| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 63.4 | Low | 89.9 | Confident | 209 Ų | 209 | 88.8 Ų | 88.8 | 100% | 1.03 | 40% | 0.395 | S | S | * | . | 0 | 109.8 | 0 | -171.4 | -177.3 | -88.3 | 0 | 0 | 107.4 | R3 | M1-R3 PolarHBondContact O-N 3.23Š| |||
| 2 | R | 76.1 | Confident | 90.5 | Very high | 70 Ų | 70 | 93.2 Ų | 93.2 | 26% | 0.264 | 41% | 0.413 | S | S | . | . | trans | -60.3 | 133.6 | -177.4 | -168.1 | 175 | 75.5 | 95.1 | 4.8 | 110.3 | S4 E289 T291 H298 | R2-S4 PolarHBondContact O-N 3.46Å; R2-E289 IonicContact CZ-OE1 2.63Å; R2-E289 IonicContact CZ-OE2 2.75Å; R2-E289 IonicContact NH1-OE1 2.79Å; R2-E289 PolarHBondContact NH1-OE1 3.2Å; R2-E289 IonicContact NH1-OE2 2.87Å; R2-E289 PolarHBondContact NH1-OE2 3.06Å; R2-E289 VanDerWaalsContact NH2-CD 3.29Å; R2-E289 IonicContact NH2-OE1 3.78Å; R2-E289 IonicContact NH2-OE2 3.19Å; R2-E289 PolarHBondContact NH2-OE2 3.47Å; R2-T291 VanDerWaalsContact NH1-CG2 3.33Å; R2-H298 VanDerWaalsContact NE-CG 3.31Å; R2-H298 PolarHBondContact NE-ND1 3.03Å | ||
| 3 | R | 85.8 | Confident | 91 | Very high | 250 Ų | 250 | 89.5 Ų | 89.5 | 94% | 0.943 | 40% | 0.404 | S | S | * | . | trans | -89.6 | 90.6 | 175.1 | -70.5 | -174.7 | 179.5 | -174.8 | 0.8 | 108.8 | M1 | M1-R3 PolarHBondContact O-N 3.23Š| ||
| 4 | S | 91.6 | Very high | 91.4 | Very high | 21 Ų | 21 | 86.1 Ų | 86.1 | 15% | 0.147 | 40% | 0.396 | C | S | . | . | trans | -97.7 | 132.7 | 170.8 | 168.1 | 0 | 0 | 0 | 0 | 110.4 | R2 F6 K7 E289 | R2-S4 PolarHBondContact O-N 3.46Å; S4-F6 PolarHBondContact O-N 3.13Å; S4-F6 PolarHBondContact OG-N 2.92Å; S4-K7 WeakPolarHBondContact O-CB 3.4Å; S4-K7 PolarHBondContact O-N 2.85Å; S4-K7 PolarHBondContact OG-N 2.7Å; S4-E289 WeakPolarHBondContact CB-OE2 3.32Å; S4-E289 PolarHBondContact OG-OE2 2.96Å | ||
| 5 | K | 93.2 | Very high | 91.7 | Very high | 97 Ų | 97 | 90.3 Ų | 90.3 | 42% | 0.422 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -16 | 169.7 | 65.3 | -175 | -179.6 | -174.4 | 0 | 112.8 | D356 L357 | K5-D356 PolarHBondContact NZ-O 3.3Å; K5-L357 HydrophobicContact CD-CD2 4.36Å |
| 6 | F | 96 | Very high | 91.7 | Very high | 4 Ų | 4 | 92.3 Ų | 92.3 | 2% | 0.018 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 2 | -178.8 | -54.9 | -64 | 0 | 0 | 0 | 113.9 | S4 H8 V9 T272 L274 E289 I300 I327 V346 L357 | S4-F6 PolarHBondContact O-N 3.13Å; S4-F6 PolarHBondContact OG-N 2.92Å; F6-H8 PolarHBondContact O-N 3.26Å; F6-V9 HydrophobicContact CB-CG2 3.86Å; F6-V9 HydrophobicContact CD1-CG2 4.03Å; F6-V9 HydrophobicContact CG-CG2 4.44Å; F6-V9 WeakPolarHBondContact O-CB 3.3Å; F6-V9 WeakPolarHBondContact O-CG2 3.31Å; F6-V9 PolarHBondContact O-N 2.72Å; F6-T272 HydrophobicContact CE1-CG2 3.85Å; F6-T272 VanDerWaalsContact CE2-O 3.23Å; F6-T272 WeakPolarHBondContact CE2-O 3.05Å; F6-T272 VanDerWaalsContact CZ-CB 3.41Å; F6-T272 HydrophobicContact CZ-CG2 3.66Å; F6-L274 HydrophobicContact CB-CD1 4.34Å; F6-L274 HydrophobicContact CB-CD2 4.05Å; F6-L274 HydrophobicContact CD1-CD1 4.07Å; F6-L274 HydrophobicContact CD2-CD2 3.99Å; F6-L274 HydrophobicContact CD2-CG 4.36Å; F6-L274 HydrophobicContact CG-CD1 4.1Å; F6-L274 HydrophobicContact CG-CD2 4.06Å; F6-L274 HydrophobicContact CG-CG 4.34Å; F6-E289 HydrophobicContact CD2-CG 4.43Å; F6-I300 HydrophobicContact CB-CD1 3.94Å; F6-I300 WeakPolarHBondContact O-CG2 3.36Å; F6-I327 HydrophobicContact CD1-CD1 4.21Å; F6-I327 HydrophobicContact CE1-CD1 4.42Å; F6-V346 HydrophobicContact CD1-CG2 4.06Å; F6-V346 HydrophobicContact CE1-CG2 4.37Å; F6-L357 HydrophobicContact CE1-CD2 3.94Å |
| 7 | K | 94.4 | Very high | 91.8 | Very high | 102 Ų | 102 | 93.6 Ų | 93.6 | 44% | 0.443 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | -31 | -179.5 | -177.4 | 178.9 | 178.7 | -176.4 | 0 | 114 | S4 | S4-K7 WeakPolarHBondContact O-CB 3.4Å; S4-K7 PolarHBondContact O-N 2.85Å; S4-K7 PolarHBondContact OG-N 2.7Å |
| 8 | H | 96 | Very high | 92 | Very high | 126 Ų | 126 | 91.7 Ų | 91.7 | 58% | 0.583 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111 | 17.1 | -175.7 | -60.6 | -62.3 | 0 | 0 | 0 | 113.6 | F6 F10 P347 | F6-H8 PolarHBondContact O-N 3.26Å; H8-F10 PolarHBondContact O-N 2.83Å; H8-P347 HydrophobicContact CB-CG 3.78Å; H8-P347 WeakPolarHBondContact O-CD 3.37Å; H8-P347 WeakPolarHBondContact O-CG 3.36Å |
| 9 | V | 97.4 | Very high | 92.3 | Very high | 2 Ų | 2 | 87 Ų | 87 | 1% | 0.012 | 40% | 0.404 | C | S | . | . | trans | -58.8 | 133.2 | 171.2 | 169.2 | 0 | 0 | 0 | 0 | 109.7 | F6 Y287 I327 F344 T345 V346 | F6-V9 HydrophobicContact CB-CG2 3.86Å; F6-V9 HydrophobicContact CD1-CG2 4.03Å; F6-V9 HydrophobicContact CG-CG2 4.44Å; F6-V9 WeakPolarHBondContact O-CB 3.3Å; F6-V9 WeakPolarHBondContact O-CG2 3.31Å; F6-V9 PolarHBondContact O-N 2.72Å; V9-Y287 HydrophobicContact CB-CE2 4.21Å; V9-Y287 HydrophobicContact CG1-CE2 4Å; V9-Y287 PolarHBondContact O-OH 3.18Å; V9-I327 HydrophobicContact CB-CD1 4.49Å; V9-I327 HydrophobicContact CG1-CD1 3.99Å; V9-I327 HydrophobicContact CG2-CD1 3.6Å; V9-F344 HydrophobicContact CG1-CB 4.36Å; V9-F344 HydrophobicContact CG1-CD1 4Å; V9-T345 WeakPolarHBondContact CA-O 3.33Å; V9-V346 HydrophobicContact CG2-CG2 3.72Å | ||
| 10 | F | 97.5 | Very high | 92.6 | Very high | 85 Ų | 85 | 82.8 Ų | 82.8 | 37% | 0.373 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 139.6 | 176 | 65.9 | -83.9 | 0 | 0 | 0 | 110.5 | H8 K12 F344 T345 P347 | H8-F10 PolarHBondContact O-N 2.83Å; F10-K12 HydrophobicContact CD2-CB 4.25Å; F10-K12 HydrophobicContact CE2-CB 4.18Å; F10-F344 WeakPolarHBondContact O-CA 3.4Å; F10-T345 HydrophobicContact CE1-CG2 4.34Å; F10-T345 HydrophobicContact CZ-CG2 4.21Å; F10-T345 PolarHBondContact N-O 3.44Å; F10-T345 PolarHBondContact O-N 3.18Å; F10-P347 HydrophobicContact CD1-CG 4.46Å; F10-P347 HydrophobicContact CE1-CB 4.02Å; F10-P347 HydrophobicContact CE1-CG 4.25Å |
| 11 | G | 97.8 | Very high | 92.8 | Very high | 11 Ų | 11 | 80.9 Ų | 80.9 | 11% | 0.113 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 134.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | L303 P343 | G11-L303 WeakPolarHBondContact O-CD1 3.38Å; G11-P343 CarbonylContact C-O 3.57Å; G11-P343 WeakPolarHBondContact CA-O 3.46Å |
| 12 | K | 97 | Very high | 94.4 | Very high | 141 Ų | 141 | 74.7 Ų | 74.7 | 61% | 0.613 | 35% | 0.347 | S | S | * | . | trans | -128.9 | 105.7 | 177 | -176.8 | -179.6 | 178.7 | -177.4 | 0 | 109.7 | F10 C14 P343 | F10-K12 HydrophobicContact CD2-CB 4.25Å; F10-K12 HydrophobicContact CE2-CB 4.18Å; K12-C14 PolarHBondContact O-N 2.89Å; K12-P343 PolarHBondContact N-O 3.36Å; K12-P343 WeakPolarHBondContact O-CD 3.17Å; K12-P343 WeakPolarHBondContact O-CG 3.23Å | ||
| 13 | P | 97 | Very high | 95.4 | Very high | 45 Ų | 45 | 71.8 Ų | 71.8 | 29% | 0.292 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -53.2 | 132.8 | 173.9 | -26.4 | 35 | 0 | 0 | 0 | 111.6 | E340 I342 | P13-E340 HydrophobicContact CB-CG 4.22Å; P13-E340 WeakPolarHBondContact CB-OE1 3.46Å; P13-I342 HydrophobicContact CB-CG1 4.31Å; P13-I342 HydrophobicContact CG-CG1 4.3Å; P13-I342 HydrophobicContact CG-CG2 4.38Å |
| 14 | C | 96.3 | Very high | 95.9 | Very high | 42 Ų | 42 | 67.4 Ų | 67.4 | 28% | 0.284 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -63 | 155.8 | 174.8 | -75.5 | 0 | 0 | 0 | 0 | 110.5 | K12 C18 V341 P343 | K12-C14 PolarHBondContact O-N 2.89Å; C14-C18 HydrophobicContact CB-CB 3.96Å; C14-V341 HydrophobicContact CB-CB 4.17Å; C14-V341 WeakPolarHBondContact CB-O 3.13Å; C14-V341 PolarHBondContact N-O 3.44Å; C14-P343 VanDerWaalsContact SG-CD 3.54Å |
| 15 | K | 95.4 | Very high | 96.1 | Very high | 150 Ų | 150 | 67 Ų | 67 | 65% | 0.652 | 32% | 0.315 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 157.2 | 170.1 | -59.5 | -176.6 | 179.1 | 177.5 | 0 | 109.9 | E17 C18 C19 | K15-E17 HydrophobicContact CB-CG 4.21Å; K15-E17 WeakPolarHBondContact CB-OE1 3.37Å; K15-E17 WeakPolarHBondContact CB-OE2 3.3Å; K15-E17 WeakPolarHBondContact CD-OE1 3.29Å; K15-E17 PolarHBondContact O-N 3.07Å; K15-C18 PolarHBondContact O-N 2.62Å; K15-C19 PolarHBondContact O-SG 3.33Å; K15-C19 VanDerWaalsContact O-SG 3.37Å |
| 16 | K | 92.8 | Very high | 96.3 | Very high | 122 Ų | 122 | 62.9 Ų | 62.9 | 53% | 0.53 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -57.8 | -36.2 | -172.4 | -166.9 | 179.4 | -175 | -138.4 | 0 | 112.8 | C18 C19 E21 | K16-C18 PolarHBondContact O-N 3.08Å; K16-C19 WeakPolarHBondContact O-CB 3.48Å; K16-C19 PolarHBondContact O-N 3.48Å; K16-E21 WeakPolarHBondContact CE-OE2 3.15Å; K16-E21 IonicContact NZ-OE1 2.83Å; K16-E21 IonicContact NZ-OE2 3.76Å; K16-E21 PolarHBondContact NZ-OE2 3.44Å |
| 17 | E | 93.5 | Very high | 96.3 | Very high | 114 Ų | 114 | 69.7 Ų | 69.7 | 53% | 0.533 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -62.4 | -18.4 | 175.6 | 59.7 | -92.5 | -149.4 | 0 | 0 | 114.6 | K15 V62 | K15-E17 HydrophobicContact CB-CG 4.21Å; K15-E17 WeakPolarHBondContact CB-OE1 3.37Å; K15-E17 WeakPolarHBondContact CB-OE2 3.3Å; K15-E17 WeakPolarHBondContact CD-OE1 3.29Å; K15-E17 PolarHBondContact O-N 3.07Å; E17-V62 WeakPolarHBondContact O-CG2 3.36Å |
| 18 | C | 95.5 | Very high | 96.2 | Very high | 60 Ų | 60 | 66.1 Ų | 66.1 | 41% | 0.405 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -103.3 | 12.5 | 175.4 | -58 | 0 | 0 | 0 | 0 | 112.3 | C14 K15 K16 | C14-C18 HydrophobicContact CB-CB 3.96Å; K15-C18 PolarHBondContact O-N 2.62Å; K16-C18 PolarHBondContact O-N 3.08Å |
| 19 | C | 97.2 | Very high | 96.1 | Very high | 2 Ų | 2 | 65.2 Ų | 65.2 | 1% | 0.014 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -111.3 | 175.4 | 177.7 | -62 | 0 | 0 | 0 | 0 | 110.3 | K15 K16 G63 L338 C339 | K15-C19 PolarHBondContact O-SG 3.33Å; K15-C19 VanDerWaalsContact O-SG 3.37Å; K16-C19 WeakPolarHBondContact O-CB 3.48Å; K16-C19 PolarHBondContact O-N 3.48Å; C19-G63 WeakPolarHBondContact O-CA 3.17Å; C19-G63 PolarHBondContact O-N 2.77Å; C19-L338 HydrophobicContact CB-CD1 3.84Å; C19-C339 WeakPolarHBondContact CB-O 3.36Å |
