F353-F355 VanDerWaalsContact C-N 3.35Å; F353-F355 PolarHBondContact O-N 2.84Å; F353-L356 PolarHBondContact O-N 3.47Å; F353-V357 WeakPolarHBondContact O-CG2 3.36Å; F353-V357 PolarHBondContact O-N 3.13Å; F353-H577 WeakPolarHBondContact CB-CE1 3.3Å; F353-H577 AromaticContact CD1-CE1 3.72Å; F353-H577 AromaticContact CD2-CE1 2.66Å; F353-H577 WeakPolarHBondContact CD2-CE1 3.44Å; F353-H577 AromaticContact CD2-ND1 3.75Å; F353-H577 AromaticContact CE2-CE1 3.62Å; F353-H577 AromaticContact CE2-ND1 3.99Å; F353-H577 AromaticContact CG-CE1 2.72Å; F353-H577 WeakPolarHBondContact CG-CE1 3.36Å; F353-H577 AromaticContact CG-ND1 3.96Å; F353-T581 HydrophobicContact CD1-CG2 4.08Å; F353-T581 HydrophobicContact CE1-CG2 3.78Å; F353-T581 HydrophobicContact CZ-CG2 4.34Å |
| 354 | M | 94.4 | Very high | 91.9 | Very high | 23 Ų | 23 | 53.1 Ų | 53.1 | 11% | 0.113 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.2 | -41.3 | 173.1 | -73.1 | -176.7 | 69.3 | 0 | 0 | 112.2 | Q350 G351 V357 F358 L389 Y392 F393 | Q350-M354 HydrophobicContact CG-SD 4.31Å; Q350-M354 WeakPolarHBondContact O-CG 3.46Å; Q350-M354 PolarHBondContact O-N 2.77Å; G351-M354 PolarHBondContact O-N 3.48Å; M354-V357 PolarHBondContact O-N 3.49Å; M354-F358 WeakPolarHBondContact O-CB 3.25Å; M354-F358 PolarHBondContact O-N 3.2Å; M354-L389 HydrophobicContact CB-CD1 4.14Å; M354-L389 HydrophobicContact CE-CD1 4.01Å; M354-L389 HydrophobicContact CG-CD1 4.37Å; M354-Y392 HydrophobicContact CG-CG 4.2Å; M354-F393 HydrophobicContact CE-CD1 3.64Å; M354-F393 HydrophobicContact CE-CD2 3.76Å; M354-F393 HydrophobicContact CE-CE1 3.6Å; M354-F393 HydrophobicContact CE-CE2 3.72Å; M354-F393 HydrophobicContact CE-CG 3.72Å; M354-F393 HydrophobicContact CE-CZ 3.64Å |
| 355 | F | 94.6 | Very high | 91.7 | Very high | 132 Ų | 132 | 56.8 Ų | 56.8 | 58% | 0.579 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -64.3 | -43.7 | 174.9 | -179.6 | -102.7 | 0 | 0 | 0 | 112 | G351 V352 F353 V357 F358 V359 | G351-F355 WeakPolarHBondContact O-CB 3.49Å; G351-F355 PolarHBondContact O-N 3.14Å; V352-F355 PolarHBondContact O-N 3.22Å; F353-F355 VanDerWaalsContact C-N 3.35Å; F353-F355 PolarHBondContact O-N 2.84Å; F355-V357 PolarHBondContact O-N 3.29Å; F355-F358 PolarHBondContact O-N 3.08Å; F355-V359 HydrophobicContact CD1-CG2 4.14Å; F355-V359 HydrophobicContact CD2-CG2 4.39Å; F355-V359 HydrophobicContact CE1-CG2 3.71Å; F355-V359 HydrophobicContact CE2-CG2 3.98Å; F355-V359 HydrophobicContact CG-CG2 4.47Å; F355-V359 HydrophobicContact CZ-CG2 3.62Å; F355-V359 WeakPolarHBondContact O-CG2 3.5Å; F355-V359 PolarHBondContact O-N 2.91Å |
| 356 | L | 92.8 | Very high | 91.2 | Very high | 94 Ų | 94 | 61 Ų | 61 | 49% | 0.492 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.6 | -42 | 175.8 | -71.6 | 171.1 | 0 | 0 | 0 | 112.2 | V352 F353 S360 | V352-L356 HydrophobicContact CG1-CD1 4.04Å; V352-L356 HydrophobicContact CG1-CG 4.48Å; V352-L356 WeakPolarHBondContact O-CG 3.42Å; V352-L356 PolarHBondContact O-N 3.21Å; F353-L356 PolarHBondContact O-N 3.47Å; L356-S360 WeakPolarHBondContact O-CB 3.28Å; L356-S360 PolarHBondContact O-N 2.8Å; L356-S360 PolarHBondContact O-OG 2.93Å |
| 357 | V | 93.1 | Very high | 90.4 | Very high | 7 Ų | 7 | 63.6 Ų | 63.6 | 4% | 0.042 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.9 | -46.7 | 173.7 | 173 | 0 | 0 | 0 | 0 | 111 | F353 M354 F355 V359 S360 M361 L385 L389 Y392 L584 | F353-V357 WeakPolarHBondContact O-CG2 3.36Å; F353-V357 PolarHBondContact O-N 3.13Å; M354-V357 PolarHBondContact O-N 3.49Å; F355-V357 PolarHBondContact O-N 3.29Å; V357-V359 PolarHBondContact O-N 3.24Å; V357-S360 PolarHBondContact O-N 3.42Å; V357-S360 PolarHBondContact O-OG 3.43Å; V357-M361 PolarHBondContact O-N 2.84Å; V357-L385 WeakPolarHBondContact CG1-O 3.46Å; V357-L389 HydrophobicContact CG1-CB 4.01Å; V357-L389 HydrophobicContact CG1-CD1 4.46Å; V357-Y392 HydrophobicContact CG2-CD2 4.24Å; V357-Y392 HydrophobicContact CG2-CE2 3.8Å; V357-L584 HydrophobicContact CG2-CD1 3.73Å |
| 358 | F | 93.5 | Very high | 89.6 | Confident | 99 Ų | 99 | 67.2 Ų | 67.2 | 43% | 0.434 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.4 | -44.3 | 178.4 | -180 | -106.7 | 0 | 0 | 0 | 112.7 | M354 F355 M361 L362 | M354-F358 WeakPolarHBondContact O-CB 3.25Å; M354-F358 PolarHBondContact O-N 3.2Å; F355-F358 PolarHBondContact O-N 3.08Å; F358-M361 WeakPolarHBondContact O-CB 3.46Å; F358-M361 PolarHBondContact O-N 3.39Å; F358-L362 HydrophobicContact CD1-CD1 4.04Å; F358-L362 HydrophobicContact CE1-CD1 3.52Å; F358-L362 HydrophobicContact CE1-CG 4.28Å; F358-L362 HydrophobicContact CZ-CD1 3.87Å; F358-L362 HydrophobicContact CZ-CD2 4.48Å; F358-L362 HydrophobicContact CZ-CG 4.25Å; F358-L362 PolarHBondContact O-N 3.45Å |
| 359 | V | 92.1 | Very high | 88.2 | Confident | 55 Ų | 55 | 71.5 Ų | 71.5 | 33% | 0.333 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.9 | -44 | 173.5 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | F355 V357 M361 L362 V363 | F355-V359 HydrophobicContact CD1-CG2 4.14Å; F355-V359 HydrophobicContact CD2-CG2 4.39Å; F355-V359 HydrophobicContact CE1-CG2 3.71Å; F355-V359 HydrophobicContact CE2-CG2 3.98Å; F355-V359 HydrophobicContact CG-CG2 4.47Å; F355-V359 HydrophobicContact CZ-CG2 3.62Å; F355-V359 WeakPolarHBondContact O-CG2 3.5Å; F355-V359 PolarHBondContact O-N 2.91Å; V357-V359 PolarHBondContact O-N 3.24Å; V359-M361 VanDerWaalsContact C-N 3.27Å; V359-M361 PolarHBondContact O-N 3.46Å; V359-L362 PolarHBondContact O-N 2.78Å; V359-V363 HydrophobicContact CG1-CG2 4.32Å; V359-V363 WeakPolarHBondContact O-CG2 3.47Å; V359-V363 PolarHBondContact O-N 2.74Å |
| 360 | S | 88.7 | Confident | 86.8 | Confident | 36 Ų | 36 | 72.2 Ų | 72.2 | 25% | 0.252 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.5 | -32.5 | 177 | 76.7 | 0 | 0 | 0 | 0 | 112.9 | L356 V357 S364 L385 | L356-S360 WeakPolarHBondContact O-CB 3.28Å; L356-S360 PolarHBondContact O-N 2.8Å; L356-S360 PolarHBondContact O-OG 2.93Å; V357-S360 PolarHBondContact O-N 3.42Å; V357-S360 PolarHBondContact O-OG 3.43Å; S360-S364 VanDerWaalsContact O-CB 3.26Å; S360-S364 WeakPolarHBondContact O-CB 3.48Å; S360-S364 PolarHBondContact O-N 3.47Å; S360-L385 WeakPolarHBondContact OG-CD2 3.36Å |
| 361 | M | 90.3 | Very high | 84.8 | Confident | 43 Ų | 43 | 84.3 Ų | 84.3 | 21% | 0.212 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -68.3 | -44.7 | 174 | -174.2 | -180 | 174.8 | 0 | 0 | 111.3 | V357 F358 V359 S364 Y365 L385 F386 | V357-M361 PolarHBondContact O-N 2.84Å; F358-M361 WeakPolarHBondContact O-CB 3.46Å; F358-M361 PolarHBondContact O-N 3.39Å; V359-M361 VanDerWaalsContact C-N 3.27Å; V359-M361 PolarHBondContact O-N 3.46Å; M361-S364 PolarHBondContact O-N 3.18Å; M361-Y365 WeakPolarHBondContact O-CB 3.49Å; M361-Y365 PolarHBondContact O-N 3.07Å; M361-L385 HydrophobicContact CB-CB 4.17Å; M361-L385 HydrophobicContact CB-CD1 4.43Å; M361-L385 HydrophobicContact CG-CB 4.42Å; M361-F386 HydrophobicContact CE-CB 4.02Å; M361-F386 HydrophobicContact CE-CD2 4.16Å; M361-F386 HydrophobicContact SD-CB 4.25Å |
| 362 | L | 89.3 | Confident | 82.7 | Confident | 81 Ų | 81 | 93.5 Ų | 93.5 | 42% | 0.424 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61.9 | -43.4 | 174 | -72.4 | 175.6 | 0 | 0 | 0 | 112.1 | F358 V359 Y365 Q366 | F358-L362 HydrophobicContact CD1-CD1 4.04Å; F358-L362 HydrophobicContact CE1-CD1 3.52Å; F358-L362 HydrophobicContact CE1-CG 4.28Å; F358-L362 HydrophobicContact CZ-CD1 3.87Å; F358-L362 HydrophobicContact CZ-CD2 4.48Å; F358-L362 HydrophobicContact CZ-CG 4.25Å; F358-L362 PolarHBondContact O-N 3.45Å; V359-L362 PolarHBondContact O-N 2.78Å; L362-Y365 PolarHBondContact O-N 2.04Å; L362-Q366 WeakPolarHBondContact O-CG 3.14Å; L362-Q366 PolarHBondContact O-N 2.98Å |
| 363 | V | 86.4 | Confident | 80.8 | Confident | 54 Ų | 54 | 91.5 Ų | 91.5 | 33% | 0.327 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.7 | -44.9 | 175.9 | 170.7 | 0 | 0 | 0 | 0 | 110.7 | V359 Y365 Q366 H367 | V359-V363 HydrophobicContact CG1-CG2 4.32Å; V359-V363 WeakPolarHBondContact O-CG2 3.47Å; V359-V363 PolarHBondContact O-N 2.74Å; V363-Y365 VanDerWaalsContact C-N 3.32Å; V363-Y365 PolarHBondContact O-N 3.24Å; V363-Q366 PolarHBondContact O-N 2.69Å; V363-H367 PolarHBondContact O-N 2.78Å; V363-H367 PolarHBondContact O-ND1 2.96Å |
| 364 | S | 83.6 | Confident | 79.2 | Confident | 3 Ų | 3 | 97.2 Ų | 97.2 | 2% | 0.021 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -59.9 | -40.8 | 174.3 | -174.6 | 0 | 0 | 0 | 0 | 111.8 | S360 M361 R368 L378 | S360-S364 VanDerWaalsContact O-CB 3.26Å; S360-S364 WeakPolarHBondContact O-CB 3.48Å; S360-S364 PolarHBondContact O-N 3.47Å; M361-S364 PolarHBondContact O-N 3.18Å; S364-R368 PolarHBondContact O-N 3.2Å; S364-L378 WeakPolarHBondContact O-CD2 3.49Å; S364-L378 WeakPolarHBondContact OG-CD1 3.47Å |
| 365 | Y | 84.3 | Confident | 77.3 | Confident | 129 Ų | 129 | 98.9 Ų | 98.9 | 51% | 0.506 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66.5 | -43.1 | 176.4 | -176.1 | -90.3 | 0 | 0 | 0 | 112.4 | M361 L362 V363 H367 R368 | M361-Y365 WeakPolarHBondContact O-CB 3.49Å; M361-Y365 PolarHBondContact O-N 3.07Å; L362-Y365 PolarHBondContact O-N 2.04Å; V363-Y365 VanDerWaalsContact C-N 3.32Å; V363-Y365 PolarHBondContact O-N 3.24Å; Y365-H367 PolarHBondContact O-N 3.35Å; Y365-R368 WeakPolarHBondContact O-CB 3.28Å; Y365-R368 PolarHBondContact O-N 3.04Å |
| 366 | Q | 83.5 | Confident | 75.7 | Confident | 130 Ų | 130 | 94.4 Ų | 94.4 | 61% | 0.607 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -62.7 | -41.7 | 176.4 | -73.3 | 177 | -2.9 | 0 | 0 | 112.1 | L362 V363 R368 Q369 | L362-Q366 WeakPolarHBondContact O-CG 3.14Å; L362-Q366 PolarHBondContact O-N 2.98Å; V363-Q366 PolarHBondContact O-N 2.69Å; Q366-R368 PolarHBondContact O-N 3.19Å; Q366-R368 VanDerWaalsContact O-N 3.11Å; Q366-Q369 PolarHBondContact O-N 3.18Å |
| 367 | H | 74.4 | Confident | 74.7 | Confident | 71 Ų | 71 | 92.1 Ų | 92.1 | 33% | 0.329 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.6 | -15.6 | 178.7 | -77.3 | 74.2 | 0 | 0 | 0 | 113.6 | V363 Y365 Q369 N370 | V363-H367 PolarHBondContact O-N 2.78Å; V363-H367 PolarHBondContact O-ND1 2.96Å; Y365-H367 PolarHBondContact O-N 3.35Å; H367-Q369 PolarHBondContact O-N 3.33Å; H367-N370 PolarHBondContact O-N 3.42Å |
| 368 | R | 74.7 | Confident | 74.1 | Confident | 120 Ų | 120 | 92.3 Ų | 92.3 | 45% | 0.453 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -24.7 | 175.4 | -170.1 | 172.2 | 161.9 | 171.4 | -11.5 | 113.9 | S364 Y365 Q366 L378 E382 | S364-R368 PolarHBondContact O-N 3.2Å; Y365-R368 WeakPolarHBondContact O-CB 3.28Å; Y365-R368 PolarHBondContact O-N 3.04Å; Q366-R368 PolarHBondContact O-N 3.19Å; Q366-R368 VanDerWaalsContact O-N 3.11Å; R368-L378 VanDerWaalsContact CA-CD2 3.41Å; R368-L378 HydrophobicContact CB-CD2 3.74Å; R368-L378 HydrophobicContact CG-CD2 4.33Å; R368-E382 IonicContact CZ-OE2 3.62Å; R368-E382 IonicContact NH1-OE1 2.69Å; R368-E382 PolarHBondContact NH1-OE1 2.96Å; R368-E382 IonicContact NH1-OE2 3.57Å; R368-E382 PolarHBondContact NH1-OE2 3.39Å |
| 369 | Q | 64.4 | Low | 73.6 | Confident | 156 Ų | 156 | 89.7 Ų | 89.7 | 73% | 0.729 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -24.1 | 174.9 | -62.2 | -67.5 | -0.8 | 0 | 0 | 112.4 | Q366 H367 R371 | Q366-Q369 PolarHBondContact O-N 3.18Å; H367-Q369 PolarHBondContact O-N 3.33Å; Q369-R371 PolarHBondContact O-N 3.45Å |
| 370 | N | 64.9 | Low | 73.3 | Confident | 97 Ų | 97 | 87.7 Ų | 87.7 | 52% | 0.519 | 41% | 0.407 | S | S | . | . | trans | -81.7 | 104.1 | -179 | -79.6 | -31.4 | 0 | 0 | 0 | 111 | H367 R372 I373 | H367-N370 PolarHBondContact O-N 3.42Å; N370-R372 PolarHBondContact O-N 2.96Å; N370-I373 PolarHBondContact O-N 3.04Å | ||
| 371 | R | 52.2 | Low | 73.2 | Confident | 254 Ų | 254 | 86.1 Ų | 86.1 | 96% | 0.958 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | -7.1 | -179.3 | -78.8 | -172.1 | 173.3 | -169.9 | -0.9 | 117.1 | Q369 | Q369-R371 PolarHBondContact O-N 3.45Š|
| 372 | R | 51.6 | Low | 73.2 | Confident | 232 Ų | 232 | 85.6 Ų | 85.6 | 88% | 0.875 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -27.5 | -177.3 | -56.9 | -173.2 | -165.4 | 173.5 | 6.5 | 113.4 | N370 | N370-R372 PolarHBondContact O-N 2.96Š|
| 373 | I | 55.1 | Low | 73.3 | Confident | 39 Ų | 39 | 83 Ų | 83 | 20% | 0.2 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -96.9 | 133.7 | 179.9 | -57.9 | 177.7 | 0 | 0 | 0 | 109.5 | N370 A375 | N370-I373 PolarHBondContact O-N 3.04Å; I373-A375 VanDerWaalsContact C-N 3.32Å; I373-A375 PolarHBondContact O-N 2.94Å |
| 374 | R | 59.4 | Low | 73.6 | Confident | 186 Ų | 186 | 80.9 Ų | 80.9 | 70% | 0.702 | 37% | 0.367 | S | S | * | . | trans | -64.3 | 81.4 | -177.8 | -170.6 | 178.6 | -174.9 | 169.9 | 3.9 | 111.9 | S376 S377 | R374-S376 PolarHBondContact O-N 3.27Å; R374-S377 PolarHBondContact O-N 3.42Å; R374-S377 PolarHBondContact O-OG 2.99Å; R374-S377 VanDerWaalsContact O-OG 3.05Å | ||
| 375 | A | 55.5 | Low | 74.1 | Confident | 59 Ų | 59 | 80.8 Ų | 80.8 | 49% | 0.488 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -38.4 | -33.6 | -166.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | I373 S377 L378 L379 | I373-A375 VanDerWaalsContact C-N 3.32Å; I373-A375 PolarHBondContact O-N 2.94Å; A375-S377 PolarHBondContact O-N 3.48Å; A375-L378 PolarHBondContact O-N 2.84Å; A375-L378 VanDerWaalsContact O-N 3.15Å; A375-L379 PolarHBondContact O-N 3.45Å |
| 376 | S | 60.7 | Low | 74.6 | Confident | 37 Ų | 37 | 79.1 Ų | 79.1 | 26% | 0.259 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -45.1 | -35.7 | 167 | 159.6 | 0 | 0 | 0 | 0 | 115.6 | R374 S449 | R374-S376 PolarHBondContact O-N 3.27Å; S376-S449 PolarHBondContact O-OG 3.17Å; S376-S449 PolarHBondContact OG-OG 2.88Å |
| 377 | S | 71.8 | Confident | 75.1 | Confident | 46 Ų | 46 | 72.9 Ų | 72.9 | 32% | 0.322 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -90 | -21.5 | -178.3 | 62.7 | 0 | 0 | 0 | 0 | 113.6 | R374 A375 L381 | R374-S377 PolarHBondContact O-N 3.42Å; R374-S377 PolarHBondContact O-OG 2.99Å; R374-S377 VanDerWaalsContact O-OG 3.05Å; A375-S377 PolarHBondContact O-N 3.48Å; S377-L381 PolarHBondContact O-N 3.48Å |
| 378 | L | 79.1 | Confident | 76.1 | Confident | 11 Ų | 11 | 69.5 Ų | 69.5 | 6% | 0.058 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -80.4 | -41.4 | -178.9 | -166.4 | 72.4 | 0 | 0 | 0 | 111.1 | S364 R368 A375 L380 L381 E382 | S364-L378 WeakPolarHBondContact O-CD2 3.49Å; S364-L378 WeakPolarHBondContact OG-CD1 3.47Å; R368-L378 VanDerWaalsContact CA-CD2 3.41Å; R368-L378 HydrophobicContact CB-CD2 3.74Å; R368-L378 HydrophobicContact CG-CD2 4.33Å; A375-L378 PolarHBondContact O-N 2.84Å; A375-L378 VanDerWaalsContact O-N 3.15Å; L378-L380 VanDerWaalsContact C-N 3.27Å; L378-L380 PolarHBondContact O-N 3.36Å; L378-L381 CarbonylContact O-C 3.58Å; L378-L381 WeakPolarHBondContact O-CA 3.31Å; L378-L381 WeakPolarHBondContact O-CB 3.45Å; L378-L381 PolarHBondContact O-N 3.23Å; L378-E382 PolarHBondContact O-N 3.46Å |
| 379 | L | 83.5 | Confident | 77.1 | Confident | 44 Ų | 44 | 65 Ų | 65 | 23% | 0.23 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -55.2 | -41.1 | 173.6 | -171.1 | 91.8 | 0 | 0 | 0 | 112.3 | A375 L381 E382 T383 L453 | A375-L379 PolarHBondContact O-N 3.45Å; L379-L381 VanDerWaalsContact C-N 3.32Å; L379-E382 WeakPolarHBondContact O-CB 3.26Å; L379-T383 PolarHBondContact O-N 2.78Å; L379-T383 VanDerWaalsContact O-N 3.16Å; L379-T383 PolarHBondContact O-OG1 3.05Å; L379-L453 HydrophobicContact CD2-CD2 4.27Å |
| 380 | L | 85.3 | Confident | 78.6 | Confident | 13 Ų | 13 | 59.2 Ų | 59.2 | 7% | 0.068 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -71.5 | -27.5 | 177.2 | -68.3 | 172.9 | 0 | 0 | 0 | 112.3 | L378 T383 I384 L452 | L378-L380 VanDerWaalsContact C-N 3.27Å; L378-L380 PolarHBondContact O-N 3.36Å; L380-T383 WeakPolarHBondContact CA-OG1 3.44Å; L380-T383 PolarHBondContact O-OG1 3.48Å; L380-I384 WeakPolarHBondContact O-CD1 3.4Å; L380-I384 VanDerWaalsContact O-CG1 3.27Å; L380-I384 WeakPolarHBondContact O-CG1 3.43Å; L380-I384 PolarHBondContact O-N 2.9Å; L380-L452 HydrophobicContact CD1-CD2 4.37Å |
| 381 | L | 87.1 | Confident | 80 | Confident | 4 Ų | 4 | 54.7 Ų | 54.7 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -75.3 | -42.1 | 174.5 | -169.5 | 64.6 | 0 | 0 | 0 | 111.2 | S377 L378 L379 T383 I384 L385 L588 K591 | S377-L381 PolarHBondContact O-N 3.48Å; L378-L381 CarbonylContact O-C 3.58Å; L378-L381 WeakPolarHBondContact O-CA 3.31Å; L378-L381 WeakPolarHBondContact O-CB 3.45Å; L378-L381 PolarHBondContact O-N 3.23Å; L379-L381 VanDerWaalsContact C-N 3.32Å; L381-T383 VanDerWaalsContact C-N 3.29Å; L381-T383 PolarHBondContact O-N 2.86Å; L381-I384 PolarHBondContact O-N 3.36Å; L381-I384 VanDerWaalsContact O-N 3.08Å; L381-L385 HydrophobicContact CG-CD1 4.32Å; L381-L385 WeakPolarHBondContact O-CG 3.49Å; L381-L385 PolarHBondContact O-N 2.9Å; L381-L588 HydrophobicContact CD1-CD2 3.84Å; L381-L588 HydrophobicContact CD2-CD2 4Å; L381-L588 HydrophobicContact CG-CD2 4.26Å; L381-K591 HydrophobicContact CD2-CD 4.42Å |
| 382 | E | 89.5 | Confident | 82.1 | Confident | 32 Ų | 32 | 42.7 Ų | 42.7 | 15% | 0.15 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -53.1 | -45.5 | 172.4 | -168 | -177.4 | 157.6 | 0 | 0 | 110.7 | R368 L378 L379 L385 F386 | R368-E382 IonicContact CZ-OE2 3.62Å; R368-E382 IonicContact NH1-OE1 2.69Å; R368-E382 PolarHBondContact NH1-OE1 2.96Å; R368-E382 IonicContact NH1-OE2 3.57Å; R368-E382 PolarHBondContact NH1-OE2 3.39Å; L378-E382 PolarHBondContact O-N 3.46Å; L379-E382 WeakPolarHBondContact O-CB 3.26Å; E382-L385 PolarHBondContact O-N 3.36Å; E382-F386 PolarHBondContact O-N 2.98Å; E382-F386 VanDerWaalsContact O-N 3.09Å |
| 383 | T | 91.9 | Very high | 84.1 | Confident | 27 Ų | 27 | 35.2 Ų | 35.2 | 17% | 0.166 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.2 | -37.9 | 174.3 | 48.4 | 0 | 0 | 0 | 0 | 113.9 | L379 L380 L381 F386 G387 V420 L453 | L379-T383 PolarHBondContact O-N 2.78Å; L379-T383 VanDerWaalsContact O-N 3.16Å; L379-T383 PolarHBondContact O-OG1 3.05Å; L380-T383 WeakPolarHBondContact CA-OG1 3.44Å; L380-T383 PolarHBondContact O-OG1 3.48Å; L381-T383 VanDerWaalsContact C-N 3.29Å; L381-T383 PolarHBondContact O-N 2.86Å; T383-F386 PolarHBondContact O-N 3.47Å; T383-G387 PolarHBondContact O-N 3.39Å; T383-V420 WeakPolarHBondContact O-CG1 3.42Å; T383-L453 HydrophobicContact CG2-CD1 4Å |
| 384 | I | 93.3 | Very high | 85.9 | Confident | 8 Ų | 8 | 33.9 Ų | 33.9 | 4% | 0.041 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.7 | -46.3 | 176.5 | -72.6 | 162 | 0 | 0 | 0 | 110.1 | L380 L381 F386 G387 S388 T424 I425 L584 L587 | L380-I384 WeakPolarHBondContact O-CD1 3.4Å; L380-I384 VanDerWaalsContact O-CG1 3.27Å; L380-I384 WeakPolarHBondContact O-CG1 3.43Å; L380-I384 PolarHBondContact O-N 2.9Å; L381-I384 PolarHBondContact O-N 3.36Å; L381-I384 VanDerWaalsContact O-N 3.08Å; I384-F386 PolarHBondContact O-N 3Å; I384-G387 PolarHBondContact O-N 3.48Å; I384-G387 VanDerWaalsContact O-N 3.16Å; I384-S388 PolarHBondContact O-N 3.4Å; I384-S388 PolarHBondContact O-OG 3.48Å; I384-S388 VanDerWaalsContact O-OG 3.14Å; I384-T424 WeakPolarHBondContact CG1-OG1 3.4Å; I384-I425 HydrophobicContact CD1-CG1 4.33Å; I384-L584 HydrophobicContact CG2-CD2 4.22Å; I384-L587 HydrophobicContact CD1-CD1 4.37Å; I384-L587 HydrophobicContact CG2-CD1 4.36Å |
| 385 | L | 93.8 | Very high | 87.5 | Confident | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.4 | -40.7 | 179.5 | -67.1 | 172.4 | 0 | 0 | 0 | 112.2 | V357 S360 M361 L381 E382 S388 L389 L584 L588 | V357-L385 WeakPolarHBondContact CG1-O 3.46Å; S360-L385 WeakPolarHBondContact OG-CD2 3.36Å; M361-L385 HydrophobicContact CB-CB 4.17Å; M361-L385 HydrophobicContact CB-CD1 4.43Å; M361-L385 HydrophobicContact CG-CB 4.42Å; L381-L385 HydrophobicContact CG-CD1 4.32Å; L381-L385 WeakPolarHBondContact O-CG 3.49Å; L381-L385 PolarHBondContact O-N 2.9Å; E382-L385 PolarHBondContact O-N 3.36Å; L385-S388 PolarHBondContact O-N 3.47Å; L385-L389 PolarHBondContact O-N 2.78Å; L385-L584 HydrophobicContact CD2-CD2 3.71Å; L385-L588 HydrophobicContact CD2-CD1 4.44Å; L385-L588 HydrophobicContact CD2-CD2 4.41Å |
| 386 | F | 94.6 | Very high | 89.2 | Confident | 94 Ų | 94 | 26.4 Ų | 26.4 | 41% | 0.412 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -61.3 | -45.2 | 172.1 | 178.6 | -105.2 | 0 | 0 | 0 | 112.3 | M361 E382 T383 I384 S388 L389 L390 | M361-F386 HydrophobicContact CE-CB 4.02Å; M361-F386 HydrophobicContact CE-CD2 4.16Å; M361-F386 HydrophobicContact SD-CB 4.25Å; E382-F386 PolarHBondContact O-N 2.98Å; E382-F386 VanDerWaalsContact O-N 3.09Å; T383-F386 PolarHBondContact O-N 3.47Å; I384-F386 PolarHBondContact O-N 3Å; F386-S388 PolarHBondContact O-N 2.97Å; F386-L389 PolarHBondContact O-N 2.71Å; F386-L390 HydrophobicContact CD1-CD1 4.2Å; F386-L390 HydrophobicContact CE1-CD1 3.68Å; F386-L390 HydrophobicContact CE1-CG 4.35Å; F386-L390 HydrophobicContact CZ-CD1 4.06Å; F386-L390 HydrophobicContact CZ-CG 4.39Å; F386-L390 PolarHBondContact O-N 2.82Å |
| 387 | G | 95.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.3 | -38.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | T383 I384 L390 L391 | T383-G387 PolarHBondContact O-N 3.39Å; I384-G387 PolarHBondContact O-N 3.48Å; I384-G387 VanDerWaalsContact O-N 3.16Å; G387-L390 WeakPolarHBondContact O-CB 3.28Å; G387-L390 PolarHBondContact O-N 3.24Å; G387-L391 PolarHBondContact O-N 2.89Å |
| 388 | S | 95 | Very high | 91.5 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -66.7 | -37.9 | 175.2 | -64.4 | 0 | 0 | 0 | 0 | 112.1 | I384 L385 F386 L390 L391 Y392 L584 | I384-S388 PolarHBondContact O-N 3.4Å; I384-S388 PolarHBondContact O-OG 3.48Å; I384-S388 VanDerWaalsContact O-OG 3.14Å; L385-S388 PolarHBondContact O-N 3.47Å; F386-S388 PolarHBondContact O-N 2.97Å; S388-L390 VanDerWaalsContact C-N 3.35Å; S388-L391 PolarHBondContact O-N 3.31Å; S388-Y392 WeakPolarHBondContact O-CD2 3.1Å; S388-Y392 PolarHBondContact O-N 3.27Å; S388-Y392 VanDerWaalsContact O-N 3.16Å; S388-L584 WeakPolarHBondContact OG-CD2 3.02Å |
| 389 | L | 95.3 | Very high | 91.8 | Very high | 26 Ų | 26 | 29.4 Ų | 29.4 | 14% | 0.136 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.8 | -44.2 | 172.4 | -172.7 | 66.8 | 0 | 0 | 0 | 110.8 | M354 V357 L385 F386 L391 Y392 F393 | M354-L389 HydrophobicContact CB-CD1 4.14Å; M354-L389 HydrophobicContact CE-CD1 4.01Å; M354-L389 HydrophobicContact CG-CD1 4.37Å; V357-L389 HydrophobicContact CG1-CB 4.01Å; V357-L389 HydrophobicContact CG1-CD1 4.46Å; L385-L389 PolarHBondContact O-N 2.78Å; F386-L389 PolarHBondContact O-N 2.71Å; L389-L391 VanDerWaalsContact C-N 3.32Å; L389-L391 PolarHBondContact O-N 3.25Å; L389-Y392 PolarHBondContact O-N 2.73Å; L389-F393 HydrophobicContact CD2-CE2 4.41Å; L389-F393 HydrophobicContact CG-CD2 4.45Å; L389-F393 HydrophobicContact CG-CE2 3.98Å; L389-F393 VanDerWaalsContact O-CD2 3.25Å; L389-F393 WeakPolarHBondContact O-CD2 3.49Å; L389-F393 PolarHBondContact O-N 2.71Å |
| 390 | L | 95.4 | Very high | 92 | Very high | 33 Ų | 33 | 31.1 Ų | 31.1 | 17% | 0.173 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.3 | -38.5 | 172 | -69 | 178.2 | 0 | 0 | 0 | 112.5 | F386 G387 S388 Y392 F393 P394 V413 | F386-L390 HydrophobicContact CD1-CD1 4.2Å; F386-L390 HydrophobicContact CE1-CD1 3.68Å; F386-L390 HydrophobicContact CE1-CG 4.35Å; F386-L390 HydrophobicContact CZ-CD1 4.06Å; F386-L390 HydrophobicContact CZ-CG 4.39Å; F386-L390 PolarHBondContact O-N 2.82Å; G387-L390 WeakPolarHBondContact O-CB 3.28Å; G387-L390 PolarHBondContact O-N 3.24Å; S388-L390 VanDerWaalsContact C-N 3.35Å; L390-Y392 VanDerWaalsContact C-N 3.32Å; L390-Y392 PolarHBondContact O-N 2.93Å; L390-F393 PolarHBondContact O-N 3.09Å; L390-P394 WeakPolarHBondContact O-CD 3.3Å; L390-V413 HydrophobicContact CD2-CG1 4.35Å; L390-V413 WeakPolarHBondContact O-CG1 3.4Å |
| 391 | L | 95.1 | Very high | 91.9 | Very high | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.016 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -71.8 | -18.5 | 177.9 | -75.8 | 177.4 | 0 | 0 | 0 | 114.7 | G387 S388 L389 P394 R414 F418 V421 Y422 I580 | G387-L391 PolarHBondContact O-N 2.89Å; S388-L391 PolarHBondContact O-N 3.31Å; L389-L391 VanDerWaalsContact C-N 3.32Å; L389-L391 PolarHBondContact O-N 3.25Å; L391-P394 WeakPolarHBondContact O-CD 3.15Å; L391-R414 HydrophobicContact CD2-CG 4.29Å; L391-R414 WeakPolarHBondContact CD2-O 3.36Å; L391-F418 HydrophobicContact CD2-CB 4.18Å; L391-V421 HydrophobicContact CD1-CB 4.21Å; L391-V421 HydrophobicContact CD1-CG2 3.89Å; L391-Y422 HydrophobicContact CD1-CE2 4.35Å; L391-I580 HydrophobicContact CB-CD1 3.46Å; L391-I580 VanDerWaalsContact CB-CD1 3.46Å; L391-I580 HydrophobicContact CB-CG1 4.01Å; L391-I580 HydrophobicContact CD1-CG1 4.33Å |
| 392 | Y | 94.9 | Very high | 91.7 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.008 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -85.6 | -27.2 | 172.8 | -76 | -61.9 | 0 | 0 | 0 | 113.7 | Q350 M354 V357 S388 L389 L390 P394 V395 H577 I580 T581 | Q350-Y392 PolarHBondContact NE2-O 3.42Å; M354-Y392 HydrophobicContact CG-CG 4.2Å; V357-Y392 HydrophobicContact CG2-CD2 4.24Å; V357-Y392 HydrophobicContact CG2-CE2 3.8Å; S388-Y392 WeakPolarHBondContact O-CD2 3.1Å; S388-Y392 PolarHBondContact O-N 3.27Å; S388-Y392 VanDerWaalsContact O-N 3.16Å; L389-Y392 PolarHBondContact O-N 2.73Å; L390-Y392 VanDerWaalsContact C-N 3.32Å; L390-Y392 PolarHBondContact O-N 2.93Å; Y392-P394 VanDerWaalsContact C-CD 3.42Å; Y392-V395 PolarHBondContact O-N 2.74Å; Y392-H577 AromaticContact CE1-CE1 3.55Å; Y392-H577 AromaticContact CE1-ND1 3.79Å; Y392-I580 HydrophobicContact CD1-CD1 3.69Å; Y392-I580 HydrophobicContact CD2-CD1 4.17Å; Y392-I580 HydrophobicContact CD2-CG2 4.16Å; Y392-I580 HydrophobicContact CE1-CB 4.11Å; Y392-I580 HydrophobicContact CE1-CD1 3.72Å; Y392-I580 HydrophobicContact CE1-CG2 4.38Å; Y392-I580 HydrophobicContact CE2-CB 4.04Å; Y392-I580 HydrophobicContact CE2-CD1 4.19Å; Y392-I580 HydrophobicContact CE2-CG2 3.4Å; Y392-I580 VanDerWaalsContact CE2-CG2 3.4Å; Y392-I580 HydrophobicContact CG-CD1 3.93Å; Y392-T581 VanDerWaalsContact OH-CG2 3.28Å; Y392-T581 WeakPolarHBondContact OH-CG2 3.31Å |
| 393 | F | 93.7 | Very high | 91.5 | Very high | 75 Ų | 75 | 39.8 Ų | 39.8 | 33% | 0.329 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -56.9 | -33.5 | 178.4 | -88.9 | -72.9 | 0 | 0 | 0 | 115.7 | M354 L389 L390 V395 F396 I397 V413 | M354-F393 HydrophobicContact CE-CD1 3.64Å; M354-F393 HydrophobicContact CE-CD2 3.76Å; M354-F393 HydrophobicContact CE-CE1 3.6Å; M354-F393 HydrophobicContact CE-CE2 3.72Å; M354-F393 HydrophobicContact CE-CG 3.72Å; M354-F393 HydrophobicContact CE-CZ 3.64Å; L389-F393 HydrophobicContact CD2-CE2 4.41Å; L389-F393 HydrophobicContact CG-CD2 4.45Å; L389-F393 HydrophobicContact CG-CE2 3.98Å; L389-F393 VanDerWaalsContact O-CD2 3.25Å; L389-F393 WeakPolarHBondContact O-CD2 3.49Å; L389-F393 PolarHBondContact O-N 2.71Å; L390-F393 PolarHBondContact O-N 3.09Å; F393-V395 VanDerWaalsContact C-N 3.28Å; F393-V395 PolarHBondContact O-N 3.34Å; F393-F396 WeakPolarHBondContact O-CB 3.39Å; F393-F396 PolarHBondContact O-N 3.35Å; F393-F396 VanDerWaalsContact O-N 3.09Å; F393-I397 PolarHBondContact O-N 2.87Å; F393-V413 HydrophobicContact CB-CG1 3.62Å |
| 394 | P | 93.4 | Very high | 91.2 | Very high | 11 Ų | 11 | 39.8 Ų | 39.8 | 7% | 0.071 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58 | -29.7 | 179 | -32.5 | 38.1 | 0 | 0 | 0 | 115.9 | L390 L391 Y392 I397 L398 L410 V413 R414 | L390-P394 WeakPolarHBondContact O-CD 3.3Å; L391-P394 WeakPolarHBondContact O-CD 3.15Å; Y392-P394 VanDerWaalsContact C-CD 3.42Å; P394-I397 WeakPolarHBondContact O-CA 3.16Å; P394-L398 WeakPolarHBondContact O-CD1 3.35Å; P394-L398 WeakPolarHBondContact O-CG 3.25Å; P394-L398 PolarHBondContact O-N 3.26Å; P394-L398 VanDerWaalsContact O-N 3.11Å; P394-L410 HydrophobicContact CB-CD1 3.72Å; P394-L410 WeakPolarHBondContact O-CD1 3.42Å; P394-V413 HydrophobicContact CG-CG1 4.26Å; P394-R414 HydrophobicContact CG-CB 3.93Å |
| 395 | V | 92.9 | Very high | 91 | Very high | 4 Ų | 4 | 46.3 Ų | 46.3 | 2% | 0.024 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -75.1 | -37.8 | 175.4 | -174.9 | 0 | 0 | 0 | 0 | 110.6 | Q350 Y392 F393 L398 Y399 L569 F573 T576 | Q350-V395 HydrophobicContact CG-CB 4.34Å; Q350-V395 HydrophobicContact CG-CG1 4.47Å; Y392-V395 PolarHBondContact O-N 2.74Å; F393-V395 VanDerWaalsContact C-N 3.28Å; F393-V395 PolarHBondContact O-N 3.34Å; V395-L398 PolarHBondContact O-N 3Å; V395-Y399 PolarHBondContact O-N 3.21Å; V395-L569 HydrophobicContact CG1-CD1 4.04Å; V395-F573 HydrophobicContact CG1-CB 4.2Å; V395-F573 HydrophobicContact CG1-CD2 4.4Å; V395-T576 HydrophobicContact CG2-CG2 4.16Å; V395-T576 WeakPolarHBondContact CG2-OG1 3.47Å |
| 396 | F | 91.6 | Very high | 90.9 | Very high | 83 Ų | 83 | 50.5 Ų | 50.5 | 36% | 0.364 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.1 | -46.3 | 173.9 | -176.7 | -93.5 | 0 | 0 | 0 | 111.5 | L347 F393 Y399 F400 | L347-F396 HydrophobicContact CD1-CD2 3.63Å; L347-F396 HydrophobicContact CD1-CE2 4.09Å; F393-F396 WeakPolarHBondContact O-CB 3.39Å; F393-F396 PolarHBondContact O-N 3.35Å; F393-F396 VanDerWaalsContact O-N 3.09Å; F396-Y399 PolarHBondContact O-N 3.4Å; F396-F400 HydrophobicContact CD1-CE2 4.05Å; F396-F400 AromaticContact CE1-CE2 3.66Å; F396-F400 HydrophobicContact CE1-CE2 3.66Å; F396-F400 HydrophobicContact CE1-CZ 4.29Å; F396-F400 HydrophobicContact CE2-CE2 4.33Å; F396-F400 AromaticContact CZ-CE2 3.81Å; F396-F400 HydrophobicContact CZ-CE2 3.81Å; F396-F400 HydrophobicContact CZ-CZ 4.06Å; F396-F400 VanDerWaalsContact O-CD2 3.25Å; F396-F400 WeakPolarHBondContact O-CD2 3Å |