| 20 | Y | 98.2 | Very high | 95.9 | Very high | 3 Ų | 3 | 68.1 Ų | 68.1 | 1% | 0.012 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 126.8 | 177.9 | -46.2 | -101 | 0 | 0 | 0 | 109.9 | L42 L57 I59 K61 V62 G63 Y331 L338 C339 V341 | Y20-L42 HydrophobicContact CD1-CD2 4.09Å; Y20-L42 HydrophobicContact CD2-CD2 3.44Å; Y20-L42 VanDerWaalsContact CD2-CD2 3.44Å; Y20-L42 HydrophobicContact CE1-CD2 4.02Å; Y20-L42 HydrophobicContact CE2-CD2 3.38Å; Y20-L42 HydrophobicContact CG-CD2 3.82Å; Y20-L57 HydrophobicContact CD1-CD1 3.69Å; Y20-L57 HydrophobicContact CE1-CD1 4.28Å; Y20-L57 HydrophobicContact CG-CD1 4.49Å; Y20-I59 PolarHBondContact OH-O 3.41Å; Y20-K61 WeakPolarHBondContact CD1-O 3.31Å; Y20-K61 VanDerWaalsContact CE1-O 3.31Å; Y20-K61 WeakPolarHBondContact CE1-O 3.36Å; Y20-V62 HydrophobicContact CE1-CG1 4.04Å; Y20-V62 HydrophobicContact CE2-CG1 4.42Å; Y20-G63 WeakPolarHBondContact CA-O 3.12Å; Y20-Y331 HydrophobicContact CE2-CD1 4.09Å; Y20-Y331 AromaticContact CE2-CE1 3.77Å; Y20-Y331 HydrophobicContact CE2-CE1 3.77Å; Y20-L338 WeakPolarHBondContact O-CA 3.45Å; Y20-C339 HydrophobicContact CD2-CB 4.05Å; Y20-C339 PolarHBondContact N-O 3.45Å; Y20-C339 VanDerWaalsContact N-O 3.09Å; Y20-C339 PolarHBondContact O-N 3.28Å; Y20-V341 HydrophobicContact CD2-CG2 4.35Å; Y20-V341 HydrophobicContact CE2-CG2 3.86Å |
| 21 | E | 97.5 | Very high | 95.7 | Very high | 42 Ų | 42 | 66.9 Ų | 66.9 | 20% | 0.196 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 164 | -170.8 | -55.7 | -175.2 | -129.1 | 0 | 0 | 112.9 | K16 I23 G63 V65 G337 L338 | K16-E21 WeakPolarHBondContact CE-OE2 3.15Å; K16-E21 IonicContact NZ-OE1 2.83Å; K16-E21 IonicContact NZ-OE2 3.76Å; K16-E21 PolarHBondContact NZ-OE2 3.44Å; E21-I23 VanDerWaalsContact C-N 3.27Å; E21-I23 PolarHBondContact O-N 3.07Å; E21-G63 PolarHBondContact N-O 2.99Å; E21-V65 WeakPolarHBondContact O-CB 3.45Å; E21-V65 WeakPolarHBondContact O-CG2 3.18Å; E21-V65 PolarHBondContact O-N 2.81Å; E21-G337 CarbonylContact C-O 3.51Å; E21-L338 HydrophobicContact CG-CD1 3.96Å |
| 22 | D | 96.6 | Very high | 95.5 | Very high | 80 Ų | 80 | 66.7 Ų | 66.7 | 43% | 0.428 | 33% | 0.33 | S | S | . | . | S | Bend | trans | 60.3 | 28.5 | 177.2 | -78.2 | 2.3 | 0 | 0 | 0 | 114.7 | R64 G337 | D22-R64 HydrophobicContact CB-CG 4.13Å; D22-R64 IonicContact OD2-CZ 3.21Å; D22-R64 IonicContact OD2-NE 2.7Å; D22-R64 PolarHBondContact OD2-NE 3.45Å; D22-R64 IonicContact OD2-NH2 2.85Å; D22-R64 PolarHBondContact OD2-NH2 2.78Å; D22-G337 PolarHBondContact N-O 3.17Å |
| 23 | I | 96.9 | Very high | 95.5 | Very high | 9 Ų | 9 | 63.7 Ų | 63.7 | 5% | 0.046 | 31% | 0.314 | C | S | . | . | trans | -83.9 | 131.6 | 178.7 | -52.4 | 179.8 | 0 | 0 | 0 | 110.8 | E21 I25 I44 L55 V65 G337 C339 | E21-I23 VanDerWaalsContact C-N 3.27Å; E21-I23 PolarHBondContact O-N 3.07Å; I23-I25 HydrophobicContact CB-CG1 4.13Å; I23-I25 HydrophobicContact CG2-CG1 3.86Å; I23-I25 PolarHBondContact O-N 3.34Å; I23-I44 HydrophobicContact CD1-CD1 3.55Å; I23-I44 HydrophobicContact CG2-CG2 4.07Å; I23-L55 HydrophobicContact CD1-CD2 4.24Å; I23-L55 HydrophobicContact CG1-CD2 4.31Å; I23-L55 HydrophobicContact CG2-CD2 4.07Å; I23-V65 HydrophobicContact CD1-CG2 4.21Å; I23-V65 HydrophobicContact CG1-CB 4.36Å; I23-V65 HydrophobicContact CG1-CG2 3.8Å; I23-G337 PolarHBondContact N-O 3Å; I23-G337 WeakPolarHBondContact O-CA 3.36Å; I23-C339 HydrophobicContact CD1-CB 4.17Å | ||
| 24 | R | 95.9 | Very high | 95.5 | Very high | 157 Ų | 157 | 61.5 Ų | 61.5 | 59% | 0.592 | 30% | 0.301 | S | S | * | . | trans | -80.2 | 65.6 | 173.9 | -60.2 | -176.1 | -170.9 | 177.3 | 5.9 | 111.6 | T46 E47 | R24-T46 CarbonylContact O-C 3.57Å; R24-T46 WeakPolarHBondContact O-CA 3.1Å; R24-T46 WeakPolarHBondContact O-CB 3.48Å; R24-E47 PolarHBondContact O-N 2.93Å | ||
| 25 | I | 97 | Very high | 95.6 | Very high | 12 Ų | 12 | 59.8 Ų | 59.8 | 6% | 0.062 | 29% | 0.289 | C | S | . | . | B | Isolated β-bridge | trans | -59.3 | 135.9 | -178 | -64.6 | 159.8 | 0 | 0 | 0 | 110.5 | I23 I44 R310 L333 H334 | I23-I25 HydrophobicContact CB-CG1 4.13Å; I23-I25 HydrophobicContact CG2-CG1 3.86Å; I23-I25 PolarHBondContact O-N 3.34Å; I25-I44 HydrophobicContact CG1-CG2 4Å; I25-R310 HydrophobicContact CG2-CG 3.96Å; I25-L333 HydrophobicContact CD1-CB 4Å; I25-L333 HydrophobicContact CD1-CD2 4.04Å; I25-L333 HydrophobicContact CD1-CG 4.45Å; I25-L333 HydrophobicContact CG1-CD2 4.45Å; I25-L333 HydrophobicContact CG2-CB 4.45Å; I25-L333 HydrophobicContact CG2-CD1 4.03Å; I25-H334 WeakPolarHBondContact CD1-O 3.43Å |
| 26 | T | 96.9 | Very high | 95.8 | Very high | 11 Ų | 11 | 52.8 Ų | 52.8 | 7% | 0.067 | 26% | 0.259 | C | S | . | . | trans | -51.1 | 138.2 | -179.6 | -176.9 | 0 | 0 | 0 | 0 | 113.7 | S28 F34 I45 R310 | T26-S28 WeakPolarHBondContact OG1-CB 3.42Å; T26-S28 PolarHBondContact OG1-N 3.46Å; T26-F34 HydrophobicContact CG2-CB 4.15Å; T26-F34 HydrophobicContact CG2-CD1 3.84Å; T26-F34 HydrophobicContact CG2-CD2 3.75Å; T26-F34 HydrophobicContact CG2-CE1 4.06Å; T26-F34 HydrophobicContact CG2-CE2 3.99Å; T26-F34 HydrophobicContact CG2-CG 3.66Å; T26-F34 HydrophobicContact CG2-CZ 4.11Å; T26-I45 HydrophobicContact CG2-CB 3.94Å; T26-I45 HydrophobicContact CG2-CG2 3.77Å; T26-I45 PolarHBondContact N-O 2.94Å; T26-R310 PolarHBondContact O-NE 3.07Å; T26-R310 VanDerWaalsContact O-NE 3.14Å; T26-R310 PolarHBondContact O-NH2 3.45Å | ||
| 27 | K | 94.6 | Very high | 96.1 | Very high | 147 Ų | 147 | 47.4 Ų | 47.4 | 64% | 0.639 | 24% | 0.236 | S | C | * | . | trans | -93.9 | 7.2 | 171.8 | -67.2 | -171.7 | -164.9 | 102.5 | 0 | 113.9 | S29 E47 R310 | K27-S29 PolarHBondContact O-N 3.18Å; K27-E47 WeakPolarHBondContact CB-OE1 3.28Å; K27-E47 WeakPolarHBondContact CD-OE1 3.4Å; K27-E47 WeakPolarHBondContact CE-OE1 3.41Å; K27-E47 HydrophobicContact CG-CG 4.39Å; K27-E47 WeakPolarHBondContact CG-OE1 3.17Å; K27-E47 IonicContact NZ-OE1 2.72Å; K27-E47 PolarHBondContact NZ-OE1 3.09Å; K27-E47 IonicContact NZ-OE2 3.97Å; K27-E47 PolarHBondContact NZ-OE2 3.25Å; K27-R310 PolarHBondContact O-NH2 2.94Å | ||
| 28 | S | 93.7 | Very high | 96.3 | Very high | 27 Ų | 27 | 42 Ų | 42 | 19% | 0.189 | 21% | 0.211 | C | C | . | . | trans | -51.6 | 132.3 | 177.6 | 178.9 | 0 | 0 | 0 | 0 | 114 | T26 W30 F34 R310 | T26-S28 WeakPolarHBondContact OG1-CB 3.42Å; T26-S28 PolarHBondContact OG1-N 3.46Å; S28-W30 PolarHBondContact O-N 2.82Å; S28-W30 VanDerWaalsContact OG-CB 3.31Å; S28-W30 WeakPolarHBondContact OG-CB 3.41Å; S28-W30 PolarHBondContact OG-N 2.92Å; S28-F34 WeakPolarHBondContact O-CZ 3.43Å; S28-R310 PolarHBondContact O-NH1 2.84Å; S28-R310 PolarHBondContact O-NH2 3.39Å | ||
| 29 | S | 93 | Very high | 96.4 | Very high | 108 Ų | 108 | 40.4 Ų | 40.4 | 76% | 0.755 | 20% | 0.2 | S | C | * | . | trans | -72.1 | -8.3 | 175.4 | 59.8 | 0 | 0 | 0 | 0 | 113.4 | K27 K280 | K27-S29 PolarHBondContact O-N 3.18Å; S29-K280 PolarHBondContact O-NZ 3.33Å | ||
| 30 | W | 93.9 | Very high | 96.3 | Very high | 62 Ų | 62 | 42.6 Ų | 42.6 | 24% | 0.235 | 21% | 0.209 | C | C | . | . | trans | -54.8 | 136.8 | -178.7 | -165 | -103.8 | 0 | 0 | 0 | 112.5 | S28 A32 F34 L80 G132 K280 | S28-W30 PolarHBondContact O-N 2.82Å; S28-W30 VanDerWaalsContact OG-CB 3.31Å; S28-W30 WeakPolarHBondContact OG-CB 3.41Å; S28-W30 PolarHBondContact OG-N 2.92Å; W30-A32 PolarHBondContact O-N 3.25Å; W30-F34 HydrophobicContact CB-CE1 4.34Å; W30-F34 HydrophobicContact CB-CZ 4.37Å; W30-F34 WeakPolarHBondContact O-CZ 3.34Å; W30-L80 HydrophobicContact CB-CD2 4.12Å; W30-L80 HydrophobicContact CD2-CD1 4.27Å; W30-L80 HydrophobicContact CD2-CD2 4.44Å; W30-L80 HydrophobicContact CE3-CD1 4.5Å; W30-L80 HydrophobicContact CG-CB 4.39Å; W30-L80 HydrophobicContact CG-CD2 4.1Å; W30-G132 PolarHBondContact NE1-O 2.84Å; W30-K280 VanDerWaalsContact C-NZ 3.31Å; W30-K280 PolarHBondContact O-NZ 3.45Å | ||
| 31 | D | 93.6 | Very high | 96.3 | Very high | 59 Ų | 59 | 42.6 Ų | 42.6 | 32% | 0.316 | 21% | 0.209 | S | C | . | . | trans | -85.1 | 92.3 | 177.5 | -66.9 | -39.3 | 0 | 0 | 0 | 109.1 | V263 F265 K280 | D31-V263 HydrophobicContact CB-CG2 4.24Å; D31-V263 WeakPolarHBondContact OD2-CG2 3.38Å; D31-F265 HydrophobicContact CB-CZ 4.27Å; D31-K280 VanDerWaalsContact OD1-CD 3.31Å; D31-K280 WeakPolarHBondContact OD1-CD 3.5Å; D31-K280 IonicContact OD1-NZ 3.92Å; D31-K280 PolarHBondContact OD1-NZ 2.88Å | ||
| 32 | A | 93.9 | Very high | 96.4 | Very high | 8 Ų | 8 | 40.7 Ų | 40.7 | 7% | 0.066 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -144.5 | 172 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110 | W30 F34 L80 | W30-A32 PolarHBondContact O-N 3.25Å; A32-F34 VanDerWaalsContact C-N 3.32Å; A32-F34 HydrophobicContact CB-CD1 3.95Å; A32-F34 HydrophobicContact CB-CE1 3.93Å; A32-L80 VanDerWaalsContact CB-O 3.32Å; A32-L80 WeakPolarHBondContact CB-O 3.44Å |
| 33 | R | 96.2 | Very high | 96.5 | Very high | 77 Ų | 77 | 36.9 Ų | 36.9 | 29% | 0.291 | 18% | 0.18 | S | C | . | . | trans | -72.1 | -26.7 | -179.3 | -66.7 | 176 | -175.8 | 160.7 | -0.3 | 112.8 | C35 F265 F267 G311 M312 | R33-C35 PolarHBondContact O-N 2.98Å; R33-F265 HydrophobicContact CG-CD1 4.49Å; R33-F267 HydrophobicContact CG-CZ 4.33Å; R33-G311 CarbonylContact O-C 3.53Å; R33-G311 WeakPolarHBondContact O-CA 3.47Å; R33-M312 WeakPolarHBondContact CB-O 3.41Å; R33-M312 PolarHBondContact O-N 3.32Å | ||
| 34 | F | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | 56.1 | 1.2 | -177.7 | -58.7 | -30.5 | 0 | 0 | 0 | 116.4 | T26 S28 W30 A32 I45 R310 L333 | T26-F34 HydrophobicContact CG2-CB 4.15Å; T26-F34 HydrophobicContact CG2-CD1 3.84Å; T26-F34 HydrophobicContact CG2-CD2 3.75Å; T26-F34 HydrophobicContact CG2-CE1 4.06Å; T26-F34 HydrophobicContact CG2-CE2 3.99Å; T26-F34 HydrophobicContact CG2-CG 3.66Å; T26-F34 HydrophobicContact CG2-CZ 4.11Å; S28-F34 WeakPolarHBondContact O-CZ 3.43Å; W30-F34 HydrophobicContact CB-CE1 4.34Å; W30-F34 HydrophobicContact CB-CZ 4.37Å; W30-F34 WeakPolarHBondContact O-CZ 3.34Å; A32-F34 VanDerWaalsContact C-N 3.32Å; A32-F34 HydrophobicContact CB-CD1 3.95Å; A32-F34 HydrophobicContact CB-CE1 3.93Å; F34-I45 HydrophobicContact CD1-CD1 4.09Å; F34-I45 PolarHBondContact O-N 3.08Å; F34-R310 WeakPolarHBondContact CD2-O 3.14Å; F34-L333 HydrophobicContact CB-CD1 4.06Å | ||