| 397 | I | 91.8 | Very high | 90.6 | Very high | 17 Ų | 17 | 46.1 Ų | 46.1 | 9% | 0.087 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -6.3 | -85.7 | 139.2 | -5.5 | 142.5 | 0 | 0 | 0 | 118 | F393 P394 Y399 F400 R406 L409 L410 V413 | F393-I397 PolarHBondContact O-N 2.87Å; P394-I397 WeakPolarHBondContact O-CA 3.16Å; I397-Y399 VanDerWaalsContact C-N 3.29Å; I397-Y399 PolarHBondContact O-N 3.02Å; I397-F400 PolarHBondContact O-N 2.96Å; I397-R406 HydrophobicContact CG2-CB 3.83Å; I397-R406 HydrophobicContact CG2-CG 4.05Å; I397-L409 HydrophobicContact CD1-CB 4.28Å; I397-L409 HydrophobicContact CD1-CD2 3.68Å; I397-L409 HydrophobicContact CD1-CG 3.67Å; I397-L409 HydrophobicContact CG1-CD2 4.32Å; I397-L410 HydrophobicContact CB-CD1 4.23Å; I397-V413 HydrophobicContact CD1-CG2 4.44Å |
| 398 | L | 88.5 | Confident | 90.4 | Very high | 60 Ų | 60 | 47.8 Ų | 47.8 | 31% | 0.314 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.6 | -21.3 | -171.9 | -74.3 | 160.4 | 0 | 0 | 0 | 114.5 | P394 V395 F400 L410 L569 | P394-L398 WeakPolarHBondContact O-CD1 3.35Å; P394-L398 WeakPolarHBondContact O-CG 3.25Å; P394-L398 PolarHBondContact O-N 3.26Å; P394-L398 VanDerWaalsContact O-N 3.11Å; V395-L398 PolarHBondContact O-N 3Å; L398-F400 VanDerWaalsContact C-N 3.3Å; L398-F400 PolarHBondContact O-N 3Å; L398-L410 HydrophobicContact CD1-CD1 4.32Å; L398-L410 HydrophobicContact CD2-CD1 4.49Å; L398-L410 HydrophobicContact CD2-CD2 4Å; L398-L410 HydrophobicContact CG-CD1 3.95Å; L398-L410 HydrophobicContact CG-CD2 4.36Å; L398-L569 HydrophobicContact CB-CD1 3.89Å |
| 399 | Y | 86.8 | Confident | 90.3 | Very high | 81 Ų | 81 | 50.7 Ų | 50.7 | 32% | 0.318 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.4 | -33.7 | 176.2 | 170.4 | -93.2 | 0 | 0 | 0 | 112.7 | R343 L347 V395 F396 I397 | R343-Y399 HydrophobicContact CB-CD2 4.23Å; R343-Y399 HydrophobicContact CB-CE2 3.99Å; L347-Y399 HydrophobicContact CB-CD2 4.31Å; L347-Y399 HydrophobicContact CB-CE2 4.47Å; L347-Y399 HydrophobicContact CD1-CD1 4.28Å; L347-Y399 HydrophobicContact CD1-CD2 4.32Å; L347-Y399 HydrophobicContact CD1-CG 3.98Å; L347-Y399 HydrophobicContact CD2-CD1 4.01Å; L347-Y399 HydrophobicContact CD2-CD2 4.13Å; L347-Y399 HydrophobicContact CD2-CE1 3.82Å; L347-Y399 HydrophobicContact CD2-CE2 3.94Å; L347-Y399 HydrophobicContact CD2-CG 4.16Å; L347-Y399 HydrophobicContact CG-CD2 4.5Å; V395-Y399 PolarHBondContact O-N 3.21Å; F396-Y399 PolarHBondContact O-N 3.4Å; I397-Y399 VanDerWaalsContact C-N 3.29Å; I397-Y399 PolarHBondContact O-N 3.02Å |
| 400 | F | 86.6 | Confident | 90.1 | Very high | 80 Ų | 80 | 50.5 Ų | 50.5 | 35% | 0.351 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -86.4 | 142.3 | -179.3 | -62.9 | -84.2 | 0 | 0 | 0 | 112 | F396 I397 L398 R406 | F396-F400 HydrophobicContact CD1-CE2 4.05Å; F396-F400 AromaticContact CE1-CE2 3.66Å; F396-F400 HydrophobicContact CE1-CE2 3.66Å; F396-F400 HydrophobicContact CE1-CZ 4.29Å; F396-F400 HydrophobicContact CE2-CE2 4.33Å; F396-F400 AromaticContact CZ-CE2 3.81Å; F396-F400 HydrophobicContact CZ-CE2 3.81Å; F396-F400 HydrophobicContact CZ-CZ 4.06Å; F396-F400 VanDerWaalsContact O-CD2 3.25Å; F396-F400 WeakPolarHBondContact O-CD2 3Å; I397-F400 PolarHBondContact O-N 2.96Å; L398-F400 VanDerWaalsContact C-N 3.3Å; L398-F400 PolarHBondContact O-N 3Å; F400-R406 VanDerWaalsContact CB-CZ 3.47Å |
| 401 | K | 82.4 | Confident | 89.9 | Confident | 152 Ų | 152 | 50.5 Ų | 50.5 | 66% | 0.661 | 24% | 0.236 | S | C | * | . | trans | -45 | 134.2 | 176.1 | -69.1 | -165.6 | 175.2 | -169.2 | 0 | 111.9 | R406 | K401-R406 WeakPolarHBondContact O-CD 3.3Å; K401-R406 PolarHBondContact O-NH1 3.43Å | ||
| 402 | P | 83.9 | Confident | 89.9 | Confident | 39 Ų | 39 | 53 Ų | 53 | 25% | 0.253 | 25% | 0.245 | S | C | . | . | trans | -61.3 | 142.7 | -172.4 | 24.9 | -34.3 | 0 | 0 | 0 | 111.4 | T497 | P402-T497 WeakPolarHBondContact CG-OG1 3.34Š| ||
| 403 | S | 86 | Confident | 90 | Very high | 39 Ų | 39 | 53.9 Ų | 53.9 | 27% | 0.273 | 25% | 0.251 | S | S | . | . | trans | -145.6 | 158.6 | 171.7 | 76.2 | 0 | 0 | 0 | 0 | 108.8 | F405 R406 C407 | S403-F405 PolarHBondContact O-N 3.02Å; S403-R406 PolarHBondContact O-N 3.38Å; S403-R406 WeakPolarHBondContact OG-CG 3.45Å; S403-R406 PolarHBondContact OG-N 3.44Å; S403-C407 PolarHBondContact O-N 3.01Å; S403-C407 PolarHBondContact O-SG 2.89Å; S403-C407 VanDerWaalsContact O-SG 3.32Å | ||
| 404 | T | 85.8 | Confident | 90 | Very high | 28 Ų | 28 | 51.9 Ų | 51.9 | 17% | 0.172 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -52.5 | -44.2 | -179.2 | -43.5 | 0 | 0 | 0 | 0 | 111.7 | I408 R478 V484 | T404-I408 HydrophobicContact CG2-CD1 4.23Å; T404-I408 WeakPolarHBondContact O-CD1 3.3Å; T404-I408 VanDerWaalsContact O-CG1 3.32Å; T404-I408 WeakPolarHBondContact O-CG1 3.38Å; T404-I408 PolarHBondContact O-N 3.29Å; T404-I408 VanDerWaalsContact O-N 3.15Å; T404-R478 PolarHBondContact OG1-NH1 3.33Å; T404-V484 HydrophobicContact CG2-CB 4.42Å; T404-V484 HydrophobicContact CG2-CG1 4.18Å; T404-V484 HydrophobicContact CG2-CG2 4.38Å |
| 405 | F | 88.4 | Confident | 90 | Very high | 145 Ų | 145 | 52.2 Ų | 52.2 | 64% | 0.636 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -63 | -46.3 | 175.4 | 178.3 | -103.4 | 0 | 0 | 0 | 112.7 | S403 I408 L409 | S403-F405 PolarHBondContact O-N 3.02Å; F405-I408 PolarHBondContact O-N 3.18Å; F405-L409 HydrophobicContact CE1-CD2 3.93Å; F405-L409 HydrophobicContact CZ-CD2 4.19Å; F405-L409 WeakPolarHBondContact O-CB 3.24Å; F405-L409 PolarHBondContact O-N 3.01Å |
| 406 | R | 90.6 | Very high | 90.2 | Very high | 89 Ų | 89 | 54 Ų | 54 | 34% | 0.336 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.8 | -42.6 | 178.9 | -73.2 | 174.2 | 179.6 | 143.1 | 2.6 | 112.2 | I397 F400 K401 S403 I408 L409 L410 | I397-R406 HydrophobicContact CG2-CB 3.83Å; I397-R406 HydrophobicContact CG2-CG 4.05Å; F400-R406 VanDerWaalsContact CB-CZ 3.47Å; K401-R406 WeakPolarHBondContact O-CD 3.3Å; K401-R406 PolarHBondContact O-NH1 3.43Å; S403-R406 PolarHBondContact O-N 3.38Å; S403-R406 WeakPolarHBondContact OG-CG 3.45Å; S403-R406 PolarHBondContact OG-N 3.44Å; R406-I408 VanDerWaalsContact C-N 3.27Å; R406-I408 PolarHBondContact O-N 2.88Å; R406-L409 PolarHBondContact O-N 2.68Å; R406-L410 VanDerWaalsContact O-CB 3.25Å; R406-L410 WeakPolarHBondContact O-CB 3.48Å; R406-L410 PolarHBondContact O-N 2.92Å |
| 407 | C | 89.3 | Confident | 90.4 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.007 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.2 | -24.8 | 177.8 | -60.4 | 0 | 0 | 0 | 0 | 113.5 | S403 R411 C499 | S403-C407 PolarHBondContact O-N 3.01Å; S403-C407 PolarHBondContact O-SG 2.89Å; S403-C407 VanDerWaalsContact O-SG 3.32Å; C407-R411 PolarHBondContact O-NH1 3.38Å; C407-C499 VanDerWaalsContact CA-SG 3.54Å; C407-C499 HydrophobicContact CB-CB 3.77Å; C407-C499 WeakPolarHBondContact CB-SG 3.4Å; C407-C499 WeakPolarHBondContact SG-CB 3.14Å; C407-C499 CovalentContact SG-SG 2.04Å; C407-C499 PolarHBondContact SG-SG 3.39Å |
| 408 | I | 90.9 | Very high | 90.5 | Very high | 36 Ų | 36 | 49.7 Ų | 49.7 | 19% | 0.185 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -78.5 | -52.9 | 170.9 | -73 | 166.9 | 0 | 0 | 0 | 110.2 | T404 F405 R406 L410 R411 W412 W470 T471 | T404-I408 HydrophobicContact CG2-CD1 4.23Å; T404-I408 WeakPolarHBondContact O-CD1 3.3Å; T404-I408 VanDerWaalsContact O-CG1 3.32Å; T404-I408 WeakPolarHBondContact O-CG1 3.38Å; T404-I408 PolarHBondContact O-N 3.29Å; T404-I408 VanDerWaalsContact O-N 3.15Å; F405-I408 PolarHBondContact O-N 3.18Å; R406-I408 VanDerWaalsContact C-N 3.27Å; R406-I408 PolarHBondContact O-N 2.88Å; I408-L410 VanDerWaalsContact C-N 3.27Å; I408-L410 PolarHBondContact O-N 2.95Å; I408-R411 PolarHBondContact O-N 3.38Å; I408-W412 PolarHBondContact O-N 3.32Å; I408-W470 HydrophobicContact CB-CH2 4.49Å; I408-W470 HydrophobicContact CB-CZ3 4.43Å; I408-W470 HydrophobicContact CG1-CH2 3.97Å; I408-W470 HydrophobicContact CG1-CZ3 4.18Å; I408-W470 HydrophobicContact CG2-CZ3 4.32Å; I408-T471 HydrophobicContact CG1-CG2 4.36Å; I408-T471 HydrophobicContact CG2-CG2 3.55Å |
| 409 | L | 92.6 | Very high | 90.9 | Very high | 60 Ų | 60 | 47.1 Ų | 47.1 | 31% | 0.314 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -58.4 | -38.8 | -177.6 | -172.9 | 68 | 0 | 0 | 0 | 112.1 | I397 F405 R406 R411 W412 V413 | I397-L409 HydrophobicContact CD1-CB 4.28Å; I397-L409 HydrophobicContact CD1-CD2 3.68Å; I397-L409 HydrophobicContact CD1-CG 3.67Å; I397-L409 HydrophobicContact CG1-CD2 4.32Å; F405-L409 HydrophobicContact CE1-CD2 3.93Å; F405-L409 HydrophobicContact CZ-CD2 4.19Å; F405-L409 WeakPolarHBondContact O-CB 3.24Å; F405-L409 PolarHBondContact O-N 3.01Å; R406-L409 PolarHBondContact O-N 2.68Å; L409-R411 VanDerWaalsContact C-N 3.34Å; L409-R411 PolarHBondContact O-N 2.94Å; L409-W412 PolarHBondContact O-N 3.37Å; L409-V413 HydrophobicContact CD1-CG2 3.77Å; L409-V413 HydrophobicContact CG-CG2 3.96Å; L409-V413 WeakPolarHBondContact O-CB 3.4Å; L409-V413 VanDerWaalsContact O-CG2 3.27Å; L409-V413 WeakPolarHBondContact O-CG2 2.99Å; L409-V413 PolarHBondContact O-N 3.41Å |
| 410 | L | 91.8 | Very high | 91.3 | Very high | 22 Ų | 22 | 43.7 Ų | 43.7 | 12% | 0.115 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -52.6 | -48.5 | 176.4 | -177.5 | 70.1 | 0 | 0 | 0 | 112.6 | P394 I397 L398 R406 I408 R414 | P394-L410 HydrophobicContact CB-CD1 3.72Å; P394-L410 WeakPolarHBondContact O-CD1 3.42Å; I397-L410 HydrophobicContact CB-CD1 4.23Å; L398-L410 HydrophobicContact CD1-CD1 4.32Å; L398-L410 HydrophobicContact CD2-CD1 4.49Å; L398-L410 HydrophobicContact CD2-CD2 4Å; L398-L410 HydrophobicContact CG-CD1 3.95Å; L398-L410 HydrophobicContact CG-CD2 4.36Å; R406-L410 VanDerWaalsContact O-CB 3.25Å; R406-L410 WeakPolarHBondContact O-CB 3.48Å; R406-L410 PolarHBondContact O-N 2.92Å; I408-L410 VanDerWaalsContact C-N 3.27Å; I408-L410 PolarHBondContact O-N 2.95Å; L410-R414 PolarHBondContact O-N 2.93Å |
| 411 | R | 91.9 | Very high | 91.7 | Very high | 34 Ų | 34 | 40 Ų | 40 | 13% | 0.128 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -70.5 | -46.8 | -179.5 | -72.1 | 165.6 | 170.8 | 124.8 | -12.8 | 111.2 | C407 I408 L409 V413 M415 W470 Y500 D505 | C407-R411 PolarHBondContact O-NH1 3.38Å; I408-R411 PolarHBondContact O-N 3.38Å; L409-R411 VanDerWaalsContact C-N 3.34Å; L409-R411 PolarHBondContact O-N 2.94Å; R411-V413 PolarHBondContact O-N 3.45Å; R411-M415 WeakPolarHBondContact O-CB 3.34Å; R411-M415 WeakPolarHBondContact O-CG 3.33Å; R411-M415 PolarHBondContact O-N 2.89Å; R411-W470 HydrophobicContact CB-CH2 4.47Å; R411-W470 HydrophobicContact CB-CZ3 4.32Å; R411-W470 HydrophobicContact CG-CH2 4.43Å; R411-Y500 PolarHBondContact NH2-O 3.32Å; R411-D505 IonicContact CZ-OD1 3.59Å; R411-D505 IonicContact CZ-OD2 3.53Å; R411-D505 IonicContact NE-OD1 3.8Å; R411-D505 PolarHBondContact NE-OD1 3.49Å; R411-D505 IonicContact NE-OD2 3.97Å; R411-D505 VanDerWaalsContact NH2-CG 3.33Å; R411-D505 IonicContact NH2-OD1 2.83Å; R411-D505 PolarHBondContact NH2-OD1 3.04Å; R411-D505 IonicContact NH2-OD2 2.68Å; R411-D505 PolarHBondContact NH2-OD2 2.87Å |
| 412 | W | 94.6 | Very high | 92.3 | Very high | 54 Ų | 54 | 32.7 Ų | 32.7 | 21% | 0.205 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -55.1 | -52 | 176.9 | -90.2 | 78 | 0 | 0 | 0 | 112.4 | I408 L409 M415 L416 L467 | I408-W412 PolarHBondContact O-N 3.32Å; L409-W412 PolarHBondContact O-N 3.37Å; W412-M415 PolarHBondContact O-N 3.13Å; W412-L416 HydrophobicContact CE3-CD1 3.88Å; W412-L416 HydrophobicContact CZ3-CD1 4.36Å; W412-L416 WeakPolarHBondContact O-CB 3.08Å; W412-L416 WeakPolarHBondContact O-CG 2.98Å; W412-L416 PolarHBondContact O-N 2.85Å; W412-L467 HydrophobicContact CD2-CB 3.97Å; W412-L467 HydrophobicContact CD2-CD1 4.02Å; W412-L467 HydrophobicContact CD2-CG 4.46Å; W412-L467 HydrophobicContact CE3-CB 4.38Å; W412-L467 HydrophobicContact CE3-CD1 4.04Å; W412-L467 HydrophobicContact CG-CB 4.5Å; W412-L467 HydrophobicContact CG-CD1 4.31Å; W412-L467 HydrophobicContact CG-CD2 4.4Å; W412-L467 HydrophobicContact CH2-CB 4.11Å; W412-L467 HydrophobicContact CZ2-CB 3.67Å; W412-L467 HydrophobicContact CZ3-CB 4.44Å |
| 413 | V | 95.6 | Very high | 92.8 | Very high | 21 Ų | 21 | 31 Ų | 31 | 13% | 0.127 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -68.5 | -41.3 | -174.2 | 172.6 | 0 | 0 | 0 | 0 | 111.6 | L390 F393 P394 I397 L409 R411 G417 | L390-V413 HydrophobicContact CD2-CG1 4.35Å; L390-V413 WeakPolarHBondContact O-CG1 3.4Å; F393-V413 HydrophobicContact CB-CG1 3.62Å; P394-V413 HydrophobicContact CG-CG1 4.26Å; I397-V413 HydrophobicContact CD1-CG2 4.44Å; L409-V413 HydrophobicContact CD1-CG2 3.77Å; L409-V413 HydrophobicContact CG-CG2 3.96Å; L409-V413 WeakPolarHBondContact O-CB 3.4Å; L409-V413 VanDerWaalsContact O-CG2 3.27Å; L409-V413 WeakPolarHBondContact O-CG2 2.99Å; L409-V413 PolarHBondContact O-N 3.41Å; R411-V413 PolarHBondContact O-N 3.45Å; V413-G417 PolarHBondContact O-N 3.3Å |
| 414 | R | 94.3 | Very high | 93.2 | Very high | 33 Ų | 33 | 29.3 Ų | 29.3 | 13% | 0.125 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.6 | -53.2 | 173.4 | 176.4 | 173.6 | 168.3 | 82.6 | 5 | 111.4 | L391 P394 L410 L416 G417 F418 E512 E546 | L391-R414 HydrophobicContact CD2-CG 4.29Å; L391-R414 WeakPolarHBondContact CD2-O 3.36Å; P394-R414 HydrophobicContact CG-CB 3.93Å; L410-R414 PolarHBondContact O-N 2.93Å; R414-L416 PolarHBondContact O-N 3.05Å; R414-G417 PolarHBondContact O-N 3.03Å; R414-F418 WeakPolarHBondContact O-CB 3.31Å; R414-F418 PolarHBondContact O-N 3.07Å; R414-E512 IonicContact CZ-OE1 2.9Å; R414-E512 IonicContact CZ-OE2 2.65Å; R414-E512 IonicContact NE-OE1 3.7Å; R414-E512 PolarHBondContact NE-OE1 3.39Å; R414-E512 IonicContact NE-OE2 2.71Å; R414-E512 VanDerWaalsContact NH2-CD 3.28Å; R414-E512 IonicContact NH2-OE1 3.98Å; R414-E512 PolarHBondContact NH2-OE1 3.09Å; R414-E512 VanDerWaalsContact NH2-OE1 3.14Å; R414-E512 IonicContact NH2-OE2 3.39Å; R414-E512 PolarHBondContact NH2-OE2 3.24Å; R414-E546 IonicContact NH2-OE1 3.24Å; R414-E546 PolarHBondContact NH2-OE1 2.89Å |
| 415 | M | 94.6 | Very high | 93.5 | Very high | 19 Ų | 19 | 28 Ų | 28 | 9% | 0.094 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -66.7 | -38.4 | -171 | -68.2 | -63.7 | -47.7 | 0 | 0 | 112.6 | R411 W412 S419 V463 L467 M508 E512 | R411-M415 WeakPolarHBondContact O-CB 3.34Å; R411-M415 WeakPolarHBondContact O-CG 3.33Å; R411-M415 PolarHBondContact O-N 2.89Å; W412-M415 PolarHBondContact O-N 3.13Å; M415-S419 WeakPolarHBondContact O-CB 3.06Å; M415-S419 PolarHBondContact O-N 3.5Å; M415-V463 HydrophobicContact CB-CG1 4.24Å; M415-L467 HydrophobicContact CB-CD1 4.14Å; M415-L467 HydrophobicContact CB-CD2 4.38Å; M415-L467 HydrophobicContact CG-CD2 4.37Å; M415-M508 HydrophobicContact CB-CE 4.46Å; M415-M508 HydrophobicContact CE-CE 3.98Å; M415-M508 HydrophobicContact CE-SD 3.61Å; M415-M508 HydrophobicContact CG-CE 3.74Å; M415-M508 HydrophobicContact CG-SD 4.47Å; M415-M508 HydrophobicContact SD-CB 4.19Å; M415-M508 HydrophobicContact SD-CE 4.14Å; M415-M508 HydrophobicContact SD-CG 4.5Å; M415-M508 HydrophobicContact SD-SD 4.08Å; M415-E512 HydrophobicContact CE-CG 4.05Å; M415-E512 HydrophobicContact SD-CG 4.05Å; M415-E512 VanDerWaalsContact SD-OE1 3.42Å |
| 416 | L | 95.5 | Very high | 93.7 | Very high | 42 Ų | 42 | 21.1 Ų | 21.1 | 22% | 0.22 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -67.3 | -44 | 172.6 | -68.3 | 176.3 | 0 | 0 | 0 | 111.3 | W412 R414 F418 S419 V420 L460 V463 L467 | W412-L416 HydrophobicContact CE3-CD1 3.88Å; W412-L416 HydrophobicContact CZ3-CD1 4.36Å; W412-L416 WeakPolarHBondContact O-CB 3.08Å; W412-L416 WeakPolarHBondContact O-CG 2.98Å; W412-L416 PolarHBondContact O-N 2.85Å; R414-L416 PolarHBondContact O-N 3.05Å; L416-F418 PolarHBondContact O-N 3.4Å; L416-S419 PolarHBondContact O-N 3.43Å; L416-V420 VanDerWaalsContact O-CG2 3.31Å; L416-V420 WeakPolarHBondContact O-CG2 3.21Å; L416-V420 PolarHBondContact O-N 3.37Å; L416-L460 HydrophobicContact CD2-CD2 4.33Å; L416-V463 HydrophobicContact CD2-CG1 4.21Å; L416-L467 HydrophobicContact CD2-CD1 4.4Å; L416-L467 HydrophobicContact CG-CD1 4.2Å |
| 417 | G | 95.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -58.2 | -46.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | V413 R414 V420 V421 | V413-G417 PolarHBondContact O-N 3.3Å; R414-G417 PolarHBondContact O-N 3.03Å; G417-V420 PolarHBondContact O-N 2.85Å; G417-V421 WeakPolarHBondContact O-CG2 3.46Å; G417-V421 PolarHBondContact O-N 3.43Å |
| 418 | F | 95.7 | Very high | 93.7 | Very high | 8 Ų | 8 | 19.1 Ų | 19.1 | 4% | 0.035 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -59.8 | -48.3 | 176.6 | 178.2 | -89.6 | 0 | 0 | 0 | 111.4 | L391 R414 L416 V420 V421 Y422 E512 F515 L516 E546 | L391-F418 HydrophobicContact CD2-CB 4.18Å; R414-F418 WeakPolarHBondContact O-CB 3.31Å; R414-F418 PolarHBondContact O-N 3.07Å; L416-F418 PolarHBondContact O-N 3.4Å; F418-V420 PolarHBondContact O-N 3.05Å; F418-V421 PolarHBondContact O-N 2.99Å; F418-Y422 AromaticContact CD2-CD2 3.49Å; F418-Y422 HydrophobicContact CD2-CD2 3.49Å; F418-Y422 VanDerWaalsContact CD2-CD2 3.49Å; F418-Y422 AromaticContact CD2-CE2 3.9Å; F418-Y422 HydrophobicContact CD2-CE2 3.9Å; F418-Y422 AromaticContact CE2-CD2 3.64Å; F418-Y422 HydrophobicContact CE2-CD2 3.64Å; F418-Y422 HydrophobicContact CE2-CE2 4.13Å; F418-Y422 HydrophobicContact CE2-CG 4.41Å; F418-Y422 HydrophobicContact CG-CD2 4.06Å; F418-Y422 HydrophobicContact CZ-CD2 4.31Å; F418-Y422 PolarHBondContact O-N 2.89Å; F418-E512 HydrophobicContact CD1-CG 4.11Å; F418-E512 HydrophobicContact CD2-CG 4.4Å; F418-E512 HydrophobicContact CE1-CB 4.05Å; F418-E512 HydrophobicContact CE1-CG 3.95Å; F418-E512 HydrophobicContact CE2-CB 4.2Å; F418-E512 HydrophobicContact CE2-CG 4.25Å; F418-E512 HydrophobicContact CG-CG 4.33Å; F418-E512 HydrophobicContact CZ-CB 3.77Å; F418-E512 HydrophobicContact CZ-CG 4.02Å; F418-F515 AromaticContact CE1-CD1 3.89Å; F418-F515 HydrophobicContact CE1-CD1 3.89Å; F418-F515 HydrophobicContact CZ-CD1 4.34Å; F418-L516 HydrophobicContact CE2-CD1 4.15Å; F418-L516 HydrophobicContact CE2-CD2 4.15Å; F418-L516 HydrophobicContact CZ-CD1 4.19Å; F418-L516 HydrophobicContact CZ-CD2 3.84Å; F418-E546 HydrophobicContact CE2-CG 4.11Å |
| 419 | S | 95.6 | Very high | 93.5 | Very high | 7 Ų | 7 | 17.5 Ų | 17.5 | 5% | 0.049 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -63.4 | -37.9 | 178.1 | -172.7 | 0 | 0 | 0 | 0 | 112.3 | M415 L416 G423 | M415-S419 WeakPolarHBondContact O-CB 3.06Å; M415-S419 PolarHBondContact O-N 3.5Å; L416-S419 PolarHBondContact O-N 3.43Å; S419-G423 WeakPolarHBondContact O-CA 3.35Å; S419-G423 PolarHBondContact O-N 2.93Å |
| 420 | V | 95.8 | Very high | 93.3 | Very high | 9 Ų | 9 | 18.7 Ų | 18.7 | 6% | 0.055 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -65.6 | -52.8 | 174 | 174.3 | 0 | 0 | 0 | 0 | 111.5 | T383 L416 G417 F418 T424 L460 | T383-V420 WeakPolarHBondContact O-CG1 3.42Å; L416-V420 VanDerWaalsContact O-CG2 3.31Å; L416-V420 WeakPolarHBondContact O-CG2 3.21Å; L416-V420 PolarHBondContact O-N 3.37Å; G417-V420 PolarHBondContact O-N 2.85Å; F418-V420 PolarHBondContact O-N 3.05Å; V420-T424 WeakPolarHBondContact O-CB 3.07Å; V420-T424 VanDerWaalsContact O-CG2 3.23Å; V420-T424 WeakPolarHBondContact O-CG2 3.2Å; V420-T424 PolarHBondContact O-N 2.95Å; V420-T424 PolarHBondContact O-OG1 2.99Å; V420-L460 HydrophobicContact CG2-CD1 4.01Å; V420-L460 HydrophobicContact CG2-CD2 3.68Å; V420-L460 HydrophobicContact CG2-CG 4.49Å |
| 421 | V | 95.6 | Very high | 93 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.006 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -67.4 | -59 | -175.5 | 176.2 | 0 | 0 | 0 | 0 | 111.1 | L391 G417 F418 T424 I425 | L391-V421 HydrophobicContact CD1-CB 4.21Å; L391-V421 HydrophobicContact CD1-CG2 3.89Å; G417-V421 WeakPolarHBondContact O-CG2 3.46Å; G417-V421 PolarHBondContact O-N 3.43Å; F418-V421 PolarHBondContact O-N 2.99Å; V421-T424 PolarHBondContact O-N 3.25Å; V421-T424 PolarHBondContact O-OG1 3.22Å; V421-I425 HydrophobicContact CG1-CD1 3.84Å; V421-I425 WeakPolarHBondContact O-CD1 3.47Å; V421-I425 VanDerWaalsContact O-CG1 3.25Å; V421-I425 WeakPolarHBondContact O-CG1 3.06Å; V421-I425 PolarHBondContact O-N 3.38Å; V421-I425 VanDerWaalsContact O-N 3.1Å |
| 422 | Y | 94.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -78.1 | -25.5 | -174 | -62.1 | -68.3 | 0 | 0 | 0 | 112.4 | L391 F418 I425 T426 L516 E546 T583 | L391-Y422 HydrophobicContact CD1-CE2 4.35Å; F418-Y422 AromaticContact CD2-CD2 3.49Å; F418-Y422 HydrophobicContact CD2-CD2 3.49Å; F418-Y422 VanDerWaalsContact CD2-CD2 3.49Å; F418-Y422 AromaticContact CD2-CE2 3.9Å; F418-Y422 HydrophobicContact CD2-CE2 3.9Å; F418-Y422 AromaticContact CE2-CD2 3.64Å; F418-Y422 HydrophobicContact CE2-CD2 3.64Å; F418-Y422 HydrophobicContact CE2-CE2 4.13Å; F418-Y422 HydrophobicContact CE2-CG 4.41Å; F418-Y422 HydrophobicContact CG-CD2 4.06Å; F418-Y422 HydrophobicContact CZ-CD2 4.31Å; F418-Y422 PolarHBondContact O-N 2.89Å; Y422-I425 HydrophobicContact CD1-CD1 4.08Å; Y422-I425 HydrophobicContact CE1-CD1 4.24Å; Y422-T426 WeakPolarHBondContact O-CB 3.18Å; Y422-T426 VanDerWaalsContact O-CG2 3.28Å; Y422-T426 WeakPolarHBondContact O-CG2 3.37Å; Y422-T426 PolarHBondContact O-N 3.41Å; Y422-T426 PolarHBondContact O-OG1 3.14Å; Y422-L516 HydrophobicContact CD1-CD2 4.23Å; Y422-L516 HydrophobicContact CG-CD2 4.07Å; Y422-E546 HydrophobicContact CD2-CG 4.33Å; Y422-E546 HydrophobicContact CE1-CB 3.91Å; Y422-E546 HydrophobicContact CE1-CG 4.26Å; Y422-E546 HydrophobicContact CE2-CB 4.16Å; Y422-E546 VanDerWaalsContact CE2-CD 3.45Å; Y422-E546 HydrophobicContact CE2-CG 3.61Å; Y422-E546 VanDerWaalsContact CE2-OE2 3.32Å; Y422-E546 WeakPolarHBondContact CE2-OE2 3.1Å; Y422-E546 VanDerWaalsContact CZ-OE2 3.26Å; Y422-E546 WeakPolarHBondContact OH-CB 3.43Å; Y422-E546 PolarHBondContact OH-OE2 2.71Å; Y422-T583 HydrophobicContact CE1-CG2 4.09Å; Y422-T583 WeakPolarHBondContact OH-CG2 3.47Å |
| 423 | G | 94.3 | Very high | 92 | Very high | 2 Ų | 2 | 17.9 Ų | 17.9 | 2% | 0.021 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -64 | -44.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | S419 T426 L427 | S419-G423 WeakPolarHBondContact O-CA 3.35Å; S419-G423 PolarHBondContact O-N 2.93Å; G423-T426 WeakPolarHBondContact CA-OG1 3.28Å; G423-T426 PolarHBondContact O-OG1 3.41Å; G423-L427 VanDerWaalsContact O-CB 3.26Å; G423-L427 WeakPolarHBondContact O-CB 3.34Å; G423-L427 WeakPolarHBondContact O-CG 3.46Å; G423-L427 PolarHBondContact O-N 3.01Å |
| 424 | T | 93.3 | Very high | 91.3 | Very high | 5 Ų | 5 | 21 Ų | 21 | 3% | 0.031 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -68.2 | -38.6 | 176.5 | 50.7 | 0 | 0 | 0 | 0 | 112.5 | I384 V420 V421 K428 L456 | I384-T424 WeakPolarHBondContact CG1-OG1 3.4Å; V420-T424 WeakPolarHBondContact O-CB 3.07Å; V420-T424 VanDerWaalsContact O-CG2 3.23Å; V420-T424 WeakPolarHBondContact O-CG2 3.2Å; V420-T424 PolarHBondContact O-N 2.95Å; V420-T424 PolarHBondContact O-OG1 2.99Å; V421-T424 PolarHBondContact O-N 3.25Å; V421-T424 PolarHBondContact O-OG1 3.22Å; T424-K428 WeakPolarHBondContact O-CB 3.18Å; T424-K428 PolarHBondContact O-N 2.89Å; T424-L456 HydrophobicContact CG2-CD1 3.89Å; T424-L456 HydrophobicContact CG2-CD2 3.48Å; T424-L456 VanDerWaalsContact CG2-CD2 3.48Å; T424-L456 HydrophobicContact CG2-CG 4.29Å |
| 425 | I | 92.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.2 | -50.3 | 175.2 | -65.1 | 166.8 | 0 | 0 | 0 | 110.5 | I384 V421 Y422 K428 M429 M539 I543 L587 | I384-I425 HydrophobicContact CD1-CG1 4.33Å; V421-I425 HydrophobicContact CG1-CD1 3.84Å; V421-I425 WeakPolarHBondContact O-CD1 3.47Å; V421-I425 VanDerWaalsContact O-CG1 3.25Å; V421-I425 WeakPolarHBondContact O-CG1 3.06Å; V421-I425 PolarHBondContact O-N 3.38Å; V421-I425 VanDerWaalsContact O-N 3.1Å; Y422-I425 HydrophobicContact CD1-CD1 4.08Å; Y422-I425 HydrophobicContact CE1-CD1 4.24Å; I425-K428 PolarHBondContact O-N 2.85Å; I425-M429 WeakPolarHBondContact O-CG 3.08Å; I425-M429 PolarHBondContact O-N 3.36Å; I425-M539 HydrophobicContact CB-CE 4.31Å; I425-M539 HydrophobicContact CG2-CB 4.2Å; I425-M539 HydrophobicContact CG2-CE 3.76Å; I425-M539 WeakPolarHBondContact O-CE 3.34Å; I425-I543 HydrophobicContact CG2-CD1 3.98Å; I425-I543 HydrophobicContact CG2-CG1 4.01Å; I425-L587 HydrophobicContact CD1-CD1 3.88Å; I425-L587 HydrophobicContact CG1-CD1 4.18Å |
| 426 | T | 92.3 | Very high | 89.4 | Confident | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.006 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -66.5 | -41.8 | 180 | 51.3 | 0 | 0 | 0 | 0 | 113 | Y422 G423 K428 M429 Y430 F515 I543 | Y422-T426 WeakPolarHBondContact O-CB 3.18Å; Y422-T426 VanDerWaalsContact O-CG2 3.28Å; Y422-T426 WeakPolarHBondContact O-CG2 3.37Å; Y422-T426 PolarHBondContact O-N 3.41Å; Y422-T426 PolarHBondContact O-OG1 3.14Å; G423-T426 WeakPolarHBondContact CA-OG1 3.28Å; G423-T426 PolarHBondContact O-OG1 3.41Å; T426-K428 VanDerWaalsContact C-N 3.3Å; T426-K428 PolarHBondContact O-N 2.68Å; T426-M429 WeakPolarHBondContact O-CB 3.43Å; T426-M429 PolarHBondContact O-N 3.41Å; T426-Y430 WeakPolarHBondContact O-CB 2.98Å; T426-Y430 PolarHBondContact O-N 3.44Å; T426-F515 HydrophobicContact CG2-CE1 4.28Å; T426-F515 HydrophobicContact CG2-CZ 4.25Å; T426-F515 WeakPolarHBondContact OG1-CZ 3.06Å; T426-I543 HydrophobicContact CG2-CD1 4.13Å |
| 427 | L | 91.4 | Very high | 88.2 | Confident | 18 Ų | 18 | 27.2 Ų | 27.2 | 9% | 0.094 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.4 | -34.1 | 175.7 | -71.9 | 172.4 | 0 | 0 | 0 | 112.5 | G423 R431 I455 L456 | G423-L427 VanDerWaalsContact O-CB 3.26Å; G423-L427 WeakPolarHBondContact O-CB 3.34Å; G423-L427 WeakPolarHBondContact O-CG 3.46Å; G423-L427 PolarHBondContact O-N 3.01Å; L427-R431 PolarHBondContact O-N 3.03Å; L427-I455 HydrophobicContact CD1-CB 4.32Å; L427-I455 HydrophobicContact CD1-CG2 4.06Å; L427-I455 HydrophobicContact CD2-CB 4.34Å; L427-I455 HydrophobicContact CD2-CG2 3.57Å; L427-I455 HydrophobicContact CG-CG2 4.5Å; L427-L456 HydrophobicContact CD1-CB 3.88Å; L427-L456 HydrophobicContact CD1-CD1 4.06Å |
| 428 | K | 87.9 | Confident | 86.4 | Confident | 30 Ų | 30 | 29.3 Ų | 29.3 | 13% | 0.13 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -69.9 | -38.9 | 172.8 | 178.9 | -178.4 | 169.3 | -138.8 | 0 | 111.7 | T424 I425 T426 R431 V432 E535 M539 | T424-K428 WeakPolarHBondContact O-CB 3.18Å; T424-K428 PolarHBondContact O-N 2.89Å; I425-K428 PolarHBondContact O-N 2.85Å; T426-K428 VanDerWaalsContact C-N 3.3Å; T426-K428 PolarHBondContact O-N 2.68Å; K428-R431 PolarHBondContact O-N 3.25Å; K428-V432 PolarHBondContact O-N 2.65Å; K428-V432 VanDerWaalsContact O-N 3.15Å; K428-E535 WeakPolarHBondContact CE-OE1 3.26Å; K428-E535 IonicContact NZ-OE1 2.92Å; K428-E535 PolarHBondContact NZ-OE1 3.46Å; K428-E535 IonicContact NZ-OE2 3.14Å; K428-M539 HydrophobicContact CB-CE 3.73Å; K428-M539 HydrophobicContact CD-CE 3.58Å; K428-M539 HydrophobicContact CD-SD 3.86Å; K428-M539 HydrophobicContact CG-CE 3.68Å; K428-M539 HydrophobicContact CG-SD 4.2Å; K428-M539 PolarHBondContact NZ-SD 2.84Å |
| 429 | M | 87.9 | Confident | 84.7 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.6 | -44.2 | 170.7 | -71.2 | -64.3 | -73.9 | 0 | 0 | 112.1 | I425 T426 R431 V432 L433 W523 V526 P536 M539 | I425-M429 WeakPolarHBondContact O-CG 3.08Å; I425-M429 PolarHBondContact O-N 3.36Å; T426-M429 WeakPolarHBondContact O-CB 3.43Å; T426-M429 PolarHBondContact O-N 3.41Å; M429-R431 VanDerWaalsContact C-N 3.32Å; M429-R431 PolarHBondContact O-N 3.39Å; M429-V432 WeakPolarHBondContact O-CB 3.42Å; M429-V432 PolarHBondContact O-N 3.27Å; M429-V432 VanDerWaalsContact O-N 3.12Å; M429-L433 PolarHBondContact O-N 3.31Å; M429-W523 HydrophobicContact CE-CB 4.09Å; M429-W523 HydrophobicContact CE-CG 4.36Å; M429-V526 HydrophobicContact CE-CB 3.78Å; M429-V526 HydrophobicContact CE-CG1 3.72Å; M429-V526 HydrophobicContact CE-CG2 4.16Å; M429-P536 HydrophobicContact CE-CB 3.97Å; M429-P536 HydrophobicContact SD-CB 3.72Å; M429-M539 HydrophobicContact CG-CB 4.29Å; M429-M539 HydrophobicContact CG-CE 3.74Å; M429-M539 HydrophobicContact SD-CB 3.74Å; M429-M539 HydrophobicContact SD-CE 4.02Å; M429-M539 HydrophobicContact SD-SD 4.03Å |
| 430 | Y | 87.5 | Confident | 82.8 | Confident | 86 Ų | 86 | 44.1 Ų | 44.1 | 34% | 0.337 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -59.1 | -40.6 | 175.4 | 177.4 | -90.7 | 0 | 0 | 0 | 112.2 | T426 L433 K434 L522 | T426-Y430 WeakPolarHBondContact O-CB 2.98Å; T426-Y430 PolarHBondContact O-N 3.44Å; Y430-L433 PolarHBondContact O-N 3.34Å; Y430-K434 HydrophobicContact CD1-CG 4.26Å; Y430-K434 HydrophobicContact CE1-CG 3.75Å; Y430-K434 HydrophobicContact CE2-CG 4.42Å; Y430-K434 PolarHBondContact O-N 3.01Å; Y430-K434 WeakPolarHBondContact OH-CE 3.35Å; Y430-L522 HydrophobicContact CD2-CD2 4.24Å |
| 431 | R | 86.1 | Confident | 80.4 | Confident | 32 Ų | 32 | 47 Ų | 47 | 12% | 0.121 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.4 | -42.4 | 173.7 | -176.1 | -176.4 | -177.3 | -174.1 | 2.5 | 111.9 | L427 K428 M429 V435 Y446 I447 S449 L452 | L427-R431 PolarHBondContact O-N 3.03Å; K428-R431 PolarHBondContact O-N 3.25Å; M429-R431 VanDerWaalsContact C-N 3.32Å; M429-R431 PolarHBondContact O-N 3.39Å; R431-V435 VanDerWaalsContact O-CG2 3.31Å; R431-V435 WeakPolarHBondContact O-CG2 3.12Å; R431-V435 PolarHBondContact O-N 2.96Å; R431-Y446 PolarHBondContact NH2-OH 2.96Å; R431-I447 VanDerWaalsContact CZ-O 3.27Å; R431-I447 PolarHBondContact NE-O 3.22Å; R431-I447 PolarHBondContact NH2-O 3.42Å; R431-S449 PolarHBondContact NH1-OG 2.77Å; R431-L452 HydrophobicContact CB-CD1 4.44Å; R431-L452 HydrophobicContact CB-CD2 4.11Å; R431-L452 HydrophobicContact CG-CD1 4.39Å |
| 432 | V | 82.3 | Confident | 78 | Confident | 32 Ų | 32 | 55.2 Ų | 55.2 | 19% | 0.194 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60 | -51.8 | 173.7 | 174 | 0 | 0 | 0 | 0 | 109.9 | K428 M429 K434 V435 F436 V526 | K428-V432 PolarHBondContact O-N 2.65Å; K428-V432 VanDerWaalsContact O-N 3.15Å; M429-V432 WeakPolarHBondContact O-CB 3.42Å; M429-V432 PolarHBondContact O-N 3.27Å; M429-V432 VanDerWaalsContact O-N 3.12Å; V432-K434 PolarHBondContact O-N 2.97Å; V432-V435 PolarHBondContact O-N 2.04Å; V432-V435 VanDerWaalsContact O-N 3.15Å; V432-F436 HydrophobicContact CG1-CD2 4.02Å; V432-F436 HydrophobicContact CG1-CE2 4.13Å; V432-F436 WeakPolarHBondContact O-CD2 3.31Å; V432-F436 PolarHBondContact O-N 3.29Å; V432-F436 VanDerWaalsContact O-N 3.13Å; V432-V526 HydrophobicContact CG1-CG1 3.96Å |