| 35 | C | 98.2 | Very high | 96.7 | Very high | 5 Ų | 5 | 29.1 Ų | 29.1 | 3% | 0.034 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 132 | -174.6 | -172.7 | 0 | 0 | 0 | 0 | 108.4 | R33 L42 A43 L333 | R33-C35 PolarHBondContact O-N 2.98Å; C35-L42 VanDerWaalsContact SG-CD1 3.51Å; C35-A43 WeakPolarHBondContact CA-O 3.22Å; C35-L333 HydrophobicContact CB-CD1 3.74Å; C35-L333 HydrophobicContact CB-CD2 4.42Å; C35-L333 HydrophobicContact CB-CG 4Å |
| 36 | A | 98.7 | Very high | 96.7 | Very high | 4 Ų | 4 | 29.1 Ų | 29.1 | 3% | 0.033 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 138.1 | 173 | 0 | 0 | 0 | 0 | 0 | 108.9 | A43 I82 W84 | A36-A43 PolarHBondContact N-O 2.81Å; A36-A43 PolarHBondContact O-N 3.21Å; A36-I82 HydrophobicContact CB-CD1 4.27Å; A36-I82 HydrophobicContact CB-CG1 4.06Å; A36-W84 VanDerWaalsContact C-NE1 3.3Å; A36-W84 PolarHBondContact O-NE1 3.21Å |
| 37 | V | 98.7 | Very high | 96.5 | Very high | 8 Ų | 8 | 32.2 Ų | 32.2 | 5% | 0.048 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 146.5 | -178.6 | 61.8 | 0 | 0 | 0 | 0 | 109.5 | Y41 L42 I59 W84 W314 M315 P316 Y331 | V37-Y41 WeakPolarHBondContact CA-O 3.42Å; V37-Y41 WeakPolarHBondContact CG2-O 2.89Å; V37-L42 HydrophobicContact CB-CD1 4.18Å; V37-L42 HydrophobicContact CG2-CD1 4.47Å; V37-I59 HydrophobicContact CG2-CD1 3.97Å; V37-I59 HydrophobicContact CG2-CG1 4.48Å; V37-W84 VanDerWaalsContact C-CD1 3.49Å; V37-W314 WeakPolarHBondContact CG1-O 3.21Å; V37-M315 HydrophobicContact CG1-CB 4.47Å; V37-M315 HydrophobicContact CG2-CE 3.47Å; V37-M315 VanDerWaalsContact CG2-CE 3.47Å; V37-M315 HydrophobicContact CG2-SD 4.26Å; V37-P316 WeakPolarHBondContact O-CD 3.19Å; V37-Y331 HydrophobicContact CB-CD2 4.26Å; V37-Y331 HydrophobicContact CB-CE2 4.37Å; V37-Y331 HydrophobicContact CG1-CD2 3.77Å; V37-Y331 HydrophobicContact CG1-CE2 4.03Å; V37-Y331 HydrophobicContact CG1-CG 4.43Å; V37-Y331 HydrophobicContact CG2-CD2 4.19Å; V37-Y331 HydrophobicContact CG2-CE1 4.3Å; V37-Y331 HydrophobicContact CG2-CE2 3.81Å |
| 38 | N | 98 | Very high | 96.2 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.011 | 15% | 0.151 | C | C | . | . | trans | -134.4 | -174.9 | 170.6 | 72.6 | 12.7 | 0 | 0 | 0 | 108.8 | K40 Y41 I59 W84 D89 | N38-K40 PolarHBondContact O-N 3.38Å; N38-K40 VanDerWaalsContact O-N 3.13Å; N38-K40 PolarHBondContact OD1-N 3.26Å; N38-Y41 PolarHBondContact N-O 3.14Å; N38-Y41 PolarHBondContact OD1-N 2.74Å; N38-Y41 PolarHBondContact OD1-O 3.04Å; N38-I59 WeakPolarHBondContact O-CD1 3.37Å; N38-W84 HydrophobicContact CB-CB 4.19Å; N38-W84 HydrophobicContact CB-CD2 4.38Å; N38-W84 HydrophobicContact CB-CG 3.96Å; N38-W84 VanDerWaalsContact ND2-CD2 3.3Å; N38-W84 VanDerWaalsContact ND2-CE3 3.26Å; N38-D89 VanDerWaalsContact ND2-C 3.34Å; N38-D89 VanDerWaalsContact ND2-CA 3.29Å; N38-D89 WeakPolarHBondContact ND2-CA 3.33Å; N38-D89 PolarHBondContact ND2-O 3.46Å | ||
| 39 | P | 97 | Very high | 95.6 | Very high | 25 Ų | 25 | 31.8 Ų | 31.8 | 16% | 0.162 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -64 | -15.8 | -178.1 | -28 | 38.9 | 0 | 0 | 0 | 116.4 | R318 Y390 | P39-R318 HydrophobicContact CG-CB 3.6Å; P39-Y390 HydrophobicContact CB-CD1 4.19Å; P39-Y390 HydrophobicContact CB-CE1 4.09Å; P39-Y390 HydrophobicContact CG-CD1 4.27Å; P39-Y390 HydrophobicContact CG-CE1 4.03Å |
| 40 | K | 96.6 | Very high | 95.3 | Very high | 48 Ų | 48 | 29.7 Ų | 29.7 | 21% | 0.209 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -105.7 | -39.3 | -177.8 | -64.4 | -179.1 | 73 | 178.9 | 0 | 113.3 | N38 P58 I59 D89 D90 P392 | N38-K40 PolarHBondContact O-N 3.38Å; N38-K40 VanDerWaalsContact O-N 3.13Å; N38-K40 PolarHBondContact OD1-N 3.26Å; K40-P58 WeakPolarHBondContact O-CA 3.35Å; K40-I59 PolarHBondContact O-N 2.92Å; K40-D89 HydrophobicContact CD-CB 3.72Å; K40-D89 HydrophobicContact CG-CB 4.09Å; K40-D90 WeakPolarHBondContact CE-OD1 3.4Å; K40-D90 IonicContact NZ-OD1 3.83Å; K40-D90 PolarHBondContact NZ-OD1 3.33Å; K40-D90 IonicContact NZ-OD2 3.38Å; K40-D90 PolarHBondContact NZ-OD2 3.42Å; K40-P392 HydrophobicContact CD-CB 4.39Å; K40-P392 HydrophobicContact CG-CG 4.36Å |
| 41 | Y | 98.1 | Very high | 95.2 | Very high | 4 Ų | 4 | 28.1 Ų | 28.1 | 2% | 0.016 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 148.6 | -166.3 | -49.4 | -70 | 0 | 0 | 0 | 113.9 | V37 N38 V56 L57 P58 W84 D89 D90 I106 P107 | V37-Y41 WeakPolarHBondContact CA-O 3.42Å; V37-Y41 WeakPolarHBondContact CG2-O 2.89Å; N38-Y41 PolarHBondContact N-O 3.14Å; N38-Y41 PolarHBondContact OD1-N 2.74Å; N38-Y41 PolarHBondContact OD1-O 3.04Å; Y41-V56 HydrophobicContact CD1-CG1 4.28Å; Y41-V56 HydrophobicContact CG-CG1 4.13Å; Y41-L57 CarbonylContact C-O 3.54Å; Y41-L57 WeakPolarHBondContact CA-O 3.3Å; Y41-P58 HydrophobicContact CD1-CG 4.45Å; Y41-P58 HydrophobicContact CE1-CG 4.47Å; Y41-W84 VanDerWaalsContact CB-CZ2 3.44Å; Y41-W84 AromaticContact CD2-CH2 3.66Å; Y41-W84 HydrophobicContact CD2-CH2 3.66Å; Y41-W84 HydrophobicContact CD2-CZ2 4.33Å; Y41-W84 AromaticContact CD2-CZ3 3.94Å; Y41-W84 HydrophobicContact CD2-CZ3 3.94Å; Y41-W84 AromaticContact CG-CH2 3.92Å; Y41-W84 HydrophobicContact CG-CH2 3.92Å; Y41-W84 HydrophobicContact CG-CZ2 4.29Å; Y41-D89 VanDerWaalsContact CD2-O 3.29Å; Y41-D89 WeakPolarHBondContact CD2-O 3.4Å; Y41-D89 WeakPolarHBondContact CE2-O 3.1Å; Y41-D90 WeakPolarHBondContact CE2-OD1 3.22Å; Y41-D90 VanDerWaalsContact CZ-OD1 3.31Å; Y41-D90 PolarHBondContact OH-OD1 3.16Å; Y41-I106 HydrophobicContact CD1-CG2 4.46Å; Y41-I106 HydrophobicContact CD2-CG2 4.45Å; Y41-I106 HydrophobicContact CE1-CG2 4.12Å; Y41-I106 HydrophobicContact CE2-CB 4.34Å; Y41-I106 HydrophobicContact CE2-CG2 4.09Å; Y41-P107 PolarHBondContact OH-O 3.27Å |
| 42 | L | 98.5 | Very high | 95.4 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 124.6 | 166.2 | 172.9 | 62.7 | 0 | 0 | 0 | 109.1 | Y20 C35 V37 I44 V56 L57 Y331 | Y20-L42 HydrophobicContact CD1-CD2 4.09Å; Y20-L42 HydrophobicContact CD2-CD2 3.44Å; Y20-L42 VanDerWaalsContact CD2-CD2 3.44Å; Y20-L42 HydrophobicContact CE1-CD2 4.02Å; Y20-L42 HydrophobicContact CE2-CD2 3.38Å; Y20-L42 HydrophobicContact CG-CD2 3.82Å; C35-L42 VanDerWaalsContact SG-CD1 3.51Å; V37-L42 HydrophobicContact CB-CD1 4.18Å; V37-L42 HydrophobicContact CG2-CD1 4.47Å; L42-I44 HydrophobicContact CD1-CD1 4.24Å; L42-I44 HydrophobicContact CD1-CG1 4.11Å; L42-I44 HydrophobicContact CD2-CD1 3.83Å; L42-I44 HydrophobicContact CG-CD1 3.96Å; L42-I44 HydrophobicContact CG-CG1 4.1Å; L42-V56 CarbonylContact O-C 3.57Å; L42-V56 WeakPolarHBondContact O-CA 3.22Å; L42-L57 PolarHBondContact N-O 3.49Å; L42-L57 PolarHBondContact O-N 3.38Å; L42-Y331 HydrophobicContact CD1-CD1 3.65Å; L42-Y331 HydrophobicContact CD1-CE1 4.27Å; L42-Y331 HydrophobicContact CD1-CG 4.09Å; L42-Y331 HydrophobicContact CD2-CD1 3.89Å; L42-Y331 HydrophobicContact CD2-CE1 4.2Å; L42-Y331 HydrophobicContact CG-CD1 4.33Å |
| 43 | A | 98.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 132.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | C35 A36 F54 L55 V56 I82 W84 I92 | C35-A43 WeakPolarHBondContact CA-O 3.22Å; A36-A43 PolarHBondContact N-O 2.81Å; A36-A43 PolarHBondContact O-N 3.21Å; A43-F54 HydrophobicContact CB-CD2 4.31Å; A43-L55 CarbonylContact C-O 3.59Å; A43-L55 WeakPolarHBondContact CA-O 3.38Å; A43-V56 HydrophobicContact CB-CG2 4.15Å; A43-I82 HydrophobicContact CB-CD1 3.76Å; A43-W84 HydrophobicContact CB-CZ2 3.73Å; A43-I92 HydrophobicContact CB-CD1 3.57Å |
| 44 | I | 98.6 | Very high | 95.6 | Very high | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 127.1 | -176.8 | -65.4 | 168.7 | 0 | 0 | 0 | 109.8 | I23 I25 L42 T46 F54 L55 L333 C339 | I23-I44 HydrophobicContact CD1-CD1 3.55Å; I23-I44 HydrophobicContact CG2-CG2 4.07Å; I25-I44 HydrophobicContact CG1-CG2 4Å; L42-I44 HydrophobicContact CD1-CD1 4.24Å; L42-I44 HydrophobicContact CD1-CG1 4.11Å; L42-I44 HydrophobicContact CD2-CD1 3.83Å; L42-I44 HydrophobicContact CG-CD1 3.96Å; L42-I44 HydrophobicContact CG-CG1 4.1Å; I44-T46 PolarHBondContact O-N 2.79Å; I44-F54 CarbonylContact O-C 3.51Å; I44-F54 VanDerWaalsContact O-CA 3.3Å; I44-F54 WeakPolarHBondContact O-CA 3.43Å; I44-F54 WeakPolarHBondContact O-CB 3.44Å; I44-L55 PolarHBondContact N-O 2.88Å; I44-L55 PolarHBondContact O-N 2.87Å; I44-L333 HydrophobicContact CD1-CD2 3.67Å; I44-L333 HydrophobicContact CG1-CD2 3.94Å; I44-L333 HydrophobicContact CG2-CD1 3.94Å; I44-L333 HydrophobicContact CG2-CD2 4.16Å; I44-C339 HydrophobicContact CD1-CB 3.9Å |
| 45 | I | 98.4 | Very high | 95.7 | Very high | 2 Ų | 2 | 22.1 Ų | 22.1 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 126.3 | 176 | -57.7 | -177.6 | 0 | 0 | 0 | 109.9 | T26 F34 F54 V79 I82 | T26-I45 HydrophobicContact CG2-CB 3.94Å; T26-I45 HydrophobicContact CG2-CG2 3.77Å; T26-I45 PolarHBondContact N-O 2.94Å; F34-I45 HydrophobicContact CD1-CD1 4.09Å; F34-I45 PolarHBondContact O-N 3.08Å; I45-F54 HydrophobicContact CG1-CB 4.46Å; I45-V79 HydrophobicContact CD1-CG1 3.92Å; I45-V79 HydrophobicContact CG1-CG1 4.21Å; I45-V79 HydrophobicContact CG2-CB 4.13Å; I45-V79 WeakPolarHBondContact CG2-O 3.42Å; I45-I82 HydrophobicContact CD1-CG1 4.13Å; I45-I82 HydrophobicContact CD1-CG2 4.22Å; I45-I82 HydrophobicContact CG1-CD1 3.74Å; I45-I82 HydrophobicContact CG1-CG1 3.88Å; I45-I82 HydrophobicContact CG1-CG2 4.06Å |
| 46 | T | 97.4 | Very high | 95.7 | Very high | 13 Ų | 13 | 22 Ų | 22 | 8% | 0.08 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 155.8 | -175.3 | 53.1 | 0 | 0 | 0 | 0 | 112.4 | R24 I44 S53 L55 L71 | R24-T46 CarbonylContact O-C 3.57Å; R24-T46 WeakPolarHBondContact O-CA 3.1Å; R24-T46 WeakPolarHBondContact O-CB 3.48Å; I44-T46 PolarHBondContact O-N 2.79Å; T46-S53 PolarHBondContact N-O 2.93Å; T46-S53 VanDerWaalsContact N-O 3.09Å; T46-S53 VanDerWaalsContact OG1-C 3.28Å; T46-S53 PolarHBondContact OG1-O 3.23Å; T46-S53 PolarHBondContact OG1-OG 3.31Å; T46-L55 HydrophobicContact CG2-CB 3.85Å; T46-L71 HydrophobicContact CG2-CD2 4.3Å |
| 47 | E | 93.9 | Very high | 95.6 | Very high | 75 Ų | 75 | 22.8 Ų | 22.8 | 35% | 0.35 | 17% | 0.166 | S | C | . | . | trans | -66.6 | 132.4 | 162.5 | -64.9 | -171.9 | 111 | 0 | 0 | 110.3 | R24 K27 | R24-E47 PolarHBondContact O-N 2.93Å; K27-E47 WeakPolarHBondContact CB-OE1 3.28Å; K27-E47 WeakPolarHBondContact CD-OE1 3.4Å; K27-E47 WeakPolarHBondContact CE-OE1 3.41Å; K27-E47 HydrophobicContact CG-CG 4.39Å; K27-E47 WeakPolarHBondContact CG-OE1 3.17Å; K27-E47 IonicContact NZ-OE1 2.72Å; K27-E47 PolarHBondContact NZ-OE1 3.09Å; K27-E47 IonicContact NZ-OE2 3.97Å; K27-E47 PolarHBondContact NZ-OE2 3.25Å | ||
| 48 | A | 86.5 | Confident | 95.5 | Very high | 43 Ų | 43 | 23 Ų | 23 | 36% | 0.355 | 17% | 0.167 | S | C | . | . | trans | -119.3 | 139.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | G50 | A48-G50 PolarHBondContact O-N 3.44Š| ||
| 49 | A | 82 | Confident | 95.4 | Very high | 123 Ų | 123 | 24 Ų | 24 | 100% | 1.017 | 17% | 0.172 | S | C | * | . | S | Bend | trans | -69.7 | -23.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 50 | G | 86 | Confident | 95.3 | Very high | 64 Ų | 64 | 30.3 Ų | 30.3 | 66% | 0.66 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -158.9 | 148.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | A48 | A48-G50 PolarHBondContact O-N 3.44Š|
| 51 | G | 93.2 | Very high | 95.2 | Very high | 29 Ų | 29 | 34 Ų | 34 | 30% | 0.299 | 22% | 0.215 | S | C | . | . | S | Bend | trans | 73.1 | -156.4 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | H75 G77 | G51-H75 WeakPolarHBondContact CA-O 3.47Å; G51-G77 CarbonylContact C-O 3.55Å |
| 52 | G | 96.1 | Very high | 95.1 | Very high | 5 Ų | 5 | 36.9 Ų | 36.9 | 5% | 0.052 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 144.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | H75 G77 | G52-H75 PolarHBondContact N-O 3.2Å; G52-G77 WeakPolarHBondContact CA-O 3.31Å; G52-G77 PolarHBondContact N-O 2.94Å; G52-G77 VanDerWaalsContact N-O 3.14Å |
| 53 | S | 97.8 | Very high | 95.1 | Very high | 7 Ų | 7 | 37.7 Ų | 37.7 | 5% | 0.049 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 158 | -179.4 | 61 | 0 | 0 | 0 | 0 | 112.8 | T46 V72 | T46-S53 PolarHBondContact N-O 2.93Å; T46-S53 VanDerWaalsContact N-O 3.09Å; T46-S53 VanDerWaalsContact OG1-C 3.28Å; T46-S53 PolarHBondContact OG1-O 3.23Å; T46-S53 PolarHBondContact OG1-OG 3.31Å; S53-V72 WeakPolarHBondContact CA-O 3.19Å; S53-V72 VanDerWaalsContact CB-O 3.3Å; S53-V72 WeakPolarHBondContact CB-O 3.33Å |
| 54 | F | 98.5 | Very high | 95 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 0% | 0.004 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 149.1 | 167.3 | 60.8 | -87.2 | 0 | 0 | 0 | 110 | A43 I44 I45 V56 V72 V79 I82 I92 W104 | A43-F54 HydrophobicContact CB-CD2 4.31Å; I44-F54 CarbonylContact O-C 3.51Å; I44-F54 VanDerWaalsContact O-CA 3.3Å; I44-F54 WeakPolarHBondContact O-CA 3.43Å; I44-F54 WeakPolarHBondContact O-CB 3.44Å; I45-F54 HydrophobicContact CG1-CB 4.46Å; F54-V56 HydrophobicContact CD2-CG2 3.69Å; F54-V56 HydrophobicContact CE2-CG2 3.53Å; F54-V72 HydrophobicContact CD1-CB 4.02Å; F54-V72 HydrophobicContact CD1-CG1 4.33Å; F54-V72 HydrophobicContact CD2-CB 4.07Å; F54-V72 HydrophobicContact CD2-CG2 4.12Å; F54-V72 HydrophobicContact CE1-CB 3.61Å; F54-V72 HydrophobicContact CE1-CG1 3.51Å; F54-V72 HydrophobicContact CE1-CG2 4.36Å; F54-V72 HydrophobicContact CE2-CB 3.66Å; F54-V72 HydrophobicContact CE2-CG1 4.15Å; F54-V72 HydrophobicContact CE2-CG2 3.52Å; F54-V72 HydrophobicContact CG-CB 4.25Å; F54-V72 HydrophobicContact CZ-CB 3.43Å; F54-V72 VanDerWaalsContact CZ-CB 3.43Å; F54-V72 HydrophobicContact CZ-CG1 3.41Å; F54-V72 VanDerWaalsContact CZ-CG1 3.41Å; F54-V72 HydrophobicContact CZ-CG2 3.68Å; F54-V72 PolarHBondContact N-O 3.14Å; F54-V72 VanDerWaalsContact N-O 3.1Å; F54-V72 PolarHBondContact O-N 3.48Å; F54-V79 HydrophobicContact CD1-CG1 4.39Å; F54-V79 HydrophobicContact CD1-CG2 4.31Å; F54-I82 HydrophobicContact CD1-CG2 4.07Å; F54-I82 HydrophobicContact CE1-CG2 4.34Å; F54-I82 HydrophobicContact CG-CG2 4.18Å; F54-I92 HydrophobicContact CE2-CD1 3.96Å; F54-I92 HydrophobicContact CE2-CG2 4.07Å; F54-I92 HydrophobicContact CZ-CD1 4.49Å; F54-I92 HydrophobicContact CZ-CG2 4.04Å; F54-W104 AromaticContact CE1-NE1 3.78Å; F54-W104 AromaticContact CZ-CD1 3.66Å; F54-W104 HydrophobicContact CZ-CG 4.18Å; F54-W104 AromaticContact CZ-NE1 3.88Å |
| 55 | L | 98.2 | Very high | 94.8 | Very high | 4 Ų | 4 | 46.4 Ų | 46.4 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 144.3 | 174.6 | 177.5 | 65.5 | 0 | 0 | 0 | 109.1 | I23 A43 I44 T46 L57 V65 A69 L71 | I23-L55 HydrophobicContact CD1-CD2 4.24Å; I23-L55 HydrophobicContact CG1-CD2 4.31Å; I23-L55 HydrophobicContact CG2-CD2 4.07Å; A43-L55 CarbonylContact C-O 3.59Å; A43-L55 WeakPolarHBondContact CA-O 3.38Å; I44-L55 PolarHBondContact N-O 2.88Å; I44-L55 PolarHBondContact O-N 2.87Å; T46-L55 HydrophobicContact CG2-CB 3.85Å; L55-L57 HydrophobicContact CD1-CD2 3.97Å; L55-L57 HydrophobicContact CD1-CG 4.18Å; L55-L57 HydrophobicContact CD2-CD1 3.86Å; L55-L57 HydrophobicContact CD2-CD2 4.41Å; L55-L57 HydrophobicContact CD2-CG 3.94Å; L55-L57 HydrophobicContact CG-CD1 4.41Å; L55-L57 HydrophobicContact CG-CD2 4.29Å; L55-L57 HydrophobicContact CG-CG 3.93Å; L55-V65 HydrophobicContact CD1-CG1 4.46Å; L55-V65 HydrophobicContact CD2-CG1 4.06Å; L55-V65 HydrophobicContact CD2-CG2 4.43Å; L55-A69 HydrophobicContact CD1-CB 4.18Å; L55-L71 HydrophobicContact CB-CD2 3.99Å; L55-L71 HydrophobicContact CD1-CD2 3.99Å |
| 56 | V | 98.3 | Very high | 94.6 | Very high | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.024 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 122 | 168 | -179.1 | 0 | 0 | 0 | 0 | 108.7 | Y41 L42 A43 F54 V72 W84 I106 L111 | Y41-V56 HydrophobicContact CD1-CG1 4.28Å; Y41-V56 HydrophobicContact CG-CG1 4.13Å; L42-V56 CarbonylContact O-C 3.57Å; L42-V56 WeakPolarHBondContact O-CA 3.22Å; A43-V56 HydrophobicContact CB-CG2 4.15Å; F54-V56 HydrophobicContact CD2-CG2 3.69Å; F54-V56 HydrophobicContact CE2-CG2 3.53Å; V56-V72 HydrophobicContact CG2-CG2 3.88Å; V56-W84 HydrophobicContact CG1-CH2 3.85Å; V56-W84 HydrophobicContact CG1-CZ2 4.12Å; V56-I106 HydrophobicContact CG1-CD1 4.36Å; V56-I106 HydrophobicContact CG1-CG1 4.33Å; V56-I106 HydrophobicContact CG1-CG2 4.12Å; V56-I106 HydrophobicContact CG2-CD1 4.13Å; V56-L111 HydrophobicContact CB-CD1 4.17Å; V56-L111 HydrophobicContact CB-CG 4.3Å |
| 57 | L | 97.3 | Very high | 94.3 | Very high | 20 Ų | 20 | 62 Ų | 62 | 11% | 0.105 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 138.2 | 178.1 | -64 | 176.4 | 0 | 0 | 0 | 110.2 | Y20 Y41 L42 L55 V65 | Y20-L57 HydrophobicContact CD1-CD1 3.69Å; Y20-L57 HydrophobicContact CE1-CD1 4.28Å; Y20-L57 HydrophobicContact CG-CD1 4.49Å; Y41-L57 CarbonylContact C-O 3.54Å; Y41-L57 WeakPolarHBondContact CA-O 3.3Å; L42-L57 PolarHBondContact N-O 3.49Å; L42-L57 PolarHBondContact O-N 3.38Å; L55-L57 HydrophobicContact CD1-CD2 3.97Å; L55-L57 HydrophobicContact CD1-CG 4.18Å; L55-L57 HydrophobicContact CD2-CD1 3.86Å; L55-L57 HydrophobicContact CD2-CD2 4.41Å; L55-L57 HydrophobicContact CD2-CG 3.94Å; L55-L57 HydrophobicContact CG-CD1 4.41Å; L55-L57 HydrophobicContact CG-CD2 4.29Å; L55-L57 HydrophobicContact CG-CG 3.93Å; L57-V65 HydrophobicContact CD1-CG2 3.69Å |
| 58 | P | 97 | Very high | 94.2 | Very high | 11 Ų | 11 | 62.4 Ų | 62.4 | 7% | 0.071 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.7 | 141.3 | 158.9 | -22 | 33 | 0 | 0 | 0 | 110.7 | K40 Y41 E60 K61 G109 | K40-P58 WeakPolarHBondContact O-CA 3.35Å; Y41-P58 HydrophobicContact CD1-CG 4.45Å; Y41-P58 HydrophobicContact CE1-CG 4.47Å; P58-E60 VanDerWaalsContact C-N 3.25Å; P58-E60 PolarHBondContact O-N 3.13Å; P58-K61 HydrophobicContact CB-CD 4.47Å; P58-K61 HydrophobicContact CB-CG 4.17Å; P58-K61 HydrophobicContact CG-CD 4.04Å; P58-K61 HydrophobicContact CG-CG 4.29Å; P58-K61 PolarHBondContact O-N 3.32Å; P58-G109 WeakPolarHBondContact CG-O 3.31Å |
| 59 | I | 95.8 | Very high | 94.6 | Very high | 24 Ų | 24 | 61.2 Ų | 61.2 | 12% | 0.123 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -33.7 | -174.2 | -79.2 | 166.8 | 0 | 0 | 0 | 112.5 | Y20 V37 N38 K40 K61 M315 | Y20-I59 PolarHBondContact OH-O 3.41Å; V37-I59 HydrophobicContact CG2-CD1 3.97Å; V37-I59 HydrophobicContact CG2-CG1 4.48Å; N38-I59 WeakPolarHBondContact O-CD1 3.37Å; K40-I59 PolarHBondContact O-N 2.92Å; I59-K61 PolarHBondContact O-N 3.2Å; I59-M315 HydrophobicContact CD1-CE 3.61Å |
| 60 | E | 94.5 | Very high | 95.3 | Very high | 158 Ų | 158 | 56.3 Ų | 56.3 | 74% | 0.738 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -14.2 | 179.9 | -47.6 | 96.8 | 176.3 | 0 | 0 | 113.1 | P58 V62 | P58-E60 VanDerWaalsContact C-N 3.25Å; P58-E60 PolarHBondContact O-N 3.13Å; E60-V62 PolarHBondContact O-N 3.18Å |
| 61 | K | 94.8 | Very high | 95.8 | Very high | 124 Ų | 124 | 55.3 Ų | 55.3 | 54% | 0.539 | 27% | 0.271 | S | S | . | . | trans | -81.6 | 60.7 | 179.6 | -66.7 | -165.4 | -174.2 | 172.6 | 0 | 112.3 | Y20 P58 I59 | Y20-K61 WeakPolarHBondContact CD1-O 3.31Å; Y20-K61 VanDerWaalsContact CE1-O 3.31Å; Y20-K61 WeakPolarHBondContact CE1-O 3.36Å; P58-K61 HydrophobicContact CB-CD 4.47Å; P58-K61 HydrophobicContact CB-CG 4.17Å; P58-K61 HydrophobicContact CG-CD 4.04Å; P58-K61 HydrophobicContact CG-CG 4.29Å; P58-K61 PolarHBondContact O-N 3.32Å; I59-K61 PolarHBondContact O-N 3.2Å | ||
| 62 | V | 96.7 | Very high | 96.1 | Very high | 66 Ų | 66 | 54 Ų | 54 | 40% | 0.4 | 26% | 0.257 | S | S | . | . | trans | -74 | 166.5 | 172 | -61.9 | 0 | 0 | 0 | 0 | 111.8 | E17 Y20 E60 | E17-V62 WeakPolarHBondContact O-CG2 3.36Å; Y20-V62 HydrophobicContact CE1-CG1 4.04Å; Y20-V62 HydrophobicContact CE2-CG1 4.42Å; E60-V62 PolarHBondContact O-N 3.18Å | ||
| 63 | G | 96.7 | Very high | 96.1 | Very high | 17 Ų | 17 | 55.1 Ų | 55.1 | 18% | 0.175 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 98.2 | -153.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113 | C19 Y20 E21 V65 | C19-G63 WeakPolarHBondContact O-CA 3.17Å; C19-G63 PolarHBondContact O-N 2.77Å; Y20-G63 WeakPolarHBondContact CA-O 3.12Å; E21-G63 PolarHBondContact N-O 2.99Å; G63-V65 PolarHBondContact O-N 2.88Å |
| 64 | R | 97 | Very high | 95.9 | Very high | 171 Ų | 171 | 55.8 Ų | 55.8 | 65% | 0.645 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 123 | -175.5 | -170.7 | -175.6 | -170.5 | 179.4 | 10.1 | 111.5 | D22 | D22-R64 HydrophobicContact CB-CG 4.13Å; D22-R64 IonicContact OD2-CZ 3.21Å; D22-R64 IonicContact OD2-NE 2.7Å; D22-R64 PolarHBondContact OD2-NE 3.45Å; D22-R64 IonicContact OD2-NH2 2.85Å; D22-R64 PolarHBondContact OD2-NH2 2.78Å |