| 433 | L | 83.5 | Confident | 75.8 | Confident | 28 Ų | 28 | 67 Ų | 67 | 15% | 0.147 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -53.7 | -48.8 | 179.1 | -174 | 56.9 | 0 | 0 | 0 | 112.4 | M429 Y430 V435 F436 L437 L522 A525 V526 | M429-L433 PolarHBondContact O-N 3.31Å; Y430-L433 PolarHBondContact O-N 3.34Å; L433-V435 PolarHBondContact O-N 3.35Å; L433-F436 PolarHBondContact O-N 2.9Å; L433-L437 HydrophobicContact CD1-CD1 4.19Å; L433-L437 HydrophobicContact CD1-CG 4.46Å; L433-L437 HydrophobicContact CG-CD1 3.97Å; L433-L437 WeakPolarHBondContact O-CG 3.3Å; L433-L437 PolarHBondContact O-N 3.36Å; L433-L522 HydrophobicContact CD2-CD2 4Å; L433-A525 HydrophobicContact CD1-CB 3.94Å; L433-A525 HydrophobicContact CD2-CB 3.94Å; L433-V526 HydrophobicContact CB-CG2 3.65Å; L433-V526 HydrophobicContact CD1-CG2 4.02Å; L433-V526 HydrophobicContact CG-CG2 4.28Å |
| 434 | K | 81.1 | Confident | 73.6 | Confident | 88 Ų | 88 | 73.5 Ų | 73.5 | 38% | 0.383 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.6 | -39.6 | 178.3 | -81.1 | -68.7 | -170.9 | 177.9 | 0 | 113.3 | Y430 V432 F436 L437 S438 | Y430-K434 HydrophobicContact CD1-CG 4.26Å; Y430-K434 HydrophobicContact CE1-CG 3.75Å; Y430-K434 HydrophobicContact CE2-CG 4.42Å; Y430-K434 PolarHBondContact O-N 3.01Å; Y430-K434 WeakPolarHBondContact OH-CE 3.35Å; V432-K434 PolarHBondContact O-N 2.97Å; K434-F436 PolarHBondContact O-N 3.36Å; K434-L437 PolarHBondContact O-N 2.96Å; K434-S438 WeakPolarHBondContact O-CB 3.04Å; K434-S438 PolarHBondContact O-N 2.71Å; K434-S438 PolarHBondContact O-OG 2.87Å |
| 435 | V | 77 | Confident | 71.7 | Confident | 62 Ų | 62 | 79 Ų | 79 | 38% | 0.376 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.1 | -43.3 | 177.1 | 167.1 | 0 | 0 | 0 | 0 | 111 | R431 V432 L433 S438 | R431-V435 VanDerWaalsContact O-CG2 3.31Å; R431-V435 WeakPolarHBondContact O-CG2 3.12Å; R431-V435 PolarHBondContact O-N 2.96Å; V432-V435 PolarHBondContact O-N 2.04Å; V432-V435 VanDerWaalsContact O-N 3.15Å; L433-V435 PolarHBondContact O-N 3.35Å; V435-S438 PolarHBondContact O-N 3.1Å; V435-S438 PolarHBondContact O-OG 2.03Å |
| 436 | F | 72.2 | Confident | 70.1 | Confident | 59 Ų | 59 | 86.1 Ų | 86.1 | 26% | 0.259 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -72.6 | -38.6 | 179.1 | -78.7 | -88.3 | 0 | 0 | 0 | 113.2 | V432 L433 K434 S438 R439 V529 | V432-F436 HydrophobicContact CG1-CD2 4.02Å; V432-F436 HydrophobicContact CG1-CE2 4.13Å; V432-F436 WeakPolarHBondContact O-CD2 3.31Å; V432-F436 PolarHBondContact O-N 3.29Å; V432-F436 VanDerWaalsContact O-N 3.13Å; L433-F436 PolarHBondContact O-N 2.9Å; K434-F436 PolarHBondContact O-N 3.36Å; F436-S438 VanDerWaalsContact C-N 3.3Å; F436-S438 PolarHBondContact O-N 3.06Å; F436-R439 PolarHBondContact O-N 3.28Å; F436-V529 HydrophobicContact CB-CG1 4.47Å; F436-V529 HydrophobicContact CB-CG2 4.15Å; F436-V529 HydrophobicContact CD1-CG1 3.59Å; F436-V529 HydrophobicContact CD2-CG1 3.46Å; F436-V529 VanDerWaalsContact CD2-CG1 3.46Å; F436-V529 HydrophobicContact CD2-CG2 4.42Å; F436-V529 HydrophobicContact CE1-CG1 3.53Å; F436-V529 HydrophobicContact CE2-CG1 3.41Å; F436-V529 VanDerWaalsContact CE2-CG1 3.41Å; F436-V529 HydrophobicContact CG-CG1 3.55Å; F436-V529 HydrophobicContact CG-CG2 4.1Å; F436-V529 HydrophobicContact CZ-CG1 3.44Å; F436-V529 VanDerWaalsContact CZ-CG1 3.44Å |
| 437 | L | 69.5 | Low | 69 | Low | 103 Ų | 103 | 88.8 Ų | 88.8 | 54% | 0.539 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59.7 | -39.3 | 171.9 | -71.8 | 167.3 | 0 | 0 | 0 | 112.3 | L433 K434 R439 T440 | L433-L437 HydrophobicContact CD1-CD1 4.19Å; L433-L437 HydrophobicContact CD1-CG 4.46Å; L433-L437 HydrophobicContact CG-CD1 3.97Å; L433-L437 WeakPolarHBondContact O-CG 3.3Å; L433-L437 PolarHBondContact O-N 3.36Å; K434-L437 PolarHBondContact O-N 2.96Å; L437-R439 PolarHBondContact O-N 3.13Å; L437-T440 PolarHBondContact O-N 2.04Å; L437-T440 VanDerWaalsContact O-N 3.14Å |
| 438 | S | 58.7 | Low | 68.4 | Low | 43 Ų | 43 | 91.1 Ų | 91.1 | 30% | 0.301 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -11.6 | 179.7 | 71.5 | 0 | 0 | 0 | 0 | 114.9 | K434 V435 F436 T440 | K434-S438 WeakPolarHBondContact O-CB 3.04Å; K434-S438 PolarHBondContact O-N 2.71Å; K434-S438 PolarHBondContact O-OG 2.87Å; V435-S438 PolarHBondContact O-N 3.1Å; V435-S438 PolarHBondContact O-OG 2.03Å; F436-S438 VanDerWaalsContact C-N 3.3Å; F436-S438 PolarHBondContact O-N 3.06Å; S438-T440 VanDerWaalsContact C-N 3.33Å |
| 439 | R | 59.7 | Low | 68 | Low | 196 Ų | 196 | 90.1 Ų | 90.1 | 74% | 0.74 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -19 | 172 | -75.3 | -177.5 | 166.1 | -175 | -6.1 | 113.2 | F436 L437 | F436-R439 PolarHBondContact O-N 3.28Å; L437-R439 PolarHBondContact O-N 3.13Å |
| 440 | T | 55.2 | Low | 67.6 | Low | 130 Ų | 130 | 96 Ų | 96 | 80% | 0.798 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | -23.6 | -176.4 | -37.4 | 0 | 0 | 0 | 0 | 112.8 | L437 S438 | L437-T440 PolarHBondContact O-N 2.04Å; L437-T440 VanDerWaalsContact O-N 3.14Å; S438-T440 VanDerWaalsContact C-N 3.33Å |
| 441 | A | 45.9 | Very low | 67.6 | Low | 71 Ų | 71 | 96.7 Ų | 96.7 | 59% | 0.587 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -151.6 | 120 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 442 | Q | 45.2 | Very low | 67.7 | Low | 172 Ų | 172 | 95.5 Ų | 95.5 | 80% | 0.804 | 48% | 0.48 | S | S | * | . | trans | 54.3 | 135.4 | 169.4 | -67.3 | -177.3 | -17.4 | 0 | 0 | 118.8 | M444 | Q442-M444 PolarHBondContact O-N 3.41Š| ||
| 443 | R | 47.6 | Very low | 67.9 | Low | 249 Ų | 249 | 96.7 Ų | 96.7 | 94% | 0.94 | 49% | 0.485 | S | S | * | . | trans | -68.8 | 91.5 | 179.8 | -70.9 | 178.6 | 175.5 | 165.9 | -3.2 | 112 | ||||
| 444 | M | 49.3 | Very low | 68.3 | Low | 138 Ų | 138 | 104.3 Ų | 104.3 | 68% | 0.68 | 51% | 0.512 | S | S | * | . | trans | -78.9 | 147.6 | 164.2 | -68.8 | -172.2 | 176 | 0 | 0 | 111.2 | Q442 | Q442-M444 PolarHBondContact O-N 3.41Š| ||
| 445 | P | 52.6 | Low | 68.8 | Low | 119 Ų | 119 | 103 Ų | 103 | 77% | 0.773 | 51% | 0.508 | S | S | * | . | trans | -66.1 | 142.7 | -176 | 25.5 | -34.2 | 0 | 0 | 0 | 113 | I447 | P445-I447 PolarHBondContact O-N 2.8Å; P445-I447 VanDerWaalsContact O-N 3.17Å | ||
| 446 | Y | 59.1 | Low | 69.6 | Low | 150 Ų | 150 | 100.2 Ų | 100.2 | 59% | 0.588 | 49% | 0.492 | S | S | * | . | trans | -62.7 | 112.8 | -179.4 | 170.7 | -97.8 | 0 | 0 | 0 | 111.7 | R431 S448 | R431-Y446 PolarHBondContact NH2-OH 2.96Å; Y446-S448 PolarHBondContact O-N 3.4Å | ||
| 447 | I | 69.6 | Low | 70.6 | Confident | 58 Ų | 58 | 98.9 Ų | 98.9 | 30% | 0.297 | 49% | 0.494 | S | S | . | . | trans | -67.9 | 116.1 | -178.3 | -49.9 | 177.3 | 0 | 0 | 0 | 109.8 | R431 P445 H451 L452 | R431-I447 VanDerWaalsContact CZ-O 3.27Å; R431-I447 PolarHBondContact NE-O 3.22Å; R431-I447 PolarHBondContact NH2-O 3.42Å; P445-I447 PolarHBondContact O-N 2.8Å; P445-I447 VanDerWaalsContact O-N 3.17Å; I447-H451 HydrophobicContact CG2-CB 3.97Å; I447-L452 HydrophobicContact CB-CD1 4.36Å; I447-L452 HydrophobicContact CG2-CD1 3.52Å | ||
| 448 | S | 79.4 | Confident | 71.8 | Confident | 67 Ų | 67 | 98.3 Ų | 98.3 | 47% | 0.469 | 50% | 0.495 | S | S | . | . | trans | -69.1 | 147.4 | 175.4 | 178.2 | 0 | 0 | 0 | 0 | 112 | Y446 L450 H451 L452 | Y446-S448 PolarHBondContact O-N 3.4Å; S448-L450 PolarHBondContact O-N 3.27Å; S448-H451 WeakPolarHBondContact O-CA 3.5Å; S448-H451 VanDerWaalsContact O-CB 3.28Å; S448-H451 WeakPolarHBondContact O-CB 3.42Å; S448-H451 PolarHBondContact O-N 2.04Å; S448-L452 PolarHBondContact O-N 3.26Å | ||
| 449 | S | 77.9 | Confident | 73.4 | Confident | 8 Ų | 8 | 99.4 Ų | 99.4 | 6% | 0.056 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -63.9 | -24.2 | 178.4 | -57.8 | 0 | 0 | 0 | 0 | 113.3 | S376 R431 H451 L452 L453 | S376-S449 PolarHBondContact O-OG 3.17Å; S376-S449 PolarHBondContact OG-OG 2.88Å; R431-S449 PolarHBondContact NH1-OG 2.77Å; S449-H451 VanDerWaalsContact C-N 3.28Å; S449-H451 PolarHBondContact O-N 2.9Å; S449-L452 WeakPolarHBondContact O-CB 3.34Å; S449-L452 PolarHBondContact O-N 3.42Å; S449-L453 PolarHBondContact O-N 3.24Å |
| 450 | L | 81.4 | Confident | 75.1 | Confident | 124 Ų | 124 | 92 Ų | 92 | 65% | 0.649 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -67.5 | -30.1 | 171.2 | -175.4 | 62.3 | 0 | 0 | 0 | 112 | S448 L453 R454 | S448-L450 PolarHBondContact O-N 3.27Å; L450-L453 HydrophobicContact CD1-CD2 4.45Å; L450-L453 PolarHBondContact O-N 2.88Å; L450-R454 PolarHBondContact O-N 3.11Å |
| 451 | H | 86.6 | Confident | 77 | Confident | 101 Ų | 101 | 92.3 Ų | 92.3 | 47% | 0.468 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -73.1 | -37.9 | 173.8 | -169.3 | 105.8 | 0 | 0 | 0 | 111.1 | I447 S448 S449 L453 R454 I455 | I447-H451 HydrophobicContact CG2-CB 3.97Å; S448-H451 WeakPolarHBondContact O-CA 3.5Å; S448-H451 VanDerWaalsContact O-CB 3.28Å; S448-H451 WeakPolarHBondContact O-CB 3.42Å; S448-H451 PolarHBondContact O-N 2.04Å; S449-H451 VanDerWaalsContact C-N 3.28Å; S449-H451 PolarHBondContact O-N 2.9Å; H451-L453 VanDerWaalsContact C-N 3.32Å; H451-L453 PolarHBondContact O-N 2.78Å; H451-R454 PolarHBondContact O-N 2.86Å; H451-I455 WeakPolarHBondContact O-CG1 3.38Å; H451-I455 PolarHBondContact O-N 3.25Å |
| 452 | L | 87.3 | Confident | 79.3 | Confident | 8 Ų | 8 | 92.7 Ų | 92.7 | 4% | 0.042 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -58.8 | -44 | 168.5 | -92.4 | 68.5 | 0 | 0 | 0 | 111.3 | L380 R431 I447 S448 S449 R454 I455 L456 | L380-L452 HydrophobicContact CD1-CD2 4.37Å; R431-L452 HydrophobicContact CB-CD1 4.44Å; R431-L452 HydrophobicContact CB-CD2 4.11Å; R431-L452 HydrophobicContact CG-CD1 4.39Å; I447-L452 HydrophobicContact CB-CD1 4.36Å; I447-L452 HydrophobicContact CG2-CD1 3.52Å; S448-L452 PolarHBondContact O-N 3.26Å; S449-L452 WeakPolarHBondContact O-CB 3.34Å; S449-L452 PolarHBondContact O-N 3.42Å; L452-R454 VanDerWaalsContact C-N 3.32Å; L452-R454 PolarHBondContact O-N 3.21Å; L452-I455 PolarHBondContact O-N 2.82Å; L452-L456 PolarHBondContact O-N 3.04Å |
| 453 | L | 87 | Confident | 81.7 | Confident | 56 Ų | 56 | 85.8 Ų | 85.8 | 29% | 0.293 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.6 | -35 | 177.2 | -172.2 | 64.1 | 0 | 0 | 0 | 112.2 | L379 T383 S449 L450 H451 L456 G457 | L379-L453 HydrophobicContact CD2-CD2 4.27Å; T383-L453 HydrophobicContact CG2-CD1 4Å; S449-L453 PolarHBondContact O-N 3.24Å; L450-L453 HydrophobicContact CD1-CD2 4.45Å; L450-L453 PolarHBondContact O-N 2.88Å; H451-L453 VanDerWaalsContact C-N 3.32Å; H451-L453 PolarHBondContact O-N 2.78Å; L453-L456 HydrophobicContact CD1-CD2 4.02Å; L453-L456 PolarHBondContact O-N 2.86Å; L453-G457 PolarHBondContact O-N 3.47Å |
| 454 | R | 91.4 | Very high | 83.9 | Confident | 189 Ų | 189 | 75.4 Ų | 75.4 | 71% | 0.713 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -64.2 | -41.5 | 171.7 | 179.8 | 176.1 | -82 | -179.7 | -5.7 | 112 | L450 H451 L452 G457 V458 | L450-R454 PolarHBondContact O-N 3.11Å; H451-R454 PolarHBondContact O-N 2.86Å; L452-R454 VanDerWaalsContact C-N 3.32Å; L452-R454 PolarHBondContact O-N 3.21Å; R454-G457 PolarHBondContact O-N 2.75Å; R454-V458 PolarHBondContact O-N 2.84Å; R454-V458 VanDerWaalsContact O-N 3.08Å |
| 455 | I | 91.8 | Very high | 86.1 | Confident | 60 Ų | 60 | 78.5 Ų | 78.5 | 31% | 0.308 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.9 | -42.4 | 175.1 | -62.5 | 166.1 | 0 | 0 | 0 | 110.6 | L427 H451 L452 G457 V458 M459 | L427-I455 HydrophobicContact CD1-CB 4.32Å; L427-I455 HydrophobicContact CD1-CG2 4.06Å; L427-I455 HydrophobicContact CD2-CB 4.34Å; L427-I455 HydrophobicContact CD2-CG2 3.57Å; L427-I455 HydrophobicContact CG-CG2 4.5Å; H451-I455 WeakPolarHBondContact O-CG1 3.38Å; H451-I455 PolarHBondContact O-N 3.25Å; L452-I455 PolarHBondContact O-N 2.82Å; I455-G457 VanDerWaalsContact C-N 3.3Å; I455-G457 PolarHBondContact O-N 2.78Å; I455-V458 PolarHBondContact O-N 3.28Å; I455-M459 WeakPolarHBondContact O-CG 3.25Å; I455-M459 PolarHBondContact O-N 2.72Å |
| 456 | L | 93.9 | Very high | 88 | Confident | 4 Ų | 4 | 75.8 Ų | 75.8 | 2% | 0.021 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -58.7 | -42.7 | 172.5 | -172 | 78.3 | 0 | 0 | 0 | 111.3 | T424 L427 L452 L453 V458 M459 L460 | T424-L456 HydrophobicContact CG2-CD1 3.89Å; T424-L456 HydrophobicContact CG2-CD2 3.48Å; T424-L456 VanDerWaalsContact CG2-CD2 3.48Å; T424-L456 HydrophobicContact CG2-CG 4.29Å; L427-L456 HydrophobicContact CD1-CB 3.88Å; L427-L456 HydrophobicContact CD1-CD1 4.06Å; L452-L456 PolarHBondContact O-N 3.04Å; L453-L456 HydrophobicContact CD1-CD2 4.02Å; L453-L456 PolarHBondContact O-N 2.86Å; L456-V458 VanDerWaalsContact C-N 3.31Å; L456-V458 PolarHBondContact O-N 2.81Å; L456-M459 CarbonylContact O-C 3.51Å; L456-M459 WeakPolarHBondContact O-CB 3.48Å; L456-M459 PolarHBondContact O-N 3.35Å; L456-M459 VanDerWaalsContact O-N 3.12Å; L456-L460 HydrophobicContact CD2-CD1 4.2Å; L456-L460 HydrophobicContact CG-CD1 4Å; L456-L460 HydrophobicContact CG-CG 4.39Å; L456-L460 WeakPolarHBondContact O-CG 3.22Å; L456-L460 PolarHBondContact O-N 2.98Å |
| 457 | G | 93.4 | Very high | 89.6 | Confident | 31 Ų | 31 | 68.7 Ų | 68.7 | 32% | 0.32 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -55.9 | -43.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L453 R454 I455 L460 M461 | L453-G457 PolarHBondContact O-N 3.47Å; R454-G457 PolarHBondContact O-N 2.75Å; I455-G457 VanDerWaalsContact C-N 3.3Å; I455-G457 PolarHBondContact O-N 2.78Å; G457-L460 PolarHBondContact O-N 3.28Å; G457-M461 VanDerWaalsContact O-CG 3.32Å; G457-M461 WeakPolarHBondContact O-CG 3.46Å; G457-M461 PolarHBondContact O-N 2.99Å |
| 458 | V | 95.1 | Very high | 90.8 | Very high | 91 Ų | 91 | 68.5 Ų | 68.5 | 55% | 0.552 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -62.8 | -43.6 | 174.4 | 176.4 | 0 | 0 | 0 | 0 | 111.5 | R454 I455 L456 L460 M461 T462 | R454-V458 PolarHBondContact O-N 2.84Å; R454-V458 VanDerWaalsContact O-N 3.08Å; I455-V458 PolarHBondContact O-N 3.28Å; L456-V458 VanDerWaalsContact C-N 3.31Å; L456-V458 PolarHBondContact O-N 2.81Å; V458-L460 VanDerWaalsContact C-N 3.29Å; V458-L460 PolarHBondContact O-N 3.24Å; V458-M461 PolarHBondContact O-N 2.04Å; V458-T462 PolarHBondContact O-N 2.82Å; V458-T462 VanDerWaalsContact O-N 3.07Å; V458-T462 PolarHBondContact O-OG1 2.97Å |
| 459 | M | 92.8 | Very high | 91.4 | Very high | 65 Ų | 65 | 68 Ų | 68 | 32% | 0.32 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.9 | -32 | 175.6 | -67.7 | -67.6 | -63.9 | 0 | 0 | 113.4 | I455 L456 T462 V463 F515 | I455-M459 WeakPolarHBondContact O-CG 3.25Å; I455-M459 PolarHBondContact O-N 2.72Å; L456-M459 CarbonylContact O-C 3.51Å; L456-M459 WeakPolarHBondContact O-CB 3.48Å; L456-M459 PolarHBondContact O-N 3.35Å; L456-M459 VanDerWaalsContact O-N 3.12Å; M459-T462 PolarHBondContact O-OG1 2.99Å; M459-T462 VanDerWaalsContact O-OG1 3.07Å; M459-V463 WeakPolarHBondContact O-CG2 3.32Å; M459-V463 PolarHBondContact O-N 2.86Å; M459-F515 HydrophobicContact CE-CD2 4.33Å; M459-F515 HydrophobicContact CE-CE2 3.72Å; M459-F515 HydrophobicContact CE-CZ 4.46Å |
| 460 | L | 95.3 | Very high | 92.1 | Very high | 41 Ų | 41 | 67.9 Ų | 67.9 | 22% | 0.215 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -77.4 | -36.5 | 175.7 | -67.9 | 168.2 | 0 | 0 | 0 | 111.6 | L416 V420 L456 G457 V458 V463 S464 | L416-L460 HydrophobicContact CD2-CD2 4.33Å; V420-L460 HydrophobicContact CG2-CD1 4.01Å; V420-L460 HydrophobicContact CG2-CD2 3.68Å; V420-L460 HydrophobicContact CG2-CG 4.49Å; L456-L460 HydrophobicContact CD2-CD1 4.2Å; L456-L460 HydrophobicContact CG-CD1 4Å; L456-L460 HydrophobicContact CG-CG 4.39Å; L456-L460 WeakPolarHBondContact O-CG 3.22Å; L456-L460 PolarHBondContact O-N 2.98Å; G457-L460 PolarHBondContact O-N 3.28Å; V458-L460 VanDerWaalsContact C-N 3.29Å; V458-L460 PolarHBondContact O-N 3.24Å; L460-V463 PolarHBondContact O-N 3.07Å; L460-S464 VanDerWaalsContact O-CB 3.26Å; L460-S464 WeakPolarHBondContact O-CB 3.04Å; L460-S464 PolarHBondContact O-N 3.19Å |
| 461 | M | 95.4 | Very high | 92.5 | Very high | 136 Ų | 136 | 63.4 Ų | 63.4 | 67% | 0.67 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -65.2 | -38.2 | 175.2 | -71.8 | -57 | -60.7 | 0 | 0 | 112.4 | G457 V458 S464 W465 | G457-M461 VanDerWaalsContact O-CG 3.32Å; G457-M461 WeakPolarHBondContact O-CG 3.46Å; G457-M461 PolarHBondContact O-N 2.99Å; V458-M461 PolarHBondContact O-N 2.04Å; M461-S464 PolarHBondContact O-N 2.61Å; M461-W465 WeakPolarHBondContact O-CB 3.35Å; M461-W465 PolarHBondContact O-N 2.73Å |
| 462 | T | 93.6 | Very high | 92.7 | Very high | 79 Ų | 79 | 63.2 Ų | 63.2 | 49% | 0.485 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -68.9 | -41 | 176.3 | 53.4 | 0 | 0 | 0 | 0 | 112.4 | V458 M459 W465 F466 | V458-T462 PolarHBondContact O-N 2.82Å; V458-T462 VanDerWaalsContact O-N 3.07Å; V458-T462 PolarHBondContact O-OG1 2.97Å; M459-T462 PolarHBondContact O-OG1 2.99Å; M459-T462 VanDerWaalsContact O-OG1 3.07Å; T462-W465 PolarHBondContact O-N 3.46Å; T462-F466 PolarHBondContact O-N 3.14Å; T462-F466 VanDerWaalsContact O-N 3.11Å |
| 463 | V | 94.6 | Very high | 92.7 | Very high | 28 Ų | 28 | 63.9 Ų | 63.9 | 17% | 0.17 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.3 | -43.2 | 173.1 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | M415 L416 M459 L460 W465 F466 L467 | M415-V463 HydrophobicContact CB-CG1 4.24Å; L416-V463 HydrophobicContact CD2-CG1 4.21Å; M459-V463 WeakPolarHBondContact O-CG2 3.32Å; M459-V463 PolarHBondContact O-N 2.86Å; L460-V463 PolarHBondContact O-N 3.07Å; V463-W465 PolarHBondContact O-N 3.1Å; V463-F466 PolarHBondContact O-N 3.03Å; V463-L467 HydrophobicContact CG1-CD1 3.89Å; V463-L467 HydrophobicContact CG1-CG 4.49Å; V463-L467 WeakPolarHBondContact O-CG 3.44Å; V463-L467 PolarHBondContact O-N 2.86Å |
| 464 | S | 94.1 | Very high | 92.6 | Very high | 31 Ų | 31 | 61.7 Ų | 61.7 | 22% | 0.217 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.5 | -39.7 | 176.5 | -169.8 | 0 | 0 | 0 | 0 | 112.3 | L460 M461 L467 C468 | L460-S464 VanDerWaalsContact O-CB 3.26Å; L460-S464 WeakPolarHBondContact O-CB 3.04Å; L460-S464 PolarHBondContact O-N 3.19Å; M461-S464 PolarHBondContact O-N 2.61Å; S464-L467 PolarHBondContact O-N 3.35Å; S464-C468 PolarHBondContact O-N 2.94Å; S464-C468 PolarHBondContact O-SG 3.07Å |
| 465 | W | 95.4 | Very high | 92.2 | Very high | 203 Ų | 203 | 57.4 Ų | 57.4 | 77% | 0.769 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -61.4 | -45.6 | 175.3 | 171.6 | -96.8 | 0 | 0 | 0 | 112 | M461 T462 V463 C468 A469 | M461-W465 WeakPolarHBondContact O-CB 3.35Å; M461-W465 PolarHBondContact O-N 2.73Å; T462-W465 PolarHBondContact O-N 3.46Å; V463-W465 PolarHBondContact O-N 3.1Å; W465-C468 WeakPolarHBondContact O-CB 3.05Å; W465-C468 PolarHBondContact O-N 3.37Å; W465-A469 PolarHBondContact O-N 3.42Å |
| 466 | F | 93.1 | Very high | 91.9 | Very high | 62 Ų | 62 | 59.5 Ų | 59.5 | 27% | 0.272 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.8 | -45.2 | 175.1 | -176.7 | -80.8 | 0 | 0 | 0 | 111.6 | T462 V463 C468 A469 W470 W504 M508 | T462-F466 PolarHBondContact O-N 3.14Å; T462-F466 VanDerWaalsContact O-N 3.11Å; V463-F466 PolarHBondContact O-N 3.03Å; F466-C468 VanDerWaalsContact C-N 3.35Å; F466-C468 PolarHBondContact O-N 3.44Å; F466-A469 PolarHBondContact O-N 3.21Å; F466-W470 WeakPolarHBondContact O-CB 3.44Å; F466-W470 PolarHBondContact O-N 3.29Å; F466-W504 HydrophobicContact CE1-CE3 4.22Å; F466-W504 HydrophobicContact CE2-CE3 4.4Å; F466-W504 HydrophobicContact CE2-CZ3 4.08Å; F466-W504 AromaticContact CZ-CE3 3.67Å; F466-W504 HydrophobicContact CZ-CE3 3.67Å; F466-W504 AromaticContact CZ-CZ3 3.8Å; F466-W504 HydrophobicContact CZ-CZ3 3.8Å; F466-M508 HydrophobicContact CD1-CE 3.45Å; F466-M508 VanDerWaalsContact CD1-CE 3.45Å; F466-M508 HydrophobicContact CD1-SD 3.77Å; F466-M508 HydrophobicContact CE1-CE 3.5Å; F466-M508 HydrophobicContact CE1-CG 3.95Å; F466-M508 HydrophobicContact CE1-SD 3.41Å; F466-M508 WeakPolarHBondContact CE1-SD 3.35Å; F466-M508 HydrophobicContact CZ-SD 4.19Å |
| 467 | L | 93.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.3 | -38.7 | 177.3 | -74.1 | 165.9 | 0 | 0 | 0 | 112.5 | W412 M415 L416 V463 S464 T471 M508 | W412-L467 HydrophobicContact CD2-CB 3.97Å; W412-L467 HydrophobicContact CD2-CD1 4.02Å; W412-L467 HydrophobicContact CD2-CG 4.46Å; W412-L467 HydrophobicContact CE3-CB 4.38Å; W412-L467 HydrophobicContact CE3-CD1 4.04Å; W412-L467 HydrophobicContact CG-CB 4.5Å; W412-L467 HydrophobicContact CG-CD1 4.31Å; W412-L467 HydrophobicContact CG-CD2 4.4Å; W412-L467 HydrophobicContact CH2-CB 4.11Å; W412-L467 HydrophobicContact CZ2-CB 3.67Å; W412-L467 HydrophobicContact CZ3-CB 4.44Å; M415-L467 HydrophobicContact CB-CD1 4.14Å; M415-L467 HydrophobicContact CB-CD2 4.38Å; M415-L467 HydrophobicContact CG-CD2 4.37Å; L416-L467 HydrophobicContact CD2-CD1 4.4Å; L416-L467 HydrophobicContact CG-CD1 4.2Å; V463-L467 HydrophobicContact CG1-CD1 3.89Å; V463-L467 HydrophobicContact CG1-CG 4.49Å; V463-L467 WeakPolarHBondContact O-CG 3.44Å; V463-L467 PolarHBondContact O-N 2.86Å; S464-L467 PolarHBondContact O-N 3.35Å; L467-T471 PolarHBondContact O-N 3.11Å; L467-T471 PolarHBondContact O-OG1 2.98Å; L467-T471 VanDerWaalsContact O-OG1 3.09Å; L467-M508 HydrophobicContact CD2-CE 3.47Å; L467-M508 VanDerWaalsContact CD2-CE 3.47Å; L467-M508 HydrophobicContact CG-CE 4.02Å |
| 468 | C | 93.9 | Very high | 90.4 | Very high | 54 Ų | 54 | 66 Ų | 66 | 37% | 0.365 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.6 | -53.5 | 172.1 | -75.4 | 0 | 0 | 0 | 0 | 111.5 | S464 W465 F466 W470 T471 V472 | S464-C468 PolarHBondContact O-N 2.94Å; S464-C468 PolarHBondContact O-SG 3.07Å; W465-C468 WeakPolarHBondContact O-CB 3.05Å; W465-C468 PolarHBondContact O-N 3.37Å; F466-C468 VanDerWaalsContact C-N 3.35Å; F466-C468 PolarHBondContact O-N 3.44Å; C468-W470 VanDerWaalsContact C-N 3.29Å; C468-W470 PolarHBondContact O-N 3.49Å; C468-T471 WeakPolarHBondContact CA-OG1 3.4Å; C468-T471 PolarHBondContact O-N 3.46Å; C468-T471 VanDerWaalsContact O-N 3.11Å; C468-T471 PolarHBondContact O-OG1 3.26Å; C468-V472 WeakPolarHBondContact O-CG2 3.15Å; C468-V472 PolarHBondContact O-N 2.84Å |
| 469 | A | 92.4 | Very high | 89.4 | Confident | 56 Ų | 56 | 67.5 Ų | 67.5 | 46% | 0.463 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -57.9 | -42.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | W465 F466 V472 G473 | W465-A469 PolarHBondContact O-N 3.42Å; F466-A469 PolarHBondContact O-N 3.21Å; A469-V472 PolarHBondContact O-N 2.96Å; A469-G473 PolarHBondContact O-N 2.78Å; A469-G473 VanDerWaalsContact O-N 3.12Å |
| 470 | W | 91.5 | Very high | 88.6 | Confident | 7 Ų | 7 | 72.2 Ų | 72.2 | 3% | 0.027 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.4 | -46.3 | 173.4 | 172.2 | 72 | 0 | 0 | 0 | 112.6 | I408 R411 F466 C468 V472 G473 V474 W504 | I408-W470 HydrophobicContact CB-CH2 4.49Å; I408-W470 HydrophobicContact CB-CZ3 4.43Å; I408-W470 HydrophobicContact CG1-CH2 3.97Å; I408-W470 HydrophobicContact CG1-CZ3 4.18Å; I408-W470 HydrophobicContact CG2-CZ3 4.32Å; R411-W470 HydrophobicContact CB-CH2 4.47Å; R411-W470 HydrophobicContact CB-CZ3 4.32Å; R411-W470 HydrophobicContact CG-CH2 4.43Å; F466-W470 WeakPolarHBondContact O-CB 3.44Å; F466-W470 PolarHBondContact O-N 3.29Å; C468-W470 VanDerWaalsContact C-N 3.29Å; C468-W470 PolarHBondContact O-N 3.49Å; W470-V472 VanDerWaalsContact C-N 3.33Å; W470-V472 PolarHBondContact O-N 2.98Å; W470-G473 PolarHBondContact O-N 2.78Å; W470-V474 HydrophobicContact CD2-CG2 4.35Å; W470-V474 HydrophobicContact CH2-CG2 4.34Å; W470-V474 HydrophobicContact CZ2-CB 4.45Å; W470-V474 HydrophobicContact CZ2-CG2 3.55Å; W470-V474 PolarHBondContact O-N 2.98Å; W470-W504 VanDerWaalsContact CD1-CB 3.46Å; W470-W504 AromaticContact CD1-CD1 3.78Å; W470-W504 AromaticContact CD1-CD2 3.76Å; W470-W504 AromaticContact CD1-CG 3.37Å; W470-W504 AromaticContact NE1-CD1 3.99Å; W470-W504 AromaticContact NE1-CG 3.8Å |
| 471 | T | 91 | Very high | 87.3 | Confident | 30 Ų | 30 | 77.4 Ų | 77.4 | 18% | 0.184 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -63.1 | -35.7 | 178.1 | 43.4 | 0 | 0 | 0 | 0 | 113.7 | I408 L467 C468 V474 L475 | I408-T471 HydrophobicContact CG1-CG2 4.36Å; I408-T471 HydrophobicContact CG2-CG2 3.55Å; L467-T471 PolarHBondContact O-N 3.11Å; L467-T471 PolarHBondContact O-OG1 2.98Å; L467-T471 VanDerWaalsContact O-OG1 3.09Å; C468-T471 WeakPolarHBondContact CA-OG1 3.4Å; C468-T471 PolarHBondContact O-N 3.46Å; C468-T471 VanDerWaalsContact O-N 3.11Å; C468-T471 PolarHBondContact O-OG1 3.26Å; T471-V474 PolarHBondContact O-N 3.17Å; T471-L475 WeakPolarHBondContact O-CB 3.25Å; T471-L475 PolarHBondContact O-N 2.85Å |
| 472 | V | 90.7 | Very high | 86.1 | Confident | 96 Ų | 96 | 74.7 Ų | 74.7 | 58% | 0.582 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -65 | -43.5 | 175.2 | 173.7 | 0 | 0 | 0 | 0 | 110.3 | C468 A469 W470 V474 L475 Q476 | C468-V472 WeakPolarHBondContact O-CG2 3.15Å; C468-V472 PolarHBondContact O-N 2.84Å; A469-V472 PolarHBondContact O-N 2.96Å; W470-V472 VanDerWaalsContact C-N 3.33Å; W470-V472 PolarHBondContact O-N 2.98Å; V472-V474 PolarHBondContact O-N 3.28Å; V472-L475 PolarHBondContact O-N 3.34Å; V472-Q476 WeakPolarHBondContact O-CB 3.41Å; V472-Q476 PolarHBondContact O-N 2.76Å |
| 473 | G | 87.1 | Confident | 84.9 | Confident | 22 Ų | 22 | 74.8 Ų | 74.8 | 23% | 0.227 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -60.5 | -42 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A469 W470 Q476 N477 | A469-G473 PolarHBondContact O-N 2.78Å; A469-G473 VanDerWaalsContact O-N 3.12Å; W470-G473 PolarHBondContact O-N 2.78Å; G473-Q476 PolarHBondContact O-N 3.05Å; G473-N477 WeakPolarHBondContact O-CB 3.43Å; G473-N477 VanDerWaalsContact O-CG 3.27Å; G473-N477 PolarHBondContact O-N 2.92Å |
| 474 | V | 84.7 | Confident | 83.7 | Confident | 11 Ų | 11 | 74.3 Ų | 74.3 | 7% | 0.067 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -68.6 | -36.9 | 176.5 | 171 | 0 | 0 | 0 | 0 | 112.4 | W470 T471 V472 N477 R478 V484 | W470-V474 HydrophobicContact CD2-CG2 4.35Å; W470-V474 HydrophobicContact CH2-CG2 4.34Å; W470-V474 HydrophobicContact CZ2-CB 4.45Å; W470-V474 HydrophobicContact CZ2-CG2 3.55Å; W470-V474 PolarHBondContact O-N 2.98Å; T471-V474 PolarHBondContact O-N 3.17Å; V472-V474 PolarHBondContact O-N 3.28Å; V474-N477 PolarHBondContact O-N 3.01Å; V474-R478 PolarHBondContact O-N 2.81Å; V474-R478 VanDerWaalsContact O-N 3.07Å; V474-V484 HydrophobicContact CG1-CG1 3.95Å; V474-V484 HydrophobicContact CG1-CG2 3.93Å |
| 475 | L | 84.1 | Confident | 82.8 | Confident | 98 Ų | 98 | 77.2 Ų | 77.2 | 51% | 0.513 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -67.2 | -42.3 | 175.6 | -167.7 | 63.2 | 0 | 0 | 0 | 111.1 | T471 V472 N477 R478 D479 | T471-L475 WeakPolarHBondContact O-CB 3.25Å; T471-L475 PolarHBondContact O-N 2.85Å; V472-L475 PolarHBondContact O-N 3.34Å; L475-N477 VanDerWaalsContact C-N 3.31Å; L475-N477 PolarHBondContact O-N 3.3Å; L475-R478 VanDerWaalsContact O-CB 3.31Å; L475-R478 WeakPolarHBondContact O-CB 3.46Å; L475-R478 PolarHBondContact O-N 2.04Å; L475-D479 PolarHBondContact O-N 3.39Å |
| 476 | Q | 84.6 | Confident | 81.7 | Confident | 104 Ų | 104 | 69.8 Ų | 69.8 | 49% | 0.486 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65.8 | -32.2 | 174.8 | -168.7 | 177.2 | 33.7 | 0 | 0 | 112.9 | V472 G473 D479 R480 | V472-Q476 WeakPolarHBondContact O-CB 3.41Å; V472-Q476 PolarHBondContact O-N 2.76Å; G473-Q476 PolarHBondContact O-N 3.05Å; Q476-D479 PolarHBondContact O-N 3.05Å; Q476-R480 PolarHBondContact O-N 2.79Å |
| 477 | N | 80.6 | Confident | 80.8 | Confident | 45 Ų | 45 | 71.3 Ų | 71.3 | 24% | 0.241 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -70.4 | -32 | 174.1 | -78.2 | -13.3 | 0 | 0 | 0 | 112.6 | G473 V474 L475 R480 I482 | G473-N477 WeakPolarHBondContact O-CB 3.43Å; G473-N477 VanDerWaalsContact O-CG 3.27Å; G473-N477 PolarHBondContact O-N 2.92Å; V474-N477 PolarHBondContact O-N 3.01Å; L475-N477 VanDerWaalsContact C-N 3.31Å; L475-N477 PolarHBondContact O-N 3.3Å; N477-R480 CarbonylContact O-C 3.6Å; N477-R480 PolarHBondContact O-N 3.46Å; N477-I482 HydrophobicContact CB-CB 4.26Å; N477-I482 HydrophobicContact CB-CD1 4.16Å; N477-I482 WeakPolarHBondContact O-CB 3.23Å; N477-I482 PolarHBondContact O-N 3.46Å |
| 478 | R | 75.5 | Confident | 79.7 | Confident | 126 Ų | 126 | 72.3 Ų | 72.3 | 48% | 0.475 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.5 | -45.3 | 171.8 | 179.6 | -162.2 | 175.3 | 99.4 | 2 | 111.2 | T404 V474 L475 R480 N481 V484 | T404-R478 PolarHBondContact OG1-NH1 3.33Å; V474-R478 PolarHBondContact O-N 2.81Å; V474-R478 VanDerWaalsContact O-N 3.07Å; L475-R478 VanDerWaalsContact O-CB 3.31Å; L475-R478 WeakPolarHBondContact O-CB 3.46Å; L475-R478 PolarHBondContact O-N 2.04Å; R478-R480 PolarHBondContact O-N 3.22Å; R478-N481 PolarHBondContact O-N 3.31Å; R478-V484 HydrophobicContact CB-CG2 4.44Å |
| 479 | D | 72.9 | Confident | 78.7 | Confident | 123 Ų | 123 | 73.6 Ų | 73.6 | 66% | 0.658 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -66.3 | -18.2 | 178.9 | -59.3 | -22.4 | 0 | 0 | 0 | 112.5 | L475 Q476 N481 | L475-D479 PolarHBondContact O-N 3.39Å; Q476-D479 PolarHBondContact O-N 3.05Å; D479-N481 VanDerWaalsContact C-N 3.33Å |
| 480 | R | 76.2 | Confident | 77.7 | Confident | 164 Ų | 164 | 71.9 Ų | 71.9 | 62% | 0.619 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | 17.6 | 171.7 | -68.1 | 176.1 | 168.9 | 173.2 | -3.5 | 113.5 | Q476 N477 R478 I482 | Q476-R480 PolarHBondContact O-N 2.79Å; N477-R480 CarbonylContact O-C 3.6Å; N477-R480 PolarHBondContact O-N 3.46Å; R478-R480 PolarHBondContact O-N 3.22Å; R480-I482 HydrophobicContact CB-CG1 4.49Å; R480-I482 PolarHBondContact O-N 3.22Å |