| 65 | V | 95.9 | Very high | 95.9 | Very high | 14 Ų | 14 | 56 Ų | 56 | 9% | 0.085 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -77.3 | 129.9 | 173.1 | -176.9 | 0 | 0 | 0 | 0 | 109.9 | E21 I23 L55 L57 G63 A69 | E21-V65 WeakPolarHBondContact O-CB 3.45Å; E21-V65 WeakPolarHBondContact O-CG2 3.18Å; E21-V65 PolarHBondContact O-N 2.81Å; I23-V65 HydrophobicContact CD1-CG2 4.21Å; I23-V65 HydrophobicContact CG1-CB 4.36Å; I23-V65 HydrophobicContact CG1-CG2 3.8Å; L55-V65 HydrophobicContact CD1-CG1 4.46Å; L55-V65 HydrophobicContact CD2-CG1 4.06Å; L55-V65 HydrophobicContact CD2-CG2 4.43Å; L57-V65 HydrophobicContact CD1-CG2 3.69Å; G63-V65 PolarHBondContact O-N 2.88Å; V65-A69 HydrophobicContact CG1-CB 3.69Å |
| 66 | E | 93.7 | Very high | 95.9 | Very high | 139 Ų | 139 | 59.1 Ų | 59.1 | 65% | 0.65 | 30% | 0.295 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 144.8 | 177.3 | -64.7 | -179 | 167.2 | 0 | 0 | 111.1 | D68 A69 | E66-D68 PolarHBondContact O-N 2.84Å; E66-A69 VanDerWaalsContact O-CB 3.23Å; E66-A69 WeakPolarHBondContact O-CB 3.21Å; E66-A69 PolarHBondContact O-N 2.64Å; E66-A69 VanDerWaalsContact O-N 3.09Å |
| 67 | R | 90.6 | Very high | 95.8 | Very high | 203 Ų | 203 | 59.6 Ų | 59.6 | 77% | 0.766 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -26.6 | -176.8 | -71.1 | -174.4 | 177.4 | -155.9 | -0 | 113.3 | ||
| 68 | D | 92.1 | Very high | 95.8 | Very high | 84 Ų | 84 | 60.9 Ų | 60.9 | 45% | 0.449 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 20.2 | 177 | 63 | -35.5 | 0 | 0 | 0 | 112.4 | E66 K114 | E66-D68 PolarHBondContact O-N 2.84Å; D68-K114 VanDerWaalsContact OD2-CE 3.3Å; D68-K114 WeakPolarHBondContact OD2-CE 3.32Å; D68-K114 IonicContact OD2-NZ 3.29Å |
| 69 | A | 94.7 | Very high | 95.8 | Very high | 18 Ų | 18 | 60.5 Ų | 60.5 | 15% | 0.149 | 31% | 0.308 | C | S | . | . | trans | -53.3 | 132.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | L55 V65 E66 | L55-A69 HydrophobicContact CD1-CB 4.18Å; V65-A69 HydrophobicContact CG1-CB 3.69Å; E66-A69 VanDerWaalsContact O-CB 3.23Å; E66-A69 WeakPolarHBondContact O-CB 3.21Å; E66-A69 PolarHBondContact O-N 2.64Å; E66-A69 VanDerWaalsContact O-N 3.09Å | ||
| 70 | P | 96 | Very high | 96 | Very high | 20 Ų | 20 | 59.4 Ų | 59.4 | 13% | 0.13 | 30% | 0.303 | C | S | . | . | trans | -62.3 | 145.3 | -179.7 | 28.6 | -37.3 | 0 | 0 | 0 | 111 | L111 L112 T115 | P70-L111 HydrophobicContact CB-CB 3.91Å; P70-L111 HydrophobicContact CB-CD1 4.25Å; P70-L111 HydrophobicContact CG-CB 3.6Å; P70-L111 HydrophobicContact CG-CD1 4.4Å; P70-L111 WeakPolarHBondContact O-CD1 3.17Å; P70-L112 WeakPolarHBondContact CB-O 3.45Å; P70-L112 WeakPolarHBondContact CG-O 3.47Å; P70-T115 VanDerWaalsContact CB-O 3.29Å; P70-T115 WeakPolarHBondContact CB-O 3.35Å | ||
| 71 | L | 97.3 | Very high | 96.1 | Very high | 42 Ų | 42 | 52.5 Ų | 52.5 | 22% | 0.22 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 158.8 | 179.5 | -57.9 | 175.8 | 0 | 0 | 0 | 110.6 | T46 L55 A73 N116 L117 | T46-L71 HydrophobicContact CG2-CD2 4.3Å; L55-L71 HydrophobicContact CB-CD2 3.99Å; L55-L71 HydrophobicContact CD1-CD2 3.99Å; L71-A73 HydrophobicContact CB-CB 4.37Å; L71-N116 PolarHBondContact N-OD1 2.78Å; L71-N116 CarbonylContact O-C 3.59Å; L71-N116 WeakPolarHBondContact O-CA 3.33Å; L71-N116 WeakPolarHBondContact O-CB 3.39Å; L71-L117 PolarHBondContact O-N 3.29Å |
| 72 | V | 98.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 114.6 | 158.8 | -174.7 | 0 | 0 | 0 | 0 | 107.1 | S53 F54 V56 W104 I106 L111 L117 | S53-V72 WeakPolarHBondContact CA-O 3.19Å; S53-V72 VanDerWaalsContact CB-O 3.3Å; S53-V72 WeakPolarHBondContact CB-O 3.33Å; F54-V72 HydrophobicContact CD1-CB 4.02Å; F54-V72 HydrophobicContact CD1-CG1 4.33Å; F54-V72 HydrophobicContact CD2-CB 4.07Å; F54-V72 HydrophobicContact CD2-CG2 4.12Å; F54-V72 HydrophobicContact CE1-CB 3.61Å; F54-V72 HydrophobicContact CE1-CG1 3.51Å; F54-V72 HydrophobicContact CE1-CG2 4.36Å; F54-V72 HydrophobicContact CE2-CB 3.66Å; F54-V72 HydrophobicContact CE2-CG1 4.15Å; F54-V72 HydrophobicContact CE2-CG2 3.52Å; F54-V72 HydrophobicContact CG-CB 4.25Å; F54-V72 HydrophobicContact CZ-CB 3.43Å; F54-V72 VanDerWaalsContact CZ-CB 3.43Å; F54-V72 HydrophobicContact CZ-CG1 3.41Å; F54-V72 VanDerWaalsContact CZ-CG1 3.41Å; F54-V72 HydrophobicContact CZ-CG2 3.68Å; F54-V72 PolarHBondContact N-O 3.14Å; F54-V72 VanDerWaalsContact N-O 3.1Å; F54-V72 PolarHBondContact O-N 3.48Å; V56-V72 HydrophobicContact CG2-CG2 3.88Å; V72-W104 HydrophobicContact CG1-CB 4.48Å; V72-W104 HydrophobicContact CG1-CD2 3.3Å; V72-W104 HydrophobicContact CG1-CE3 3.49Å; V72-W104 VanDerWaalsContact CG1-CE3 3.49Å; V72-W104 HydrophobicContact CG1-CG 3.76Å; V72-W104 HydrophobicContact CG1-CH2 4.13Å; V72-W104 HydrophobicContact CG1-CZ2 3.93Å; V72-W104 HydrophobicContact CG1-CZ3 3.9Å; V72-I106 HydrophobicContact CG2-CD1 4.2Å; V72-L111 HydrophobicContact CG2-CD1 4.11Å; V72-L111 HydrophobicContact CG2-CD2 4.2Å; V72-L117 CarbonylContact C-O 3.56Å; V72-L117 WeakPolarHBondContact CA-O 3.3Å; V72-L117 HydrophobicContact CG1-CD2 4.42Å; V72-L117 HydrophobicContact CG2-CB 4.33Å; V72-L117 HydrophobicContact CG2-CD2 4.23Å |
| 73 | A | 96.5 | Very high | 96.4 | Very high | 30 Ų | 30 | 46.5 Ų | 46.5 | 25% | 0.248 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 38.3 | -162.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L71 N116 L117 | L71-A73 HydrophobicContact CB-CB 4.37Å; A73-N116 HydrophobicContact CB-CB 4.16Å; A73-L117 PolarHBondContact N-O 2.92Å |
| 74 | G | 94.8 | Very high | 96.5 | Very high | 20 Ų | 20 | 46 Ų | 46 | 21% | 0.206 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | -1.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | T118 | G74-T118 WeakPolarHBondContact CA-O 3.39Å |
| 75 | H | 98 | Very high | 96.6 | Very high | 7 Ų | 7 | 38.1 Ų | 38.1 | 3% | 0.032 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 147.1 | 173.2 | -84.5 | -66 | 0 | 0 | 0 | 112.1 | G51 G52 V79 S94 S96 D98 T100 W104 | G51-H75 WeakPolarHBondContact CA-O 3.47Å; G52-H75 PolarHBondContact N-O 3.2Å; H75-V79 HydrophobicContact CB-CG2 4.19Å; H75-S94 PolarHBondContact CD2-OG 3.23Å; H75-S94 PolarHBondContact NE2-O 2.67Å; H75-S94 PolarHBondContact NE2-OG 3.45Å; H75-S96 WeakPolarHBondContact CE1-CB 3.38Å; H75-S96 WeakPolarHBondContact ND1-CB 3.5Å; H75-S96 PolarHBondContact ND1-OG 3.27Å; H75-D98 IonicContact CE1-OD1 2.67Å; H75-D98 IonicContact CG-OD2 3.88Å; H75-D98 IonicContact ND1-OD1 3.52Å; H75-D98 PolarHBondContact ND1-OD1 3.17Å; H75-D98 IonicContact ND1-OD2 2.73Å; H75-D98 PolarHBondContact ND1-OD2 2.99Å; H75-T100 PolarHBondContact CE1-OG1 3.37Å; H75-T100 VanDerWaalsContact CE1-OG1 3.24Å; H75-T100 PolarHBondContact ND1-OG1 3.09Å; H75-W104 AromaticContact CD2-CZ2 3.97Å |
| 76 | T | 97.1 | Very high | 96.7 | Very high | 69 Ų | 69 | 39.2 Ų | 39.2 | 42% | 0.423 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -105 | -1.4 | -175.9 | 59.9 | 0 | 0 | 0 | 0 | 113.2 | D98 | T76-D98 PolarHBondContact N-OD2 2.82Å; T76-D98 VanDerWaalsContact OG1-CB 3.28Å; T76-D98 WeakPolarHBondContact OG1-CB 3.33Å; T76-D98 PolarHBondContact OG1-OD2 2.9Å |
| 77 | G | 96.7 | Very high | 96.9 | Very high | 13 Ų | 13 | 32.9 Ų | 32.9 | 13% | 0.134 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -138.6 | 171.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | G51 G52 V79 S96 | G51-G77 CarbonylContact C-O 3.55Å; G52-G77 WeakPolarHBondContact CA-O 3.31Å; G52-G77 PolarHBondContact N-O 2.94Å; G52-G77 VanDerWaalsContact N-O 3.14Å; G77-V79 PolarHBondContact O-N 3.23Å; G77-S96 PolarHBondContact O-OG 3.15Å |
| 78 | S | 97.2 | Very high | 97.1 | Very high | 48 Ų | 48 | 25.1 Ų | 25.1 | 34% | 0.336 | 16% | 0.155 | S | C | . | . | trans | -57 | 136.8 | -174.9 | -43.4 | 0 | 0 | 0 | 0 | 111.9 | S96 E97 | S78-S96 CarbonylContact O-C 3.45Å; S78-S96 WeakPolarHBondContact O-CA 3.44Å; S78-E97 WeakPolarHBondContact CB-OE2 3.49Å; S78-E97 PolarHBondContact O-N 3.07Å; S78-E97 PolarHBondContact OG-OE2 2.97Å | ||
| 79 | V | 98.5 | Very high | 97.4 | Very high | 3 Ų | 3 | 21.6 Ų | 21.6 | 2% | 0.018 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 131.4 | 170.7 | -177.5 | 0 | 0 | 0 | 0 | 108.5 | I45 F54 H75 G77 I82 | I45-V79 HydrophobicContact CD1-CG1 3.92Å; I45-V79 HydrophobicContact CG1-CG1 4.21Å; I45-V79 HydrophobicContact CG2-CB 4.13Å; I45-V79 WeakPolarHBondContact CG2-O 3.42Å; F54-V79 HydrophobicContact CD1-CG1 4.39Å; F54-V79 HydrophobicContact CD1-CG2 4.31Å; H75-V79 HydrophobicContact CB-CG2 4.19Å; G77-V79 PolarHBondContact O-N 3.23Å; V79-I82 HydrophobicContact CG1-CG2 3.66Å |
| 80 | L | 98 | Very high | 97.5 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | -32.2 | -175.6 | -63.2 | -178.3 | 0 | 0 | 0 | 112.5 | W30 A32 G95 E97 R130 | W30-L80 HydrophobicContact CB-CD2 4.12Å; W30-L80 HydrophobicContact CD2-CD1 4.27Å; W30-L80 HydrophobicContact CD2-CD2 4.44Å; W30-L80 HydrophobicContact CE3-CD1 4.5Å; W30-L80 HydrophobicContact CG-CB 4.39Å; W30-L80 HydrophobicContact CG-CD2 4.1Å; A32-L80 VanDerWaalsContact CB-O 3.32Å; A32-L80 WeakPolarHBondContact CB-O 3.44Å; L80-G95 PolarHBondContact N-O 3.1Å; L80-E97 HydrophobicContact CD1-CG 3.86Å; L80-E97 HydrophobicContact CD2-CG 3.94Å; L80-E97 HydrophobicContact CG-CG 3.98Å; L80-R130 HydrophobicContact CD1-CB 3.91Å; L80-R130 HydrophobicContact CD1-CG 4.09Å |
| 81 | D | 98.6 | Very high | 97.6 | Very high | 13 Ų | 13 | 21.3 Ų | 21.3 | 7% | 0.07 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 150.2 | 179.7 | -165.4 | 24.6 | 0 | 0 | 0 | 111.5 | S94 G95 L133 V134 | D81-S94 WeakPolarHBondContact O-CA 3.39Å; D81-G95 PolarHBondContact N-O 2.85Å; D81-G95 PolarHBondContact O-N 2.88Å; D81-L133 WeakPolarHBondContact OD2-CA 3.44Å; D81-V134 HydrophobicContact CB-CG2 4.19Å; D81-V134 PolarHBondContact OD2-N 2.73Å |