| 481 | N | 68 | Low | 76.6 | Confident | 150 Ų | 150 | 77 Ų | 77 | 80% | 0.802 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | 21.5 | -179.1 | -62.8 | -45.3 | 0 | 0 | 0 | 115.5 | R478 D479 P483 | R478-N481 PolarHBondContact O-N 3.31Å; D479-N481 VanDerWaalsContact C-N 3.33Å; N481-P483 WeakPolarHBondContact O-CD 3Å |
| 482 | I | 70.2 | Confident | 75.5 | Confident | 79 Ų | 79 | 80.3 Ų | 80.3 | 41% | 0.405 | 43% | 0.433 | S | S | . | . | trans | -82.7 | 120.6 | 174.4 | -55.4 | 176.4 | 0 | 0 | 0 | 108.8 | N477 R480 V484 | N477-I482 HydrophobicContact CB-CB 4.26Å; N477-I482 HydrophobicContact CB-CD1 4.16Å; N477-I482 WeakPolarHBondContact O-CB 3.23Å; N477-I482 PolarHBondContact O-N 3.46Å; R480-I482 HydrophobicContact CB-CG1 4.49Å; R480-I482 PolarHBondContact O-N 3.22Å; I482-V484 PolarHBondContact O-N 3Å | ||
| 483 | P | 69.1 | Low | 74.3 | Confident | 81 Ų | 81 | 76.4 Ų | 76.4 | 53% | 0.526 | 41% | 0.412 | S | S | . | . | trans | -75.4 | 119.2 | -171.4 | 29.1 | -35 | 0 | 0 | 0 | 112.8 | N481 F485 V486 | N481-P483 WeakPolarHBondContact O-CD 3Å; P483-F485 PolarHBondContact O-N 2.93Å; P483-V486 HydrophobicContact CG-CG2 4.37Å | ||
| 484 | V | 69.1 | Low | 73.8 | Confident | 18 Ų | 18 | 77.7 Ų | 77.7 | 11% | 0.109 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -71.9 | -15.8 | 179.6 | -174.9 | 0 | 0 | 0 | 0 | 112.9 | T404 V474 R478 I482 Y500 | T404-V484 HydrophobicContact CG2-CB 4.42Å; T404-V484 HydrophobicContact CG2-CG1 4.18Å; T404-V484 HydrophobicContact CG2-CG2 4.38Å; V474-V484 HydrophobicContact CG1-CG1 3.95Å; V474-V484 HydrophobicContact CG1-CG2 3.93Å; R478-V484 HydrophobicContact CB-CG2 4.44Å; I482-V484 PolarHBondContact O-N 3Å; V484-Y500 WeakPolarHBondContact O-CB 3.5Å; V484-Y500 PolarHBondContact O-N 3.32Å |
| 485 | F | 74.8 | Confident | 73.4 | Confident | 92 Ų | 92 | 77.6 Ų | 77.6 | 40% | 0.404 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 141.4 | 169.7 | 59.4 | -89.7 | 0 | 0 | 0 | 108.6 | P483 T497 L498 | P483-F485 PolarHBondContact O-N 2.93Å; F485-T497 HydrophobicContact CD2-CG2 4.41Å; F485-L498 CarbonylContact C-O 3.59Å; F485-L498 WeakPolarHBondContact CA-O 3.42Å; F485-L498 VanDerWaalsContact CB-O 3.28Å; F485-L498 WeakPolarHBondContact CB-O 3.09Å |
| 486 | V | 72.4 | Confident | 73.2 | Confident | 48 Ų | 48 | 73.5 Ų | 73.5 | 29% | 0.291 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 142.3 | -174.6 | 173.4 | 0 | 0 | 0 | 0 | 109.8 | P483 A488 T497 L498 Y500 | P483-V486 HydrophobicContact CG-CG2 4.37Å; V486-A488 PolarHBondContact O-N 2.89Å; V486-T497 WeakPolarHBondContact O-CA 3.44Å; V486-L498 PolarHBondContact N-O 2.99Å; V486-L498 PolarHBondContact O-N 3.18Å; V486-Y500 HydrophobicContact CG2-CD2 3.71Å; V486-Y500 HydrophobicContact CG2-CG 4.4Å |
| 487 | T | 73.9 | Confident | 73 | Confident | 94 Ų | 94 | 70.9 Ų | 70.9 | 58% | 0.577 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 107.3 | 165.4 | 46.3 | 0 | 0 | 0 | 0 | 109.3 | W335 F496 T497 | W335-T487 HydrophobicContact CH2-CG2 4.07Å; W335-T487 HydrophobicContact CZ3-CG2 4.29Å; T487-F496 CarbonylContact C-O 3.56Å; T487-F496 VanDerWaalsContact CA-O 3.3Å; T487-F496 WeakPolarHBondContact CA-O 3.08Å; T487-T497 HydrophobicContact CG2-CG2 3.88Å |
| 488 | A | 71.1 | Confident | 73.1 | Confident | 20 Ų | 20 | 70.4 Ų | 70.4 | 17% | 0.165 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 159.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | V486 G495 F496 L498 | V486-A488 PolarHBondContact O-N 2.89Å; A488-G495 WeakPolarHBondContact O-CA 3.32Å; A488-F496 HydrophobicContact CB-CD1 4.22Å; A488-F496 HydrophobicContact CB-CE1 3.71Å; A488-F496 HydrophobicContact CB-CE2 4.08Å; A488-F496 HydrophobicContact CB-CZ 3.64Å; A488-F496 PolarHBondContact N-O 2.95Å; A488-F496 VanDerWaalsContact O-CD1 3.3Å; A488-F496 WeakPolarHBondContact O-CD1 3.44Å; A488-F496 PolarHBondContact O-N 3.36Å; A488-L498 HydrophobicContact CB-CD2 3.72Å; A488-L498 HydrophobicContact CB-CG 4.46Å |
| 489 | T | 72.9 | Confident | 73.6 | Confident | 81 Ų | 81 | 65.8 Ų | 65.8 | 50% | 0.497 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 132 | 178.6 | 51.5 | 0 | 0 | 0 | 0 | 109.8 | W322 G493 Q494 | W322-T489 HydrophobicContact CH2-CG2 3.9Å; T489-G493 WeakPolarHBondContact CB-O 3.36Å; T489-G493 WeakPolarHBondContact CG2-O 3.48Å; T489-Q494 WeakPolarHBondContact CA-O 3.32Å |
| 490 | T | 72 | Confident | 74.1 | Confident | 20 Ų | 20 | 64.5 Ų | 64.5 | 12% | 0.123 | 35% | 0.353 | C | S | . | . | trans | -68.4 | 167.2 | 170.9 | -58.4 | 0 | 0 | 0 | 0 | 110.7 | D492 G493 Q494 | T490-D492 PolarHBondContact O-N 3.15Å; T490-D492 VanDerWaalsContact O-N 3.13Å; T490-G493 WeakPolarHBondContact O-CA 3.46Å; T490-G493 PolarHBondContact O-N 2.95Å; T490-Q494 PolarHBondContact N-O 2.77Å; T490-Q494 PolarHBondContact OG1-O 2.99Å | ||
| 491 | S | 68.4 | Low | 74.3 | Confident | 114 Ų | 114 | 58 Ų | 58 | 80% | 0.797 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.5 | -38.5 | 170.3 | 44.3 | 0 | 0 | 0 | 0 | 112.9 | G493 | S491-G493 PolarHBondContact O-N 3.32Š|
| 492 | D | 66.8 | Low | 74.9 | Confident | 101 Ų | 101 | 52.3 Ų | 52.3 | 54% | 0.54 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 7.7 | -175.6 | -48.5 | 0.9 | 0 | 0 | 0 | 111.2 | G324 T490 Q494 | G324-D492 WeakPolarHBondContact CA-O 3.1Å; G324-D492 PolarHBondContact N-O 3.05Å; T490-D492 PolarHBondContact O-N 3.15Å; T490-D492 VanDerWaalsContact O-N 3.13Å; D492-Q494 VanDerWaalsContact C-N 3.33Å; D492-Q494 PolarHBondContact O-N 3.02Å |
| 493 | G | 66.5 | Low | 75.7 | Confident | 13 Ų | 13 | 58.5 Ų | 58.5 | 13% | 0.134 | 32% | 0.318 | C | S | . | . | trans | 90.7 | -44.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | W322 T489 T490 S491 | W322-G493 VanDerWaalsContact CH2-O 3.28Å; W322-G493 WeakPolarHBondContact CH2-O 3.15Å; W322-G493 VanDerWaalsContact CZ3-C 3.5Å; W322-G493 WeakPolarHBondContact CZ3-O 3.41Å; T489-G493 WeakPolarHBondContact CB-O 3.36Å; T489-G493 WeakPolarHBondContact CG2-O 3.48Å; T490-G493 WeakPolarHBondContact O-CA 3.46Å; T490-G493 PolarHBondContact O-N 2.95Å; S491-G493 PolarHBondContact O-N 3.32Å | ||
| 494 | Q | 75.1 | Confident | 76.6 | Confident | 50 Ų | 50 | 59.1 Ų | 59.1 | 23% | 0.234 | 31% | 0.31 | C | S | . | . | trans | -43.9 | 136.4 | -163.4 | -62.1 | -175.9 | 4 | 0 | 0 | 115.5 | G324 V336 T489 T490 D492 | G324-Q494 PolarHBondContact O-NE2 2.8Å; V336-Q494 HydrophobicContact CG2-CB 3.61Å; T489-Q494 WeakPolarHBondContact CA-O 3.32Å; T490-Q494 PolarHBondContact N-O 2.77Å; T490-Q494 PolarHBondContact OG1-O 2.99Å; D492-Q494 VanDerWaalsContact C-N 3.33Å; D492-Q494 PolarHBondContact O-N 3.02Å | ||
| 495 | G | 76.4 | Confident | 77.5 | Confident | 8 Ų | 8 | 59.3 Ų | 59.3 | 8% | 0.082 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 137 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | C334 W335 V336 A488 | C334-G495 PolarHBondContact O-N 2.98Å; W335-G495 WeakPolarHBondContact CA-O 3.39Å; V336-G495 PolarHBondContact N-O 3.35Å; A488-G495 WeakPolarHBondContact O-CA 3.32Å |
| 496 | F | 80.1 | Confident | 78.2 | Confident | 12 Ų | 12 | 59.6 Ų | 59.6 | 5% | 0.053 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 155 | 172.1 | 67.1 | -77.7 | 0 | 0 | 0 | 111.8 | V336 T487 A488 L498 L563 P565 | V336-F496 HydrophobicContact CB-CB 4.22Å; V336-F496 HydrophobicContact CG2-CB 3.95Å; V336-F496 HydrophobicContact CG2-CD1 4.25Å; V336-F496 HydrophobicContact CG2-CG 4.49Å; T487-F496 CarbonylContact C-O 3.56Å; T487-F496 VanDerWaalsContact CA-O 3.3Å; T487-F496 WeakPolarHBondContact CA-O 3.08Å; A488-F496 HydrophobicContact CB-CD1 4.22Å; A488-F496 HydrophobicContact CB-CE1 3.71Å; A488-F496 HydrophobicContact CB-CE2 4.08Å; A488-F496 HydrophobicContact CB-CZ 3.64Å; A488-F496 PolarHBondContact N-O 2.95Å; A488-F496 VanDerWaalsContact O-CD1 3.3Å; A488-F496 WeakPolarHBondContact O-CD1 3.44Å; A488-F496 PolarHBondContact O-N 3.36Å; F496-L498 HydrophobicContact CD2-CD2 4.49Å; F496-L498 HydrophobicContact CE2-CD2 3.78Å; F496-L498 HydrophobicContact CZ-CD2 4.32Å; F496-L563 WeakPolarHBondContact CZ-O 3.48Å; F496-P565 HydrophobicContact CD2-CB 4.47Å; F496-P565 HydrophobicContact CD2-CG 4.32Å |
| 497 | T | 81.2 | Confident | 79.1 | Confident | 49 Ų | 49 | 62.3 Ų | 62.3 | 30% | 0.301 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 136.3 | 178.8 | 45.3 | 0 | 0 | 0 | 0 | 111.6 | W335 P402 F485 V486 T487 | W335-T497 HydrophobicContact CH2-CG2 4.36Å; W335-T497 HydrophobicContact CZ3-CG2 4.02Å; P402-T497 WeakPolarHBondContact CG-OG1 3.34Å; F485-T497 HydrophobicContact CD2-CG2 4.41Å; V486-T497 WeakPolarHBondContact O-CA 3.44Å; T487-T497 HydrophobicContact CG2-CG2 3.88Å |
| 498 | L | 83.5 | Confident | 79.9 | Confident | 36 Ų | 36 | 59 Ų | 59 | 19% | 0.188 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 152.2 | 176.8 | 61.5 | 82.6 | 0 | 0 | 0 | 111.7 | F485 V486 A488 F496 Y500 | F485-L498 CarbonylContact C-O 3.59Å; F485-L498 WeakPolarHBondContact CA-O 3.42Å; F485-L498 VanDerWaalsContact CB-O 3.28Å; F485-L498 WeakPolarHBondContact CB-O 3.09Å; V486-L498 PolarHBondContact N-O 2.99Å; V486-L498 PolarHBondContact O-N 3.18Å; A488-L498 HydrophobicContact CB-CD2 3.72Å; A488-L498 HydrophobicContact CB-CG 4.46Å; F496-L498 HydrophobicContact CD2-CD2 4.49Å; F496-L498 HydrophobicContact CE2-CD2 3.78Å; F496-L498 HydrophobicContact CZ-CD2 4.32Å; L498-Y500 PolarHBondContact O-N 3.46Å |
| 499 | C | 85.7 | Confident | 80.9 | Confident | 29 Ų | 29 | 58.3 Ų | 58.3 | 20% | 0.196 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 127.7 | 169.5 | -64.4 | 0 | 0 | 0 | 0 | 109.3 | C407 L501 | C407-C499 VanDerWaalsContact CA-SG 3.54Å; C407-C499 HydrophobicContact CB-CB 3.77Å; C407-C499 WeakPolarHBondContact CB-SG 3.4Å; C407-C499 WeakPolarHBondContact SG-CB 3.14Å; C407-C499 CovalentContact SG-SG 2.04Å; C407-C499 PolarHBondContact SG-SG 3.39Å; C499-L501 PolarHBondContact O-N 3.37Å |
| 500 | Y | 82.4 | Confident | 81.9 | Confident | 96 Ų | 96 | 58.3 Ų | 58.3 | 38% | 0.376 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 131 | -178.3 | -178.7 | -111.4 | 0 | 0 | 0 | 111.4 | R411 V484 V486 L498 D502 | R411-Y500 PolarHBondContact NH2-O 3.32Å; V484-Y500 WeakPolarHBondContact O-CB 3.5Å; V484-Y500 PolarHBondContact O-N 3.32Å; V486-Y500 HydrophobicContact CG2-CD2 3.71Å; V486-Y500 HydrophobicContact CG2-CG 4.4Å; L498-Y500 PolarHBondContact O-N 3.46Å; Y500-D502 HydrophobicContact CD1-CB 4.09Å; Y500-D502 HydrophobicContact CE1-CB 4.01Å |
| 501 | L | 79.8 | Confident | 82.9 | Confident | 26 Ų | 26 | 59.7 Ų | 59.7 | 14% | 0.136 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -84.5 | 123.2 | 170.7 | -66.3 | 175.5 | 0 | 0 | 0 | 108.6 | C499 D505 | C499-L501 PolarHBondContact O-N 3.37Å; L501-D505 WeakPolarHBondContact CA-OD2 3.35Å |
| 502 | D | 82 | Confident | 84.1 | Confident | 31 Ų | 31 | 54.4 Ų | 54.4 | 17% | 0.166 | 27% | 0.269 | C | S | . | . | trans | -118.1 | 163.8 | -175.4 | -164.3 | -7.3 | 0 | 0 | 0 | 110.2 | Y500 W504 D505 Y506 | Y500-D502 HydrophobicContact CD1-CB 4.09Å; Y500-D502 HydrophobicContact CE1-CB 4.01Å; D502-W504 PolarHBondContact O-N 3.2Å; D502-D505 PolarHBondContact N-OD2 2.85Å; D502-D505 WeakPolarHBondContact O-CB 3.44Å; D502-D505 PolarHBondContact O-N 3.03Å; D502-Y506 WeakPolarHBondContact O-CD2 3.47Å | ||
| 503 | R | 87.3 | Confident | 85.4 | Confident | 210 Ų | 210 | 51.5 Ų | 51.5 | 79% | 0.792 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -53.6 | -29.6 | 177 | -64.2 | 179.5 | -179.2 | 167.3 | 0.8 | 112.3 | D505 Y506 M507 | R503-D505 VanDerWaalsContact C-N 3.33Å; R503-D505 PolarHBondContact O-N 3.36Å; R503-Y506 WeakPolarHBondContact O-CB 3.31Å; R503-Y506 PolarHBondContact O-N 3.23Å; R503-M507 PolarHBondContact O-N 3.37Å; R503-M507 VanDerWaalsContact O-N 3.09Å |
| 504 | W | 86.6 | Confident | 86.8 | Confident | 93 Ų | 93 | 56.3 Ų | 56.3 | 35% | 0.352 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.5 | -32 | 173.2 | -63 | 101 | 0 | 0 | 0 | 114 | F466 W470 D502 M507 M508 | F466-W504 HydrophobicContact CE1-CE3 4.22Å; F466-W504 HydrophobicContact CE2-CE3 4.4Å; F466-W504 HydrophobicContact CE2-CZ3 4.08Å; F466-W504 AromaticContact CZ-CE3 3.67Å; F466-W504 HydrophobicContact CZ-CE3 3.67Å; F466-W504 AromaticContact CZ-CZ3 3.8Å; F466-W504 HydrophobicContact CZ-CZ3 3.8Å; W470-W504 VanDerWaalsContact CD1-CB 3.46Å; W470-W504 AromaticContact CD1-CD1 3.78Å; W470-W504 AromaticContact CD1-CD2 3.76Å; W470-W504 AromaticContact CD1-CG 3.37Å; W470-W504 AromaticContact NE1-CD1 3.99Å; W470-W504 AromaticContact NE1-CG 3.8Å; D502-W504 PolarHBondContact O-N 3.2Å; W504-M507 HydrophobicContact CE3-SD 4.12Å; W504-M507 HydrophobicContact CZ3-SD 4.4Å; W504-M507 PolarHBondContact O-N 2.85Å; W504-M508 WeakPolarHBondContact O-CB 3.49Å; W504-M508 VanDerWaalsContact O-CG 3.28Å; W504-M508 WeakPolarHBondContact O-CG 3.23Å; W504-M508 PolarHBondContact O-N 3.36Å |
| 505 | D | 87.9 | Confident | 87.8 | Confident | 22 Ų | 22 | 55.6 Ų | 55.6 | 12% | 0.118 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.8 | -38.1 | 175.5 | -63.1 | -60.5 | 0 | 0 | 0 | 111.4 | R411 L501 D502 R503 M508 A509 F558 | R411-D505 IonicContact CZ-OD1 3.59Å; R411-D505 IonicContact CZ-OD2 3.53Å; R411-D505 IonicContact NE-OD1 3.8Å; R411-D505 PolarHBondContact NE-OD1 3.49Å; R411-D505 IonicContact NE-OD2 3.97Å; R411-D505 VanDerWaalsContact NH2-CG 3.33Å; R411-D505 IonicContact NH2-OD1 2.83Å; R411-D505 PolarHBondContact NH2-OD1 3.04Å; R411-D505 IonicContact NH2-OD2 2.68Å; R411-D505 PolarHBondContact NH2-OD2 2.87Å; L501-D505 WeakPolarHBondContact CA-OD2 3.35Å; D502-D505 PolarHBondContact N-OD2 2.85Å; D502-D505 WeakPolarHBondContact O-CB 3.44Å; D502-D505 PolarHBondContact O-N 3.03Å; R503-D505 VanDerWaalsContact C-N 3.33Å; R503-D505 PolarHBondContact O-N 3.36Å; D505-M508 PolarHBondContact O-N 3.01Å; D505-A509 WeakPolarHBondContact O-CB 3.34Å; D505-A509 PolarHBondContact O-N 3.37Å; D505-F558 HydrophobicContact CB-CE1 4.49Å |
| 506 | Y | 89.3 | Confident | 88.7 | Confident | 99 Ų | 99 | 55.2 Ų | 55.2 | 39% | 0.388 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.9 | -43.9 | 173 | -64.6 | -96.4 | 0 | 0 | 0 | 111 | D502 R503 M508 A509 V510 F558 | D502-Y506 WeakPolarHBondContact O-CD2 3.47Å; R503-Y506 WeakPolarHBondContact O-CB 3.31Å; R503-Y506 PolarHBondContact O-N 3.23Å; Y506-M508 VanDerWaalsContact C-N 3.3Å; Y506-M508 PolarHBondContact O-N 3.44Å; Y506-A509 PolarHBondContact O-N 2.97Å; Y506-V510 WeakPolarHBondContact O-CB 3.43Å; Y506-V510 VanDerWaalsContact O-CG2 3.31Å; Y506-V510 WeakPolarHBondContact O-CG2 3.45Å; Y506-V510 PolarHBondContact O-N 2.9Å; Y506-F558 AromaticContact CD1-CD1 3.94Å; Y506-F558 HydrophobicContact CD1-CD1 3.94Å; Y506-F558 AromaticContact CD1-CD2 3.96Å; Y506-F558 HydrophobicContact CD1-CD2 3.96Å; Y506-F558 AromaticContact CD1-CE1 3.83Å; Y506-F558 HydrophobicContact CD1-CE1 3.83Å; Y506-F558 AromaticContact CD1-CE2 3.87Å; Y506-F558 HydrophobicContact CD1-CE2 3.87Å; Y506-F558 HydrophobicContact CD1-CG 4.02Å; Y506-F558 AromaticContact CD1-CZ 3.8Å; Y506-F558 HydrophobicContact CD1-CZ 3.8Å; Y506-F558 HydrophobicContact CD2-CE1 4.08Å; Y506-F558 HydrophobicContact CD2-CZ 4.46Å; Y506-F558 HydrophobicContact CE1-CB 3.94Å; Y506-F558 AromaticContact CE1-CD1 3.35Å; Y506-F558 HydrophobicContact CE1-CD1 3.35Å; Y506-F558 AromaticContact CE1-CD2 3.85Å; Y506-F558 HydrophobicContact CE1-CD2 3.85Å; Y506-F558 AromaticContact CE1-CE1 3.71Å; Y506-F558 HydrophobicContact CE1-CE1 3.71Å; Y506-F558 HydrophobicContact CE1-CE2 4.17Å; Y506-F558 AromaticContact CE1-CG 3.44Å; Y506-F558 HydrophobicContact CE1-CG 3.44Å; Y506-F558 VanDerWaalsContact CE1-CG 3.44Å; Y506-F558 HydrophobicContact CE1-CZ 4.11Å; Y506-F558 HydrophobicContact CE2-CD1 4.05Å; Y506-F558 AromaticContact CE2-CE1 3.95Å; Y506-F558 HydrophobicContact CE2-CE1 3.95Å; Y506-F558 HydrophobicContact CG-CE1 4.02Å; Y506-F558 HydrophobicContact CG-CE2 4.46Å; Y506-F558 HydrophobicContact CG-CZ 4Å; Y506-F558 AromaticContact CZ-CD1 3.42Å; Y506-F558 VanDerWaalsContact CZ-CD1 3.42Å; Y506-F558 AromaticContact CZ-CE1 3.77Å; Y506-F558 AromaticContact CZ-CG 3.96Å |
| 507 | M | 91.6 | Very high | 89.5 | Confident | 105 Ų | 105 | 57.7 Ų | 57.7 | 52% | 0.517 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60 | -40.1 | 174.7 | -68.5 | 179.3 | 69.1 | 0 | 0 | 112 | R503 W504 A511 | R503-M507 PolarHBondContact O-N 3.37Å; R503-M507 VanDerWaalsContact O-N 3.09Å; W504-M507 HydrophobicContact CE3-SD 4.12Å; W504-M507 HydrophobicContact CZ3-SD 4.4Å; W504-M507 PolarHBondContact O-N 2.85Å; M507-A511 WeakPolarHBondContact O-CB 3.49Å; M507-A511 PolarHBondContact O-N 3.34Å |
| 508 | M | 91.2 | Very high | 90.1 | Very high | 25 Ų | 25 | 61 Ų | 61 | 12% | 0.123 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.2 | -43.2 | 177.2 | -73.6 | -68 | -129.3 | 0 | 0 | 112.6 | M415 F466 L467 W504 D505 Y506 V510 A511 E512 | M415-M508 HydrophobicContact CB-CE 4.46Å; M415-M508 HydrophobicContact CE-CE 3.98Å; M415-M508 HydrophobicContact CE-SD 3.61Å; M415-M508 HydrophobicContact CG-CE 3.74Å; M415-M508 HydrophobicContact CG-SD 4.47Å; M415-M508 HydrophobicContact SD-CB 4.19Å; M415-M508 HydrophobicContact SD-CE 4.14Å; M415-M508 HydrophobicContact SD-CG 4.5Å; M415-M508 HydrophobicContact SD-SD 4.08Å; F466-M508 HydrophobicContact CD1-CE 3.45Å; F466-M508 VanDerWaalsContact CD1-CE 3.45Å; F466-M508 HydrophobicContact CD1-SD 3.77Å; F466-M508 HydrophobicContact CE1-CE 3.5Å; F466-M508 HydrophobicContact CE1-CG 3.95Å; F466-M508 HydrophobicContact CE1-SD 3.41Å; F466-M508 WeakPolarHBondContact CE1-SD 3.35Å; F466-M508 HydrophobicContact CZ-SD 4.19Å; L467-M508 HydrophobicContact CD2-CE 3.47Å; L467-M508 VanDerWaalsContact CD2-CE 3.47Å; L467-M508 HydrophobicContact CG-CE 4.02Å; W504-M508 WeakPolarHBondContact O-CB 3.49Å; W504-M508 VanDerWaalsContact O-CG 3.28Å; W504-M508 WeakPolarHBondContact O-CG 3.23Å; W504-M508 PolarHBondContact O-N 3.36Å; D505-M508 PolarHBondContact O-N 3.01Å; Y506-M508 VanDerWaalsContact C-N 3.3Å; Y506-M508 PolarHBondContact O-N 3.44Å; M508-V510 VanDerWaalsContact C-N 3.34Å; M508-V510 PolarHBondContact O-N 2.95Å; M508-A511 PolarHBondContact O-N 3.07Å; M508-E512 WeakPolarHBondContact O-CG 3.48Å; M508-E512 PolarHBondContact O-N 3.47Å |
| 509 | A | 92.4 | Very high | 90.6 | Very high | 4 Ų | 4 | 59.3 Ų | 59.3 | 3% | 0.033 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.6 | -43 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | D505 Y506 E512 L513 H554 F558 | D505-A509 WeakPolarHBondContact O-CB 3.34Å; D505-A509 PolarHBondContact O-N 3.37Å; Y506-A509 PolarHBondContact O-N 2.97Å; A509-E512 PolarHBondContact O-N 2.83Å; A509-L513 WeakPolarHBondContact O-CB 3.36Å; A509-L513 VanDerWaalsContact O-CG 3.28Å; A509-L513 WeakPolarHBondContact O-CG 3.36Å; A509-L513 PolarHBondContact O-N 2.96Å; A509-H554 HydrophobicContact CB-CB 4.34Å; A509-F558 HydrophobicContact CB-CE2 3.87Å; A509-F558 HydrophobicContact CB-CZ 4Å |
| 510 | V | 92.9 | Very high | 91 | Very high | 81 Ų | 81 | 59 Ų | 59 | 49% | 0.491 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.5 | -40 | 174.2 | 170.4 | 0 | 0 | 0 | 0 | 111.3 | Y506 M508 L513 L514 | Y506-V510 WeakPolarHBondContact O-CB 3.43Å; Y506-V510 VanDerWaalsContact O-CG2 3.31Å; Y506-V510 WeakPolarHBondContact O-CG2 3.45Å; Y506-V510 PolarHBondContact O-N 2.9Å; M508-V510 VanDerWaalsContact C-N 3.34Å; M508-V510 PolarHBondContact O-N 2.95Å; V510-L513 PolarHBondContact O-N 3.18Å; V510-L514 HydrophobicContact CG1-CD1 3.76Å; V510-L514 HydrophobicContact CG1-CG 4.22Å; V510-L514 WeakPolarHBondContact O-CB 3.32Å; V510-L514 VanDerWaalsContact O-CG 3.26Å; V510-L514 WeakPolarHBondContact O-CG 3.31Å; V510-L514 PolarHBondContact O-N 2.84Å |
| 511 | A | 92.9 | Very high | 91.5 | Very high | 49 Ų | 49 | 57.9 Ų | 57.9 | 41% | 0.405 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66.9 | -42.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | M507 M508 F515 | M507-A511 WeakPolarHBondContact O-CB 3.49Å; M507-A511 PolarHBondContact O-N 3.34Å; M508-A511 PolarHBondContact O-N 3.07Å; A511-F515 WeakPolarHBondContact O-CB 3.31Å; A511-F515 PolarHBondContact O-N 3.03Å; A511-F515 VanDerWaalsContact O-N 3.07Å |
| 512 | E | 94.1 | Very high | 92 | Very high | 4 Ų | 4 | 57.4 Ų | 57.4 | 2% | 0.019 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -55.8 | -51.1 | 171.8 | -74.9 | -173.6 | 169.7 | 0 | 0 | 110.4 | R414 M415 F418 M508 A509 F515 L516 H554 | R414-E512 IonicContact CZ-OE1 2.9Å; R414-E512 IonicContact CZ-OE2 2.65Å; R414-E512 IonicContact NE-OE1 3.7Å; R414-E512 PolarHBondContact NE-OE1 3.39Å; R414-E512 IonicContact NE-OE2 2.71Å; R414-E512 VanDerWaalsContact NH2-CD 3.28Å; R414-E512 IonicContact NH2-OE1 3.98Å; R414-E512 PolarHBondContact NH2-OE1 3.09Å; R414-E512 VanDerWaalsContact NH2-OE1 3.14Å; R414-E512 IonicContact NH2-OE2 3.39Å; R414-E512 PolarHBondContact NH2-OE2 3.24Å; M415-E512 HydrophobicContact CE-CG 4.05Å; M415-E512 HydrophobicContact SD-CG 4.05Å; M415-E512 VanDerWaalsContact SD-OE1 3.42Å; F418-E512 HydrophobicContact CD1-CG 4.11Å; F418-E512 HydrophobicContact CD2-CG 4.4Å; F418-E512 HydrophobicContact CE1-CB 4.05Å; F418-E512 HydrophobicContact CE1-CG 3.95Å; F418-E512 HydrophobicContact CE2-CB 4.2Å; F418-E512 HydrophobicContact CE2-CG 4.25Å; F418-E512 HydrophobicContact CG-CG 4.33Å; F418-E512 HydrophobicContact CZ-CB 3.77Å; F418-E512 HydrophobicContact CZ-CG 4.02Å; M508-E512 WeakPolarHBondContact O-CG 3.48Å; M508-E512 PolarHBondContact O-N 3.47Å; A509-E512 PolarHBondContact O-N 2.83Å; E512-F515 PolarHBondContact O-N 2.93Å; E512-L516 WeakPolarHBondContact O-CB 3.39Å; E512-L516 PolarHBondContact O-N 3.49Å; E512-L516 VanDerWaalsContact O-N 3.08Å; E512-H554 IonicContact OE2-CD2 2.83Å; E512-H554 IonicContact OE2-CE1 2.8Å; E512-H554 IonicContact OE2-NE2 2.74Å; E512-H554 PolarHBondContact OE2-NE2 2.95Å |
| 513 | L | 95 | Very high | 92.4 | Very high | 39 Ų | 39 | 58.5 Ų | 58.5 | 20% | 0.204 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.3 | -43.4 | -177.7 | -69 | 170.6 | 0 | 0 | 0 | 112.8 | A509 V510 F515 L516 C517 L547 | A509-L513 WeakPolarHBondContact O-CB 3.36Å; A509-L513 VanDerWaalsContact O-CG 3.28Å; A509-L513 WeakPolarHBondContact O-CG 3.36Å; A509-L513 PolarHBondContact O-N 2.96Å; V510-L513 PolarHBondContact O-N 3.18Å; L513-F515 VanDerWaalsContact C-N 3.34Å; L513-F515 PolarHBondContact O-N 2.62Å; L513-L516 WeakPolarHBondContact O-CB 3.34Å; L513-L516 PolarHBondContact O-N 3.45Å; L513-C517 PolarHBondContact O-N 2.73Å; L513-C517 PolarHBondContact O-SG 2.8Å; L513-C517 VanDerWaalsContact O-SG 3.35Å; L513-L547 HydrophobicContact CD2-CD1 3.98Å |
| 514 | L | 95.5 | Very high | 92.5 | Very high | 114 Ų | 114 | 52.1 Ų | 52.1 | 60% | 0.597 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -62.1 | -40.6 | 176.7 | -75.2 | 172.9 | 0 | 0 | 0 | 112 | V510 L516 C517 W518 | V510-L514 HydrophobicContact CG1-CD1 3.76Å; V510-L514 HydrophobicContact CG1-CG 4.22Å; V510-L514 WeakPolarHBondContact O-CB 3.32Å; V510-L514 VanDerWaalsContact O-CG 3.26Å; V510-L514 WeakPolarHBondContact O-CG 3.31Å; V510-L514 PolarHBondContact O-N 2.84Å; L514-L516 VanDerWaalsContact C-N 3.32Å; L514-L516 PolarHBondContact O-N 3.36Å; L514-C517 PolarHBondContact O-N 3.04Å; L514-W518 PolarHBondContact O-N 3.33Å |
| 515 | F | 95.3 | Very high | 92.5 | Very high | 36 Ų | 36 | 49.8 Ų | 49.8 | 16% | 0.158 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.2 | -39.4 | 175.1 | -177.9 | -102.2 | 0 | 0 | 0 | 112.1 | F418 T426 M459 A511 E512 L513 W518 G519 | F418-F515 AromaticContact CE1-CD1 3.89Å; F418-F515 HydrophobicContact CE1-CD1 3.89Å; F418-F515 HydrophobicContact CZ-CD1 4.34Å; T426-F515 HydrophobicContact CG2-CE1 4.28Å; T426-F515 HydrophobicContact CG2-CZ 4.25Å; T426-F515 WeakPolarHBondContact OG1-CZ 3.06Å; M459-F515 HydrophobicContact CE-CD2 4.33Å; M459-F515 HydrophobicContact CE-CE2 3.72Å; M459-F515 HydrophobicContact CE-CZ 4.46Å; A511-F515 WeakPolarHBondContact O-CB 3.31Å; A511-F515 PolarHBondContact O-N 3.03Å; A511-F515 VanDerWaalsContact O-N 3.07Å; E512-F515 PolarHBondContact O-N 2.93Å; L513-F515 VanDerWaalsContact C-N 3.34Å; L513-F515 PolarHBondContact O-N 2.62Å; F515-W518 HydrophobicContact CD2-CE3 4.12Å; F515-W518 HydrophobicContact CD2-CZ3 4.48Å; F515-W518 AromaticContact CE2-CE3 3.82Å; F515-W518 HydrophobicContact CE2-CE3 3.82Å; F515-W518 AromaticContact CE2-CZ3 3.76Å; F515-W518 HydrophobicContact CE2-CZ3 3.76Å; F515-W518 HydrophobicContact CZ-CE3 4.49Å; F515-W518 HydrophobicContact CZ-CZ3 4.32Å; F515-W518 PolarHBondContact O-N 3.35Å; F515-G519 PolarHBondContact O-N 2.9Å |
| 516 | L | 95.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.4 | -40.2 | 176.4 | -122.1 | 161 | 0 | 0 | 0 | 112.7 | F418 Y422 E512 L513 L514 W518 G519 S520 I543 E546 L547 | F418-L516 HydrophobicContact CE2-CD1 4.15Å; F418-L516 HydrophobicContact CE2-CD2 4.15Å; F418-L516 HydrophobicContact CZ-CD1 4.19Å; F418-L516 HydrophobicContact CZ-CD2 3.84Å; Y422-L516 HydrophobicContact CD1-CD2 4.23Å; Y422-L516 HydrophobicContact CG-CD2 4.07Å; E512-L516 WeakPolarHBondContact O-CB 3.39Å; E512-L516 PolarHBondContact O-N 3.49Å; E512-L516 VanDerWaalsContact O-N 3.08Å; L513-L516 WeakPolarHBondContact O-CB 3.34Å; L513-L516 PolarHBondContact O-N 3.45Å; L514-L516 VanDerWaalsContact C-N 3.32Å; L514-L516 PolarHBondContact O-N 3.36Å; L516-W518 VanDerWaalsContact C-N 3.34Å; L516-G519 CarbonylContact O-C 3.46Å; L516-G519 WeakPolarHBondContact O-CA 3.24Å; L516-G519 PolarHBondContact O-N 3.3Å; L516-G519 VanDerWaalsContact O-N 3.13Å; L516-S520 PolarHBondContact O-N 3.21Å; L516-I543 HydrophobicContact CD2-CG2 4.46Å; L516-I543 HydrophobicContact CG-CG2 4.45Å; L516-E546 HydrophobicContact CD1-CB 4.07Å; L516-E546 HydrophobicContact CD1-CG 3.6Å; L516-E546 HydrophobicContact CD2-CG 4.49Å; L516-L547 HydrophobicContact CB-CB 4.36Å; L516-L547 HydrophobicContact CB-CD1 4.19Å; L516-L547 HydrophobicContact CD1-CB 4.06Å; L516-L547 HydrophobicContact CG-CB 4.08Å |
| 517 | C | 96.3 | Very high | 92.1 | Very high | 63 Ų | 63 | 52.8 Ų | 52.8 | 43% | 0.426 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.1 | -39.9 | 172.2 | -72.6 | 0 | 0 | 0 | 0 | 111.8 | L513 L514 S520 S521 | L513-C517 PolarHBondContact O-N 2.73Å; L513-C517 PolarHBondContact O-SG 2.8Å; L513-C517 VanDerWaalsContact O-SG 3.35Å; L514-C517 PolarHBondContact O-N 3.04Å; C517-S520 PolarHBondContact O-N 3.1Å; C517-S521 PolarHBondContact O-N 2.85Å |
| 518 | W | 95.5 | Very high | 91.6 | Very high | 120 Ų | 120 | 52.9 Ų | 52.9 | 46% | 0.455 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.4 | -40.3 | 170.6 | 179.5 | 73.3 | 0 | 0 | 0 | 112 | L514 F515 L516 S520 S521 L522 | L514-W518 PolarHBondContact O-N 3.33Å; F515-W518 HydrophobicContact CD2-CE3 4.12Å; F515-W518 HydrophobicContact CD2-CZ3 4.48Å; F515-W518 AromaticContact CE2-CE3 3.82Å; F515-W518 HydrophobicContact CE2-CE3 3.82Å; F515-W518 AromaticContact CE2-CZ3 3.76Å; F515-W518 HydrophobicContact CE2-CZ3 3.76Å; F515-W518 HydrophobicContact CZ-CE3 4.49Å; F515-W518 HydrophobicContact CZ-CZ3 4.32Å; F515-W518 PolarHBondContact O-N 3.35Å; L516-W518 VanDerWaalsContact C-N 3.34Å; W518-S520 PolarHBondContact O-N 2.74Å; W518-S521 WeakPolarHBondContact O-CB 3.43Å; W518-S521 PolarHBondContact O-N 3.18Å; W518-L522 HydrophobicContact CD2-CD1 4.08Å; W518-L522 HydrophobicContact CE3-CD1 3.99Å; W518-L522 HydrophobicContact CH2-CD1 3.75Å; W518-L522 HydrophobicContact CZ2-CD1 3.81Å; W518-L522 HydrophobicContact CZ2-CG 4.46Å; W518-L522 HydrophobicContact CZ3-CD1 3.83Å; W518-L522 PolarHBondContact O-N 2.91Å |
| 519 | G | 93.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61 | -38.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114 | F515 L516 L522 W523 | F515-G519 PolarHBondContact O-N 2.9Å; L516-G519 CarbonylContact O-C 3.46Å; L516-G519 WeakPolarHBondContact O-CA 3.24Å; L516-G519 PolarHBondContact O-N 3.3Å; L516-G519 VanDerWaalsContact O-N 3.13Å; G519-L522 PolarHBondContact O-N 2.83Å; G519-W523 PolarHBondContact O-N 3.14Å |
| 520 | S | 93.9 | Very high | 89.4 | Confident | 23 Ų | 23 | 58.1 Ų | 58.1 | 16% | 0.161 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66 | -41.9 | 172.9 | 177.2 | 0 | 0 | 0 | 0 | 111.6 | L516 C517 W518 L522 W523 T524 H544 | L516-S520 PolarHBondContact O-N 3.21Å; C517-S520 PolarHBondContact O-N 3.1Å; W518-S520 PolarHBondContact O-N 2.74Å; S520-L522 PolarHBondContact O-N 2.74Å; S520-W523 CarbonylContact O-C 3.55Å; S520-W523 WeakPolarHBondContact O-CA 3.33Å; S520-W523 WeakPolarHBondContact O-CB 3.49Å; S520-W523 PolarHBondContact O-N 2.92Å; S520-T524 PolarHBondContact O-N 3.12Å; S520-H544 PolarHBondContact OG-CE1 3.42Å; S520-H544 PolarHBondContact OG-NE2 2.95Å |
| 521 | S | 92.3 | Very high | 87.7 | Confident | 72 Ų | 72 | 55.7 Ų | 55.7 | 50% | 0.503 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.2 | -39.4 | 174 | -172.4 | 0 | 0 | 0 | 0 | 112.8 | C517 W518 W523 T524 A525 | C517-S521 PolarHBondContact O-N 2.85Å; W518-S521 WeakPolarHBondContact O-CB 3.43Å; W518-S521 PolarHBondContact O-N 3.18Å; S521-W523 VanDerWaalsContact C-N 3.3Å; S521-W523 PolarHBondContact O-N 2.85Å; S521-T524 PolarHBondContact O-N 3.07Å; S521-T524 PolarHBondContact O-OG1 3.33Å; S521-A525 PolarHBondContact O-N 3.42Å |
| 522 | L | 91 | Very high | 85.6 | Confident | 16 Ų | 16 | 58.3 Ų | 58.3 | 8% | 0.084 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.1 | -35.9 | 169.8 | -72 | 174.8 | 0 | 0 | 0 | 112.2 | Y430 L433 W518 G519 S520 V526 | Y430-L522 HydrophobicContact CD2-CD2 4.24Å; L433-L522 HydrophobicContact CD2-CD2 4Å; W518-L522 HydrophobicContact CD2-CD1 4.08Å; W518-L522 HydrophobicContact CE3-CD1 3.99Å; W518-L522 HydrophobicContact CH2-CD1 3.75Å; W518-L522 HydrophobicContact CZ2-CD1 3.81Å; W518-L522 HydrophobicContact CZ2-CG 4.46Å; W518-L522 HydrophobicContact CZ3-CD1 3.83Å; W518-L522 PolarHBondContact O-N 2.91Å; G519-L522 PolarHBondContact O-N 2.83Å; S520-L522 PolarHBondContact O-N 2.74Å; L522-V526 VanDerWaalsContact O-CG2 3.31Å; L522-V526 WeakPolarHBondContact O-CG2 3.31Å; L522-V526 PolarHBondContact O-N 3.45Å; L522-V526 VanDerWaalsContact O-N 3.16Å |