| 82 | I | 98.8 | Very high | 97.6 | Very high | 3 Ų | 3 | 19.3 Ų | 19.3 | 2% | 0.015 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 138.3 | 179.4 | 54.7 | 173.4 | 0 | 0 | 0 | 110.2 | A36 A43 I45 F54 V79 I92 A93 | A36-I82 HydrophobicContact CB-CD1 4.27Å; A36-I82 HydrophobicContact CB-CG1 4.06Å; A43-I82 HydrophobicContact CB-CD1 3.76Å; I45-I82 HydrophobicContact CD1-CG1 4.13Å; I45-I82 HydrophobicContact CD1-CG2 4.22Å; I45-I82 HydrophobicContact CG1-CD1 3.74Å; I45-I82 HydrophobicContact CG1-CG1 3.88Å; I45-I82 HydrophobicContact CG1-CG2 4.06Å; F54-I82 HydrophobicContact CD1-CG2 4.07Å; F54-I82 HydrophobicContact CE1-CG2 4.34Å; F54-I82 HydrophobicContact CG-CG2 4.18Å; V79-I82 HydrophobicContact CG1-CG2 3.66Å; I82-I92 HydrophobicContact CB-CD1 4.17Å; I82-A93 VanDerWaalsContact CA-O 3.29Å; I82-A93 WeakPolarHBondContact CA-O 3.46Å |
| 83 | Q | 98.7 | Very high | 97.7 | Very high | 60 Ų | 60 | 19.3 Ų | 19.3 | 28% | 0.28 | 12% | 0.121 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 128.5 | 178.8 | -171 | 62.2 | 39.2 | 0 | 0 | 111.6 | A93 V134 W136 | Q83-A93 PolarHBondContact N-O 3.3Å; Q83-A93 PolarHBondContact O-N 2.66Å; Q83-V134 HydrophobicContact CB-CG2 4.22Å; Q83-W136 PolarHBondContact O-NE1 2.87Å |
| 84 | W | 98.7 | Very high | 97.8 | Very high | 8 Ų | 8 | 17.9 Ų | 17.9 | 3% | 0.03 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 142.3 | 172.3 | -67.4 | 107.2 | 0 | 0 | 0 | 111 | A36 V37 N38 Y41 A43 V56 I92 I106 | A36-W84 VanDerWaalsContact C-NE1 3.3Å; A36-W84 PolarHBondContact O-NE1 3.21Å; V37-W84 VanDerWaalsContact C-CD1 3.49Å; N38-W84 HydrophobicContact CB-CB 4.19Å; N38-W84 HydrophobicContact CB-CD2 4.38Å; N38-W84 HydrophobicContact CB-CG 3.96Å; N38-W84 VanDerWaalsContact ND2-CD2 3.3Å; N38-W84 VanDerWaalsContact ND2-CE3 3.26Å; Y41-W84 VanDerWaalsContact CB-CZ2 3.44Å; Y41-W84 AromaticContact CD2-CH2 3.66Å; Y41-W84 HydrophobicContact CD2-CH2 3.66Å; Y41-W84 HydrophobicContact CD2-CZ2 4.33Å; Y41-W84 AromaticContact CD2-CZ3 3.94Å; Y41-W84 HydrophobicContact CD2-CZ3 3.94Å; Y41-W84 AromaticContact CG-CH2 3.92Å; Y41-W84 HydrophobicContact CG-CH2 3.92Å; Y41-W84 HydrophobicContact CG-CZ2 4.29Å; A43-W84 HydrophobicContact CB-CZ2 3.73Å; V56-W84 HydrophobicContact CG1-CH2 3.85Å; V56-W84 HydrophobicContact CG1-CZ2 4.12Å; W84-I92 HydrophobicContact CD2-CB 4.06Å; W84-I92 HydrophobicContact CD2-CD1 3.97Å; W84-I92 HydrophobicContact CD2-CG1 4.2Å; W84-I92 HydrophobicContact CE3-CB 3.61Å; W84-I92 HydrophobicContact CE3-CD1 4.32Å; W84-I92 HydrophobicContact CE3-CG1 4.26Å; W84-I92 HydrophobicContact CE3-CG2 4.46Å; W84-I92 HydrophobicContact CG-CD1 4.48Å; W84-I92 HydrophobicContact CH2-CB 4.28Å; W84-I92 HydrophobicContact CH2-CD1 4.27Å; W84-I92 HydrophobicContact CH2-CG2 4.39Å; W84-I92 HydrophobicContact CZ2-CD1 3.92Å; W84-I92 HydrophobicContact CZ3-CB 3.73Å; W84-I92 HydrophobicContact CZ3-CD1 4.46Å; W84-I92 HydrophobicContact CZ3-CG2 4.09Å; W84-I106 HydrophobicContact CH2-CG1 3.8Å; W84-I106 HydrophobicContact CZ3-CG1 3.82Å |
| 85 | C | 98.5 | Very high | 98 | Very high | 4 Ų | 4 | 16.9 Ų | 16.9 | 3% | 0.027 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 128.9 | 170.9 | -179.4 | 0 | 0 | 0 | 0 | 109.5 | H87 N88 L91 W136 | C85-H87 PolarHBondContact O-N 2.65Å; C85-H87 PolarHBondContact SG-N 3.44Å; C85-N88 HydrophobicContact CB-CB 4.37Å; C85-N88 PolarHBondContact O-N 3.05Å; C85-L91 HydrophobicContact CB-CB 3.89Å; C85-L91 HydrophobicContact CB-CD2 4.09Å; C85-L91 HydrophobicContact CB-CG 4.37Å; C85-L91 WeakPolarHBondContact CB-O 3.45Å; C85-L91 PolarHBondContact N-O 3.14Å; C85-W136 HydrophobicContact CB-CD2 4.12Å; C85-W136 HydrophobicContact CB-CH2 4.46Å; C85-W136 HydrophobicContact CB-CZ2 4.03Å |
| 86 | P | 97.6 | Very high | 98 | Very high | 37 Ų | 37 | 16.6 Ų | 16.6 | 24% | 0.24 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -24.1 | 178.3 | 26 | -33.4 | 0 | 0 | 0 | 112.4 | W136 H137 R318 | P86-W136 HydrophobicContact CG-CB 4.1Å; P86-H137 WeakPolarHBondContact CG-O 3.29Å; P86-R318 PolarHBondContact O-NH2 2.9Å |
| 87 | H | 97.4 | Very high | 98 | Very high | 7 Ų | 7 | 16.5 Ų | 16.5 | 3% | 0.032 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 4.5 | -173.9 | -42.1 | 129.5 | 0 | 0 | 0 | 115 | C85 H137 P138 D364 P366 K395 | C85-H87 PolarHBondContact O-N 2.65Å; C85-H87 PolarHBondContact SG-N 3.44Å; H87-H137 PolarHBondContact CE1-O 3.28Å; H87-P138 PolarHBondContact NE2-O 3.44Å; H87-D364 CarbonylContact C-O 3.51Å; H87-D364 WeakPolarHBondContact CA-O 3Å; H87-D364 WeakPolarHBondContact CB-O 3.35Å; H87-P366 HydrophobicContact CB-CB 4.48Å; H87-K395 PolarHBondContact O-NZ 3.17Å |
| 88 | N | 96.3 | Very high | 98 | Very high | 39 Ų | 39 | 16.7 Ų | 16.7 | 21% | 0.209 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 106.9 | 177.2 | -175.8 | -14.3 | 0 | 0 | 0 | 110.1 | C85 D90 L91 | C85-N88 HydrophobicContact CB-CB 4.37Å; C85-N88 PolarHBondContact O-N 3.05Å; N88-D90 PolarHBondContact O-N 3.02Å; N88-D90 VanDerWaalsContact O-N 3.11Å; N88-D90 PolarHBondContact OD1-N 3.18Å; N88-L91 HydrophobicContact CB-CB 3.89Å; N88-L91 PolarHBondContact O-N 3.29Å |
| 89 | D | 96.9 | Very high | 98.1 | Very high | 10 Ų | 10 | 14.8 Ų | 14.8 | 5% | 0.053 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | -8.1 | -177.9 | -71.5 | -16.6 | 0 | 0 | 0 | 114 | N38 K40 Y41 R318 Y390 | N38-D89 VanDerWaalsContact ND2-C 3.34Å; N38-D89 VanDerWaalsContact ND2-CA 3.29Å; N38-D89 WeakPolarHBondContact ND2-CA 3.33Å; N38-D89 PolarHBondContact ND2-O 3.46Å; K40-D89 HydrophobicContact CD-CB 3.72Å; K40-D89 HydrophobicContact CG-CB 4.09Å; Y41-D89 VanDerWaalsContact CD2-O 3.29Å; Y41-D89 WeakPolarHBondContact CD2-O 3.4Å; Y41-D89 WeakPolarHBondContact CE2-O 3.1Å; D89-R318 VanDerWaalsContact CG-NH1 3.27Å; D89-R318 IonicContact OD1-CZ 2.83Å; D89-R318 IonicContact OD1-NH1 2.72Å; D89-R318 PolarHBondContact OD1-NH1 2.86Å; D89-R318 IonicContact OD1-NH2 3.87Å; D89-R318 PolarHBondContact OD1-NH2 3.29Å; D89-R318 IonicContact OD2-CZ 3.37Å; D89-R318 IonicContact OD2-NH1 2.91Å; D89-R318 PolarHBondContact OD2-NH1 2.84Å; D89-Y390 PolarHBondContact OD2-OH 3.3Å |
| 90 | D | 97.3 | Very high | 98.1 | Very high | 31 Ų | 31 | 14.9 Ų | 14.9 | 17% | 0.166 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 4.3 | 175 | -61.8 | -66.4 | 0 | 0 | 0 | 112.6 | K40 Y41 N88 Q105 I106 | K40-D90 WeakPolarHBondContact CE-OD1 3.4Å; K40-D90 IonicContact NZ-OD1 3.83Å; K40-D90 PolarHBondContact NZ-OD1 3.33Å; K40-D90 IonicContact NZ-OD2 3.38Å; K40-D90 PolarHBondContact NZ-OD2 3.42Å; Y41-D90 WeakPolarHBondContact CE2-OD1 3.22Å; Y41-D90 VanDerWaalsContact CZ-OD1 3.31Å; Y41-D90 PolarHBondContact OH-OD1 3.16Å; N88-D90 PolarHBondContact O-N 3.02Å; N88-D90 VanDerWaalsContact O-N 3.11Å; N88-D90 PolarHBondContact OD1-N 3.18Å; D90-Q105 CarbonylContact O-C 3.53Å; D90-Q105 WeakPolarHBondContact O-CA 3.41Å; D90-Q105 PolarHBondContact O-NE2 2.83Å; D90-I106 PolarHBondContact O-N 2.7Å |
| 91 | L | 98 | Very high | 98.1 | Very high | 2 Ų | 2 | 14.9 Ų | 14.9 | 1% | 0.01 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 126.9 | -177.2 | -162.6 | 76.6 | 0 | 0 | 0 | 111.6 | C85 N88 V103 W104 V121 W136 | C85-L91 HydrophobicContact CB-CB 3.89Å; C85-L91 HydrophobicContact CB-CD2 4.09Å; C85-L91 HydrophobicContact CB-CG 4.37Å; C85-L91 WeakPolarHBondContact CB-O 3.45Å; C85-L91 PolarHBondContact N-O 3.14Å; N88-L91 HydrophobicContact CB-CB 3.89Å; N88-L91 PolarHBondContact O-N 3.29Å; L91-V103 HydrophobicContact CD1-CG1 3.61Å; L91-V103 HydrophobicContact CD2-CG1 3.99Å; L91-V103 HydrophobicContact CG-CG1 3.62Å; L91-W104 WeakPolarHBondContact CA-O 3.2Å; L91-V121 HydrophobicContact CD1-CG2 3.91Å; L91-W136 HydrophobicContact CD2-CH2 3.81Å; L91-W136 HydrophobicContact CD2-CZ2 4.19Å |
| 92 | I | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 139.6 | 178.9 | -172.1 | 168 | 0 | 0 | 0 | 111.1 | A43 F54 I82 W84 V103 W104 I106 | A43-I92 HydrophobicContact CB-CD1 3.57Å; F54-I92 HydrophobicContact CE2-CD1 3.96Å; F54-I92 HydrophobicContact CE2-CG2 4.07Å; F54-I92 HydrophobicContact CZ-CD1 4.49Å; F54-I92 HydrophobicContact CZ-CG2 4.04Å; I82-I92 HydrophobicContact CB-CD1 4.17Å; W84-I92 HydrophobicContact CD2-CB 4.06Å; W84-I92 HydrophobicContact CD2-CD1 3.97Å; W84-I92 HydrophobicContact CD2-CG1 4.2Å; W84-I92 HydrophobicContact CE3-CB 3.61Å; W84-I92 HydrophobicContact CE3-CD1 4.32Å; W84-I92 HydrophobicContact CE3-CG1 4.26Å; W84-I92 HydrophobicContact CE3-CG2 4.46Å; W84-I92 HydrophobicContact CG-CD1 4.48Å; W84-I92 HydrophobicContact CH2-CB 4.28Å; W84-I92 HydrophobicContact CH2-CD1 4.27Å; W84-I92 HydrophobicContact CH2-CG2 4.39Å; W84-I92 HydrophobicContact CZ2-CD1 3.92Å; W84-I92 HydrophobicContact CZ3-CB 3.73Å; W84-I92 HydrophobicContact CZ3-CD1 4.46Å; W84-I92 HydrophobicContact CZ3-CG2 4.09Å; I92-V103 CarbonylContact O-C 3.48Å; I92-V103 WeakPolarHBondContact O-CA 3.14Å; I92-W104 HydrophobicContact CG2-CB 3.85Å; I92-W104 HydrophobicContact CG2-CG 4.36Å; I92-W104 PolarHBondContact N-O 2.94Å; I92-W104 PolarHBondContact O-N 2.74Å; I92-I106 HydrophobicContact CG2-CD1 4.12Å; I92-I106 HydrophobicContact CG2-CG1 4.26Å |
| 93 | A | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 148.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | I82 Q83 K102 V103 W136 L144 | I82-A93 VanDerWaalsContact CA-O 3.29Å; I82-A93 WeakPolarHBondContact CA-O 3.46Å; Q83-A93 PolarHBondContact N-O 3.3Å; Q83-A93 PolarHBondContact O-N 2.66Å; A93-K102 CarbonylContact C-O 3.54Å; A93-K102 WeakPolarHBondContact CA-O 3.28Å; A93-V103 HydrophobicContact CB-CG2 4.24Å; A93-W136 HydrophobicContact CB-CZ2 3.75Å; A93-L144 HydrophobicContact CB-CD1 4.09Å; A93-L144 HydrophobicContact CB-CD2 3.87Å |
| 94 | S | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 133 | 174.4 | 60 | 0 | 0 | 0 | 0 | 112.2 | H75 D81 V101 K102 W104 | H75-S94 PolarHBondContact CD2-OG 3.23Å; H75-S94 PolarHBondContact NE2-O 2.67Å; H75-S94 PolarHBondContact NE2-OG 3.45Å; D81-S94 WeakPolarHBondContact O-CA 3.39Å; S94-V101 VanDerWaalsContact O-CA 3.3Å; S94-V101 WeakPolarHBondContact O-CA 3.32Å; S94-K102 PolarHBondContact N-O 2.71Å; S94-K102 PolarHBondContact O-N 2.79Å; S94-K102 PolarHBondContact OG-O 2.83Å; S94-W104 PolarHBondContact OG-NE1 3.45Å |