| 523 | W | 89.6 | Confident | 83.8 | Confident | 54 Ų | 54 | 65.1 Ų | 65.1 | 21% | 0.205 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -69.7 | -41 | 175.2 | 170.9 | 80.2 | 0 | 0 | 0 | 112.9 | M429 G519 S520 S521 A525 V526 R527 H544 | M429-W523 HydrophobicContact CE-CB 4.09Å; M429-W523 HydrophobicContact CE-CG 4.36Å; G519-W523 PolarHBondContact O-N 3.14Å; S520-W523 CarbonylContact O-C 3.55Å; S520-W523 WeakPolarHBondContact O-CA 3.33Å; S520-W523 WeakPolarHBondContact O-CB 3.49Å; S520-W523 PolarHBondContact O-N 2.92Å; S521-W523 VanDerWaalsContact C-N 3.3Å; S521-W523 PolarHBondContact O-N 2.85Å; W523-A525 VanDerWaalsContact C-N 3.28Å; W523-A525 PolarHBondContact O-N 3.33Å; W523-V526 CarbonylContact O-C 3.59Å; W523-V526 PolarHBondContact O-N 2.92Å; W523-R527 HydrophobicContact CZ2-CG 4.39Å; W523-R527 PolarHBondContact O-N 3.05Å; W523-H544 AromaticContact CD2-CE1 3.7Å; W523-H544 AromaticContact CE3-CE1 3.31Å; W523-H544 AromaticContact CE3-NE2 3.8Å; W523-H544 AromaticContact CZ3-CE1 3.77Å; W523-H544 AromaticContact CZ3-NE2 3.96Å |
| 524 | T | 89 | Confident | 82.5 | Confident | 75 Ų | 75 | 67.9 Ų | 67.9 | 46% | 0.46 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.2 | -36.9 | 177.4 | 58.3 | 0 | 0 | 0 | 0 | 111.4 | S520 S521 V526 R527 P528 | S520-T524 PolarHBondContact O-N 3.12Å; S521-T524 PolarHBondContact O-N 3.07Å; S521-T524 PolarHBondContact O-OG1 3.33Å; T524-V526 VanDerWaalsContact C-N 3.34Å; T524-V526 PolarHBondContact O-N 3.3Å; T524-R527 WeakPolarHBondContact O-CB 3.36Å; T524-R527 PolarHBondContact O-N 3.21Å; T524-P528 WeakPolarHBondContact O-CD 3.38Å |
| 525 | A | 88.3 | Confident | 81.7 | Confident | 45 Ų | 45 | 65.9 Ų | 65.9 | 37% | 0.372 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.5 | -29.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114 | L433 S521 W523 | L433-A525 HydrophobicContact CD1-CB 3.94Å; L433-A525 HydrophobicContact CD2-CB 3.94Å; S521-A525 PolarHBondContact O-N 3.42Å; W523-A525 VanDerWaalsContact C-N 3.28Å; W523-A525 PolarHBondContact O-N 3.33Å |
| 526 | V | 84.8 | Confident | 81.1 | Confident | 4 Ų | 4 | 64.8 Ų | 64.8 | 2% | 0.024 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -87.3 | -22.8 | 175.8 | 173.2 | 0 | 0 | 0 | 0 | 112.6 | M429 V432 L433 L522 W523 T524 V529 P536 | M429-V526 HydrophobicContact CE-CB 3.78Å; M429-V526 HydrophobicContact CE-CG1 3.72Å; M429-V526 HydrophobicContact CE-CG2 4.16Å; V432-V526 HydrophobicContact CG1-CG1 3.96Å; L433-V526 HydrophobicContact CB-CG2 3.65Å; L433-V526 HydrophobicContact CD1-CG2 4.02Å; L433-V526 HydrophobicContact CG-CG2 4.28Å; L522-V526 VanDerWaalsContact O-CG2 3.31Å; L522-V526 WeakPolarHBondContact O-CG2 3.31Å; L522-V526 PolarHBondContact O-N 3.45Å; L522-V526 VanDerWaalsContact O-N 3.16Å; W523-V526 CarbonylContact O-C 3.59Å; W523-V526 PolarHBondContact O-N 2.92Å; T524-V526 VanDerWaalsContact C-N 3.34Å; T524-V526 PolarHBondContact O-N 3.3Å; V526-V529 WeakPolarHBondContact O-CB 3.2Å; V526-V529 WeakPolarHBondContact O-CG2 3.1Å; V526-V529 PolarHBondContact O-N 3.49Å; V526-P536 HydrophobicContact CG1-CB 3.82Å; V526-P536 HydrophobicContact CG1-CG 4.4Å |
| 527 | R | 83.4 | Confident | 80.7 | Confident | 180 Ų | 180 | 71.9 Ų | 71.9 | 68% | 0.679 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.5 | -40.3 | -178.6 | -172.9 | 179.1 | 176.5 | -167.9 | -0.6 | 115.8 | W523 T524 V529 | W523-R527 HydrophobicContact CZ2-CG 4.39Å; W523-R527 PolarHBondContact O-N 3.05Å; T524-R527 WeakPolarHBondContact O-CB 3.36Å; T524-R527 PolarHBondContact O-N 3.21Å; R527-V529 PolarHBondContact O-N 3.01Å |
| 528 | P | 80.1 | Confident | 80.3 | Confident | 107 Ų | 107 | 72.4 Ų | 72.4 | 70% | 0.695 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -5.7 | 178.8 | 29.9 | -36.4 | 0 | 0 | 0 | 114.2 | T524 P530 | T524-P528 WeakPolarHBondContact O-CD 3.38Å; P528-P530 VanDerWaalsContact O-CD 3.3Å; P528-P530 WeakPolarHBondContact O-CD 3.29Å |
| 529 | V | 72.3 | Confident | 80.1 | Confident | 24 Ų | 24 | 66.8 Ų | 66.8 | 15% | 0.145 | 36% | 0.358 | C | S | . | . | trans | -78.8 | 118.9 | -177 | 176.2 | 0 | 0 | 0 | 0 | 111.4 | F436 V526 R527 S531 | F436-V529 HydrophobicContact CB-CG1 4.47Å; F436-V529 HydrophobicContact CB-CG2 4.15Å; F436-V529 HydrophobicContact CD1-CG1 3.59Å; F436-V529 HydrophobicContact CD2-CG1 3.46Å; F436-V529 VanDerWaalsContact CD2-CG1 3.46Å; F436-V529 HydrophobicContact CD2-CG2 4.42Å; F436-V529 HydrophobicContact CE1-CG1 3.53Å; F436-V529 HydrophobicContact CE2-CG1 3.41Å; F436-V529 VanDerWaalsContact CE2-CG1 3.41Å; F436-V529 HydrophobicContact CG-CG1 3.55Å; F436-V529 HydrophobicContact CG-CG2 4.1Å; F436-V529 HydrophobicContact CZ-CG1 3.44Å; F436-V529 VanDerWaalsContact CZ-CG1 3.44Å; V526-V529 WeakPolarHBondContact O-CB 3.2Å; V526-V529 WeakPolarHBondContact O-CG2 3.1Å; V526-V529 PolarHBondContact O-N 3.49Å; R527-V529 PolarHBondContact O-N 3.01Å; V529-S531 VanDerWaalsContact C-N 3.33Å; V529-S531 PolarHBondContact O-N 3.03Å | ||
| 530 | P | 65.1 | Low | 79.9 | Confident | 115 Ų | 115 | 66.8 Ų | 66.8 | 75% | 0.747 | 36% | 0.358 | S | S | * | . | trans | -79.7 | 81.5 | 168.9 | 33.5 | -33.2 | 0 | 0 | 0 | 109.9 | P528 | P528-P530 VanDerWaalsContact O-CD 3.3Å; P528-P530 WeakPolarHBondContact O-CD 3.29Å | ||
| 531 | S | 56.9 | Low | 79.9 | Confident | 29 Ų | 29 | 69.9 Ų | 69.9 | 20% | 0.203 | 37% | 0.372 | C | S | . | . | trans | -71.7 | 136.4 | 168.7 | 55.2 | 0 | 0 | 0 | 0 | 110.3 | V529 F533 P536 | V529-S531 VanDerWaalsContact C-N 3.33Å; V529-S531 PolarHBondContact O-N 3.03Å; S531-F533 WeakPolarHBondContact CB-O 3.41Å; S531-F533 CarbonylContact O-C 3.58Å; S531-F533 PolarHBondContact O-N 3.48Å; S531-F533 PolarHBondContact OG-O 2.91Å; S531-P536 VanDerWaalsContact OG-CD 3.28Å; S531-P536 WeakPolarHBondContact OG-CD 3.18Å; S531-P536 WeakPolarHBondContact OG-CG 3.26Å | ||
| 532 | A | 50.3 | Low | 79.9 | Confident | 104 Ų | 104 | 66.4 Ų | 66.4 | 86% | 0.86 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -58.8 | -15.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 533 | F | 55.3 | Low | 80.1 | Confident | 147 Ų | 147 | 65.7 Ų | 65.7 | 65% | 0.645 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -123.2 | 147 | 167.2 | -64.3 | -92.1 | 0 | 0 | 0 | 109.1 | S531 E535 | S531-F533 WeakPolarHBondContact CB-O 3.41Å; S531-F533 CarbonylContact O-C 3.58Å; S531-F533 PolarHBondContact O-N 3.48Å; S531-F533 PolarHBondContact OG-O 2.91Å; F533-E535 PolarHBondContact O-N 3.35Å |
| 534 | H | 68.6 | Low | 80.3 | Confident | 98 Ų | 98 | 66 Ų | 66 | 45% | 0.454 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -71.7 | 9.8 | 179.4 | -64.5 | -25.8 | 0 | 0 | 0 | 114.8 | R537 Y538 | H534-R537 VanDerWaalsContact O-CB 3.31Å; H534-R537 WeakPolarHBondContact O-CB 3.42Å; H534-R537 PolarHBondContact O-N 2.86Å; H534-Y538 HydrophobicContact CB-CD2 4.46Å; H534-Y538 HydrophobicContact CB-CE2 3.85Å; H534-Y538 WeakPolarHBondContact O-CD2 3.45Å |
| 535 | E | 77.3 | Confident | 80.6 | Confident | 72 Ų | 72 | 64.1 Ų | 64.1 | 34% | 0.336 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -46 | -48.6 | -176.6 | -161.9 | -179.8 | -153.2 | 0 | 0 | 115.5 | K428 F533 R537 Y538 M539 | K428-E535 WeakPolarHBondContact CE-OE1 3.26Å; K428-E535 IonicContact NZ-OE1 2.92Å; K428-E535 PolarHBondContact NZ-OE1 3.46Å; K428-E535 IonicContact NZ-OE2 3.14Å; F533-E535 PolarHBondContact O-N 3.35Å; E535-R537 PolarHBondContact O-N 3.02Å; E535-Y538 PolarHBondContact O-N 2.88Å; E535-M539 HydrophobicContact CG-SD 4.34Å; E535-M539 WeakPolarHBondContact O-CG 3.06Å; E535-M539 PolarHBondContact O-N 2.84Å; E535-M539 VanDerWaalsContact O-N 3.13Å |
| 536 | P | 84.4 | Confident | 80.9 | Confident | 12 Ų | 12 | 62 Ų | 62 | 8% | 0.078 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -70.1 | -16.6 | 179.9 | 28.2 | -35.2 | 0 | 0 | 0 | 114 | M429 V526 S531 G540 | M429-P536 HydrophobicContact CE-CB 3.97Å; M429-P536 HydrophobicContact SD-CB 3.72Å; V526-P536 HydrophobicContact CG1-CB 3.82Å; V526-P536 HydrophobicContact CG1-CG 4.4Å; S531-P536 VanDerWaalsContact OG-CD 3.28Å; S531-P536 WeakPolarHBondContact OG-CD 3.18Å; S531-P536 WeakPolarHBondContact OG-CG 3.26Å; P536-G540 PolarHBondContact O-N 2.92Å |
| 537 | R | 86.4 | Confident | 81.4 | Confident | 150 Ų | 150 | 63.5 Ų | 63.5 | 57% | 0.566 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -71.3 | -47.8 | 172.8 | -61.2 | -178.8 | 175.5 | 175.9 | -3.2 | 110.3 | H534 E535 M539 G540 I541 | H534-R537 VanDerWaalsContact O-CB 3.31Å; H534-R537 WeakPolarHBondContact O-CB 3.42Å; H534-R537 PolarHBondContact O-N 2.86Å; E535-R537 PolarHBondContact O-N 3.02Å; R537-M539 VanDerWaalsContact C-N 3.34Å; R537-M539 PolarHBondContact O-N 2.9Å; R537-G540 WeakPolarHBondContact O-CA 3.48Å; R537-G540 PolarHBondContact O-N 2.95Å; R537-G540 VanDerWaalsContact O-N 3.13Å; R537-I541 WeakPolarHBondContact O-CG1 3.35Å; R537-I541 PolarHBondContact O-N 3.43Å |
| 538 | Y | 88.9 | Confident | 82 | Confident | 73 Ų | 73 | 60 Ų | 60 | 29% | 0.286 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.3 | -39.7 | 176.9 | -59.6 | -59.4 | 0 | 0 | 0 | 112.2 | H534 E535 G540 I541 A542 L586 P590 | H534-Y538 HydrophobicContact CB-CD2 4.46Å; H534-Y538 HydrophobicContact CB-CE2 3.85Å; H534-Y538 WeakPolarHBondContact O-CD2 3.45Å; E535-Y538 PolarHBondContact O-N 2.88Å; Y538-G540 VanDerWaalsContact C-N 3.33Å; Y538-G540 PolarHBondContact O-N 2.84Å; Y538-I541 PolarHBondContact O-N 2.89Å; Y538-A542 WeakPolarHBondContact O-CB 3.26Å; Y538-A542 PolarHBondContact O-N 2.91Å; Y538-L586 HydrophobicContact CD1-CD2 4.02Å; Y538-P590 HydrophobicContact CD2-CB 4.39Å; Y538-P590 HydrophobicContact CD2-CG 3.87Å; Y538-P590 HydrophobicContact CE2-CB 4.25Å; Y538-P590 HydrophobicContact CE2-CG 3.92Å; Y538-P590 HydrophobicContact CG-CG 4.36Å |
| 539 | M | 90 | Very high | 82.7 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.8 | -37.1 | 172.2 | -68.5 | 177.8 | 70.7 | 0 | 0 | 112.9 | I425 K428 M429 E535 R537 I543 L587 | I425-M539 HydrophobicContact CB-CE 4.31Å; I425-M539 HydrophobicContact CG2-CB 4.2Å; I425-M539 HydrophobicContact CG2-CE 3.76Å; I425-M539 WeakPolarHBondContact O-CE 3.34Å; K428-M539 HydrophobicContact CB-CE 3.73Å; K428-M539 HydrophobicContact CD-CE 3.58Å; K428-M539 HydrophobicContact CD-SD 3.86Å; K428-M539 HydrophobicContact CG-CE 3.68Å; K428-M539 HydrophobicContact CG-SD 4.2Å; K428-M539 PolarHBondContact NZ-SD 2.84Å; M429-M539 HydrophobicContact CG-CB 4.29Å; M429-M539 HydrophobicContact CG-CE 3.74Å; M429-M539 HydrophobicContact SD-CB 3.74Å; M429-M539 HydrophobicContact SD-CE 4.02Å; M429-M539 HydrophobicContact SD-SD 4.03Å; E535-M539 HydrophobicContact CG-SD 4.34Å; E535-M539 WeakPolarHBondContact O-CG 3.06Å; E535-M539 PolarHBondContact O-N 2.84Å; E535-M539 VanDerWaalsContact O-N 3.13Å; R537-M539 VanDerWaalsContact C-N 3.34Å; R537-M539 PolarHBondContact O-N 2.9Å; M539-I543 WeakPolarHBondContact O-CG1 3.49Å; M539-I543 PolarHBondContact O-N 3.15Å; M539-L587 HydrophobicContact CG-CD2 3.68Å |
| 540 | G | 91 | Very high | 83.7 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.3 | -50.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | P536 R537 Y538 A542 I543 H544 | P536-G540 PolarHBondContact O-N 2.92Å; R537-G540 WeakPolarHBondContact O-CA 3.48Å; R537-G540 PolarHBondContact O-N 2.95Å; R537-G540 VanDerWaalsContact O-N 3.13Å; Y538-G540 VanDerWaalsContact C-N 3.33Å; Y538-G540 PolarHBondContact O-N 2.84Å; G540-A542 VanDerWaalsContact C-N 3.27Å; G540-A542 PolarHBondContact O-N 2.96Å; G540-I543 PolarHBondContact O-N 3.5Å; G540-I543 VanDerWaalsContact O-N 3.14Å; G540-H544 PolarHBondContact O-N 2.74Å; G540-H544 VanDerWaalsContact O-N 3.1Å; G540-H544 PolarHBondContact O-ND1 2.83Å |
| 541 | I | 91.9 | Very high | 85.1 | Confident | 88 Ų | 88 | 53 Ų | 53 | 45% | 0.451 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -57.9 | -42.1 | 178.6 | -64.6 | 162.3 | 0 | 0 | 0 | 110.5 | R537 Y538 I543 H544 N545 L586 | R537-I541 WeakPolarHBondContact O-CG1 3.35Å; R537-I541 PolarHBondContact O-N 3.43Å; Y538-I541 PolarHBondContact O-N 2.89Å; I541-I543 PolarHBondContact O-N 3.3Å; I541-H544 PolarHBondContact O-N 3.22Å; I541-N545 WeakPolarHBondContact O-CB 3.25Å; I541-N545 PolarHBondContact O-N 2.84Å; I541-L586 HydrophobicContact CB-CD1 4.13Å; I541-L586 HydrophobicContact CG2-CD1 3.68Å |
| 542 | A | 93.5 | Very high | 86.8 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57 | -43.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y538 G540 E546 T583 L586 | Y538-A542 WeakPolarHBondContact O-CB 3.26Å; Y538-A542 PolarHBondContact O-N 2.91Å; G540-A542 VanDerWaalsContact C-N 3.27Å; G540-A542 PolarHBondContact O-N 2.96Å; A542-E546 PolarHBondContact O-N 2.82Å; A542-T583 HydrophobicContact CB-CG2 3.67Å; A542-L586 HydrophobicContact CB-CD1 4.43Å |
| 543 | I | 95 | Very high | 88.9 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.1 | -42.9 | 177.2 | -67.2 | 167.9 | 0 | 0 | 0 | 111.3 | I425 T426 L516 M539 G540 I541 N545 L547 | I425-I543 HydrophobicContact CG2-CD1 3.98Å; I425-I543 HydrophobicContact CG2-CG1 4.01Å; T426-I543 HydrophobicContact CG2-CD1 4.13Å; L516-I543 HydrophobicContact CD2-CG2 4.46Å; L516-I543 HydrophobicContact CG-CG2 4.45Å; M539-I543 WeakPolarHBondContact O-CG1 3.49Å; M539-I543 PolarHBondContact O-N 3.15Å; G540-I543 PolarHBondContact O-N 3.5Å; G540-I543 VanDerWaalsContact O-N 3.14Å; I541-I543 PolarHBondContact O-N 3.3Å; I543-N545 VanDerWaalsContact C-N 3.32Å; I543-N545 PolarHBondContact O-N 2.03Å; I543-L547 WeakPolarHBondContact O-CB 3.5Å; I543-L547 PolarHBondContact O-N 3.45Å |
| 544 | H | 93.9 | Very high | 90.6 | Very high | 62 Ų | 62 | 47.1 Ų | 47.1 | 29% | 0.287 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -69.8 | -30.6 | -179.3 | -67.6 | 80.6 | 0 | 0 | 0 | 112.3 | S520 W523 G540 I541 L547 L548 | S520-H544 PolarHBondContact OG-CE1 3.42Å; S520-H544 PolarHBondContact OG-NE2 2.95Å; W523-H544 AromaticContact CD2-CE1 3.7Å; W523-H544 AromaticContact CE3-CE1 3.31Å; W523-H544 AromaticContact CE3-NE2 3.8Å; W523-H544 AromaticContact CZ3-CE1 3.77Å; W523-H544 AromaticContact CZ3-NE2 3.96Å; G540-H544 PolarHBondContact O-N 2.74Å; G540-H544 VanDerWaalsContact O-N 3.1Å; G540-H544 PolarHBondContact O-ND1 2.83Å; I541-H544 PolarHBondContact O-N 3.22Å; H544-L547 PolarHBondContact O-N 2.9Å; H544-L548 WeakPolarHBondContact O-CB 3.41Å; H544-L548 PolarHBondContact O-N 2.91Å |
| 545 | N | 94.5 | Very high | 91.7 | Very high | 34 Ų | 34 | 47.5 Ų | 47.5 | 18% | 0.182 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.6 | -50 | 174.8 | -171.6 | 68.4 | 0 | 0 | 0 | 112 | I541 I543 L549 V578 | I541-N545 WeakPolarHBondContact O-CB 3.25Å; I541-N545 PolarHBondContact O-N 2.84Å; I543-N545 VanDerWaalsContact C-N 3.32Å; I543-N545 PolarHBondContact O-N 2.03Å; N545-L549 WeakPolarHBondContact O-CB 3.39Å; N545-L549 WeakPolarHBondContact O-CD1 3.42Å; N545-L549 VanDerWaalsContact O-CG 3.31Å; N545-L549 WeakPolarHBondContact O-CG 3.49Å; N545-L549 PolarHBondContact O-N 2.88Å; N545-V578 PolarHBondContact ND2-O 3.02Å |
| 546 | E | 95.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.1 | -40 | 173.5 | -178.6 | 89.3 | -162.1 | 0 | 0 | 111.3 | R414 F418 Y422 L516 A542 L548 L549 S550 T579 | R414-E546 IonicContact NH2-OE1 3.24Å; R414-E546 PolarHBondContact NH2-OE1 2.89Å; F418-E546 HydrophobicContact CE2-CG 4.11Å; Y422-E546 HydrophobicContact CD2-CG 4.33Å; Y422-E546 HydrophobicContact CE1-CB 3.91Å; Y422-E546 HydrophobicContact CE1-CG 4.26Å; Y422-E546 HydrophobicContact CE2-CB 4.16Å; Y422-E546 VanDerWaalsContact CE2-CD 3.45Å; Y422-E546 HydrophobicContact CE2-CG 3.61Å; Y422-E546 VanDerWaalsContact CE2-OE2 3.32Å; Y422-E546 WeakPolarHBondContact CE2-OE2 3.1Å; Y422-E546 VanDerWaalsContact CZ-OE2 3.26Å; Y422-E546 WeakPolarHBondContact OH-CB 3.43Å; Y422-E546 PolarHBondContact OH-OE2 2.71Å; L516-E546 HydrophobicContact CD1-CB 4.07Å; L516-E546 HydrophobicContact CD1-CG 3.6Å; L516-E546 HydrophobicContact CD2-CG 4.49Å; A542-E546 PolarHBondContact O-N 2.82Å; E546-L548 PolarHBondContact O-N 2.83Å; E546-L549 PolarHBondContact O-N 3Å; E546-S550 WeakPolarHBondContact O-CA 3.31Å; E546-S550 WeakPolarHBondContact O-CB 3.48Å; E546-S550 PolarHBondContact O-N 3.35Å; E546-T579 HydrophobicContact CB-CG2 4.38Å; E546-T579 WeakPolarHBondContact OE2-CB 3.35Å; E546-T579 WeakPolarHBondContact OE2-CG2 3.3Å; E546-T579 PolarHBondContact OE2-OG1 2.79Å |
| 547 | L | 95.8 | Very high | 92.5 | Very high | 37 Ų | 37 | 49.2 Ų | 49.2 | 19% | 0.194 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.7 | -44.7 | 178.1 | 174.9 | 57.9 | 0 | 0 | 0 | 112.4 | L513 L516 I543 H544 S551 | L513-L547 HydrophobicContact CD2-CD1 3.98Å; L516-L547 HydrophobicContact CB-CB 4.36Å; L516-L547 HydrophobicContact CB-CD1 4.19Å; L516-L547 HydrophobicContact CD1-CB 4.06Å; L516-L547 HydrophobicContact CG-CB 4.08Å; I543-L547 WeakPolarHBondContact O-CB 3.5Å; I543-L547 PolarHBondContact O-N 3.45Å; H544-L547 PolarHBondContact O-N 2.9Å; L547-S551 WeakPolarHBondContact O-CB 3.37Å; L547-S551 PolarHBondContact O-N 2.88Å |
| 548 | L | 95.3 | Very high | 92.5 | Very high | 105 Ų | 105 | 44.3 Ų | 44.3 | 55% | 0.55 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -66.1 | -49.9 | 176.9 | 179.4 | 61.6 | 0 | 0 | 0 | 111.8 | H544 E546 M552 | H544-L548 WeakPolarHBondContact O-CB 3.41Å; H544-L548 PolarHBondContact O-N 2.91Å; E546-L548 PolarHBondContact O-N 2.83Å; L548-M552 HydrophobicContact CD1-CE 4.45Å; L548-M552 WeakPolarHBondContact O-CG 3.44Å; L548-M552 PolarHBondContact O-N 3.24Å; L548-M552 VanDerWaalsContact O-N 3.13Å |
| 549 | L | 94.8 | Very high | 92.4 | Very high | 44 Ų | 44 | 44.8 Ų | 44.8 | 23% | 0.23 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -75.2 | -37.8 | -172 | -67.8 | 166.7 | 0 | 0 | 0 | 112.9 | N545 E546 M552 F553 V578 T579 | N545-L549 WeakPolarHBondContact O-CB 3.39Å; N545-L549 WeakPolarHBondContact O-CD1 3.42Å; N545-L549 VanDerWaalsContact O-CG 3.31Å; N545-L549 WeakPolarHBondContact O-CG 3.49Å; N545-L549 PolarHBondContact O-N 2.88Å; E546-L549 PolarHBondContact O-N 3Å; L549-M552 PolarHBondContact O-N 3.26Å; L549-F553 VanDerWaalsContact O-CB 3.25Å; L549-F553 WeakPolarHBondContact O-CB 3.17Å; L549-F553 PolarHBondContact O-N 2.8Å; L549-V578 HydrophobicContact CD1-CB 4.1Å; L549-V578 HydrophobicContact CD1-CG1 3.59Å; L549-V578 HydrophobicContact CD2-CG1 4.46Å; L549-T579 HydrophobicContact CB-CG2 3.72Å; L549-T579 HydrophobicContact CD1-CG2 3.7Å; L549-T579 HydrophobicContact CG-CG2 4.36Å |
| 550 | S | 94.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -67.1 | -39.5 | 174.7 | -175.3 | 0 | 0 | 0 | 0 | 111.2 | E546 F553 H554 H575 | E546-S550 WeakPolarHBondContact O-CA 3.31Å; E546-S550 WeakPolarHBondContact O-CB 3.48Å; E546-S550 PolarHBondContact O-N 3.35Å; S550-F553 PolarHBondContact O-N 2.92Å; S550-H554 WeakPolarHBondContact O-CB 3.24Å; S550-H554 PolarHBondContact O-CD2 2.94Å; S550-H554 PolarHBondContact O-N 3.01Å; S550-H554 PolarHBondContact OG-CD2 3.35Å; S550-H554 VanDerWaalsContact OG-CD2 3.26Å; S550-H554 PolarHBondContact OG-NE2 3.44Å; S550-H575 WeakPolarHBondContact CA-NE2 3.45Å |
| 551 | S | 93.7 | Very high | 90.9 | Very high | 57 Ų | 57 | 54.9 Ų | 54.9 | 40% | 0.399 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.7 | -49 | 173.1 | -176.3 | 0 | 0 | 0 | 0 | 111.8 | L547 L555 | L547-S551 WeakPolarHBondContact O-CB 3.37Å; L547-S551 PolarHBondContact O-N 2.88Å; S551-L555 VanDerWaalsContact O-CB 3.3Å; S551-L555 WeakPolarHBondContact O-CB 3.26Å; S551-L555 PolarHBondContact O-N 2.95Å |
| 552 | M | 93.6 | Very high | 89.6 | Confident | 118 Ų | 118 | 54.5 Ų | 54.5 | 58% | 0.581 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -63.3 | -42 | 176.2 | -70 | -67.5 | -174.3 | 0 | 0 | 112.7 | L548 L549 F556 | L548-M552 HydrophobicContact CD1-CE 4.45Å; L548-M552 WeakPolarHBondContact O-CG 3.44Å; L548-M552 PolarHBondContact O-N 3.24Å; L548-M552 VanDerWaalsContact O-N 3.13Å; L549-M552 PolarHBondContact O-N 3.26Å; M552-F556 WeakPolarHBondContact O-CB 3.3Å; M552-F556 PolarHBondContact O-N 3.11Å |
| 553 | F | 93.2 | Very high | 88.6 | Confident | 19 Ų | 19 | 56.8 Ų | 56.8 | 8% | 0.083 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.9 | -49.7 | 178.6 | 175.3 | -98.7 | 0 | 0 | 0 | 112 | L549 S550 F556 R557 L571 H575 | L549-F553 VanDerWaalsContact O-CB 3.25Å; L549-F553 WeakPolarHBondContact O-CB 3.17Å; L549-F553 PolarHBondContact O-N 2.8Å; S550-F553 PolarHBondContact O-N 2.92Å; F553-F556 PolarHBondContact O-N 3.39Å; F553-R557 WeakPolarHBondContact O-CB 3.43Å; F553-R557 PolarHBondContact O-N 2.98Å; F553-L571 HydrophobicContact CD2-CD2 3.74Å; F553-L571 HydrophobicContact CD2-CG 3.84Å; F553-L571 HydrophobicContact CE2-CD2 3.76Å; F553-L571 HydrophobicContact CE2-CG 3.97Å; F553-H575 HydrophobicContact CB-CB 4.42Å; F553-H575 AromaticContact CD1-CE1 3.69Å; F553-H575 AromaticContact CD1-ND1 3.46Å; F553-H575 WeakPolarHBondContact CD1-ND1 3.46Å; F553-H575 HydrophobicContact CD2-CB 3.62Å; F553-H575 AromaticContact CD2-CG 3.69Å; F553-H575 AromaticContact CD2-ND1 3.5Å; F553-H575 AromaticContact CE1-ND1 3.88Å; F553-H575 HydrophobicContact CE2-CB 4.14Å; F553-H575 AromaticContact CE2-ND1 3.93Å; F553-H575 HydrophobicContact CG-CB 4.14Å; F553-H575 AromaticContact CG-CE1 3.71Å; F553-H575 AromaticContact CG-CG 3.69Å; F553-H575 AromaticContact CG-ND1 3.25Å; F553-H575 WeakPolarHBondContact CG-ND1 3.31Å |
| 554 | H | 91.5 | Very high | 87.7 | Confident | 18 Ų | 18 | 59.1 Ų | 59.1 | 8% | 0.083 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.9 | -42.6 | 178.9 | -74.2 | -53.2 | 0 | 0 | 0 | 111.5 | A509 E512 S550 R557 F558 | A509-H554 HydrophobicContact CB-CB 4.34Å; E512-H554 IonicContact OE2-CD2 2.83Å; E512-H554 IonicContact OE2-CE1 2.8Å; E512-H554 IonicContact OE2-NE2 2.74Å; E512-H554 PolarHBondContact OE2-NE2 2.95Å; S550-H554 WeakPolarHBondContact O-CB 3.24Å; S550-H554 PolarHBondContact O-CD2 2.94Å; S550-H554 PolarHBondContact O-N 3.01Å; S550-H554 PolarHBondContact OG-CD2 3.35Å; S550-H554 VanDerWaalsContact OG-CD2 3.26Å; S550-H554 PolarHBondContact OG-NE2 3.44Å; H554-R557 PolarHBondContact O-N 2.88Å; H554-F558 HydrophobicContact CB-CD2 4.31Å; H554-F558 HydrophobicContact CB-CE2 4Å; H554-F558 WeakPolarHBondContact O-CD2 3.02Å; H554-F558 WeakPolarHBondContact O-CG 3.03Å; H554-F558 PolarHBondContact O-N 2.85Å |
| 555 | L | 91.6 | Very high | 87.1 | Confident | 107 Ų | 107 | 57.5 Ų | 57.5 | 56% | 0.56 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -55.2 | -55.6 | 175 | 178.2 | 62.3 | 0 | 0 | 0 | 111.4 | S551 R557 F558 T559 | S551-L555 VanDerWaalsContact O-CB 3.3Å; S551-L555 WeakPolarHBondContact O-CB 3.26Å; S551-L555 PolarHBondContact O-N 2.95Å; L555-R557 VanDerWaalsContact C-N 3.35Å; L555-R557 PolarHBondContact O-N 2.91Å; L555-F558 PolarHBondContact O-N 2.82Å; L555-T559 HydrophobicContact CD1-CG2 4.21Å; L555-T559 WeakPolarHBondContact O-CG2 3.32Å; L555-T559 PolarHBondContact O-N 2.84Å; L555-T559 PolarHBondContact O-OG1 2.82Å |
| 556 | F | 90.6 | Very high | 86.7 | Confident | 74 Ų | 74 | 56.1 Ų | 56.1 | 33% | 0.325 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.5 | -41.6 | -179.6 | -175.2 | -80.5 | 0 | 0 | 0 | 112.3 | M552 F553 F558 T559 F560 L563 L571 | M552-F556 WeakPolarHBondContact O-CB 3.3Å; M552-F556 PolarHBondContact O-N 3.11Å; F553-F556 PolarHBondContact O-N 3.39Å; F556-F558 VanDerWaalsContact C-N 3.29Å; F556-F558 PolarHBondContact O-N 2.89Å; F556-T559 PolarHBondContact O-N 3.33Å; F556-T559 PolarHBondContact O-OG1 3.05Å; F556-F560 HydrophobicContact CD1-CD2 4.22Å; F556-F560 AromaticContact CD2-CD2 3.66Å; F556-F560 HydrophobicContact CD2-CD2 3.66Å; F556-F560 AromaticContact CD2-CE2 3.87Å; F556-F560 HydrophobicContact CD2-CE2 3.87Å; F556-F560 HydrophobicContact CE1-CB 4.43Å; F556-F560 HydrophobicContact CE1-CD2 4.25Å; F556-F560 AromaticContact CE2-CD2 3.67Å; F556-F560 HydrophobicContact CE2-CD2 3.67Å; F556-F560 AromaticContact CE2-CE2 3.87Å; F556-F560 HydrophobicContact CE2-CE2 3.87Å; F556-F560 AromaticContact CG-CD2 3.95Å; F556-F560 HydrophobicContact CG-CD2 3.95Å; F556-F560 AromaticContact CZ-CD2 3.99Å; F556-F560 HydrophobicContact CZ-CD2 3.99Å; F556-F560 PolarHBondContact O-N 2.86Å; F556-L563 HydrophobicContact CD1-CD1 4.44Å; F556-L563 HydrophobicContact CE1-CD1 3.33Å; F556-L563 HydrophobicContact CZ-CD1 3.5Å; F556-L563 VanDerWaalsContact CZ-CD1 3.5Å; F556-L571 HydrophobicContact CD1-CD1 4.05Å; F556-L571 HydrophobicContact CD1-CD2 3.37Å; F556-L571 HydrophobicContact CD1-CG 4.33Å; F556-L571 HydrophobicContact CE1-CD1 4.2Å; F556-L571 HydrophobicContact CE1-CD2 3.82Å; F556-L571 HydrophobicContact CG-CD1 4.41Å; F556-L571 HydrophobicContact CG-CD2 4.23Å |
| 557 | R | 87.6 | Confident | 86.3 | Confident | 45 Ų | 45 | 63.7 Ų | 63.7 | 17% | 0.17 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.2 | -34 | 178.2 | -178.9 | -177.3 | 179.2 | 90.7 | -0.3 | 112.6 | F553 H554 L555 M568 | F553-R557 WeakPolarHBondContact O-CB 3.43Å; F553-R557 PolarHBondContact O-N 2.98Å; H554-R557 PolarHBondContact O-N 2.88Å; L555-R557 VanDerWaalsContact C-N 3.35Å; L555-R557 PolarHBondContact O-N 2.91Å; R557-M568 HydrophobicContact CG-CE 4.42Å; R557-M568 HydrophobicContact CG-SD 4.45Å |
| 558 | F | 87.1 | Confident | 85.8 | Confident | 47 Ų | 47 | 63.8 Ų | 63.8 | 21% | 0.206 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -87.4 | -24.8 | 178.7 | -64.3 | -46.9 | 0 | 0 | 0 | 113.8 | D505 Y506 A509 H554 L555 F556 | D505-F558 HydrophobicContact CB-CE1 4.49Å; Y506-F558 AromaticContact CD1-CD1 3.94Å; Y506-F558 HydrophobicContact CD1-CD1 3.94Å; Y506-F558 AromaticContact CD1-CD2 3.96Å; Y506-F558 HydrophobicContact CD1-CD2 3.96Å; Y506-F558 AromaticContact CD1-CE1 3.83Å; Y506-F558 HydrophobicContact CD1-CE1 3.83Å; Y506-F558 AromaticContact CD1-CE2 3.87Å; Y506-F558 HydrophobicContact CD1-CE2 3.87Å; Y506-F558 HydrophobicContact CD1-CG 4.02Å; Y506-F558 AromaticContact CD1-CZ 3.8Å; Y506-F558 HydrophobicContact CD1-CZ 3.8Å; Y506-F558 HydrophobicContact CD2-CE1 4.08Å; Y506-F558 HydrophobicContact CD2-CZ 4.46Å; Y506-F558 HydrophobicContact CE1-CB 3.94Å; Y506-F558 AromaticContact CE1-CD1 3.35Å; Y506-F558 HydrophobicContact CE1-CD1 3.35Å; Y506-F558 AromaticContact CE1-CD2 3.85Å; Y506-F558 HydrophobicContact CE1-CD2 3.85Å; Y506-F558 AromaticContact CE1-CE1 3.71Å; Y506-F558 HydrophobicContact CE1-CE1 3.71Å; Y506-F558 HydrophobicContact CE1-CE2 4.17Å; Y506-F558 AromaticContact CE1-CG 3.44Å; Y506-F558 HydrophobicContact CE1-CG 3.44Å; Y506-F558 VanDerWaalsContact CE1-CG 3.44Å; Y506-F558 HydrophobicContact CE1-CZ 4.11Å; Y506-F558 HydrophobicContact CE2-CD1 4.05Å; Y506-F558 AromaticContact CE2-CE1 3.95Å; Y506-F558 HydrophobicContact CE2-CE1 3.95Å; Y506-F558 HydrophobicContact CG-CE1 4.02Å; Y506-F558 HydrophobicContact CG-CE2 4.46Å; Y506-F558 HydrophobicContact CG-CZ 4Å; Y506-F558 AromaticContact CZ-CD1 3.42Å; Y506-F558 VanDerWaalsContact CZ-CD1 3.42Å; Y506-F558 AromaticContact CZ-CE1 3.77Å; Y506-F558 AromaticContact CZ-CG 3.96Å; A509-F558 HydrophobicContact CB-CE2 3.87Å; A509-F558 HydrophobicContact CB-CZ 4Å; H554-F558 HydrophobicContact CB-CD2 4.31Å; H554-F558 HydrophobicContact CB-CE2 4Å; H554-F558 WeakPolarHBondContact O-CD2 3.02Å; H554-F558 WeakPolarHBondContact O-CG 3.03Å; H554-F558 PolarHBondContact O-N 2.85Å; L555-F558 PolarHBondContact O-N 2.82Å; F556-F558 VanDerWaalsContact C-N 3.29Å; F556-F558 PolarHBondContact O-N 2.89Å |
| 559 | T | 86.3 | Confident | 85.5 | Confident | 84 Ų | 84 | 59.3 Ų | 59.3 | 52% | 0.515 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -82 | -33.2 | 174.8 | 56.4 | 0 | 0 | 0 | 0 | 113.3 | L555 F556 | L555-T559 HydrophobicContact CD1-CG2 4.21Å; L555-T559 WeakPolarHBondContact O-CG2 3.32Å; L555-T559 PolarHBondContact O-N 2.84Å; L555-T559 PolarHBondContact O-OG1 2.82Å; F556-T559 PolarHBondContact O-N 3.33Å; F556-T559 PolarHBondContact O-OG1 3.05Å |
| 560 | F | 80.6 | Confident | 85.3 | Confident | 100 Ų | 100 | 59.1 Ų | 59.1 | 44% | 0.439 | 30% | 0.295 | S | S | . | . | trans | -113.3 | 65.3 | -171.4 | -65.7 | -70.9 | 0 | 0 | 0 | 113.5 | F556 S562 L563 | F556-F560 HydrophobicContact CD1-CD2 4.22Å; F556-F560 AromaticContact CD2-CD2 3.66Å; F556-F560 HydrophobicContact CD2-CD2 3.66Å; F556-F560 AromaticContact CD2-CE2 3.87Å; F556-F560 HydrophobicContact CD2-CE2 3.87Å; F556-F560 HydrophobicContact CE1-CB 4.43Å; F556-F560 HydrophobicContact CE1-CD2 4.25Å; F556-F560 AromaticContact CE2-CD2 3.67Å; F556-F560 HydrophobicContact CE2-CD2 3.67Å; F556-F560 AromaticContact CE2-CE2 3.87Å; F556-F560 HydrophobicContact CE2-CE2 3.87Å; F556-F560 AromaticContact CG-CD2 3.95Å; F556-F560 HydrophobicContact CG-CD2 3.95Å; F556-F560 AromaticContact CZ-CD2 3.99Å; F556-F560 HydrophobicContact CZ-CD2 3.99Å; F556-F560 PolarHBondContact O-N 2.86Å; F560-S562 VanDerWaalsContact C-N 3.3Å; F560-S562 PolarHBondContact O-N 2.84Å; F560-L563 HydrophobicContact CB-CD1 3.44Å; F560-L563 VanDerWaalsContact CB-CD1 3.44Å; F560-L563 HydrophobicContact CB-CG 3.87Å; F560-L563 HydrophobicContact CG-CD1 4.13Å | ||
| 561 | Q | 69.1 | Low | 85.2 | Confident | 113 Ų | 113 | 61.2 Ų | 61.2 | 53% | 0.528 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -22.4 | -177.2 | -172.3 | 173.4 | -5.3 | 0 | 0 | 114.7 | ||
| 562 | S | 65.6 | Low | 85.1 | Confident | 80 Ų | 80 | 58.8 Ų | 58.8 | 56% | 0.559 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.3 | 10 | -173.6 | 52.7 | 0 | 0 | 0 | 0 | 115.3 | F560 | F560-S562 VanDerWaalsContact C-N 3.3Å; F560-S562 PolarHBondContact O-N 2.84Å |
| 563 | L | 71.2 | Confident | 85.1 | Confident | 49 Ų | 49 | 54.1 Ų | 54.1 | 26% | 0.257 | 27% | 0.266 | S | S | . | . | trans | -65.2 | 148.3 | 179.1 | -81.4 | 170.1 | 0 | 0 | 0 | 113.2 | F496 F556 F560 | F496-L563 WeakPolarHBondContact CZ-O 3.48Å; F556-L563 HydrophobicContact CD1-CD1 4.44Å; F556-L563 HydrophobicContact CE1-CD1 3.33Å; F556-L563 HydrophobicContact CZ-CD1 3.5Å; F556-L563 VanDerWaalsContact CZ-CD1 3.5Å; F560-L563 HydrophobicContact CB-CD1 3.44Å; F560-L563 VanDerWaalsContact CB-CD1 3.44Å; F560-L563 HydrophobicContact CB-CG 3.87Å; F560-L563 HydrophobicContact CG-CD1 4.13Å | ||
| 564 | H | 77.1 | Confident | 85.1 | Confident | 48 Ų | 48 | 58.2 Ų | 58.2 | 22% | 0.222 | 29% | 0.287 | C | S | . | . | trans | -50.1 | 136.8 | 171.1 | -164.5 | -108 | 0 | 0 | 0 | 110.9 | V336 D566 W567 M568 | V336-H564 WeakPolarHBondContact CG1-NE2 3.44Å; H564-D566 IonicContact CE1-OD2 3.54Å; H564-D566 PolarHBondContact CE1-OD2 2.88Å; H564-D566 VanDerWaalsContact CE1-OD2 3.3Å; H564-D566 IonicContact ND1-OD2 2.76Å; H564-D566 PolarHBondContact O-N 2.91Å; H564-D566 VanDerWaalsContact O-N 3.07Å; H564-W567 PolarHBondContact O-N 2.6Å; H564-M568 PolarHBondContact O-N 2.8Å | ||
| 565 | P | 81.4 | Confident | 85.2 | Confident | 28 Ų | 28 | 58 Ų | 58 | 18% | 0.182 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.4 | -30.5 | -174.3 | 21 | -33.2 | 0 | 0 | 0 | 113.3 | V336 F496 M568 L569 | V336-P565 HydrophobicContact CG1-CG 4.46Å; F496-P565 HydrophobicContact CD2-CB 4.47Å; F496-P565 HydrophobicContact CD2-CG 4.32Å; P565-M568 PolarHBondContact O-N 2.83Å; P565-L569 PolarHBondContact O-N 2.76Å |
| 566 | D | 85.3 | Confident | 85.3 | Confident | 6 Ų | 6 | 53.3 Ų | 53.3 | 3% | 0.032 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -69.7 | -33.5 | -179.6 | -60.1 | -14.3 | 0 | 0 | 0 | 112.3 | D339 R343 H564 L569 L570 | D339-D566 PolarHBondContact N-OD2 2.77Å; R343-D566 IonicContact CZ-OD1 3.37Å; R343-D566 IonicContact NE-OD1 2.8Å; R343-D566 PolarHBondContact NE-OD1 2.96Å; R343-D566 IonicContact NH2-OD1 3.14Å; R343-D566 PolarHBondContact NH2-OD1 2.97Å; H564-D566 IonicContact CE1-OD2 3.54Å; H564-D566 PolarHBondContact CE1-OD2 2.88Å; H564-D566 VanDerWaalsContact CE1-OD2 3.3Å; H564-D566 IonicContact ND1-OD2 2.76Å; H564-D566 PolarHBondContact O-N 2.91Å; H564-D566 VanDerWaalsContact O-N 3.07Å; D566-L569 PolarHBondContact O-N 3.17Å; D566-L570 WeakPolarHBondContact O-CB 3.47Å; D566-L570 VanDerWaalsContact O-CG 3.28Å; D566-L570 WeakPolarHBondContact O-CG 3.43Å; D566-L570 PolarHBondContact O-N 3.44Å |
| 567 | W | 86.3 | Confident | 85.4 | Confident | 159 Ų | 159 | 50.5 Ų | 50.5 | 60% | 0.602 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -69 | -37.6 | 172.6 | -69.5 | 124.1 | 0 | 0 | 0 | 111.9 | H564 L570 L571 | H564-W567 PolarHBondContact O-N 2.6Å; W567-L570 HydrophobicContact CE3-CD1 3.74Å; W567-L570 HydrophobicContact CZ3-CD1 3.9Å; W567-L570 PolarHBondContact O-N 2.69Å; W567-L571 VanDerWaalsContact O-CB 3.31Å; W567-L571 WeakPolarHBondContact O-CB 3.39Å; W567-L571 PolarHBondContact O-N 3.42Å |
| 568 | M | 86.6 | Confident | 85.7 | Confident | 39 Ų | 39 | 51 Ų | 51 | 19% | 0.192 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.2 | -36.3 | 174.7 | -176.1 | 60.4 | 63.3 | 0 | 0 | 111.9 | R557 H564 P565 S572 | R557-M568 HydrophobicContact CG-CE 4.42Å; R557-M568 HydrophobicContact CG-SD 4.45Å; H564-M568 PolarHBondContact O-N 2.8Å; P565-M568 PolarHBondContact O-N 2.83Å; M568-S572 WeakPolarHBondContact O-CB 3.3Å; M568-S572 PolarHBondContact O-N 3.12Å; M568-S572 VanDerWaalsContact O-N 3.09Å; M568-S572 PolarHBondContact O-OG 2.93Å |
| 569 | L | 89.1 | Confident | 86 | Confident | 10 Ų | 10 | 48.8 Ų | 48.8 | 5% | 0.052 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.7 | -49.2 | 172.6 | -177.8 | 67.1 | 0 | 0 | 0 | 111.3 | R343 V346 V395 L398 P565 D566 L571 S572 F573 | R343-L569 HydrophobicContact CG-CD2 3.98Å; V346-L569 HydrophobicContact CG1-CD2 4.38Å; V346-L569 HydrophobicContact CG1-CG 4.36Å; V395-L569 HydrophobicContact CG1-CD1 4.04Å; L398-L569 HydrophobicContact CB-CD1 3.89Å; P565-L569 PolarHBondContact O-N 2.76Å; D566-L569 PolarHBondContact O-N 3.17Å; L569-L571 PolarHBondContact O-N 3.32Å; L569-S572 PolarHBondContact O-N 2.78Å; L569-F573 WeakPolarHBondContact O-CB 3.5Å; L569-F573 PolarHBondContact O-N 3.25Å |
| 570 | L | 90.9 | Very high | 86.4 | Confident | 41 Ų | 41 | 44.9 Ų | 44.9 | 22% | 0.215 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.4 | -44.3 | 177.1 | -76.7 | 168.2 | 0 | 0 | 0 | 112.2 | L342 V346 D566 W567 S572 F573 M574 | L342-L570 HydrophobicContact CD1-CD1 4.28Å; L342-L570 HydrophobicContact CD2-CD1 4.21Å; L342-L570 HydrophobicContact CD2-CD2 4.14Å; L342-L570 HydrophobicContact CD2-CG 4.15Å; V346-L570 HydrophobicContact CG2-CD2 3.94Å; D566-L570 WeakPolarHBondContact O-CB 3.47Å; D566-L570 VanDerWaalsContact O-CG 3.28Å; D566-L570 WeakPolarHBondContact O-CG 3.43Å; D566-L570 PolarHBondContact O-N 3.44Å; W567-L570 HydrophobicContact CE3-CD1 3.74Å; W567-L570 HydrophobicContact CZ3-CD1 3.9Å; W567-L570 PolarHBondContact O-N 2.69Å; L570-S572 VanDerWaalsContact C-N 3.35Å; L570-S572 PolarHBondContact O-N 3.31Å; L570-F573 PolarHBondContact O-N 3.43Å; L570-M574 WeakPolarHBondContact O-CB 3.39Å; L570-M574 WeakPolarHBondContact O-CG 3.36Å; L570-M574 PolarHBondContact O-N 2.79Å |
| 571 | L | 90.8 | Very high | 87 | Confident | 44 Ų | 44 | 42 Ų | 42 | 23% | 0.23 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.9 | -44.3 | 175.9 | -173.2 | 83.2 | 0 | 0 | 0 | 111.4 | F553 F556 W567 L569 M574 H575 | F553-L571 HydrophobicContact CD2-CD2 3.74Å; F553-L571 HydrophobicContact CD2-CG 3.84Å; F553-L571 HydrophobicContact CE2-CD2 3.76Å; F553-L571 HydrophobicContact CE2-CG 3.97Å; F556-L571 HydrophobicContact CD1-CD1 4.05Å; F556-L571 HydrophobicContact CD1-CD2 3.37Å; F556-L571 HydrophobicContact CD1-CG 4.33Å; F556-L571 HydrophobicContact CE1-CD1 4.2Å; F556-L571 HydrophobicContact CE1-CD2 3.82Å; F556-L571 HydrophobicContact CG-CD1 4.41Å; F556-L571 HydrophobicContact CG-CD2 4.23Å; W567-L571 VanDerWaalsContact O-CB 3.31Å; W567-L571 WeakPolarHBondContact O-CB 3.39Å; W567-L571 PolarHBondContact O-N 3.42Å; L569-L571 PolarHBondContact O-N 3.32Å; L571-M574 PolarHBondContact O-N 3.24Å; L571-H575 VanDerWaalsContact O-CB 3.26Å; L571-H575 WeakPolarHBondContact O-CB 3.38Å; L571-H575 PolarHBondContact O-N 2.94Å |
| 572 | S | 90.9 | Very high | 88.1 | Confident | 6 Ų | 6 | 38.8 Ų | 38.8 | 4% | 0.042 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67 | -37.9 | 179.1 | -57.5 | 0 | 0 | 0 | 0 | 112.3 | M568 L569 L570 T576 | M568-S572 WeakPolarHBondContact O-CB 3.3Å; M568-S572 PolarHBondContact O-N 3.12Å; M568-S572 VanDerWaalsContact O-N 3.09Å; M568-S572 PolarHBondContact O-OG 2.93Å; L569-S572 PolarHBondContact O-N 2.78Å; L570-S572 VanDerWaalsContact C-N 3.35Å; L570-S572 PolarHBondContact O-N 3.31Å; S572-T576 WeakPolarHBondContact O-CG2 3.31Å; S572-T576 PolarHBondContact O-N 2.88Å; S572-T576 VanDerWaalsContact O-N 3.12Å; S572-T576 PolarHBondContact O-OG1 2.78Å |
| 573 | F | 94.1 | Very high | 89.4 | Confident | 19 Ų | 19 | 35 Ų | 35 | 8% | 0.083 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.6 | -55.2 | 171.6 | 173.5 | -90.9 | 0 | 0 | 0 | 111 | V346 L349 V395 L569 L570 H575 T576 H577 | V346-F573 HydrophobicContact CG1-CB 4.19Å; V346-F573 HydrophobicContact CG1-CD2 3.67Å; V346-F573 HydrophobicContact CG1-CE2 4.28Å; V346-F573 HydrophobicContact CG1-CG 4.01Å; L349-F573 HydrophobicContact CB-CE2 4.39Å; L349-F573 HydrophobicContact CB-CZ 4.33Å; L349-F573 HydrophobicContact CD2-CZ 3.73Å; L349-F573 HydrophobicContact CG-CE2 4.4Å; L349-F573 HydrophobicContact CG-CZ 3.97Å; V395-F573 HydrophobicContact CG1-CB 4.2Å; V395-F573 HydrophobicContact CG1-CD2 4.4Å; L569-F573 WeakPolarHBondContact O-CB 3.5Å; L569-F573 PolarHBondContact O-N 3.25Å; L570-F573 PolarHBondContact O-N 3.43Å; F573-H575 VanDerWaalsContact C-N 3.35Å; F573-H575 PolarHBondContact O-N 3.02Å; F573-T576 PolarHBondContact O-N 3.31Å; F573-T576 PolarHBondContact O-OG1 2.86Å; F573-T576 VanDerWaalsContact O-OG1 3.06Å; F573-H577 AromaticContact CD2-CD2 3.49Å; F573-H577 VanDerWaalsContact CD2-CD2 3.49Å; F573-H577 WeakPolarHBondContact CD2-CD2 3.28Å; F573-H577 AromaticContact CD2-NE2 3.21Å; F573-H577 WeakPolarHBondContact CD2-NE2 3.42Å; F573-H577 AromaticContact CE1-CD2 3.83Å; F573-H577 AromaticContact CE2-CD2 3.27Å; F573-H577 WeakPolarHBondContact CE2-CD2 3.37Å; F573-H577 AromaticContact CE2-NE2 2.86Å; F573-H577 WeakPolarHBondContact CE2-NE2 3.33Å; F573-H577 AromaticContact CG-CD2 3.88Å; F573-H577 AromaticContact CZ-CD2 3.42Å; F573-H577 VanDerWaalsContact CZ-CD2 3.42Å; F573-H577 WeakPolarHBondContact CZ-CD2 3.39Å; F573-H577 AromaticContact CZ-NE2 3.69Å; F573-H577 PolarHBondContact O-CD2 2.98Å; F573-H577 VanDerWaalsContact O-CD2 3.28Å; F573-H577 PolarHBondContact O-N 2.81Å |
| 574 | M | 93.4 | Very high | 90.4 | Very high | 106 Ų | 106 | 33.3 Ų | 33.3 | 52% | 0.522 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -60.8 | -42 | -179 | -70.9 | -57.9 | -63.7 | 0 | 0 | 112.2 | L570 L571 V578 | L570-M574 WeakPolarHBondContact O-CB 3.39Å; L570-M574 WeakPolarHBondContact O-CG 3.36Å; L570-M574 PolarHBondContact O-N 2.79Å; L571-M574 PolarHBondContact O-N 3.24Å; M574-V578 HydrophobicContact CE-CG2 4.32Å; M574-V578 WeakPolarHBondContact O-CB 3.46Å; M574-V578 VanDerWaalsContact O-CG2 3.26Å; M574-V578 WeakPolarHBondContact O-CG2 3.34Å; M574-V578 PolarHBondContact O-N 3.24Å |
| 575 | H | 94.1 | Very high | 91 | Very high | 14 Ų | 14 | 34.6 Ų | 34.6 | 7% | 0.065 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.4 | -53.4 | 175.2 | 175.3 | -142.3 | 0 | 0 | 0 | 111.7 | S550 F553 L571 F573 H577 V578 T579 | S550-H575 WeakPolarHBondContact CA-NE2 3.45Å; F553-H575 HydrophobicContact CB-CB 4.42Å; F553-H575 AromaticContact CD1-CE1 3.69Å; F553-H575 AromaticContact CD1-ND1 3.46Å; F553-H575 WeakPolarHBondContact CD1-ND1 3.46Å; F553-H575 HydrophobicContact CD2-CB 3.62Å; F553-H575 AromaticContact CD2-CG 3.69Å; F553-H575 AromaticContact CD2-ND1 3.5Å; F553-H575 AromaticContact CE1-ND1 3.88Å; F553-H575 HydrophobicContact CE2-CB 4.14Å; F553-H575 AromaticContact CE2-ND1 3.93Å; F553-H575 HydrophobicContact CG-CB 4.14Å; F553-H575 AromaticContact CG-CE1 3.71Å; F553-H575 AromaticContact CG-CG 3.69Å; F553-H575 AromaticContact CG-ND1 3.25Å; F553-H575 WeakPolarHBondContact CG-ND1 3.31Å; L571-H575 VanDerWaalsContact O-CB 3.26Å; L571-H575 WeakPolarHBondContact O-CB 3.38Å; L571-H575 PolarHBondContact O-N 2.94Å; F573-H575 VanDerWaalsContact C-N 3.35Å; F573-H575 PolarHBondContact O-N 3.02Å; H575-H577 PolarHBondContact O-N 3.26Å; H575-V578 PolarHBondContact O-N 3.18Å; H575-T579 PolarHBondContact O-N 3.39Å; H575-T579 PolarHBondContact O-OG1 3.22Å |
| 576 | T | 93.3 | Very high | 91.4 | Very high | 8 Ų | 8 | 35 Ų | 35 | 5% | 0.049 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.5 | -37.4 | -178.5 | 50.5 | 0 | 0 | 0 | 0 | 112.8 | V395 S572 F573 I580 | V395-T576 HydrophobicContact CG2-CG2 4.16Å; V395-T576 WeakPolarHBondContact CG2-OG1 3.47Å; S572-T576 WeakPolarHBondContact O-CG2 3.31Å; S572-T576 PolarHBondContact O-N 2.88Å; S572-T576 VanDerWaalsContact O-N 3.12Å; S572-T576 PolarHBondContact O-OG1 2.78Å; F573-T576 PolarHBondContact O-N 3.31Å; F573-T576 PolarHBondContact O-OG1 2.86Å; F573-T576 VanDerWaalsContact O-OG1 3.06Å; T576-I580 HydrophobicContact CG2-CD1 4.36Å; T576-I580 WeakPolarHBondContact O-CB 3.45Å; T576-I580 VanDerWaalsContact O-CD1 3.26Å; T576-I580 WeakPolarHBondContact O-CD1 3.25Å; T576-I580 WeakPolarHBondContact O-CG1 3.4Å; T576-I580 PolarHBondContact O-N 3.3Å |
| 577 | H | 93.4 | Very high | 91.4 | Very high | 15 Ų | 15 | 35.2 Ų | 35.2 | 7% | 0.069 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.1 | -49.9 | 174.8 | -82.5 | -72.6 | 0 | 0 | 0 | 112.5 | Q350 F353 Y392 F573 H575 T579 T581 | Q350-H577 CovalentContact OE1-NE2 1.82Å; Q350-H577 PolarHBondContact OE1-NE2 3.49Å; F353-H577 WeakPolarHBondContact CB-CE1 3.3Å; F353-H577 AromaticContact CD1-CE1 3.72Å; F353-H577 AromaticContact CD2-CE1 2.66Å; F353-H577 WeakPolarHBondContact CD2-CE1 3.44Å; F353-H577 AromaticContact CD2-ND1 3.75Å; F353-H577 AromaticContact CE2-CE1 3.62Å; F353-H577 AromaticContact CE2-ND1 3.99Å; F353-H577 AromaticContact CG-CE1 2.72Å; F353-H577 WeakPolarHBondContact CG-CE1 3.36Å; F353-H577 AromaticContact CG-ND1 3.96Å; Y392-H577 AromaticContact CE1-CE1 3.55Å; Y392-H577 AromaticContact CE1-ND1 3.79Å; F573-H577 AromaticContact CD2-CD2 3.49Å; F573-H577 VanDerWaalsContact CD2-CD2 3.49Å; F573-H577 WeakPolarHBondContact CD2-CD2 3.28Å; F573-H577 AromaticContact CD2-NE2 3.21Å; F573-H577 WeakPolarHBondContact CD2-NE2 3.42Å; F573-H577 AromaticContact CE1-CD2 3.83Å; F573-H577 AromaticContact CE2-CD2 3.27Å; F573-H577 WeakPolarHBondContact CE2-CD2 3.37Å; F573-H577 AromaticContact CE2-NE2 2.86Å; F573-H577 WeakPolarHBondContact CE2-NE2 3.33Å; F573-H577 AromaticContact CG-CD2 3.88Å; F573-H577 AromaticContact CZ-CD2 3.42Å; F573-H577 VanDerWaalsContact CZ-CD2 3.42Å; F573-H577 WeakPolarHBondContact CZ-CD2 3.39Å; F573-H577 AromaticContact CZ-NE2 3.69Å; F573-H577 PolarHBondContact O-CD2 2.98Å; F573-H577 VanDerWaalsContact O-CD2 3.28Å; F573-H577 PolarHBondContact O-N 2.81Å; H575-H577 PolarHBondContact O-N 3.26Å; H577-T579 VanDerWaalsContact C-N 3.28Å; H577-T579 PolarHBondContact O-N 3.48Å; H577-T581 HydrophobicContact CB-CG2 4.46Å; H577-T581 VanDerWaalsContact O-CB 3.27Å; H577-T581 WeakPolarHBondContact O-CB 3.44Å; H577-T581 VanDerWaalsContact O-CG2 3.31Å; H577-T581 WeakPolarHBondContact O-CG2 3.36Å; H577-T581 PolarHBondContact O-N 3.36Å; H577-T581 PolarHBondContact O-OG1 3.3Å |
| 578 | V | 93.6 | Very high | 91.3 | Very high | 55 Ų | 55 | 29.1 Ų | 29.1 | 33% | 0.333 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -70.3 | -24.1 | -175.2 | -174.1 | 0 | 0 | 0 | 0 | 112 | N545 L549 M574 H575 V582 | N545-V578 PolarHBondContact ND2-O 3.02Å; L549-V578 HydrophobicContact CD1-CB 4.1Å; L549-V578 HydrophobicContact CD1-CG1 3.59Å; L549-V578 HydrophobicContact CD2-CG1 4.46Å; M574-V578 HydrophobicContact CE-CG2 4.32Å; M574-V578 WeakPolarHBondContact O-CB 3.46Å; M574-V578 VanDerWaalsContact O-CG2 3.26Å; M574-V578 WeakPolarHBondContact O-CG2 3.34Å; M574-V578 PolarHBondContact O-N 3.24Å; H575-V578 PolarHBondContact O-N 3.18Å; V578-V582 WeakPolarHBondContact O-CB 3.47Å; V578-V582 WeakPolarHBondContact O-CG2 3.48Å |
| 579 | T | 94.3 | Very high | 91 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.006 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -82.4 | -53.6 | 168.5 | 71 | 0 | 0 | 0 | 0 | 113.1 | E546 L549 H575 H577 T583 | E546-T579 HydrophobicContact CB-CG2 4.38Å; E546-T579 WeakPolarHBondContact OE2-CB 3.35Å; E546-T579 WeakPolarHBondContact OE2-CG2 3.3Å; E546-T579 PolarHBondContact OE2-OG1 2.79Å; L549-T579 HydrophobicContact CB-CG2 3.72Å; L549-T579 HydrophobicContact CD1-CG2 3.7Å; L549-T579 HydrophobicContact CG-CG2 4.36Å; H575-T579 PolarHBondContact O-N 3.39Å; H575-T579 PolarHBondContact O-OG1 3.22Å; H577-T579 VanDerWaalsContact C-N 3.28Å; H577-T579 PolarHBondContact O-N 3.48Å; T579-T583 VanDerWaalsContact O-CG2 3.31Å; T579-T583 WeakPolarHBondContact O-CG2 3.23Å; T579-T583 PolarHBondContact O-N 3.15Å; T579-T583 PolarHBondContact O-OG1 2.9Å |
| 580 | I | 93.9 | Very high | 90.3 | Very high | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -73.2 | -40.6 | -169.7 | -52.1 | 160.4 | 0 | 0 | 0 | 111.6 | L391 Y392 T576 V582 T583 L584 | L391-I580 HydrophobicContact CB-CD1 3.46Å; L391-I580 VanDerWaalsContact CB-CD1 3.46Å; L391-I580 HydrophobicContact CB-CG1 4.01Å; L391-I580 HydrophobicContact CD1-CG1 4.33Å; Y392-I580 HydrophobicContact CD1-CD1 3.69Å; Y392-I580 HydrophobicContact CD2-CD1 4.17Å; Y392-I580 HydrophobicContact CD2-CG2 4.16Å; Y392-I580 HydrophobicContact CE1-CB 4.11Å; Y392-I580 HydrophobicContact CE1-CD1 3.72Å; Y392-I580 HydrophobicContact CE1-CG2 4.38Å; Y392-I580 HydrophobicContact CE2-CB 4.04Å; Y392-I580 HydrophobicContact CE2-CD1 4.19Å; Y392-I580 HydrophobicContact CE2-CG2 3.4Å; Y392-I580 VanDerWaalsContact CE2-CG2 3.4Å; Y392-I580 HydrophobicContact CG-CD1 3.93Å; T576-I580 HydrophobicContact CG2-CD1 4.36Å; T576-I580 WeakPolarHBondContact O-CB 3.45Å; T576-I580 VanDerWaalsContact O-CD1 3.26Å; T576-I580 WeakPolarHBondContact O-CD1 3.25Å; T576-I580 WeakPolarHBondContact O-CG1 3.4Å; T576-I580 PolarHBondContact O-N 3.3Å; I580-V582 PolarHBondContact O-N 3.19Å; I580-T583 WeakPolarHBondContact CA-OG1 3.48Å; I580-T583 PolarHBondContact O-OG1 3.36Å; I580-T583 VanDerWaalsContact O-OG1 3.1Å; I580-L584 HydrophobicContact CG2-CD1 3.92Å; I580-L584 HydrophobicContact CG2-CG 4.2Å; I580-L584 VanDerWaalsContact O-CB 3.31Å; I580-L584 WeakPolarHBondContact O-CB 3.29Å; I580-L584 VanDerWaalsContact O-CG 3.29Å; I580-L584 WeakPolarHBondContact O-CG 3.33Å; I580-L584 PolarHBondContact O-N 3.36Å |
| 581 | T | 92.6 | Very high | 89.5 | Confident | 38 Ų | 38 | 32.1 Ų | 32.1 | 23% | 0.233 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.5 | -40.6 | 178.3 | 65.5 | 0 | 0 | 0 | 0 | 111.6 | F353 Y392 H577 T585 | F353-T581 HydrophobicContact CD1-CG2 4.08Å; F353-T581 HydrophobicContact CE1-CG2 3.78Å; F353-T581 HydrophobicContact CZ-CG2 4.34Å; Y392-T581 VanDerWaalsContact OH-CG2 3.28Å; Y392-T581 WeakPolarHBondContact OH-CG2 3.31Å; H577-T581 HydrophobicContact CB-CG2 4.46Å; H577-T581 VanDerWaalsContact O-CB 3.27Å; H577-T581 WeakPolarHBondContact O-CB 3.44Å; H577-T581 VanDerWaalsContact O-CG2 3.31Å; H577-T581 WeakPolarHBondContact O-CG2 3.36Å; H577-T581 PolarHBondContact O-N 3.36Å; H577-T581 PolarHBondContact O-OG1 3.3Å; T581-T585 VanDerWaalsContact O-CB 3.23Å; T581-T585 WeakPolarHBondContact O-CB 3.44Å; T581-T585 PolarHBondContact O-N 2.91Å; T581-T585 PolarHBondContact O-OG1 2.55Å |
| 582 | V | 92.8 | Very high | 88.4 | Confident | 46 Ų | 46 | 34.5 Ų | 34.5 | 28% | 0.279 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -67.4 | -47.6 | 178.4 | 176.5 | 0 | 0 | 0 | 0 | 110.6 | V578 I580 L584 T585 L586 | V578-V582 WeakPolarHBondContact O-CB 3.47Å; V578-V582 WeakPolarHBondContact O-CG2 3.48Å; I580-V582 PolarHBondContact O-N 3.19Å; V582-L584 PolarHBondContact O-N 2.88Å; V582-T585 PolarHBondContact O-N 2.85Å; V582-L586 HydrophobicContact CG1-CD1 3.77Å; V582-L586 HydrophobicContact CG1-CG 4.29Å; V582-L586 WeakPolarHBondContact O-CB 3.42Å; V582-L586 WeakPolarHBondContact O-CG 3.47Å; V582-L586 PolarHBondContact O-N 2.86Å |
| 583 | T | 92.6 | Very high | 87.2 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.3 | -43.3 | 177.7 | 54.9 | 0 | 0 | 0 | 0 | 112.2 | Y422 A542 T579 I580 L587 | Y422-T583 HydrophobicContact CE1-CG2 4.09Å; Y422-T583 WeakPolarHBondContact OH-CG2 3.47Å; A542-T583 HydrophobicContact CB-CG2 3.67Å; T579-T583 VanDerWaalsContact O-CG2 3.31Å; T579-T583 WeakPolarHBondContact O-CG2 3.23Å; T579-T583 PolarHBondContact O-N 3.15Å; T579-T583 PolarHBondContact O-OG1 2.9Å; I580-T583 WeakPolarHBondContact CA-OG1 3.48Å; I580-T583 PolarHBondContact O-OG1 3.36Å; I580-T583 VanDerWaalsContact O-OG1 3.1Å; T583-L587 WeakPolarHBondContact O-CB 3.5Å; T583-L587 WeakPolarHBondContact O-CD1 3.43Å; T583-L587 WeakPolarHBondContact O-CG 3.37Å; T583-L587 PolarHBondContact O-N 3.15Å |
| 584 | L | 91.9 | Very high | 85.4 | Confident | 13 Ų | 13 | 46.4 Ų | 46.4 | 7% | 0.068 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.8 | -46.7 | 174.2 | -73.4 | 179.8 | 0 | 0 | 0 | 112.1 | V357 I384 L385 S388 I580 V582 L586 L587 L588 | V357-L584 HydrophobicContact CG2-CD1 3.73Å; I384-L584 HydrophobicContact CG2-CD2 4.22Å; L385-L584 HydrophobicContact CD2-CD2 3.71Å; S388-L584 WeakPolarHBondContact OG-CD2 3.02Å; I580-L584 HydrophobicContact CG2-CD1 3.92Å; I580-L584 HydrophobicContact CG2-CG 4.2Å; I580-L584 VanDerWaalsContact O-CB 3.31Å; I580-L584 WeakPolarHBondContact O-CB 3.29Å; I580-L584 VanDerWaalsContact O-CG 3.29Å; I580-L584 WeakPolarHBondContact O-CG 3.33Å; I580-L584 PolarHBondContact O-N 3.36Å; V582-L584 PolarHBondContact O-N 2.88Å; L584-L586 PolarHBondContact O-N 2.87Å; L584-L587 PolarHBondContact O-N 2.93Å; L584-L587 VanDerWaalsContact O-N 3.12Å; L584-L588 HydrophobicContact CB-CD1 4.01Å; L584-L588 HydrophobicContact CD2-CD1 4.33Å; L584-L588 VanDerWaalsContact O-CB 3.28Å; L584-L588 WeakPolarHBondContact O-CB 3.45Å; L584-L588 WeakPolarHBondContact O-CG 3.38Å; L584-L588 PolarHBondContact O-N 2.9Å |
| 585 | T | 89.4 | Confident | 83.5 | Confident | 76 Ų | 76 | 45.8 Ų | 45.8 | 47% | 0.466 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -58.5 | -48.2 | 179.4 | -59.5 | 0 | 0 | 0 | 0 | 111 | T581 V582 L587 V589 | T581-T585 VanDerWaalsContact O-CB 3.23Å; T581-T585 WeakPolarHBondContact O-CB 3.44Å; T581-T585 PolarHBondContact O-N 2.91Å; T581-T585 PolarHBondContact O-OG1 2.55Å; V582-T585 PolarHBondContact O-N 2.85Å; T585-L587 PolarHBondContact O-N 2.94Å; T585-V589 HydrophobicContact CG2-CG2 3.76Å; T585-V589 VanDerWaalsContact O-CB 3.25Å; T585-V589 WeakPolarHBondContact O-CB 3.18Å; T585-V589 WeakPolarHBondContact O-CG2 3.11Å; T585-V589 PolarHBondContact O-N 3.14Å |
| 586 | L | 89.8 | Confident | 81.3 | Confident | 35 Ų | 35 | 49.4 Ų | 49.4 | 18% | 0.183 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.4 | -21 | 178.8 | -69.1 | 174.4 | 0 | 0 | 0 | 114.1 | Y538 I541 A542 V582 L584 P590 | Y538-L586 HydrophobicContact CD1-CD2 4.02Å; I541-L586 HydrophobicContact CB-CD1 4.13Å; I541-L586 HydrophobicContact CG2-CD1 3.68Å; A542-L586 HydrophobicContact CB-CD1 4.43Å; V582-L586 HydrophobicContact CG1-CD1 3.77Å; V582-L586 HydrophobicContact CG1-CG 4.29Å; V582-L586 WeakPolarHBondContact O-CB 3.42Å; V582-L586 WeakPolarHBondContact O-CG 3.47Å; V582-L586 PolarHBondContact O-N 2.86Å; L584-L586 PolarHBondContact O-N 2.87Å; L586-P590 WeakPolarHBondContact O-CD 3.38Å; L586-P590 WeakPolarHBondContact O-CG 3.45Å |
| 587 | L | 86.2 | Confident | 79 | Confident | 12 Ų | 12 | 56 Ų | 56 | 6% | 0.063 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -103.6 | -24 | -177.6 | -65.7 | 172.4 | 0 | 0 | 0 | 114.1 | I384 I425 M539 T583 L584 T585 | I384-L587 HydrophobicContact CD1-CD1 4.37Å; I384-L587 HydrophobicContact CG2-CD1 4.36Å; I425-L587 HydrophobicContact CD1-CD1 3.88Å; I425-L587 HydrophobicContact CG1-CD1 4.18Å; M539-L587 HydrophobicContact CG-CD2 3.68Å; T583-L587 WeakPolarHBondContact O-CB 3.5Å; T583-L587 WeakPolarHBondContact O-CD1 3.43Å; T583-L587 WeakPolarHBondContact O-CG 3.37Å; T583-L587 PolarHBondContact O-N 3.15Å; L584-L587 PolarHBondContact O-N 2.93Å; L584-L587 VanDerWaalsContact O-N 3.12Å; T585-L587 PolarHBondContact O-N 2.94Å |
| 588 | L | 84.1 | Confident | 76.7 | Confident | 31 Ų | 31 | 56.2 Ų | 56.2 | 16% | 0.162 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -94.6 | -47.8 | 179.8 | -63.4 | 167.7 | 0 | 0 | 0 | 111.8 | L381 L385 L584 K591 F592 | L381-L588 HydrophobicContact CD1-CD2 3.84Å; L381-L588 HydrophobicContact CD2-CD2 4Å; L381-L588 HydrophobicContact CG-CD2 4.26Å; L385-L588 HydrophobicContact CD2-CD1 4.44Å; L385-L588 HydrophobicContact CD2-CD2 4.41Å; L584-L588 HydrophobicContact CB-CD1 4.01Å; L584-L588 HydrophobicContact CD2-CD1 4.33Å; L584-L588 VanDerWaalsContact O-CB 3.28Å; L584-L588 WeakPolarHBondContact O-CB 3.45Å; L584-L588 WeakPolarHBondContact O-CG 3.38Å; L584-L588 PolarHBondContact O-N 2.9Å; L588-K591 PolarHBondContact O-N 3.41Å; L588-F592 HydrophobicContact CB-CD2 4.33Å; L588-F592 HydrophobicContact CB-CE2 4.38Å; L588-F592 HydrophobicContact CD2-CE2 3.88Å; L588-F592 WeakPolarHBondContact O-CD2 3.17Å; L588-F592 PolarHBondContact O-N 3.26Å |
| 589 | V | 79.8 | Confident | 74.2 | Confident | 64 Ų | 64 | 62.8 Ų | 62.8 | 39% | 0.388 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -57.4 | -46.9 | -174.4 | 170 | 0 | 0 | 0 | 0 | 112.3 | T585 K591 F593 | T585-V589 HydrophobicContact CG2-CG2 3.76Å; T585-V589 VanDerWaalsContact O-CB 3.25Å; T585-V589 WeakPolarHBondContact O-CB 3.18Å; T585-V589 WeakPolarHBondContact O-CG2 3.11Å; T585-V589 PolarHBondContact O-N 3.14Å; V589-K591 PolarHBondContact O-N 3.33Å; V589-F593 HydrophobicContact CB-CD2 4.24Å; V589-F593 HydrophobicContact CG1-CD2 3.7Å; V589-F593 HydrophobicContact CG1-CE2 4.13Å; V589-F593 HydrophobicContact CG1-CG 4.33Å; V589-F593 HydrophobicContact CG2-CD2 4.41Å; V589-F593 HydrophobicContact CG2-CE2 4.22Å; V589-F593 WeakPolarHBondContact O-CB 3.27Å; V589-F593 PolarHBondContact O-N 3.35Å; V589-F593 VanDerWaalsContact O-N 3.15Å |
| 590 | P | 74.3 | Confident | 71.6 | Confident | 36 Ų | 36 | 73.4 Ų | 73.4 | 23% | 0.234 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.7 | -11.3 | 179.7 | -22.6 | 35.5 | 0 | 0 | 0 | 115 | Y538 L586 Y594 | Y538-P590 HydrophobicContact CD2-CB 4.39Å; Y538-P590 HydrophobicContact CD2-CG 3.87Å; Y538-P590 HydrophobicContact CE2-CB 4.25Å; Y538-P590 HydrophobicContact CE2-CG 3.92Å; Y538-P590 HydrophobicContact CG-CG 4.36Å; L586-P590 WeakPolarHBondContact O-CD 3.38Å; L586-P590 WeakPolarHBondContact O-CG 3.45Å; P590-Y594 WeakPolarHBondContact O-CD2 3.44Å |
| 591 | K | 73.8 | Confident | 69.4 | Low | 53 Ų | 53 | 79.7 Ų | 79.7 | 23% | 0.23 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -91.4 | -63.8 | 176.3 | -63.9 | -179.6 | 178.3 | -179.8 | 0 | 110.4 | L381 L588 V589 F593 Y594 E595 | L381-K591 HydrophobicContact CD2-CD 4.42Å; L588-K591 PolarHBondContact O-N 3.41Å; V589-K591 PolarHBondContact O-N 3.33Å; K591-F593 PolarHBondContact O-N 2.8Å; K591-Y594 PolarHBondContact O-N 2.99Å; K591-E595 PolarHBondContact O-N 2.69Å; K591-E595 VanDerWaalsContact O-N 3.07Å |
| 592 | F | 68.6 | Low | 67.2 | Low | 93 Ų | 93 | 82.4 Ų | 82.4 | 41% | 0.408 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -67 | -35.4 | -172.8 | -65.1 | -69.9 | 0 | 0 | 0 | 113.7 | L588 | L588-F592 HydrophobicContact CB-CD2 4.33Å; L588-F592 HydrophobicContact CB-CE2 4.38Å; L588-F592 HydrophobicContact CD2-CE2 3.88Å; L588-F592 WeakPolarHBondContact O-CD2 3.17Å; L588-F592 PolarHBondContact O-N 3.26Å |
| 593 | F | 64.9 | Low | 65 | Low | 137 Ų | 137 | 85.7 Ų | 85.7 | 60% | 0.601 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -75.7 | -34.2 | 178 | -76.6 | -96.4 | 0 | 0 | 0 | 112.3 | V589 K591 S596 | V589-F593 HydrophobicContact CB-CD2 4.24Å; V589-F593 HydrophobicContact CG1-CD2 3.7Å; V589-F593 HydrophobicContact CG1-CE2 4.13Å; V589-F593 HydrophobicContact CG1-CG 4.33Å; V589-F593 HydrophobicContact CG2-CD2 4.41Å; V589-F593 HydrophobicContact CG2-CE2 4.22Å; V589-F593 WeakPolarHBondContact O-CB 3.27Å; V589-F593 PolarHBondContact O-N 3.35Å; V589-F593 VanDerWaalsContact O-N 3.15Å; K591-F593 PolarHBondContact O-N 2.8Å; F593-S596 PolarHBondContact O-N 2.87Å; F593-S596 PolarHBondContact O-OG 3.01Å |
| 594 | Y | 56.4 | Low | 62.6 | Low | 139 Ų | 139 | 89 Ų | 89 | 55% | 0.545 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -71.4 | -38.1 | 176.2 | -87.4 | -91.7 | 0 | 0 | 0 | 112 | P590 K591 S596 K597 A598 | P590-Y594 WeakPolarHBondContact O-CD2 3.44Å; K591-Y594 PolarHBondContact O-N 2.99Å; Y594-S596 PolarHBondContact O-N 3.32Å; Y594-S596 VanDerWaalsContact O-N 3.1Å; Y594-K597 PolarHBondContact O-N 3.34Å; Y594-A598 WeakPolarHBondContact O-CB 2.97Å; Y594-A598 PolarHBondContact O-N 3.36Å |
| 595 | E | 54 | Low | 60.5 | Low | 92 Ų | 92 | 91 Ų | 91 | 43% | 0.43 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -54.4 | -31.6 | 172.5 | -80.6 | -178.1 | 115 | 0 | 0 | 112.9 | K591 | K591-E595 PolarHBondContact O-N 2.69Å; K591-E595 VanDerWaalsContact O-N 3.07Å |
| 596 | S | 48.9 | Very low | 58.7 | Low | 90 Ų | 90 | 93.8 Ų | 93.8 | 63% | 0.629 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -70 | -29.5 | 176.9 | 81.2 | 0 | 0 | 0 | 0 | 114.3 | F593 Y594 | F593-S596 PolarHBondContact O-N 2.87Å; F593-S596 PolarHBondContact O-OG 3.01Å; Y594-S596 PolarHBondContact O-N 3.32Å; Y594-S596 VanDerWaalsContact O-N 3.1Å |
| 597 | K | 44 | Very low | 56.7 | Low | 147 Ų | 147 | 96.8 Ų | 96.8 | 64% | 0.639 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -96.8 | -42.5 | 178 | -78.1 | -169.3 | 172.5 | -172.1 | 0 | 113 | Y594 R599 R600 | Y594-K597 PolarHBondContact O-N 3.34Å; K597-R599 PolarHBondContact O-N 2.82Å; K597-R599 VanDerWaalsContact O-N 3.14Å; K597-R600 PolarHBondContact O-N 3.01Å |
| 598 | A | 44.6 | Very low | 54.8 | Low | 19 Ų | 19 | 104.2 Ų | 104.2 | 16% | 0.157 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -52.7 | -36 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y594 R600 E601 E602 | Y594-A598 WeakPolarHBondContact O-CB 2.97Å; Y594-A598 PolarHBondContact O-N 3.36Å; A598-R600 PolarHBondContact O-N 3.39Å; A598-E601 PolarHBondContact O-N 2.78Å; A598-E602 HydrophobicContact CB-CB 4.26Å; A598-E602 WeakPolarHBondContact O-CB 3.36Å; A598-E602 PolarHBondContact O-N 2.75Å |
| 599 | R | 40.8 | Very low | 53.1 | Low | 194 Ų | 194 | 107.9 Ų | 107.9 | 73% | 0.732 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -52.2 | -16.6 | 172.8 | -163.8 | 175.4 | -178.2 | -159.7 | -1.5 | 115.6 | K597 I603 | K597-R599 PolarHBondContact O-N 2.82Å; K597-R599 VanDerWaalsContact O-N 3.14Å; R599-I603 VanDerWaalsContact O-CD1 3.31Å; R599-I603 WeakPolarHBondContact O-CD1 3.31Å |
| 600 | R | 41.4 | Very low | 51.5 | Low | 223 Ų | 223 | 109.8 Ų | 109.8 | 84% | 0.842 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -103.5 | -22.4 | 172.9 | 176.5 | 171.3 | -84.4 | -177.4 | -6.3 | 114.4 | K597 A598 | K597-R600 PolarHBondContact O-N 3.01Å; A598-R600 PolarHBondContact O-N 3.39Å |
| 601 | E | 46.8 | Very low | 50.2 | Low | 134 Ų | 134 | 114.3 Ų | 114.3 | 63% | 0.626 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -108.9 | -33.7 | -173.4 | -68.4 | 172.5 | 178.2 | 0 | 0 | 112.8 | A598 I603 A604 A605 | A598-E601 PolarHBondContact O-N 2.78Å; E601-I603 VanDerWaalsContact C-N 3.3Å; E601-I603 PolarHBondContact O-N 3.28Å; E601-A604 WeakPolarHBondContact O-CA 3.06Å; E601-A604 WeakPolarHBondContact O-CB 3.37Å; E601-A604 PolarHBondContact O-N 3.24Å; E601-A605 PolarHBondContact O-N 3.33Å |
| 602 | E | 46 | Very low | 49 | Very low | 95 Ų | 95 | 114 Ų | 114 | 44% | 0.444 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64 | -34.2 | 178.3 | -159.4 | 159.5 | -130.3 | 0 | 0 | 111.2 | A598 A604 A605 E606 | A598-E602 HydrophobicContact CB-CB 4.26Å; A598-E602 WeakPolarHBondContact O-CB 3.36Å; A598-E602 PolarHBondContact O-N 2.75Å; E602-A604 PolarHBondContact O-N 2.87Å; E602-A605 PolarHBondContact O-N 2.68Å; E602-A605 VanDerWaalsContact O-N 3.16Å; E602-E606 HydrophobicContact CG-CG 4.28Å; E602-E606 WeakPolarHBondContact O-CB 3.17Å; E602-E606 WeakPolarHBondContact O-CG 3.33Å; E602-E606 PolarHBondContact O-N 2.76Å |