| 95 | G | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 144.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L80 D81 V131 | L80-G95 PolarHBondContact N-O 3.1Å; D81-G95 PolarHBondContact N-O 2.85Å; D81-G95 PolarHBondContact O-N 2.88Å; G95-V131 CarbonylContact C-O 3.57Å |
| 96 | S | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 160.6 | -167.8 | 153 | 0 | 0 | 0 | 0 | 114.5 | H75 G77 S78 D98 C99 T100 V131 | H75-S96 WeakPolarHBondContact CE1-CB 3.38Å; H75-S96 WeakPolarHBondContact ND1-CB 3.5Å; H75-S96 PolarHBondContact ND1-OG 3.27Å; G77-S96 PolarHBondContact O-OG 3.15Å; S78-S96 CarbonylContact O-C 3.45Å; S78-S96 WeakPolarHBondContact O-CA 3.44Å; S96-D98 WeakPolarHBondContact CB-OD1 3.03Å; S96-D98 PolarHBondContact O-N 3.47Å; S96-D98 PolarHBondContact OG-N 3.42Å; S96-D98 PolarHBondContact OG-OD1 3.41Å; S96-D98 PolarHBondContact OG-OD2 3.27Å; S96-C99 PolarHBondContact O-N 2.98Å; S96-T100 PolarHBondContact N-O 3.01Å; S96-V131 PolarHBondContact N-O 2.95Å; S96-V131 VanDerWaalsContact N-O 3.14Å; S96-V131 PolarHBondContact O-N 2.79Å |
| 97 | E | 97.4 | Very high | 97.9 | Very high | 67 Ų | 67 | 15.5 Ų | 15.5 | 31% | 0.313 | 8% | 0.081 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -18.7 | 171.5 | -69.2 | -172.6 | 138.6 | 0 | 0 | 114.2 | S78 L80 C99 R130 | S78-E97 WeakPolarHBondContact CB-OE2 3.49Å; S78-E97 PolarHBondContact O-N 3.07Å; S78-E97 PolarHBondContact OG-OE2 2.97Å; L80-E97 HydrophobicContact CD1-CG 3.86Å; L80-E97 HydrophobicContact CD2-CG 3.94Å; L80-E97 HydrophobicContact CG-CG 3.98Å; E97-C99 PolarHBondContact O-N 3.44Å; E97-C99 VanDerWaalsContact O-N 3.16Å; E97-R130 HydrophobicContact CB-CB 4.4Å; E97-R130 HydrophobicContact CG-CB 4.26Å; E97-R130 IonicContact OE1-CZ 2.69Å; E97-R130 IonicContact OE1-NH1 3.78Å; E97-R130 PolarHBondContact OE1-NH1 2.71Å; E97-R130 IonicContact OE1-NH2 3Å |
| 98 | D | 97.3 | Very high | 97.5 | Very high | 17 Ų | 17 | 23.5 Ų | 23.5 | 9% | 0.091 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | 11.9 | 173.7 | 68.3 | 4.9 | 0 | 0 | 0 | 114.5 | H75 T76 S96 T100 | H75-D98 IonicContact CE1-OD1 2.67Å; H75-D98 IonicContact CG-OD2 3.88Å; H75-D98 IonicContact ND1-OD1 3.52Å; H75-D98 PolarHBondContact ND1-OD1 3.17Å; H75-D98 IonicContact ND1-OD2 2.73Å; H75-D98 PolarHBondContact ND1-OD2 2.99Å; T76-D98 PolarHBondContact N-OD2 2.82Å; T76-D98 VanDerWaalsContact OG1-CB 3.28Å; T76-D98 WeakPolarHBondContact OG1-CB 3.33Å; T76-D98 PolarHBondContact OG1-OD2 2.9Å; S96-D98 WeakPolarHBondContact CB-OD1 3.03Å; S96-D98 PolarHBondContact O-N 3.47Å; S96-D98 PolarHBondContact OG-N 3.42Å; S96-D98 PolarHBondContact OG-OD1 3.41Å; S96-D98 PolarHBondContact OG-OD2 3.27Å; D98-T100 VanDerWaalsContact CG-OG1 3.29Å; D98-T100 PolarHBondContact O-N 2.73Å; D98-T100 PolarHBondContact OD1-N 2.89Å; D98-T100 VanDerWaalsContact OD1-N 3.14Å; D98-T100 PolarHBondContact OD1-OG1 2.91Å; D98-T100 PolarHBondContact OD2-OG1 3.37Å |
| 99 | C | 98.2 | Very high | 97.2 | Very high | 9 Ų | 9 | 24 Ų | 24 | 6% | 0.061 | 13% | 0.133 | C | C | . | . | S | Bend | trans | 65.9 | 11.7 | 179.5 | -44.8 | 0 | 0 | 0 | 0 | 114.6 | S96 E97 H127 Q128 R129 | S96-C99 PolarHBondContact O-N 2.98Å; E97-C99 PolarHBondContact O-N 3.44Å; E97-C99 VanDerWaalsContact O-N 3.16Å; C99-H127 WeakPolarHBondContact CB-O 3.48Å; C99-Q128 VanDerWaalsContact SG-C 3.59Å; C99-Q128 PolarHBondContact SG-O 2.76Å; C99-R129 WeakPolarHBondContact CA-O 3.39Å; C99-R129 WeakPolarHBondContact CB-O 3.48Å; C99-R129 WeakPolarHBondContact SG-CA 3.43Å |
| 100 | T | 98.2 | Very high | 97 | Very high | 5 Ų | 5 | 23.7 Ų | 23.7 | 3% | 0.031 | 13% | 0.132 | C | C | . | . | trans | -108.1 | 154.1 | 179.2 | 68 | 0 | 0 | 0 | 0 | 111.9 | H75 S96 D98 K102 V125 | H75-T100 PolarHBondContact CE1-OG1 3.37Å; H75-T100 VanDerWaalsContact CE1-OG1 3.24Å; H75-T100 PolarHBondContact ND1-OG1 3.09Å; S96-T100 PolarHBondContact N-O 3.01Å; D98-T100 VanDerWaalsContact CG-OG1 3.29Å; D98-T100 PolarHBondContact O-N 2.73Å; D98-T100 PolarHBondContact OD1-N 2.89Å; D98-T100 VanDerWaalsContact OD1-N 3.14Å; D98-T100 PolarHBondContact OD1-OG1 2.91Å; D98-T100 PolarHBondContact OD2-OG1 3.37Å; T100-K102 WeakPolarHBondContact OG1-CE 3.45Å; T100-V125 HydrophobicContact CG2-CG2 4.13Å | ||
| 101 | V | 98.8 | Very high | 96.9 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.006 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 128.6 | 160.4 | 177.6 | 0 | 0 | 0 | 0 | 107.9 | S94 L124 V131 V134 L144 | S94-V101 VanDerWaalsContact O-CA 3.3Å; S94-V101 WeakPolarHBondContact O-CA 3.32Å; V101-L124 HydrophobicContact CB-CB 4.12Å; V101-L124 HydrophobicContact CB-CD1 4.2Å; V101-L124 HydrophobicContact CG1-CD1 4Å; V101-L124 PolarHBondContact N-O 2.74Å; V101-L124 VanDerWaalsContact N-O 3.12Å; V101-L124 WeakPolarHBondContact O-CB 3.44Å; V101-L124 PolarHBondContact O-N 3.49Å; V101-V131 HydrophobicContact CG2-CB 4.14Å; V101-V131 HydrophobicContact CG2-CG1 3.57Å; V101-V131 HydrophobicContact CG2-CG2 4.21Å; V101-V134 HydrophobicContact CG1-CG1 3.91Å; V101-V134 HydrophobicContact CG2-CG1 3.95Å; V101-L144 HydrophobicContact CG1-CD2 3.79Å |
| 102 | K | 98.7 | Very high | 96.6 | Very high | 13 Ų | 13 | 28.3 Ų | 28.3 | 6% | 0.057 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 144 | 178.2 | -66.9 | -177.8 | -167.8 | -51.3 | 0 | 110 | A93 S94 T100 W104 P120 A122 D123 | A93-K102 CarbonylContact C-O 3.54Å; A93-K102 WeakPolarHBondContact CA-O 3.28Å; S94-K102 PolarHBondContact N-O 2.71Å; S94-K102 PolarHBondContact O-N 2.79Å; S94-K102 PolarHBondContact OG-O 2.83Å; T100-K102 WeakPolarHBondContact OG1-CE 3.45Å; K102-W104 HydrophobicContact CB-CH2 4.2Å; K102-W104 HydrophobicContact CB-CZ2 3.41Å; K102-W104 VanDerWaalsContact CB-CZ2 3.41Å; K102-W104 HydrophobicContact CD-CH2 3.66Å; K102-W104 HydrophobicContact CD-CZ2 3.51Å; K102-W104 HydrophobicContact CG-CZ2 4.07Å; K102-W104 PolarHBondContact O-NE1 3.38Å; K102-P120 HydrophobicContact CB-CB 3.98Å; K102-P120 HydrophobicContact CB-CG 4.47Å; K102-P120 HydrophobicContact CD-CB 4.41Å; K102-P120 HydrophobicContact CD-CG 4.1Å; K102-P120 HydrophobicContact CG-CB 4.34Å; K102-P120 HydrophobicContact CG-CG 4.29Å; K102-A122 WeakPolarHBondContact CA-O 3.46Å; K102-D123 IonicContact NZ-OD1 3.02Å; K102-D123 PolarHBondContact NZ-OD1 3.09Å; K102-D123 IonicContact NZ-OD2 3.18Å; K102-D123 PolarHBondContact NZ-OD2 2.92Å |
| 103 | V | 98.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 135.5 | 174.6 | -173.9 | 0 | 0 | 0 | 0 | 109.2 | L91 I92 A93 P120 V121 A122 W136 L144 V158 | L91-V103 HydrophobicContact CD1-CG1 3.61Å; L91-V103 HydrophobicContact CD2-CG1 3.99Å; L91-V103 HydrophobicContact CG-CG1 3.62Å; I92-V103 CarbonylContact O-C 3.48Å; I92-V103 WeakPolarHBondContact O-CA 3.14Å; A93-V103 HydrophobicContact CB-CG2 4.24Å; V103-P120 CarbonylContact O-C 3.58Å; V103-P120 WeakPolarHBondContact O-CA 3.25Å; V103-P120 VanDerWaalsContact O-CB 3.25Å; V103-P120 WeakPolarHBondContact O-CB 3.21Å; V103-V121 HydrophobicContact CB-CG2 4.28Å; V103-V121 HydrophobicContact CG1-CG2 4.08Å; V103-V121 VanDerWaalsContact O-CG2 3.27Å; V103-V121 WeakPolarHBondContact O-CG2 3.36Å; V103-V121 PolarHBondContact O-N 2.78Å; V103-A122 HydrophobicContact CB-CB 4.01Å; V103-A122 HydrophobicContact CG2-CB 4.24Å; V103-A122 PolarHBondContact N-O 2.94Å; V103-A122 PolarHBondContact O-N 3.41Å; V103-W136 HydrophobicContact CG1-CH2 4.11Å; V103-W136 HydrophobicContact CG1-CZ2 4.12Å; V103-W136 HydrophobicContact CG2-CH2 4.42Å; V103-L144 HydrophobicContact CG2-CD2 4.37Å; V103-V158 HydrophobicContact CB-CG1 4Å; V103-V158 HydrophobicContact CG1-CG1 4.04Å; V103-V158 HydrophobicContact CG2-CG1 3.62Å; V103-V158 HydrophobicContact CG2-CG2 4.26Å |
| 104 | W | 98.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 130.9 | -170.4 | -46.4 | 89 | 0 | 0 | 0 | 110.2 | F54 V72 H75 L91 I92 S94 K102 I106 L117 P120 | F54-W104 AromaticContact CE1-NE1 3.78Å; F54-W104 AromaticContact CZ-CD1 3.66Å; F54-W104 HydrophobicContact CZ-CG 4.18Å; F54-W104 AromaticContact CZ-NE1 3.88Å; V72-W104 HydrophobicContact CG1-CB 4.48Å; V72-W104 HydrophobicContact CG1-CD2 3.3Å; V72-W104 HydrophobicContact CG1-CE3 3.49Å; V72-W104 VanDerWaalsContact CG1-CE3 3.49Å; V72-W104 HydrophobicContact CG1-CG 3.76Å; V72-W104 HydrophobicContact CG1-CH2 4.13Å; V72-W104 HydrophobicContact CG1-CZ2 3.93Å; V72-W104 HydrophobicContact CG1-CZ3 3.9Å; H75-W104 AromaticContact CD2-CZ2 3.97Å; L91-W104 WeakPolarHBondContact CA-O 3.2Å; I92-W104 HydrophobicContact CG2-CB 3.85Å; I92-W104 HydrophobicContact CG2-CG 4.36Å; I92-W104 PolarHBondContact N-O 2.94Å; I92-W104 PolarHBondContact O-N 2.74Å; S94-W104 PolarHBondContact OG-NE1 3.45Å; K102-W104 HydrophobicContact CB-CH2 4.2Å; K102-W104 HydrophobicContact CB-CZ2 3.41Å; K102-W104 VanDerWaalsContact CB-CZ2 3.41Å; K102-W104 HydrophobicContact CD-CH2 3.66Å; K102-W104 HydrophobicContact CD-CZ2 3.51Å; K102-W104 HydrophobicContact CG-CZ2 4.07Å; K102-W104 PolarHBondContact O-NE1 3.38Å; W104-I106 HydrophobicContact CB-CD1 4.46Å; W104-L117 HydrophobicContact CB-CD2 4.14Å; W104-L117 HydrophobicContact CE3-CD2 4.1Å; W104-L117 HydrophobicContact CE3-CG 4.08Å; W104-P120 HydrophobicContact CD2-CB 4.18Å; W104-P120 HydrophobicContact CE3-CB 3.84Å; W104-P120 HydrophobicContact CH2-CB 3.99Å; W104-P120 HydrophobicContact CH2-CG 4.36Å; W104-P120 HydrophobicContact CZ2-CB 4.37Å; W104-P120 HydrophobicContact CZ3-CB 3.73Å; W104-P120 HydrophobicContact CZ3-CG 4.29Å |
| 105 | Q | 97.3 | Very high | 95.3 | Very high | 73 Ų | 73 | 44.8 Ų | 44.8 | 34% | 0.341 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 116.4 | 168.2 | 179.8 | 68 | 51.9 | 0 | 0 | 108.4 | D90 V121 | D90-Q105 CarbonylContact O-C 3.53Å; D90-Q105 WeakPolarHBondContact O-CA 3.41Å; D90-Q105 PolarHBondContact O-NE2 2.83Å; Q105-V121 HydrophobicContact CB-CG1 3.57Å; Q105-V121 HydrophobicContact CB-CG2 4.36Å |