| 603 | I | 46.1 | Very low | 47.9 | Very low | 115 Ų | 115 | 113.7 Ų | 113.7 | 59% | 0.59 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -61.1 | -30.4 | 171.4 | -58.2 | 177.4 | 0 | 0 | 0 | 111.9 | R599 E601 V607 | R599-I603 VanDerWaalsContact O-CD1 3.31Å; R599-I603 WeakPolarHBondContact O-CD1 3.31Å; E601-I603 VanDerWaalsContact C-N 3.3Å; E601-I603 PolarHBondContact O-N 3.28Å; I603-V607 VanDerWaalsContact O-CG2 3.27Å; I603-V607 WeakPolarHBondContact O-CG2 3.23Å |
| 604 | A | 42.6 | Very low | 47.2 | Very low | 72 Ų | 72 | 112.5 Ų | 112.5 | 60% | 0.595 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -86.4 | -29 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | E601 E602 | E601-A604 WeakPolarHBondContact O-CA 3.06Å; E601-A604 WeakPolarHBondContact O-CB 3.37Å; E601-A604 PolarHBondContact O-N 3.24Å; E602-A604 PolarHBondContact O-N 2.87Å |
| 605 | A | 48.6 | Very low | 46.6 | Very low | 55 Ų | 55 | 115.1 Ų | 115.1 | 46% | 0.455 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -80 | -43.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | E601 E602 V607 Y608 E609 | E601-A605 PolarHBondContact O-N 3.33Å; E602-A605 PolarHBondContact O-N 2.68Å; E602-A605 VanDerWaalsContact O-N 3.16Å; A605-V607 PolarHBondContact O-N 3.35Å; A605-Y608 PolarHBondContact O-N 3.4Å; A605-Y608 VanDerWaalsContact O-N 3.12Å; A605-E609 PolarHBondContact O-N 2.88Å |
| 606 | E | 51.9 | Low | 46.3 | Very low | 134 Ų | 134 | 116.3 Ų | 116.3 | 63% | 0.626 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -61.8 | -42.5 | 177.6 | -73.1 | -170.6 | 134.7 | 0 | 0 | 111.1 | E602 Y608 E609 D610 | E602-E606 HydrophobicContact CG-CG 4.28Å; E602-E606 WeakPolarHBondContact O-CB 3.17Å; E602-E606 WeakPolarHBondContact O-CG 3.33Å; E602-E606 PolarHBondContact O-N 2.76Å; E606-Y608 PolarHBondContact O-N 3.24Å; E606-E609 PolarHBondContact O-N 3.14Å; E606-D610 WeakPolarHBondContact O-CB 3.22Å; E606-D610 PolarHBondContact O-N 3.32Å |
| 607 | V | 48.1 | Very low | 46 | Very low | 97 Ų | 97 | 114.5 Ų | 114.5 | 59% | 0.588 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.5 | -31.2 | 175.5 | 172.6 | 0 | 0 | 0 | 0 | 112.2 | I603 A605 E611 | I603-V607 VanDerWaalsContact O-CG2 3.27Å; I603-V607 WeakPolarHBondContact O-CG2 3.23Å; A605-V607 PolarHBondContact O-N 3.35Å; V607-E611 PolarHBondContact O-N 3.43Å |
| 608 | Y | 45.6 | Very low | 45.9 | Very low | 169 Ų | 169 | 111.1 Ų | 111.1 | 66% | 0.663 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -82.9 | -37.5 | -179.8 | -167.2 | -97.2 | 0 | 0 | 0 | 113.2 | A605 E606 L612 | A605-Y608 PolarHBondContact O-N 3.4Å; A605-Y608 VanDerWaalsContact O-N 3.12Å; E606-Y608 PolarHBondContact O-N 3.24Å; Y608-L612 HydrophobicContact CD1-CD1 3.93Å; Y608-L612 HydrophobicContact CE1-CD1 3.69Å; Y608-L612 WeakPolarHBondContact O-CG 3.43Å; Y608-L612 PolarHBondContact O-N 3.01Å |
| 609 | E | 49 | Very low | 46.1 | Very low | 107 Ų | 107 | 114.1 Ų | 114.1 | 50% | 0.5 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -75.6 | -35.1 | 173.8 | -74.1 | -71.8 | -179.6 | 0 | 0 | 112.2 | A605 E606 L612 D613 R616 | A605-E609 PolarHBondContact O-N 2.88Å; E606-E609 PolarHBondContact O-N 3.14Å; E609-L612 CarbonylContact O-C 3.6Å; E609-L612 WeakPolarHBondContact O-CA 3.1Å; E609-L612 WeakPolarHBondContact O-CB 3.31Å; E609-L612 PolarHBondContact O-N 3.05Å; E609-L612 VanDerWaalsContact O-N 3.11Å; E609-D613 PolarHBondContact O-N 2.86Å; E609-R616 IonicContact OE2-NH1 2.78Å |
| 610 | D | 44.5 | Very low | 46.3 | Very low | 105 Ų | 105 | 113.7 Ų | 113.7 | 56% | 0.561 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -68.4 | -37.7 | 178.6 | -162.8 | 44 | 0 | 0 | 0 | 111.6 | E606 L612 D613 L614 | E606-D610 WeakPolarHBondContact O-CB 3.22Å; E606-D610 PolarHBondContact O-N 3.32Å; D610-L612 VanDerWaalsContact C-N 3.27Å; D610-L612 PolarHBondContact O-N 2.91Å; D610-D613 PolarHBondContact O-N 3.23Å; D610-L614 VanDerWaalsContact O-CB 3.28Å; D610-L614 WeakPolarHBondContact O-CB 3.27Å; D610-L614 PolarHBondContact O-N 2.93Å |
| 611 | E | 48.8 | Very low | 46.3 | Very low | 130 Ų | 130 | 108 Ų | 108 | 61% | 0.607 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -69.4 | -24 | 170.9 | -169 | 169.7 | 173.7 | 0 | 0 | 112.7 | V607 R615 | V607-E611 PolarHBondContact O-N 3.43Å; E611-R615 PolarHBondContact O-N 3.05Å |
| 612 | L | 47.9 | Very low | 46.1 | Very low | 48 Ų | 48 | 108.7 Ų | 108.7 | 25% | 0.251 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -79.1 | -38.4 | 171.9 | -86.2 | 167.8 | 0 | 0 | 0 | 113 | Y608 E609 D610 R615 R616 | Y608-L612 HydrophobicContact CD1-CD1 3.93Å; Y608-L612 HydrophobicContact CE1-CD1 3.69Å; Y608-L612 WeakPolarHBondContact O-CG 3.43Å; Y608-L612 PolarHBondContact O-N 3.01Å; E609-L612 CarbonylContact O-C 3.6Å; E609-L612 WeakPolarHBondContact O-CA 3.1Å; E609-L612 WeakPolarHBondContact O-CB 3.31Å; E609-L612 PolarHBondContact O-N 3.05Å; E609-L612 VanDerWaalsContact O-N 3.11Å; D610-L612 VanDerWaalsContact C-N 3.27Å; D610-L612 PolarHBondContact O-N 2.91Å; L612-R615 CarbonylContact O-C 3.58Å; L612-R615 VanDerWaalsContact O-CB 3.31Å; L612-R615 WeakPolarHBondContact O-CB 3.29Å; L612-R615 PolarHBondContact O-N 2.98Å; L612-R616 WeakPolarHBondContact O-CG 3.28Å; L612-R616 PolarHBondContact O-N 2.67Å; L612-R616 VanDerWaalsContact O-N 3.1Å |
| 613 | D | 45.8 | Very low | 45.9 | Very low | 86 Ų | 86 | 112 Ų | 112 | 46% | 0.46 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -83.5 | -25 | 179.5 | -92.5 | 6 | 0 | 0 | 0 | 112.9 | E609 D610 R615 R616 S617 | E609-D613 PolarHBondContact O-N 2.86Å; D610-D613 PolarHBondContact O-N 3.23Å; D613-R615 PolarHBondContact O-N 2.82Å; D613-R616 PolarHBondContact O-N 2.94Å; D613-R616 VanDerWaalsContact O-N 3.16Å; D613-R616 WeakPolarHBondContact OD1-CD 3.45Å; D613-R616 IonicContact OD1-CZ 3.1Å; D613-R616 IonicContact OD1-NE 2.74Å; D613-R616 IonicContact OD1-NH1 2.75Å; D613-R616 PolarHBondContact OD1-NH1 3.05Å; D613-S617 WeakPolarHBondContact O-CB 3.48Å; D613-S617 PolarHBondContact O-N 3.05Å; D613-S617 PolarHBondContact O-OG 2.82Å |
| 614 | L | 50 | Low | 45.8 | Very low | 111 Ų | 111 | 110.5 Ų | 110.5 | 58% | 0.581 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -60 | -35.2 | 159.4 | -89 | 157.8 | 0 | 0 | 0 | 111.7 | D610 S617 | D610-L614 VanDerWaalsContact O-CB 3.28Å; D610-L614 WeakPolarHBondContact O-CB 3.27Å; D610-L614 PolarHBondContact O-N 2.93Å; L614-S617 PolarHBondContact O-OG 3.25Å |
| 615 | R | 44 | Very low | 45.4 | Very low | 194 Ų | 194 | 113.3 Ų | 113.3 | 73% | 0.732 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -73.6 | -22.8 | 173.2 | -93.1 | -179.8 | 168.8 | 177.1 | 1.8 | 114.1 | E611 L612 D613 | E611-R615 PolarHBondContact O-N 3.05Å; L612-R615 CarbonylContact O-C 3.58Å; L612-R615 VanDerWaalsContact O-CB 3.31Å; L612-R615 WeakPolarHBondContact O-CB 3.29Å; L612-R615 PolarHBondContact O-N 2.98Å; D613-R615 PolarHBondContact O-N 2.82Å |
| 616 | R | 46.3 | Very low | 45 | Very low | 117 Ų | 117 | 117 Ų | 117 | 44% | 0.442 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -93.7 | -35.4 | 176.8 | -66.1 | 179.1 | -164.4 | 115 | 0.5 | 112.9 | E609 L612 D613 A618 S619 Y620 | E609-R616 IonicContact OE2-NH1 2.78Å; L612-R616 WeakPolarHBondContact O-CG 3.28Å; L612-R616 PolarHBondContact O-N 2.67Å; L612-R616 VanDerWaalsContact O-N 3.1Å; D613-R616 PolarHBondContact O-N 2.94Å; D613-R616 VanDerWaalsContact O-N 3.16Å; D613-R616 WeakPolarHBondContact OD1-CD 3.45Å; D613-R616 IonicContact OD1-CZ 3.1Å; D613-R616 IonicContact OD1-NE 2.74Å; D613-R616 IonicContact OD1-NH1 2.75Å; D613-R616 PolarHBondContact OD1-NH1 3.05Å; R616-A618 VanDerWaalsContact C-N 3.25Å; R616-A618 PolarHBondContact O-N 2.88Å; R616-S619 PolarHBondContact O-N 3.08Å; R616-S619 VanDerWaalsContact O-N 3.15Å; R616-S619 PolarHBondContact O-OG 3.15Å; R616-Y620 WeakPolarHBondContact O-CD2 3.4Å |
| 617 | S | 42.8 | Very low | 44.7 | Very low | 52 Ų | 52 | 115.8 Ų | 115.8 | 36% | 0.364 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -62.4 | -36.2 | 178 | 66.7 | 0 | 0 | 0 | 0 | 111.5 | D613 L614 S619 Y620 L621 | D613-S617 WeakPolarHBondContact O-CB 3.48Å; D613-S617 PolarHBondContact O-N 3.05Å; D613-S617 PolarHBondContact O-OG 2.82Å; L614-S617 PolarHBondContact O-OG 3.25Å; S617-S619 PolarHBondContact O-N 3.01Å; S617-S619 VanDerWaalsContact O-N 3.12Å; S617-Y620 PolarHBondContact O-N 3.09Å; S617-L621 PolarHBondContact O-N 2.78Å |
| 618 | A | 42.1 | Very low | 44.5 | Very low | 77 Ų | 77 | 114.6 Ų | 114.6 | 64% | 0.636 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.1 | -24.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | R616 | R616-A618 VanDerWaalsContact C-N 3.25Å; R616-A618 PolarHBondContact O-N 2.88Å |
| 619 | S | 48.3 | Very low | 44 | Very low | 81 Ų | 81 | 117.1 Ų | 117.1 | 57% | 0.566 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | -7.4 | 177.1 | 67.1 | 0 | 0 | 0 | 0 | 114.6 | R616 S617 | R616-S619 PolarHBondContact O-N 3.08Å; R616-S619 VanDerWaalsContact O-N 3.15Å; R616-S619 PolarHBondContact O-OG 3.15Å; S617-S619 PolarHBondContact O-N 3.01Å; S617-S619 VanDerWaalsContact O-N 3.12Å |
| 620 | Y | 46.1 | Very low | 43.5 | Very low | 186 Ų | 186 | 117.5 Ų | 117.5 | 73% | 0.729 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.9 | -11.4 | -178.7 | -76.3 | -67 | 0 | 0 | 0 | 115.1 | R616 S617 | R616-Y620 WeakPolarHBondContact O-CD2 3.4Å; S617-Y620 PolarHBondContact O-N 3.09Å |
| 621 | L | 42.1 | Very low | 43.1 | Very low | 102 Ų | 102 | 121.1 Ų | 121.1 | 53% | 0.534 | 64% | 0.642 | S | S | . | * | S | Bend | trans | -81.9 | -9 | -180 | -70.9 | 176.4 | 0 | 0 | 0 | 114.9 | S617 N623 F625 | S617-L621 PolarHBondContact O-N 2.78Å; L621-N623 PolarHBondContact O-N 3.37Å; L621-F625 HydrophobicContact CD2-CD2 4.43Å; L621-F625 HydrophobicContact CD2-CE2 4.06Å |
| 622 | N | 41 | Very low | 42.5 | Very low | 149 Ų | 149 | 125.9 Ų | 125.9 | 80% | 0.797 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | 27.3 | -169.7 | -156 | 31.5 | 0 | 0 | 0 | 115.2 | ||
| 623 | N | 42.4 | Very low | 42.5 | Very low | 165 Ų | 165 | 129.1 Ų | 129.1 | 88% | 0.882 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -157.6 | 14.5 | -177.7 | -113.9 | -25.5 | 0 | 0 | 0 | 116.3 | L621 | L621-N623 PolarHBondContact O-N 3.37Š|
| 624 | S | 45 | Very low | 42.5 | Very low | 84 Ų | 84 | 131.6 Ų | 131.6 | 59% | 0.587 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -146.2 | 21.2 | 178.5 | 81.1 | 0 | 0 | 0 | 0 | 117 | ||
| 625 | F | 34.1 | Very low | 42.8 | Very low | 131 Ų | 131 | 132.2 Ų | 132.2 | 58% | 0.575 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -112.1 | -8 | 176 | -95 | -82.7 | 0 | 0 | 0 | 114.9 | L621 S627 | L621-F625 HydrophobicContact CD2-CD2 4.43Å; L621-F625 HydrophobicContact CD2-CE2 4.06Å; F625-S627 PolarHBondContact O-N 3.09Å |
| 626 | C | 40.1 | Very low | 43.3 | Very low | 132 Ų | 132 | 127 Ų | 127 | 89% | 0.892 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | 6.5 | -177.9 | -58.8 | 0 | 0 | 0 | 0 | 115.3 | ||
| 627 | S | 45.4 | Very low | 44 | Very low | 108 Ų | 108 | 126.3 Ų | 126.3 | 76% | 0.755 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.3 | 3.1 | -179.9 | 55.5 | 0 | 0 | 0 | 0 | 114.6 | F625 | F625-S627 PolarHBondContact O-N 3.09Š|
| 628 | A | 43.4 | Very low | 45 | Very low | 73 Ų | 73 | 129.4 Ų | 129.4 | 60% | 0.603 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -121.9 | 2.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 629 | W | 36 | Very low | 45.8 | Very low | 222 Ų | 222 | 132.8 Ų | 132.8 | 84% | 0.841 | 71% | 0.705 | S | S | * | * | trans | -133.3 | 49.4 | -177 | -77.7 | 95.2 | 0 | 0 | 0 | 112.3 | ||||
| 630 | S | 36.5 | Very low | 46.4 | Very low | 115 Ų | 115 | 133.5 Ų | 133.5 | 80% | 0.804 | 70% | 0.699 | S | S | * | * | trans | -98.1 | 37.3 | 176.1 | 63.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 631 | E | 36.7 | Very low | 47.3 | Very low | 181 Ų | 181 | 128.5 Ų | 128.5 | 85% | 0.846 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -144.5 | 34.7 | -177.5 | -145.1 | 166.6 | -131.5 | 0 | 0 | 115.6 | ||
| 632 | R | 36.9 | Very low | 48.6 | Very low | 230 Ų | 230 | 128.4 Ų | 128.4 | 87% | 0.868 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -156 | 132.5 | 145.8 | -124.1 | 172.7 | -178.1 | 82 | -0.6 | 111.6 | M634 | R632-M634 PolarHBondContact O-N 3.42Š|
| 633 | S | 47.6 | Very low | 49.9 | Very low | 115 Ų | 115 | 125.9 Ų | 125.9 | 80% | 0.804 | 67% | 0.668 | S | S | * | * | trans | -72.8 | 110.3 | 177.9 | 51.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 634 | M | 46.4 | Very low | 51.2 | Low | 138 Ų | 138 | 123.1 Ų | 123.1 | 68% | 0.68 | 65% | 0.648 | S | S | * | * | trans | -136.4 | 128.7 | 164.6 | -64.4 | -93.2 | 55.8 | 0 | 0 | 106.4 | R632 F639 | R632-M634 PolarHBondContact O-N 3.42Å; M634-F639 HydrophobicContact CB-CE2 4.22Å | ||
| 635 | D | 54.7 | Low | 52.7 | Low | 124 Ų | 124 | 124.4 Ų | 124.4 | 66% | 0.663 | 64% | 0.643 | S | S | * | * | trans | -72 | 145.9 | -172 | -80.5 | -60.5 | 0 | 0 | 0 | 112.6 | D637 | D635-D637 PolarHBondContact O-N 2.89Š| ||
| 636 | P | 55.9 | Low | 54.3 | Low | 85 Ų | 85 | 122.8 Ų | 122.8 | 55% | 0.552 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -70.5 | -16.3 | -171 | 28.4 | -36.1 | 0 | 0 | 0 | 114.1 | Q640 | P636-Q640 PolarHBondContact O-N 3.35Å |
| 637 | D | 59.6 | Low | 55.4 | Low | 103 Ų | 103 | 123.8 Ų | 123.8 | 55% | 0.551 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -80.8 | -33.1 | -176.4 | -68.1 | -41.8 | 0 | 0 | 0 | 113.3 | D635 F639 Q640 D641 | D635-D637 PolarHBondContact O-N 2.89Å; D637-F639 VanDerWaalsContact C-N 3.28Å; D637-F639 PolarHBondContact O-N 3.12Å; D637-Q640 WeakPolarHBondContact O-CB 3.38Å; D637-Q640 PolarHBondContact O-N 2.93Å; D637-Q640 PolarHBondContact OD1-NE2 3.26Å; D637-D641 PolarHBondContact O-N 3.32Å |
| 638 | D | 64 | Low | 56.6 | Low | 116 Ų | 116 | 121 Ų | 121 | 62% | 0.62 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -59.5 | -41 | 173.9 | -91.5 | -28.8 | 0 | 0 | 0 | 111.2 | Q640 D641 E642 | D638-Q640 VanDerWaalsContact C-N 3.32Å; D638-Q640 PolarHBondContact O-N 2.69Å; D638-D641 PolarHBondContact O-N 2.94Å; D638-E642 WeakPolarHBondContact O-CB 3.45Å; D638-E642 PolarHBondContact O-N 3.03Å |
| 639 | F | 58.6 | Low | 58.1 | Low | 149 Ų | 149 | 123.8 Ų | 123.8 | 65% | 0.654 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -62.2 | -37.7 | 173.7 | -81.2 | -78.7 | 0 | 0 | 0 | 112.5 | M634 D637 L643 | M634-F639 HydrophobicContact CB-CE2 4.22Å; D637-F639 VanDerWaalsContact C-N 3.28Å; D637-F639 PolarHBondContact O-N 3.12Å; F639-L643 VanDerWaalsContact O-CB 3.25Å; F639-L643 WeakPolarHBondContact O-CB 3.38Å; F639-L643 PolarHBondContact O-N 3Å |
| 640 | Q | 61.8 | Low | 60 | Low | 95 Ų | 95 | 118.3 Ų | 118.3 | 44% | 0.444 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -68.3 | -37.9 | 176.5 | -70.4 | -173.6 | 53.2 | 0 | 0 | 112.1 | P636 D637 D638 L643 K644 | P636-Q640 PolarHBondContact O-N 3.35Å; D637-Q640 WeakPolarHBondContact O-CB 3.38Å; D637-Q640 PolarHBondContact O-N 2.93Å; D637-Q640 PolarHBondContact OD1-NE2 3.26Å; D638-Q640 VanDerWaalsContact C-N 3.32Å; D638-Q640 PolarHBondContact O-N 2.69Å; Q640-L643 PolarHBondContact O-N 3.19Å; Q640-K644 WeakPolarHBondContact O-CB 3.49Å; Q640-K644 WeakPolarHBondContact O-CG 3.38Å; Q640-K644 PolarHBondContact O-N 2.71Å |
| 641 | D | 64.4 | Low | 61.8 | Low | 82 Ų | 82 | 119.1 Ų | 119.1 | 44% | 0.439 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -79.1 | -33.4 | -178.1 | -86.5 | 21.2 | 0 | 0 | 0 | 112.9 | D637 D638 L643 K644 K645 | D637-D641 PolarHBondContact O-N 3.32Å; D638-D641 PolarHBondContact O-N 2.94Å; D641-L643 VanDerWaalsContact C-N 3.35Å; D641-K644 PolarHBondContact O-N 3.24Å; D641-K644 WeakPolarHBondContact OD1-CD 3.43Å; D641-K644 WeakPolarHBondContact OD1-CE 3.47Å; D641-K644 IonicContact OD1-NZ 2.73Å; D641-K644 PolarHBondContact OD1-NZ 2.66Å; D641-K645 VanDerWaalsContact O-CG 3.24Å; D641-K645 WeakPolarHBondContact O-CG 3.47Å; D641-K645 PolarHBondContact O-N 3.28Å |
| 642 | E | 71.3 | Confident | 63.7 | Low | 100 Ų | 100 | 115.2 Ų | 115.2 | 47% | 0.467 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -58.2 | -46.4 | 163 | -78.6 | -64.1 | 104.6 | 0 | 0 | 111.4 | D638 K644 K645 L646 | D638-E642 WeakPolarHBondContact O-CB 3.45Å; D638-E642 PolarHBondContact O-N 3.03Å; E642-K644 PolarHBondContact O-N 3.47Å; E642-K645 PolarHBondContact O-N 2.97Å; E642-K645 IonicContact OE1-NZ 2.8Å; E642-K645 PolarHBondContact OE1-NZ 2.81Å; E642-L646 WeakPolarHBondContact O-CG 3.36Å; E642-L646 PolarHBondContact O-N 2.74Å |
| 643 | L | 67.2 | Low | 65.4 | Low | 95 Ų | 95 | 109.8 Ų | 109.8 | 50% | 0.497 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.8 | -40.1 | 179.6 | -157.8 | 76.3 | 0 | 0 | 0 | 112 | F639 Q640 D641 L646 Y647 | F639-L643 VanDerWaalsContact O-CB 3.25Å; F639-L643 WeakPolarHBondContact O-CB 3.38Å; F639-L643 PolarHBondContact O-N 3Å; Q640-L643 PolarHBondContact O-N 3.19Å; D641-L643 VanDerWaalsContact C-N 3.35Å; L643-L646 PolarHBondContact O-N 3.16Å; L643-Y647 HydrophobicContact CD2-CD2 4.41Å; L643-Y647 HydrophobicContact CD1-CE2 4.34Å; L643-Y647 PolarHBondContact O-N 3.46Å; L643-Y647 WeakPolarHBondContact O-CD2 3.47Å; L643-Y647 VanDerWaalsContact O-CD2 3.28Å; L643-Y647 HydrophobicContact CG-CD2 3.93Å; L643-Y647 HydrophobicContact CG-CE2 3.76Å; L643-Y647 HydrophobicContact CD2-CE2 3.92Å |
| 644 | K | 69.7 | Low | 66.6 | Low | 108 Ų | 108 | 110.1 Ų | 110.1 | 47% | 0.47 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.5 | -43.4 | 173.7 | -72.7 | 163.3 | -152.1 | 157.1 | 0 | 111.6 | Q640 D641 E642 L646 Y647 A648 | Q640-K644 WeakPolarHBondContact O-CB 3.49Å; Q640-K644 WeakPolarHBondContact O-CG 3.38Å; Q640-K644 PolarHBondContact O-N 2.71Å; D641-K644 PolarHBondContact O-N 3.24Å; D641-K644 WeakPolarHBondContact OD1-CD 3.43Å; D641-K644 WeakPolarHBondContact OD1-CE 3.47Å; D641-K644 IonicContact OD1-NZ 2.73Å; D641-K644 PolarHBondContact OD1-NZ 2.66Å; E642-K644 PolarHBondContact O-N 3.47Å; K644-L646 PolarHBondContact O-N 3.3Å; K644-Y647 PolarHBondContact O-N 3.14Å; K644-A648 WeakPolarHBondContact O-CB 3.29Å; K644-A648 PolarHBondContact O-N 3.31Å |
| 645 | K | 75.6 | Confident | 67.5 | Low | 110 Ų | 110 | 107.4 Ų | 107.4 | 48% | 0.478 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -58.9 | -46.5 | 173.7 | -71.3 | 166.1 | -159.3 | 162.5 | 0 | 110.9 | D641 E642 A648 Q649 | D641-K645 VanDerWaalsContact O-CG 3.24Å; D641-K645 WeakPolarHBondContact O-CG 3.47Å; D641-K645 PolarHBondContact O-N 3.28Å; E642-K645 PolarHBondContact O-N 2.97Å; E642-K645 IonicContact OE1-NZ 2.8Å; E642-K645 PolarHBondContact OE1-NZ 2.81Å; K645-A648 PolarHBondContact O-N 3.22Å; K645-Q649 WeakPolarHBondContact O-CB 3.48Å; K645-Q649 VanDerWaalsContact O-CG 3.31Å; K645-Q649 WeakPolarHBondContact O-CG 3.25Å; K645-Q649 PolarHBondContact O-N 3.36Å |
| 646 | L | 69.3 | Low | 68.4 | Low | 97 Ų | 97 | 108.7 Ų | 108.7 | 51% | 0.508 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.6 | -44.1 | 178.4 | -75.2 | 167.5 | 0 | 0 | 0 | 112.1 | E642 L643 K644 Q649 L650 | E642-L646 WeakPolarHBondContact O-CG 3.36Å; E642-L646 PolarHBondContact O-N 2.74Å; L643-L646 PolarHBondContact O-N 3.16Å; K644-L646 PolarHBondContact O-N 3.3Å; L646-Q649 PolarHBondContact O-N 3.49Å; L646-L650 VanDerWaalsContact O-CB 3.24Å; L646-L650 WeakPolarHBondContact O-CB 3.13Å; L646-L650 PolarHBondContact O-N 3.36Å |
| 647 | Y | 62 | Low | 69 | Low | 153 Ų | 153 | 110.7 Ų | 110.7 | 60% | 0.6 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.3 | -42 | 175 | -86.9 | -65.8 | 0 | 0 | 0 | 112.5 | L643 K644 L650 E651 | L643-Y647 HydrophobicContact CD2-CD2 4.41Å; L643-Y647 HydrophobicContact CD1-CE2 4.34Å; L643-Y647 PolarHBondContact O-N 3.46Å; L643-Y647 WeakPolarHBondContact O-CD2 3.47Å; L643-Y647 VanDerWaalsContact O-CD2 3.28Å; L643-Y647 HydrophobicContact CG-CD2 3.93Å; L643-Y647 HydrophobicContact CG-CE2 3.76Å; L643-Y647 HydrophobicContact CD2-CE2 3.92Å; K644-Y647 PolarHBondContact O-N 3.14Å; Y647-L650 PolarHBondContact O-N 3.41Å; Y647-E651 WeakPolarHBondContact O-CB 3.4Å; Y647-E651 PolarHBondContact O-N 2.91Å |
| 648 | A | 71.2 | Confident | 69 | Low | 51 Ų | 51 | 110.6 Ų | 110.6 | 42% | 0.421 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.9 | -42.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | K644 K645 E651 V652 | K644-A648 WeakPolarHBondContact O-CB 3.29Å; K644-A648 PolarHBondContact O-N 3.31Å; K645-A648 PolarHBondContact O-N 3.22Å; A648-E651 PolarHBondContact O-N 2.67Å; A648-V652 PolarHBondContact O-N 2.9Å; A648-V652 VanDerWaalsContact O-CG2 3.31Å; A648-V652 WeakPolarHBondContact O-CB 3.44Å; A648-V652 WeakPolarHBondContact O-CG2 3.42Å |
| 649 | Q | 75 | Confident | 68.8 | Low | 130 Ų | 130 | 108.9 Ų | 108.9 | 61% | 0.607 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.2 | -40.6 | 173.5 | -73.2 | 178 | 13.8 | 0 | 0 | 112 | K645 L646 V652 H653 | K645-Q649 WeakPolarHBondContact O-CB 3.48Å; K645-Q649 VanDerWaalsContact O-CG 3.31Å; K645-Q649 WeakPolarHBondContact O-CG 3.25Å; K645-Q649 PolarHBondContact O-N 3.36Å; L646-Q649 PolarHBondContact O-N 3.49Å; Q649-V652 PolarHBondContact O-N 3.45Å; Q649-H653 VanDerWaalsContact O-CB 3.27Å; Q649-H653 WeakPolarHBondContact O-CB 3.32Å; Q649-H653 PolarHBondContact O-N 2.74Å |
| 650 | L | 76.6 | Confident | 68.9 | Low | 107 Ų | 107 | 105.5 Ų | 105.5 | 56% | 0.56 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -69.3 | -38.4 | 179.3 | -163.9 | 155.3 | 0 | 0 | 0 | 111.4 | L646 Y647 H653 K654 | L646-L650 VanDerWaalsContact O-CB 3.24Å; L646-L650 WeakPolarHBondContact O-CB 3.13Å; L646-L650 PolarHBondContact O-N 3.36Å; Y647-L650 PolarHBondContact O-N 3.41Å; L650-H653 PolarHBondContact O-N 2.75Å; L650-K654 WeakPolarHBondContact O-CB 3.33Å; L650-K654 PolarHBondContact O-N 2.97Å |
| 651 | E | 74.5 | Confident | 68.5 | Low | 132 Ų | 132 | 106.6 Ų | 106.6 | 62% | 0.617 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.3 | -48.3 | 172.3 | -177.5 | 165.5 | -141 | 0 | 0 | 111.7 | Y647 A648 H653 K654 V655 | Y647-E651 WeakPolarHBondContact O-CB 3.4Å; Y647-E651 PolarHBondContact O-N 2.91Å; A648-E651 PolarHBondContact O-N 2.67Å; E651-H653 PolarHBondContact O-N 2.8Å; E651-H653 VanDerWaalsContact C-N 3.29Å; E651-K654 WeakPolarHBondContact O-CB 3.39Å; E651-K654 PolarHBondContact O-N 3Å; E651-K654 VanDerWaalsContact O-N 3.16Å; E651-V655 HydrophobicContact CG-CG2 4.42Å; E651-V655 WeakPolarHBondContact O-CG2 3.49Å; E651-V655 PolarHBondContact O-N 3.35Å |
| 652 | V | 76.1 | Confident | 67.8 | Low | 100 Ų | 100 | 106.7 Ų | 106.7 | 61% | 0.606 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -57.9 | -42.4 | 174.5 | 168.5 | 0 | 0 | 0 | 0 | 111.1 | A648 Q649 K656 | A648-V652 PolarHBondContact O-N 2.9Å; A648-V652 VanDerWaalsContact O-CG2 3.31Å; A648-V652 WeakPolarHBondContact O-CB 3.44Å; A648-V652 WeakPolarHBondContact O-CG2 3.42Å; Q649-V652 PolarHBondContact O-N 3.45Å; V652-K656 WeakPolarHBondContact O-CB 3.33Å; V652-K656 PolarHBondContact O-N 2.66Å |
| 653 | H | 72.3 | Confident | 67.3 | Low | 115 Ų | 115 | 107.8 Ų | 107.8 | 53% | 0.532 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67.8 | -40.3 | 176.6 | -175.2 | -136.9 | 0 | 0 | 0 | 112.3 | Q649 L650 E651 K656 K657 | Q649-H653 VanDerWaalsContact O-CB 3.27Å; Q649-H653 WeakPolarHBondContact O-CB 3.32Å; Q649-H653 PolarHBondContact O-N 2.74Å; L650-H653 PolarHBondContact O-N 2.75Å; E651-H653 PolarHBondContact O-N 2.8Å; E651-H653 VanDerWaalsContact C-N 3.29Å; H653-K656 PolarHBondContact O-N 3.42Å; H653-K657 WeakPolarHBondContact O-CB 3.44Å; H653-K657 PolarHBondContact O-N 2.91Å; H653-K657 VanDerWaalsContact O-CB 3.32Å |
| 654 | K | 73 | Confident | 66.8 | Low | 123 Ų | 123 | 111.7 Ų | 111.7 | 54% | 0.535 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -61.9 | -46.3 | 175.3 | -177.7 | -179 | 178.2 | -173.3 | 0 | 111.3 | L650 E651 K657 M658 | L650-K654 WeakPolarHBondContact O-CB 3.33Å; L650-K654 PolarHBondContact O-N 2.97Å; E651-K654 WeakPolarHBondContact O-CB 3.39Å; E651-K654 PolarHBondContact O-N 3Å; E651-K654 VanDerWaalsContact O-N 3.16Å; K654-K657 PolarHBondContact O-N 2.61Å; K654-M658 HydrophobicContact CG-CE 4.14Å; K654-M658 HydrophobicContact CG-SD 4.2Å; K654-M658 WeakPolarHBondContact O-CB 3.23Å; K654-M658 VanDerWaalsContact O-CG 3.28Å; K654-M658 WeakPolarHBondContact O-CG 3.45Å; K654-M658 PolarHBondContact O-N 2.97Å |
| 655 | V | 65.8 | Low | 66.1 | Low | 80 Ų | 80 | 111.8 Ų | 111.8 | 49% | 0.485 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.2 | -43 | 174.8 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | E651 K657 M658 T659 | E651-V655 HydrophobicContact CG-CG2 4.42Å; E651-V655 WeakPolarHBondContact O-CG2 3.49Å; E651-V655 PolarHBondContact O-N 3.35Å; V655-K657 VanDerWaalsContact C-N 3.33Å; V655-K657 PolarHBondContact O-N 3.28Å; V655-M658 PolarHBondContact O-N 2.97Å; V655-T659 WeakPolarHBondContact O-CB 3.35Å; V655-T659 WeakPolarHBondContact O-CG2 3.27Å; V655-T659 PolarHBondContact O-N 3.12Å; V655-T659 PolarHBondContact O-OG1 2.61Å |
| 656 | K | 72.3 | Confident | 64.7 | Low | 151 Ų | 151 | 111.7 Ų | 111.7 | 66% | 0.657 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63.1 | -36.7 | 176.4 | -168.6 | 174.2 | -177.1 | -179.5 | 0 | 112.3 | V652 H653 T659 A660 | V652-K656 WeakPolarHBondContact O-CB 3.33Å; V652-K656 PolarHBondContact O-N 2.66Å; H653-K656 PolarHBondContact O-N 3.42Å; K656-T659 WeakPolarHBondContact CA-OG1 3.16Å; K656-T659 PolarHBondContact O-OG1 3.49Å; K656-A660 VanDerWaalsContact O-CB 3.3Å; K656-A660 WeakPolarHBondContact O-CB 3.34Å; K656-A660 PolarHBondContact O-N 2.91Å |
| 657 | K | 68 | Low | 63.9 | Low | 127 Ų | 127 | 117.1 Ų | 117.1 | 55% | 0.552 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -77.9 | -36.4 | 177.1 | -153.9 | 169.1 | -172.7 | 177.8 | 0 | 112.4 | H653 K654 V655 N661 | H653-K657 WeakPolarHBondContact O-CB 3.44Å; H653-K657 PolarHBondContact O-N 2.91Å; H653-K657 VanDerWaalsContact O-CB 3.32Å; K654-K657 PolarHBondContact O-N 2.61Å; V655-K657 VanDerWaalsContact C-N 3.33Å; V655-K657 PolarHBondContact O-N 3.28Å; K657-N661 WeakPolarHBondContact O-CB 3.15Å; K657-N661 VanDerWaalsContact O-N 3.1Å; K657-N661 PolarHBondContact O-N 2.74Å |
| 658 | M | 60.1 | Low | 62.8 | Low | 102 Ų | 102 | 119.4 Ų | 119.4 | 50% | 0.502 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -64.5 | -38.3 | 171.7 | -78 | 177 | 167.4 | 0 | 0 | 112.5 | K654 V655 N662 | K654-M658 HydrophobicContact CG-CE 4.14Å; K654-M658 HydrophobicContact CG-SD 4.2Å; K654-M658 WeakPolarHBondContact O-CB 3.23Å; K654-M658 VanDerWaalsContact O-CG 3.28Å; K654-M658 WeakPolarHBondContact O-CG 3.45Å; K654-M658 PolarHBondContact O-N 2.97Å; V655-M658 PolarHBondContact O-N 2.97Å; M658-N662 WeakPolarHBondContact O-CB 3.42Å; M658-N662 PolarHBondContact O-N 2.74Å; M658-N662 PolarHBondContact O-ND2 3.09Å |
| 659 | T | 60.1 | Low | 61.4 | Low | 80 Ų | 80 | 128.4 Ų | 128.4 | 49% | 0.491 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -79.8 | -27.4 | 177.9 | 48.7 | 0 | 0 | 0 | 0 | 113.4 | V655 K656 L665 | V655-T659 WeakPolarHBondContact O-CB 3.35Å; V655-T659 WeakPolarHBondContact O-CG2 3.27Å; V655-T659 PolarHBondContact O-N 3.12Å; V655-T659 PolarHBondContact O-OG1 2.61Å; K656-T659 WeakPolarHBondContact CA-OG1 3.16Å; K656-T659 PolarHBondContact O-OG1 3.49Å; T659-L665 HydrophobicContact CG2-CD1 4.41Å |
| 660 | A | 60.8 | Low | 59.5 | Low | 78 Ų | 78 | 127.8 Ų | 127.8 | 65% | 0.645 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -70.4 | -36.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | K656 | K656-A660 VanDerWaalsContact O-CB 3.3Å; K656-A660 WeakPolarHBondContact O-CB 3.34Å; K656-A660 PolarHBondContact O-N 2.91Å |
| 661 | N | 53.3 | Low | 57.6 | Low | 117 Ų | 117 | 127.4 Ų | 127.4 | 63% | 0.626 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -92.8 | 5.1 | -173.9 | -70.8 | 17.7 | 0 | 0 | 0 | 114.7 | K657 | K657-N661 WeakPolarHBondContact O-CB 3.15Å; K657-N661 VanDerWaalsContact O-N 3.1Å; K657-N661 PolarHBondContact O-N 2.74Å |
| 662 | N | 50.4 | Low | 56 | Low | 84 Ų | 84 | 132.6 Ų | 132.6 | 45% | 0.449 | 67% | 0.674 | S | S | . | * | trans | -131.7 | 94.8 | -179 | -74.8 | -78.6 | 0 | 0 | 0 | 112.1 | M658 H664 L665 | M658-N662 WeakPolarHBondContact O-CB 3.42Å; M658-N662 PolarHBondContact O-N 2.74Å; M658-N662 PolarHBondContact O-ND2 3.09Å; N662-H664 PolarHBondContact O-N 2.75Å; N662-L665 HydrophobicContact CB-CD1 3.97Å; N662-L665 HydrophobicContact CB-CG 4.18Å; N662-L665 PolarHBondContact O-N 3.21Å | ||
| 663 | P | 60.7 | Low | 54.2 | Low | 123 Ų | 123 | 134 Ų | 134 | 80% | 0.799 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.1 | -17.6 | -178.9 | -27 | 36.2 | 0 | 0 | 0 | 115.8 | ||
| 664 | H | 56.6 | Low | 52.2 | Low | 178 Ų | 178 | 133.4 Ų | 133.4 | 82% | 0.824 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | -2.6 | -175.8 | -60.6 | -74.5 | 0 | 0 | 0 | 114.7 | N662 S666 | N662-H664 PolarHBondContact O-N 2.75Å; H664-S666 PolarHBondContact O-N 3.25Å; H664-S666 VanDerWaalsContact C-N 3.31Å |
| 665 | L | 55.2 | Low | 50.6 | Low | 110 Ų | 110 | 135.8 Ų | 135.8 | 58% | 0.576 | 72% | 0.719 | S | S | * | * | trans | -79.1 | 78.3 | 173.4 | -78 | 175 | 0 | 0 | 0 | 111.2 | T659 N662 | T659-L665 HydrophobicContact CG2-CD1 4.41Å; N662-L665 HydrophobicContact CB-CD1 3.97Å; N662-L665 HydrophobicContact CB-CG 4.18Å; N662-L665 PolarHBondContact O-N 3.21Å | ||
| 666 | S | 46.4 | Very low | 49 | Very low | 108 Ų | 108 | 135.4 Ų | 135.4 | 76% | 0.755 | 73% | 0.732 | S | S | * | * | trans | -60.7 | 137.3 | 172.6 | 62.9 | 0 | 0 | 0 | 0 | 111.2 | H664 K668 | H664-S666 PolarHBondContact O-N 3.25Å; H664-S666 VanDerWaalsContact C-N 3.31Å; S666-K668 PolarHBondContact O-N 3.47Å | ||
| 667 | K | 50.6 | Low | 47.2 | Very low | 211 Ų | 211 | 140.6 Ų | 140.6 | 92% | 0.917 | 75% | 0.747 | S | S | * | * | trans | -67.7 | 86.5 | -175.4 | -72.6 | 179.3 | 177.7 | 173.3 | 0 | 111.7 | R669 | K667-R669 PolarHBondContact O-N 3.35Š| ||
| 668 | K | 39.4 | Very low | 45.9 | Very low | 201 Ų | 201 | 139.3 Ų | 139.3 | 87% | 0.874 | 75% | 0.754 | S | S | * | * | trans | -72.3 | 97.2 | 173.7 | -157.7 | 170.8 | -171.6 | 177.1 | 0 | 110.2 | S666 S670 | S666-K668 PolarHBondContact O-N 3.47Å; K668-S670 PolarHBondContact O-N 2.77Å | ||
| 669 | R | 42 | Very low | 44.8 | Very low | 239 Ų | 239 | 141.9 Ų | 141.9 | 90% | 0.902 | 77% | 0.769 | S | S | * | * | trans | -65.7 | 83.2 | -177.9 | -173.7 | -173.9 | -169.1 | 176.7 | 3.4 | 111.8 | K667 S671 | K667-R669 PolarHBondContact O-N 3.35Å; R669-S671 PolarHBondContact O-N 3.14Å | ||
| 670 | S | 35.8 | Very low | 43.9 | Very low | 118 Ų | 118 | 146.2 Ų | 146.2 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | -71.7 | 116.5 | 166.3 | 43.9 | 0 | 0 | 0 | 0 | 110 | K668 | K668-S670 PolarHBondContact O-N 2.77Š| ||
| 671 | S | 37 | Very low | 42.6 | Very low | 99 Ų | 99 | 151.7 Ų | 151.7 | 69% | 0.692 | 80% | 0.797 | S | S | * | * | trans | -87.3 | 166.4 | 173.1 | 54.2 | 0 | 0 | 0 | 0 | 111.1 | R669 | R669-S671 PolarHBondContact O-N 3.14Š| ||
| 672 | R | 39.6 | Very low | 41.8 | Very low | 241 Ų | 241 | 155.4 Ų | 155.4 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | trans | 85 | 77.4 | 178.3 | -49.4 | 177.7 | -175 | -165.4 | 1.1 | 116.8 | ||||
| 673 | C | 38 | Very low | 41.2 | Very low | 130 Ų | 130 | 159.2 Ų | 159.2 | 88% | 0.878 | 83% | 0.826 | S | S | * | * | -152.9 | 120.1 | 100.3 | -157.3 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 674 | A | 31.6 | Very low | 39.7 | Very low | 102 Ų | 102 | 158.1 Ų | 158.1 | 84% | 0.843 | 83% | 0.827 | S | S | * | * | trans | -129.8 | 76.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 675 | L | 38.4 | Very low | 38.4 | Very low | 172 Ų | 172 | 157.8 Ų | 157.8 | 90% | 0.901 | 83% | 0.826 | S | S | * | * | trans | -136.6 | 147.7 | 167.4 | -127.1 | 84.1 | 0 | 0 | 0 | 107.5 | ||||
| 676 | G | 33.5 | Very low | 37.1 | Very low | 73 Ų | 73 | 161.7 Ų | 161.7 | 75% | 0.753 | 84% | 0.839 | S | S | * | * | trans | 107.5 | 20.1 | 179 | 0 | 0 | 0 | 0 | 0 | 117 | S678 | G676-S678 VanDerWaalsContact C-N 3.25Å; G676-S678 PolarHBondContact O-N 3.24Å | ||
| 677 | R | 34 | Very low | 36.9 | Very low | 260 Ų | 260 | 162.4 Ų | 162.4 | 98% | 0.981 | 84% | 0.841 | S | S | * | * | trans | -74 | 80 | 159.4 | -83.9 | -165.4 | 179 | -164.3 | 2.2 | 110.3 | ||||
| 678 | S | 40.6 | Very low | 35.9 | Very low | 100 Ų | 100 | 160.5 Ų | 160.5 | 70% | 0.699 | 84% | 0.835 | S | S | * | * | trans | -161 | 158.2 | 162.3 | -167.1 | 0 | 0 | 0 | 0 | 109.6 | G676 | G676-S678 VanDerWaalsContact C-N 3.25Å; G676-S678 PolarHBondContact O-N 3.24Å | ||
| 679 | L | 36.2 | Very low | 35.4 | Very low | 155 Ų | 155 | 157 Ų | 157 | 81% | 0.812 | 83% | 0.831 | S | S | * | * | trans | 74.2 | 39.6 | 179.2 | -54 | 173.5 | 0 | 0 | 0 | 117.7 | ||||
| 680 | I | 41.2 | Very low | 34.8 | Very low | 171 Ų | 171 | 151.9 Ų | 151.9 | 88% | 0.877 | 83% | 0.826 | S | S | * | * | trans | -114 | 78.1 | 149.2 | -59.9 | -179.3 | 0 | 0 | 0 | 108.8 | ||||
| 681 | K | 35.1 | Very low | 34.4 | Very low | 193 Ų | 193 | 151 Ų | 151 | 84% | 0.839 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -178.6 | 133.1 | 158.6 | -110.7 | -179.4 | 177.2 | -174.7 | 0 | 108.1 | ||
| 682 | K | 35.6 | Very low | 33.9 | Very low | 196 Ų | 196 | 156.6 Ų | 156.6 | 85% | 0.852 | 83% | 0.826 | S | S | * | * | S | Bend | trans | 66.9 | 131.3 | -155.9 | -52.5 | -179 | 177.9 | -176.4 | 0 | 111.1 | ||
| 683 | I | 37 | Very low | 33.3 | Very low | 163 Ų | 163 | 152.5 Ų | 152.5 | 84% | 0.836 | 82% | 0.817 | S | S | * | * | cis | -126.6 | 127.4 | -4.6 | -62.4 | 85.8 | 0 | 0 | 0 | 107.5 | ||||
| 684 | A | 29.9 | Very low | 32.8 | Very low | 100 Ų | 100 | 151.2 Ų | 151.2 | 83% | 0.826 | 81% | 0.808 | S | S | * | * | trans | -163.6 | 52.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 685 | E | 29.5 | Very low | 32.5 | Very low | 171 Ų | 171 | 151.6 Ų | 151.6 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | trans | -128.1 | 127.1 | 166.4 | -77.3 | 178.5 | 118 | 0 | 0 | 109 | ||||
| 686 | F | 28 | Very low | 32.1 | Very low | 192 Ų | 192 | 153.1 Ų | 153.1 | 84% | 0.842 | 80% | 0.799 | S | S | * | * | trans | 11.7 | 165.5 | 149.2 | -56.5 | -74 | 0 | 0 | 0 | 122.5 | ||||
| 687 | P | 42 | Very low | 32 | Very low | 123 Ų | 123 | 158 Ų | 158 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | cis | -130.8 | -156.2 | -4.5 | 28.4 | -3.4 | 0 | 0 | 0 | 113.4 | ||||
| 688 | E | 29.1 | Very low | 31.8 | Very low | 171 Ų | 171 | 152.8 Ų | 152.8 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | trans | -81.9 | -179.8 | -179.6 | -53.7 | 168.2 | 110.7 | 0 | 0 | 115.5 | ||||
| 689 | T | 28.3 | Very low | 31.2 | Very low | 128 Ų | 128 | 158.5 Ų | 158.5 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | trans | 101.5 | 165 | 151.5 | 76.3 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 690 | V | 30 | Very low | 30.8 | Very low | 131 Ų | 131 | 157.4 Ų | 157.4 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | trans | 86 | 90.6 | 172.9 | -164 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 691 | S | 26.9 | Very low | 30 | Very low | 101 Ų | 101 | 153.3 Ų | 153.3 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | trans | -48.5 | 164.1 | 157.9 | 55.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 692 | R | 28.2 | Very low | 29.7 | Very low | 216 Ų | 216 | 149 Ų | 149 | 82% | 0.815 | 78% | 0.784 | S | S | * | * | -178.2 | 153.1 | 117.6 | -104.7 | -178.7 | 170.7 | 164.9 | -2.1 | 116.5 | |||||
| 693 | Q | 26.5 | Very low | 29.2 | Very low | 155 Ų | 155 | 148 Ų | 148 | 72% | 0.724 | 78% | 0.78 | S | S | * | * | trans | 55.6 | 156.9 | 164.9 | -95.8 | 78.3 | -11.8 | 0 | 0 | 118.2 | ||||
| 694 | C | 26.8 | Very low | 28.7 | Very low | 103 Ų | 103 | 150.2 Ų | 150.2 | 70% | 0.696 | 78% | 0.778 | S | S | * | * | cis | -148.5 | 128.1 | -3.1 | -126.1 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 695 | S | 26.7 | Very low | 28.5 | Very low | 110 Ų | 110 | 153 Ų | 153 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | 99.5 | 125 | 77.3 | 70.1 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 696 | R | 30.2 | Very low | 28.3 | Very low | 203 Ų | 203 | 154.7 Ų | 154.7 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | trans | -138.5 | 131.2 | 160.4 | 165.5 | -172.4 | 163.5 | 161.5 | -1.5 | 108.2 | E698 | R696-E698 IonicContact CZ-OE1 3.21Å; R696-E698 IonicContact NE-OE1 3.86Å; R696-E698 IonicContact NH2-OE1 2.77Å; R696-E698 PolarHBondContact NH2-OE1 2.67Å | ||
| 697 | E | 30 | Very low | 28.2 | Very low | 175 Ų | 175 | 155.9 Ų | 155.9 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -175 | 128.2 | 144.6 | -99 | 145.3 | -159.5 | 0 | 0 | 105.6 | ||||
| 698 | E | 29.1 | Very low | 27.5 | Very low | 152 Ų | 152 | 153.6 Ų | 153.6 | 71% | 0.71 | 77% | 0.774 | S | S | * | * | 63.4 | 134.2 | 77.3 | -96 | 169.4 | -113.5 | 0 | 0 | 114.1 | R696 | R696-E698 IonicContact CZ-OE1 3.21Å; R696-E698 IonicContact NE-OE1 3.86Å; R696-E698 IonicContact NH2-OE1 2.77Å; R696-E698 PolarHBondContact NH2-OE1 2.67Å | |||
| 699 | R | 28 | Very low | 27.4 | Very low | 219 Ų | 219 | 150.4 Ų | 150.4 | 83% | 0.826 | 77% | 0.77 | S | S | * | * | trans | -150.3 | 127.2 | -174.2 | -156.1 | -170 | 165 | 160.4 | 3.8 | 114.1 | ||||
| 700 | D | 27.8 | Very low | 27.5 | Very low | 133 Ų | 133 | 152.1 Ų | 152.1 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | trans | 51.2 | 131.4 | 155.8 | -58.9 | -14.4 | 0 | 0 | 0 | 121.3 | ||||
| 701 | G | 25.1 | Very low | 27.5 | Very low | 84 Ų | 84 | 150.2 Ų | 150.2 | 87% | 0.866 | 76% | 0.762 | S | S | * | * | trans | -175.2 | 79 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 702 | S | 27.9 | Very low | 27.6 | Very low | 103 Ų | 103 | 151.7 Ų | 151.7 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | trans | -111.7 | 143 | -167.6 | 76.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 703 | F | 26.6 | Very low | 27.8 | Very low | 175 Ų | 175 | 144.8 Ų | 144.8 | 77% | 0.768 | 75% | 0.747 | S | S | * | * | trans | 54.3 | 103 | 160 | -65.8 | -70.7 | 0 | 0 | 0 | 122.3 | ||||
| 704 | R | 25.1 | Very low | 28 | Very low | 210 Ų | 210 | 145.2 Ų | 145.2 | 79% | 0.792 | 75% | 0.746 | S | S | * | * | 65.1 | 138.2 | 121.1 | -73.5 | -175.6 | -179.6 | -165.2 | 0.4 | 122.4 | |||||
| 705 | I | 27.6 | Very low | 28.2 | Very low | 159 Ų | 159 | 149.8 Ų | 149.8 | 82% | 0.815 | 75% | 0.749 | S | S | * | * | trans | 78 | 144 | 153.5 | -65.7 | 157.1 | 0 | 0 | 0 | 116.6 | ||||
| 706 | R | 25.2 | Very low | 28.3 | Very low | 205 Ų | 205 | 152.7 Ų | 152.7 | 77% | 0.774 | 75% | 0.752 | S | S | * | * | cis | 173.6 | 125.9 | -43.8 | 171.3 | -165.1 | -174.9 | -173.4 | 5.7 | 109.1 | ||||
| 707 | R | 25.7 | Very low | 28.1 | Very low | 217 Ų | 217 | 146.8 Ų | 146.8 | 82% | 0.819 | 75% | 0.747 | S | S | * | * | trans | 125.2 | 127.1 | 143.9 | -165.9 | -175.8 | -65.1 | -140 | 4.6 | 117.4 | ||||
| 708 | G | 26.8 | Very low | 29.4 | Very low | 76 Ų | 76 | 143.2 Ų | 143.2 | 78% | 0.784 | 74% | 0.739 | S | S | * | * | trans | 94.5 | 141.2 | 156.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 709 | S | 27.6 | Very low | 29.4 | Very low | 103 Ų | 103 | 142.6 Ų | 142.6 | 72% | 0.72 | 74% | 0.741 | S | S | * | * | cis | -159.1 | 167 | -8.1 | -159.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 710 | H | 29.8 | Very low | 29.5 | Very low | 165 Ų | 165 | 136.8 Ų | 136.8 | 76% | 0.764 | 73% | 0.734 | S | S | * | * | trans | 64 | 118.1 | 174.2 | -69 | -74.5 | 0 | 0 | 0 | 117 | ||||
| 711 | S | 30.8 | Very low | 29.7 | Very low | 91 Ų | 91 | 136 Ų | 136 | 64% | 0.636 | 73% | 0.734 | S | S | * | * | 86.5 | 136.9 | 58.5 | 85.5 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 712 | D | 27.8 | Very low | 29.9 | Very low | 131 Ų | 131 | 136.2 Ų | 136.2 | 70% | 0.701 | 72% | 0.722 | S | S | * | * | cis | -135 | 150.2 | 14.9 | -101.5 | -75.8 | 0 | 0 | 0 | 111.2 | ||||
| 713 | S | 33.2 | Very low | 30 | Very low | 72 Ų | 72 | 138 Ų | 138 | 50% | 0.503 | 72% | 0.722 | S | S | . | * | 56.3 | 137.7 | 82.5 | 98.6 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 714 | F | 30.7 | Very low | 30.1 | Very low | 163 Ų | 163 | 134.1 Ų | 134.1 | 72% | 0.715 | 72% | 0.716 | S | S | * | * | cis | -149.9 | 174.4 | 16.1 | -78.9 | -61 | 0 | 0 | 0 | 109.9 | ||||
| 715 | R | 30.7 | Very low | 30.3 | Very low | 200 Ų | 200 | 133.4 Ų | 133.4 | 76% | 0.755 | 72% | 0.715 | S | S | * | * | cis | -157.5 | 148.5 | -4.9 | -125.8 | 160.5 | -163 | -162.2 | 2.3 | 112.1 | ||||
| 716 | M | 28 | Very low | 30.3 | Very low | 170 Ų | 170 | 135.5 Ų | 135.5 | 84% | 0.837 | 71% | 0.713 | S | S | * | * | trans | 43.5 | 113.9 | 142 | -72.1 | -67.2 | 158.6 | 0 | 0 | 122.4 | ||||
| 717 | A | 26.8 | Very low | 30.4 | Very low | 79 Ų | 79 | 130.3 Ų | 130.3 | 65% | 0.653 | 71% | 0.708 | S | S | * | * | trans | -89.3 | -144.6 | 130.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 718 | P | 56.2 | Low | 30.4 | Very low | 101 Ų | 101 | 124.7 Ų | 124.7 | 66% | 0.656 | 70% | 0.702 | S | S | * | * | cis | -114.9 | -136.6 | -26.3 | 15.5 | 12.3 | 0 | 0 | 0 | 108.8 | ||||
| 719 | D | 29.3 | Very low | 30.6 | Very low | 138 Ų | 138 | 128.4 Ų | 128.4 | 74% | 0.738 | 70% | 0.702 | S | S | * | * | cis | -171.3 | 172.2 | 25.6 | -104.8 | -36 | 0 | 0 | 0 | 106.4 | ||||
| 720 | S | 31.5 | Very low | 30.6 | Very low | 98 Ų | 98 | 132.7 Ų | 132.7 | 69% | 0.685 | 71% | 0.708 | S | S | * | * | cis | -173.3 | -177.8 | -16.3 | 62.3 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 721 | V | 32.3 | Very low | 30.4 | Very low | 117 Ų | 117 | 128.8 Ų | 128.8 | 71% | 0.709 | 70% | 0.699 | S | S | * | * | cis | -153.2 | 147.4 | 1.2 | 87.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 722 | S | 27.7 | Very low | 30.1 | Very low | 87 Ų | 87 | 132.7 Ų | 132.7 | 61% | 0.608 | 71% | 0.706 | S | S | * | * | trans | 17.2 | 156.5 | 142.7 | 72.7 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 723 | I | 31.6 | Very low | 30 | Very low | 142 Ų | 142 | 131.3 Ų | 131.3 | 73% | 0.728 | 71% | 0.707 | S | S | * | * | -166.1 | 125.9 | 66.7 | -97.5 | 136.7 | 0 | 0 | 0 | 108.3 | |||||
| 724 | S | 27.5 | Very low | 29.7 | Very low | 93 Ų | 93 | 132.5 Ų | 132.5 | 65% | 0.65 | 72% | 0.716 | S | S | * | * | 63.2 | 146.7 | 98.7 | 118.1 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 725 | Y | 29.2 | Very low | 29.4 | Very low | 194 Ų | 194 | 133 Ų | 133 | 76% | 0.761 | 72% | 0.718 | S | S | * | * | cis | -163.7 | 150.6 | 9.9 | -128.7 | -50.7 | 0 | 0 | 0 | 112.8 | ||||
| 726 | R | 28.1 | Very low | 29.4 | Very low | 204 Ų | 204 | 130.1 Ų | 130.1 | 77% | 0.77 | 72% | 0.716 | S | S | * | * | trans | 56.9 | 123.7 | 140.1 | -109.4 | -175.7 | 177 | 157.8 | -0.6 | 125.1 | ||||
| 727 | S | 27.8 | Very low | 29.3 | Very low | 96 Ų | 96 | 126.7 Ų | 126.7 | 67% | 0.671 | 71% | 0.707 | S | S | * | * | 50.8 | 156.2 | 123.1 | 65.7 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 728 | S | 25.7 | Very low | 29.3 | Very low | 99 Ų | 99 | 131.8 Ų | 131.8 | 69% | 0.692 | 72% | 0.715 | S | S | * | * | cis | -178.6 | -168.7 | -20.4 | 60.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 729 | I | 30.5 | Very low | 27.8 | Very low | 153 Ų | 153 | 132.3 Ų | 132.3 | 79% | 0.785 | 72% | 0.721 | S | S | * | * | trans | 80.3 | 115.5 | 173.5 | -56.3 | 168.8 | 0 | 0 | 0 | 113.3 | ||||
| 730 | K | 27.1 | Very low | 27.8 | Very low | 194 Ų | 194 | 133.5 Ų | 133.5 | 84% | 0.843 | 72% | 0.722 | S | S | * | * | 68.5 | 143.2 | 68.5 | -85.3 | -169.4 | 175.4 | -175.2 | 0 | 114.4 | |||||
| 731 | S | 25.3 | Very low | 27.6 | Very low | 82 Ų | 82 | 134.9 Ų | 134.9 | 57% | 0.573 | 72% | 0.722 | S | S | * | * | cis | -179 | 164.1 | -16.6 | 44.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 732 | H | 25.9 | Very low | 27.4 | Very low | 173 Ų | 173 | 134.5 Ų | 134.5 | 80% | 0.801 | 72% | 0.716 | S | S | * | * | trans | 73.8 | 126.5 | 171.1 | -65.4 | -72.8 | 0 | 0 | 0 | 116.4 | ||||
| 733 | S | 25.6 | Very low | 27.4 | Very low | 102 Ų | 102 | 137.4 Ų | 137.4 | 71% | 0.713 | 72% | 0.719 | S | S | * | * | cis | 84.9 | 134.1 | 45.2 | 79.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 734 | S | 26.5 | Very low | 27.1 | Very low | 98 Ų | 98 | 137.6 Ų | 137.6 | 69% | 0.685 | 72% | 0.717 | S | S | * | * | cis | -154.4 | -153.6 | 15.1 | 50 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 735 | F | 25.4 | Very low | 27 | Very low | 174 Ų | 174 | 142.6 Ų | 142.6 | 76% | 0.763 | 72% | 0.723 | S | S | * | * | cis | -172.1 | 153.2 | 7.9 | -130 | -17.4 | 0 | 0 | 0 | 110.8 | ||||
| 736 | I | 29.5 | Very low | 26.9 | Very low | 139 Ų | 139 | 139 Ų | 139 | 71% | 0.713 | 72% | 0.721 | S | S | * | * | trans | 65.3 | 144.9 | 143.1 | -74.8 | 167.3 | 0 | 0 | 0 | 118.7 | ||||
| 737 | C | 26.1 | Very low | 26.8 | Very low | 97 Ų | 97 | 139.5 Ų | 139.5 | 66% | 0.655 | 72% | 0.723 | S | S | * | * | cis | -157.6 | 157.3 | 11.5 | -144.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 738 | K | 26 | Very low | 26.7 | Very low | 187 Ų | 187 | 140.9 Ų | 140.9 | 81% | 0.813 | 72% | 0.719 | S | S | * | * | trans | 68.6 | 155.5 | 135.9 | -99.2 | 177.1 | -175.4 | -178 | 0 | 126.8 | ||||
| 739 | S | 25.7 | Very low | 26.8 | Very low | 112 Ų | 112 | 146.9 Ų | 146.9 | 78% | 0.783 | 73% | 0.726 | S | S | * | * | trans | 76.3 | 142.3 | 163.3 | 64.3 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 740 | Q | 29.6 | Very low | 26.6 | Very low | 162 Ų | 162 | 143.1 Ų | 143.1 | 76% | 0.757 | 73% | 0.725 | S | S | * | * | cis | 139.4 | 114.4 | -28.4 | -176 | 179.8 | -1.9 | 0 | 0 | 112.5 | ||||
| 741 | N | 27.5 | Very low | 26.6 | Very low | 128 Ų | 128 | 139 Ų | 139 | 68% | 0.684 | 72% | 0.72 | S | S | * | * | trans | 65.8 | 161.7 | 157.5 | -68.3 | 39.5 | 0 | 0 | 0 | 117.3 | ||||
| 742 | D | 27.7 | Very low | 26.8 | Very low | 109 Ų | 109 | 139.6 Ų | 139.6 | 58% | 0.583 | 73% | 0.725 | S | S | * | * | cis | -159 | 172.9 | -5.1 | -129.5 | -40.4 | 0 | 0 | 0 | 115.6 | ||||
| 743 | H | 28.2 | Very low | 27.1 | Very low | 147 Ų | 147 | 139.2 Ų | 139.2 | 68% | 0.681 | 72% | 0.721 | S | S | * | * | trans | 73.4 | 127.8 | 141.5 | -73 | 5.2 | 0 | 0 | 0 | 125.9 | ||||
| 744 | H | 25.1 | Very low | 27.4 | Very low | 146 Ų | 146 | 143.8 Ų | 143.8 | 68% | 0.676 | 72% | 0.723 | S | S | * | * | trans | 74.9 | 112.8 | 131 | -84.5 | -99 | 0 | 0 | 0 | 127 | ||||
| 745 | Y | 25.2 | Very low | 27.5 | Very low | 198 Ų | 198 | 144.1 Ų | 144.1 | 78% | 0.776 | 72% | 0.717 | S | S | * | * | 72.1 | 116.7 | 122.3 | -91.8 | -122.7 | 0 | 0 | 0 | 125.1 | |||||
| 746 | V | 26.7 | Very low | 27.7 | Very low | 118 Ų | 118 | 140 Ų | 140 | 72% | 0.715 | 71% | 0.71 | S | S | * | * | 86.4 | 109.6 | 126.3 | 167.5 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 747 | R | 25.5 | Very low | 27.8 | Very low | 215 Ų | 215 | 138.6 Ų | 138.6 | 81% | 0.811 | 71% | 0.708 | S | S | * | * | trans | 84.3 | 123.5 | 131.9 | 175.4 | 166.9 | -80 | 178.8 | -3.7 | 123.9 | ||||
| 748 | E | 26.3 | Very low | 28.2 | Very low | 126 Ų | 126 | 140.5 Ų | 140.5 | 59% | 0.589 | 71% | 0.711 | S | S | * | * | trans | 101.5 | 137.5 | 141.8 | -108.9 | 178.1 | -102 | 0 | 0 | 123.5 | ||||
| 749 | R | 27 | Very low | 28.3 | Very low | 224 Ų | 224 | 142.1 Ų | 142.1 | 85% | 0.845 | 71% | 0.712 | S | S | * | * | trans | 64.3 | 144.2 | 162.8 | -60.2 | 176.1 | -162.6 | -165.3 | 1.6 | 118.9 | ||||
| 750 | G | 26.8 | Very low | 28.4 | Very low | 74 Ų | 74 | 140.3 Ų | 140.3 | 76% | 0.763 | 70% | 0.703 | S | S | * | * | cis | 146.8 | 107 | -14.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 751 | S | 27.5 | Very low | 28.5 | Very low | 107 Ų | 107 | 139.8 Ų | 139.8 | 75% | 0.748 | 71% | 0.706 | S | S | * | * | trans | -160 | 127.5 | 158.6 | 34 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 752 | S | 29.4 | Very low | 28.6 | Very low | 96 Ų | 96 | 138.4 Ų | 138.4 | 67% | 0.671 | 71% | 0.706 | S | S | * | * | 74.1 | 135.6 | 53 | 75.4 | 0 | 0 | 0 | 0 | 112 | |||||
| 753 | F | 31.1 | Very low | 28.6 | Very low | 164 Ų | 164 | 138.8 Ų | 138.8 | 72% | 0.719 | 71% | 0.712 | S | S | * | * | cis | -155.5 | 138.7 | 46.8 | -121.5 | -93.3 | 0 | 0 | 0 | 115 | ||||
| 754 | R | 32.8 | Very low | 28.7 | Very low | 199 Ų | 199 | 139.8 Ų | 139.8 | 75% | 0.751 | 72% | 0.715 | S | S | * | * | trans | 59.7 | 160 | 145.2 | -81.1 | -173.1 | 142.9 | 157.1 | -17.5 | 122.6 | ||||
| 755 | D | 28 | Very low | 28.9 | Very low | 105 Ų | 105 | 143.4 Ų | 143.4 | 56% | 0.561 | 72% | 0.722 | S | S | * | * | cis | -149.1 | 135.3 | -12.9 | -119.3 | -16.4 | 0 | 0 | 0 | 106.6 | ||||
| 756 | S | 29.6 | Very low | 29.1 | Very low | 87 Ų | 87 | 138.2 Ų | 138.2 | 61% | 0.608 | 72% | 0.715 | S | S | * | * | 69.4 | 154.2 | 74.3 | 95.7 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 757 | T | 31.8 | Very low | 29.3 | Very low | 109 Ų | 109 | 137.7 Ų | 137.7 | 67% | 0.669 | 72% | 0.716 | S | S | * | * | cis | -139.6 | 140.8 | 28.8 | 51.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 758 | L | 34 | Very low | 29.7 | Very low | 138 Ų | 138 | 135 Ų | 135 | 72% | 0.723 | 71% | 0.713 | S | S | * | * | 64.5 | 156.4 | 98.7 | -48.9 | 173.4 | 0 | 0 | 0 | 115.9 | |||||
| 759 | R | 27.6 | Very low | 29.8 | Very low | 221 Ų | 221 | 139.1 Ų | 139.1 | 83% | 0.834 | 72% | 0.723 | S | S | * | * | cis | -164.2 | -164.6 | 8 | -135.3 | 164.7 | -173.8 | -173 | 1.8 | 109.5 | ||||
| 760 | A | 29.3 | Very low | 29.9 | Very low | 73 Ų | 73 | 132.8 Ų | 132.8 | 60% | 0.603 | 71% | 0.713 | S | S | * | * | -157.3 | -175.1 | -97.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 761 | N | 30.6 | Very low | 30 | Very low | 151 Ų | 151 | 137.1 Ų | 137.1 | 81% | 0.807 | 71% | 0.714 | S | S | * | * | trans | 74 | 151.8 | 162 | -61.9 | -7.7 | 0 | 0 | 0 | 117.9 | ||||
| 762 | S | 29.5 | Very low | 30.2 | Very low | 100 Ų | 100 | 137 Ų | 137 | 70% | 0.699 | 71% | 0.709 | S | S | * | * | cis | -178 | 175.8 | -17.8 | 53.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 763 | V | 29.2 | Very low | 30.1 | Very low | 116 Ų | 116 | 139.7 Ų | 139.7 | 70% | 0.703 | 72% | 0.715 | S | S | * | * | trans | 107.3 | 112.3 | 150.5 | 171 | 0 | 0 | 0 | 0 | 121 | ||||
| 764 | K | 29.2 | Very low | 29.9 | Very low | 169 Ų | 169 | 136.9 Ų | 136.9 | 74% | 0.735 | 72% | 0.716 | S | S | * | * | trans | 58.6 | 117.8 | 143.7 | -71.7 | 177.2 | -171.4 | 170.4 | 0 | 120.4 | ||||
| 765 | R | 30.2 | Very low | 29.7 | Very low | 222 Ų | 222 | 134.5 Ų | 134.5 | 84% | 0.838 | 72% | 0.717 | S | S | * | * | 89.1 | 143.4 | 84.7 | -82 | -168 | 175.4 | 178 | -3 | 113.4 | |||||
| 766 | S | 29.3 | Very low | 29.8 | Very low | 88 Ų | 88 | 136.2 Ų | 136.2 | 62% | 0.615 | 73% | 0.726 | S | S | * | * | cis | -172.3 | 143.9 | -7.8 | 43.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 767 | S | 29.9 | Very low | 29.8 | Very low | 107 Ų | 107 | 139.2 Ų | 139.2 | 75% | 0.748 | 73% | 0.734 | S | S | * | * | trans | 68.4 | 160.2 | 147 | 75.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 768 | Q | 33.6 | Very low | 30 | Very low | 158 Ų | 158 | 139.9 Ų | 139.9 | 74% | 0.738 | 74% | 0.74 | S | S | * | * | cis | -130.8 | 138 | 11.2 | -87.2 | -168.4 | 2.2 | 0 | 0 | 110.5 | ||||
| 769 | R | 29.5 | Very low | 30.2 | Very low | 214 Ų | 214 | 139.2 Ų | 139.2 | 81% | 0.808 | 74% | 0.744 | S | S | * | * | 79.7 | 133.8 | 91.3 | -163.2 | 178.5 | -168.3 | 145.2 | 8.8 | 113.2 | |||||
| 770 | S | 28.3 | Very low | 30.2 | Very low | 90 Ų | 90 | 132.1 Ų | 132.1 | 63% | 0.629 | 74% | 0.74 | S | S | * | * | cis | -148.8 | 147.9 | -0.7 | 31.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 771 | E | 29.9 | Very low | 30.1 | Very low | 166 Ų | 166 | 135.1 Ų | 135.1 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | 67.7 | 136.3 | 57.4 | -61.2 | 179.8 | 140.3 | 0 | 0 | 113.4 | |||||
| 772 | T | 30.6 | Very low | 29.9 | Very low | 105 Ų | 105 | 133.4 Ų | 133.4 | 64% | 0.644 | 75% | 0.749 | S | S | * | * | cis | -170.6 | 151.9 | -0.5 | 21.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 773 | D | 28.1 | Very low | 29.8 | Very low | 151 Ų | 151 | 138.6 Ų | 138.6 | 81% | 0.807 | 76% | 0.759 | S | S | * | * | trans | 57.5 | 172.7 | 141 | -54 | -13.1 | 0 | 0 | 0 | 120.2 | ||||
| 774 | S | 26.8 | Very low | 29.7 | Very low | 105 Ų | 105 | 138.4 Ų | 138.4 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | cis | -149.2 | 139.9 | 10 | 64.9 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 775 | L | 28.9 | Very low | 29.6 | Very low | 149 Ų | 149 | 135 Ų | 135 | 78% | 0.78 | 77% | 0.766 | S | S | * | * | trans | 14.7 | 144.5 | 139.3 | -66.5 | 170.7 | 0 | 0 | 0 | 124.8 | ||||
| 776 | D | 29.3 | Very low | 29.5 | Very low | 141 Ų | 141 | 130 Ų | 130 | 75% | 0.754 | 77% | 0.765 | S | S | * | * | trans | 80.6 | 160 | 135.7 | -69.2 | -24.7 | 0 | 0 | 0 | 124.5 | ||||
| 777 | I | 31.1 | Very low | 29.5 | Very low | 150 Ų | 150 | 130.2 Ų | 130.2 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | -135 | 140.8 | -157.2 | -48.8 | 164.6 | 0 | 0 | 0 | 110.1 | ||||
| 778 | P | 35.5 | Very low | 29.5 | Very low | 123 Ų | 123 | 133.2 Ų | 133.2 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | -141.8 | 139.9 | 128 | 35.6 | -22.6 | 0 | 0 | 0 | 114.2 | |||||
| 779 | P | 38 | Very low | 29.3 | Very low | 124 Ų | 124 | 132.8 Ų | 132.8 | 81% | 0.805 | 78% | 0.782 | S | S | * | * | trans | -91.3 | 145.7 | 175.4 | 35.6 | -32.5 | 0 | 0 | 0 | 112.9 | ||||
| 780 | G | 27.9 | Very low | 29.3 | Very low | 73 Ų | 73 | 130.5 Ų | 130.5 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | trans | -146.4 | 112.5 | -178 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 781 | V | 27.3 | Very low | 29.3 | Very low | 136 Ų | 136 | 132 Ų | 132 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | trans | 50.4 | 103.6 | 146.4 | -170.4 | 0 | 0 | 0 | 0 | 120 | ||||
| 782 | C | 25.8 | Very low | 29.3 | Very low | 114 Ų | 114 | 131.6 Ų | 131.6 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | trans | 30.1 | 129.5 | 134.9 | -50.5 | 0 | 0 | 0 | 0 | 122 | ||||
| 783 | K | 26.6 | Very low | 29.1 | Very low | 209 Ų | 209 | 133.3 Ų | 133.3 | 91% | 0.909 | 80% | 0.798 | S | S | * | * | -165.3 | 178.4 | 107.5 | -106.9 | 166.5 | -173.7 | 176.3 | 0 | 113.9 | |||||
| 784 | S | 27.3 | Very low | 29.2 | Very low | 112 Ų | 112 | 132 Ų | 132 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | trans | -117.5 | 174.9 | -159.6 | -38.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 785 | A | 27.4 | Very low | 29.3 | Very low | 98 Ų | 98 | 133.2 Ų | 133.2 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | trans | 69.5 | 157.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 786 | S | 27.8 | Very low | 29.3 | Very low | 116 Ų | 116 | 133.2 Ų | 133.2 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | cis | -154.3 | 166.6 | -5.4 | 31.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 787 | A | 30.2 | Very low | 29.4 | Very low | 94 Ų | 94 | 134 Ų | 134 | 78% | 0.777 | 80% | 0.797 | S | S | * | * | trans | -71.1 | 146 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 788 | L | 30.7 | Very low | 29.2 | Very low | 169 Ų | 169 | 134.5 Ų | 134.5 | 89% | 0.885 | 80% | 0.796 | S | S | * | * | trans | -152.7 | 149.2 | 146 | -143.8 | 78.2 | 0 | 0 | 0 | 110.1 | ||||
| 789 | N | 28.4 | Very low | 29.6 | Very low | 150 Ų | 150 | 133.5 Ų | 133.5 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | trans | -74.7 | 151.2 | 168.9 | -65.8 | -32.7 | 0 | 0 | 0 | 110.2 | ||||
| 790 | L | 30.1 | Very low | 29.2 | Very low | 166 Ų | 166 | 133 Ų | 133 | 87% | 0.869 | 78% | 0.78 | S | S | * | * | trans | -150.4 | 105.4 | 146.1 | -115.2 | 169.8 | 0 | 0 | 0 | 110.4 | ||||
| 791 | T | 27.8 | Very low | 29.3 | Very low | 121 Ų | 121 | 137 Ų | 137 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | trans | -81.5 | 139.8 | 162 | 48 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 792 | I | 29.4 | Very low | 29.5 | Very low | 158 Ų | 158 | 136.6 Ų | 136.6 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | trans | -165.4 | 135.9 | 139.8 | -105.2 | 154.4 | 0 | 0 | 0 | 108.5 | ||||
| 793 | D | 27.6 | Very low | 29.7 | Very low | 141 Ų | 141 | 143 Ų | 143 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | trans | -72.9 | 164.9 | 179.2 | -55.3 | -91.2 | 0 | 0 | 0 | 112.7 | ||||
| 794 | T | 30.3 | Very low | 30 | Very low | 123 Ų | 123 | 141 Ų | 141 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | -159.7 | 143.8 | 121.6 | 4.5 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 795 | N | 29 | Very low | 30.2 | Very low | 130 Ų | 130 | 143.2 Ų | 143.2 | 70% | 0.695 | 78% | 0.78 | S | S | * | * | trans | 78.9 | 93.6 | 148.5 | -62.9 | -19.6 | 0 | 0 | 0 | 121.4 | ||||
| 796 | L | 28.3 | Very low | 30.5 | Very low | 149 Ų | 149 | 147 Ų | 147 | 78% | 0.78 | 78% | 0.779 | S | S | * | * | 101.8 | 143.7 | 106.9 | -83.6 | 166.4 | 0 | 0 | 0 | 120.8 | |||||
| 797 | L | 31.2 | Very low | 30.8 | Very low | 159 Ų | 159 | 146.1 Ų | 146.1 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | 73.3 | 81.3 | 163.5 | -63.8 | 167.6 | 0 | 0 | 0 | 119 | ||||
| 798 | H | 27.7 | Very low | 30.9 | Very low | 160 Ų | 160 | 153.9 Ų | 153.9 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | trans | -61.4 | 172.9 | 132.7 | -118.9 | 41.5 | 0 | 0 | 0 | 110.7 | ||||
| 799 | P | 43.9 | Very low | 31.1 | Very low | 101 Ų | 101 | 155.2 Ų | 155.2 | 66% | 0.656 | 81% | 0.805 | S | S | * | * | cis | -141 | 162.7 | 22 | 40.2 | -20.8 | 0 | 0 | 0 | 118.7 | ||||
| 800 | D | 28 | Very low | 31.3 | Very low | 115 Ų | 115 | 155.5 Ų | 155.5 | 62% | 0.615 | 81% | 0.805 | S | S | * | * | trans | 64.4 | 154.9 | 138.3 | -73.5 | -41.3 | 0 | 0 | 0 | 121.5 | ||||
| 801 | H | 30.5 | Very low | 31.3 | Very low | 156 Ų | 156 | 154.9 Ų | 154.9 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | cis | -151 | -169.2 | 8.8 | -132.1 | 15.4 | 0 | 0 | 0 | 112.1 | ||||
| 802 | T | 31.2 | Very low | 31.5 | Very low | 128 Ų | 128 | 156.8 Ų | 156.8 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | 71.5 | 95 | 168.6 | 69.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 803 | R | 30.9 | Very low | 31.7 | Very low | 248 Ų | 248 | 156.7 Ų | 156.7 | 94% | 0.936 | 81% | 0.805 | S | S | * | * | trans | -78.2 | 148.4 | 139.9 | -74 | 176.6 | 169.7 | 174.3 | -3 | 109.2 | ||||
| 804 | L | 32.7 | Very low | 31.9 | Very low | 168 Ų | 168 | 157.7 Ų | 157.7 | 88% | 0.88 | 81% | 0.808 | S | S | * | * | trans | -140.9 | 164.5 | 156.3 | -112.1 | 170 | 0 | 0 | 0 | 112.1 | ||||
| 805 | H | 31.5 | Very low | 32 | Very low | 158 Ų | 158 | 160 Ų | 160 | 73% | 0.731 | 81% | 0.812 | S | S | * | * | trans | -96.8 | 147.4 | -152 | -97.9 | -78.6 | 0 | 0 | 0 | 116 | ||||
| 806 | K | 33.1 | Very low | 32.3 | Very low | 177 Ų | 177 | 162.1 Ų | 162.1 | 77% | 0.77 | 82% | 0.82 | S | S | * | * | trans | 62.6 | 145.2 | 137.6 | -79.4 | -179.5 | 170.6 | -178.5 | 0 | 122.2 | ||||
| 807 | S | 34 | Very low | 32.6 | Very low | 98 Ų | 98 | 163.2 Ų | 163.2 | 69% | 0.685 | 82% | 0.823 | S | S | * | * | trans | 77.9 | 118.8 | 135.5 | 56.1 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 808 | W | 33.5 | Very low | 32.7 | Very low | 257 Ų | 257 | 163.5 Ų | 163.5 | 97% | 0.973 | 82% | 0.822 | S | S | * | * | trans | 66.1 | 95.2 | 133.9 | -75 | 54.4 | 0 | 0 | 0 | 118.9 | ||||
| 809 | S | 35.1 | Very low | 33.1 | Very low | 196 Ų | 196 | 163.8 Ų | 163.8 | 100% | 1.371 | 83% | 0.829 | S | S | * | * | -141.4 | 0 | 128.3 | 66.1 | 0 | 0 | 0 | 0 | 108.7 |
Retrieved 809 of 809 residues in 1254.6 ms
(Link to these results)