| 106 | I | 97.5 | Very high | 95.2 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -80.2 | 132.3 | 175.5 | -54.1 | -53.5 | 0 | 0 | 0 | 108.4 | Y41 V56 V72 W84 D90 I92 W104 L111 L117 | Y41-I106 HydrophobicContact CD1-CG2 4.46Å; Y41-I106 HydrophobicContact CD2-CG2 4.45Å; Y41-I106 HydrophobicContact CE1-CG2 4.12Å; Y41-I106 HydrophobicContact CE2-CB 4.34Å; Y41-I106 HydrophobicContact CE2-CG2 4.09Å; V56-I106 HydrophobicContact CG1-CD1 4.36Å; V56-I106 HydrophobicContact CG1-CG1 4.33Å; V56-I106 HydrophobicContact CG1-CG2 4.12Å; V56-I106 HydrophobicContact CG2-CD1 4.13Å; V72-I106 HydrophobicContact CG2-CD1 4.2Å; W84-I106 HydrophobicContact CH2-CG1 3.8Å; W84-I106 HydrophobicContact CZ3-CG1 3.82Å; D90-I106 PolarHBondContact O-N 2.7Å; I92-I106 HydrophobicContact CG2-CD1 4.12Å; I92-I106 HydrophobicContact CG2-CG1 4.26Å; W104-I106 HydrophobicContact CB-CD1 4.46Å; I106-L111 HydrophobicContact CD1-CD2 4.27Å; I106-L117 HydrophobicContact CD1-CD2 4.21Å |
| 107 | P | 95.1 | Very high | 95.1 | Very high | 50 Ų | 50 | 50.3 Ų | 50.3 | 33% | 0.325 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 151.9 | 174.5 | -17 | 29.8 | 0 | 0 | 0 | 111.2 | Y41 G109 G110 | Y41-P107 PolarHBondContact OH-O 3.27Å; P107-G109 PolarHBondContact O-N 3.26Å; P107-G110 WeakPolarHBondContact CB-O 3.34Å; P107-G110 WeakPolarHBondContact O-CA 3.03Å; P107-G110 PolarHBondContact O-N 3.05Å |
| 108 | E | 89.9 | Confident | 95.1 | Very high | 175 Ų | 175 | 51 Ų | 51 | 82% | 0.818 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 129.1 | 173.2 | -173.2 | 174.9 | -172.9 | 0 | 0 | 110.7 | G110 | E108-G110 VanDerWaalsContact C-N 3.31Š|
| 109 | G | 89 | Confident | 95 | Very high | 50 Ų | 50 | 55.1 Ų | 55.1 | 52% | 0.515 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | 2.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | P58 P107 | P58-G109 WeakPolarHBondContact CG-O 3.31Å; P107-G109 PolarHBondContact O-N 3.26Å |
| 110 | G | 94.2 | Very high | 95 | Very high | 4 Ų | 4 | 56 Ų | 56 | 4% | 0.041 | 32% | 0.315 | C | S | . | . | S | Bend | trans | 98.8 | -167 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | P107 E108 | P107-G110 WeakPolarHBondContact CB-O 3.34Å; P107-G110 WeakPolarHBondContact O-CA 3.03Å; P107-G110 PolarHBondContact O-N 3.05Å; E108-G110 VanDerWaalsContact C-N 3.31Å |
| 111 | L | 95.5 | Very high | 94.9 | Very high | 19 Ų | 19 | 58.1 Ų | 58.1 | 10% | 0.099 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -67.7 | 143.4 | -179.7 | -61.4 | 179.3 | 0 | 0 | 0 | 111.8 | V56 P70 V72 I106 L117 | V56-L111 HydrophobicContact CB-CD1 4.17Å; V56-L111 HydrophobicContact CB-CG 4.3Å; P70-L111 HydrophobicContact CB-CB 3.91Å; P70-L111 HydrophobicContact CB-CD1 4.25Å; P70-L111 HydrophobicContact CG-CB 3.6Å; P70-L111 HydrophobicContact CG-CD1 4.4Å; P70-L111 WeakPolarHBondContact O-CD1 3.17Å; V72-L111 HydrophobicContact CG2-CD1 4.11Å; V72-L111 HydrophobicContact CG2-CD2 4.2Å; I106-L111 HydrophobicContact CD1-CD2 4.27Å; L111-L117 HydrophobicContact CD2-CB 3.93Å; L111-L117 HydrophobicContact CD2-CD2 4.22Å |
| 112 | L | 90.5 | Very high | 94.8 | Very high | 111 Ų | 111 | 58.2 Ų | 58.2 | 58% | 0.581 | 33% | 0.329 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 136.3 | 176.9 | -66.1 | 175.5 | 0 | 0 | 0 | 110.4 | P70 K114 T115 | P70-L112 WeakPolarHBondContact CB-O 3.45Å; P70-L112 WeakPolarHBondContact CG-O 3.47Å; L112-K114 PolarHBondContact O-N 2.86Å; L112-T115 PolarHBondContact O-N 2.78Å |
| 113 | P | 89.2 | Confident | 94.7 | Very high | 104 Ų | 104 | 58.9 Ų | 58.9 | 68% | 0.675 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | 136.3 | -179.5 | -27 | 34.4 | 0 | 0 | 0 | 112.5 | T115 | P113-T115 PolarHBondContact O-N 2.82Å; P113-T115 PolarHBondContact O-OG1 3.24Å |
| 114 | K | 86.9 | Confident | 94.6 | Very high | 160 Ų | 160 | 59 Ų | 59 | 70% | 0.696 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.3 | 14.7 | 175.2 | -53.2 | -175.5 | 178.4 | -174.1 | 0 | 115.4 | D68 L112 | D68-K114 VanDerWaalsContact OD2-CE 3.3Å; D68-K114 WeakPolarHBondContact OD2-CE 3.32Å; D68-K114 IonicContact OD2-NZ 3.29Å; L112-K114 PolarHBondContact O-N 2.86Å |
| 115 | T | 93.3 | Very high | 94.5 | Very high | 82 Ų | 82 | 60.3 Ų | 60.3 | 50% | 0.503 | 34% | 0.342 | S | S | . | . | trans | -126.3 | 111.1 | -178.9 | -53.2 | 0 | 0 | 0 | 0 | 109.6 | P70 L112 P113 | P70-T115 VanDerWaalsContact CB-O 3.29Å; P70-T115 WeakPolarHBondContact CB-O 3.35Å; L112-T115 PolarHBondContact O-N 2.78Å; P113-T115 PolarHBondContact O-N 2.82Å; P113-T115 PolarHBondContact O-OG1 3.24Å | ||
| 116 | N | 95.6 | Very high | 94.4 | Very high | 78 Ų | 78 | 58.7 Ų | 58.7 | 42% | 0.417 | 34% | 0.338 | S | S | . | . | trans | -69.1 | 142.1 | 175.4 | -68.8 | -16.8 | 0 | 0 | 0 | 110.9 | L71 A73 T118 | L71-N116 PolarHBondContact N-OD1 2.78Å; L71-N116 CarbonylContact O-C 3.59Å; L71-N116 WeakPolarHBondContact O-CA 3.33Å; L71-N116 WeakPolarHBondContact O-CB 3.39Å; A73-N116 HydrophobicContact CB-CB 4.16Å; N116-T118 HydrophobicContact CB-CG2 4.25Å; N116-T118 PolarHBondContact O-N 2.87Å | ||
| 117 | L | 97.2 | Very high | 94.5 | Very high | 38 Ų | 38 | 59.2 Ų | 59.2 | 20% | 0.199 | 34% | 0.34 | C | S | . | . | B | Isolated β-bridge | trans | -82.5 | 109.8 | 169.1 | -179.9 | 64.4 | 0 | 0 | 0 | 108.9 | L71 V72 A73 W104 I106 L111 | L71-L117 PolarHBondContact O-N 3.29Å; V72-L117 CarbonylContact C-O 3.56Å; V72-L117 WeakPolarHBondContact CA-O 3.3Å; V72-L117 HydrophobicContact CG1-CD2 4.42Å; V72-L117 HydrophobicContact CG2-CB 4.33Å; V72-L117 HydrophobicContact CG2-CD2 4.23Å; A73-L117 PolarHBondContact N-O 2.92Å; W104-L117 HydrophobicContact CB-CD2 4.14Å; W104-L117 HydrophobicContact CE3-CD2 4.1Å; W104-L117 HydrophobicContact CE3-CG 4.08Å; I106-L117 HydrophobicContact CD1-CD2 4.21Å; L111-L117 HydrophobicContact CD2-CB 3.93Å; L111-L117 HydrophobicContact CD2-CD2 4.22Å |
| 118 | T | 96.6 | Very high | 94.5 | Very high | 80 Ų | 80 | 63.3 Ų | 63.3 | 49% | 0.491 | 36% | 0.355 | S | S | . | . | trans | -111.4 | -15.2 | -176 | 57.2 | 0 | 0 | 0 | 0 | 113.8 | G74 N116 | G74-T118 WeakPolarHBondContact CA-O 3.39Å; N116-T118 HydrophobicContact CB-CG2 4.25Å; N116-T118 PolarHBondContact O-N 2.87Å | ||
| 119 | T | 96.3 | Very high | 94.9 | Very high | 104 Ų | 104 | 62.6 Ų | 62.6 | 64% | 0.638 | 35% | 0.345 | S | S | * | . | trans | -106 | 112.7 | -176.8 | -54.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 120 | P | 97.4 | Very high | 95.3 | Very high | 28 Ų | 28 | 65.2 Ų | 65.2 | 18% | 0.182 | 34% | 0.339 | C | S | . | . | trans | -74.2 | 160.5 | 175.2 | 33.8 | -37.3 | 0 | 0 | 0 | 111.2 | K102 V103 W104 A122 D123 | K102-P120 HydrophobicContact CB-CB 3.98Å; K102-P120 HydrophobicContact CB-CG 4.47Å; K102-P120 HydrophobicContact CD-CB 4.41Å; K102-P120 HydrophobicContact CD-CG 4.1Å; K102-P120 HydrophobicContact CG-CB 4.34Å; K102-P120 HydrophobicContact CG-CG 4.29Å; V103-P120 CarbonylContact O-C 3.58Å; V103-P120 WeakPolarHBondContact O-CA 3.25Å; V103-P120 VanDerWaalsContact O-CB 3.25Å; V103-P120 WeakPolarHBondContact O-CB 3.21Å; W104-P120 HydrophobicContact CD2-CB 4.18Å; W104-P120 HydrophobicContact CE3-CB 3.84Å; W104-P120 HydrophobicContact CH2-CB 3.99Å; W104-P120 HydrophobicContact CH2-CG 4.36Å; W104-P120 HydrophobicContact CZ2-CB 4.37Å; W104-P120 HydrophobicContact CZ3-CB 3.73Å; W104-P120 HydrophobicContact CZ3-CG 4.29Å; P120-A122 WeakPolarHBondContact CB-O 3.33Å; P120-D123 HydrophobicContact CG-CB 4.42Å | ||
| 121 | V | 96.2 | Very high | 95.6 | Very high | 49 Ų | 49 | 65 Ų | 65 | 30% | 0.297 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -84.8 | -20.3 | 169.8 | -66.5 | 0 | 0 | 0 | 0 | 112.9 | L91 V103 Q105 I400 | L91-V121 HydrophobicContact CD1-CG2 3.91Å; V103-V121 HydrophobicContact CB-CG2 4.28Å; V103-V121 HydrophobicContact CG1-CG2 4.08Å; V103-V121 VanDerWaalsContact O-CG2 3.27Å; V103-V121 WeakPolarHBondContact O-CG2 3.36Å; V103-V121 PolarHBondContact O-N 2.78Å; Q105-V121 HydrophobicContact CB-CG1 3.57Å; Q105-V121 HydrophobicContact CB-CG2 4.36Å; V121-I400 HydrophobicContact CB-CD1 4.38Å; V121-I400 HydrophobicContact CG2-CD1 4.32Å |
| 122 | A | 96.2 | Very high | 95.7 | Very high | 3 Ų | 3 | 64.4 Ų | 64.4 | 3% | 0.025 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 140.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111 | K102 V103 P120 L124 V158 E161 | K102-A122 WeakPolarHBondContact CA-O 3.46Å; V103-A122 HydrophobicContact CB-CB 4.01Å; V103-A122 HydrophobicContact CG2-CB 4.24Å; V103-A122 PolarHBondContact N-O 2.94Å; V103-A122 PolarHBondContact O-N 3.41Å; P120-A122 WeakPolarHBondContact CB-O 3.33Å; A122-L124 HydrophobicContact CB-CD2 4.32Å; A122-V158 HydrophobicContact CB-CG1 3.83Å; A122-E161 VanDerWaalsContact CA-OE1 3.25Å; A122-E161 WeakPolarHBondContact CA-OE1 3.27Å; A122-E161 HydrophobicContact CB-CG 4.1Å |
| 123 | D | 96.7 | Very high | 96.1 | Very high | 28 Ų | 28 | 60.3 Ų | 60.3 | 15% | 0.15 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 99.7 | 177 | -160.8 | -2.9 | 0 | 0 | 0 | 110.9 | K102 P120 E161 | K102-D123 IonicContact NZ-OD1 3.02Å; K102-D123 PolarHBondContact NZ-OD1 3.09Å; K102-D123 IonicContact NZ-OD2 3.18Å; K102-D123 PolarHBondContact NZ-OD2 2.92Å; P120-D123 HydrophobicContact CG-CB 4.42Å; D123-E161 PolarHBondContact N-OE1 3.32Å |
| 124 | L | 97.9 | Very high | 96.5 | Very high | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 111.6 | -172.2 | -45.5 | 177.3 | 0 | 0 | 0 | 110.1 | V101 A122 L144 W156 V158 E161 | V101-L124 HydrophobicContact CB-CB 4.12Å; V101-L124 HydrophobicContact CB-CD1 4.2Å; V101-L124 HydrophobicContact CG1-CD1 4Å; V101-L124 PolarHBondContact N-O 2.74Å; V101-L124 VanDerWaalsContact N-O 3.12Å; V101-L124 WeakPolarHBondContact O-CB 3.44Å; V101-L124 PolarHBondContact O-N 3.49Å; A122-L124 HydrophobicContact CB-CD2 4.32Å; L124-L144 HydrophobicContact CD1-CD2 3.88Å; L124-W156 HydrophobicContact CB-CD2 4.09Å; L124-W156 HydrophobicContact CB-CE3 4Å; L124-W156 HydrophobicContact CB-CH2 3.95Å; L124-W156 HydrophobicContact CB-CZ2 4.09Å; L124-W156 HydrophobicContact CB-CZ3 3.93Å; L124-W156 HydrophobicContact CD1-CB 4.09Å; L124-W156 HydrophobicContact CD1-CD2 3.92Å; L124-W156 HydrophobicContact CD1-CE3 4.37Å; L124-W156 HydrophobicContact CD1-CG 3.78Å; L124-W156 HydrophobicContact CD2-CE3 4.14Å; L124-W156 HydrophobicContact CG-CD2 4.4Å; L124-W156 HydrophobicContact CG-CE3 4.4Å; L124-V158 HydrophobicContact CD1-CG2 4.24Å; L124-E161 HydrophobicContact CD2-CB 4.05Å; L124-E161 HydrophobicContact CD2-CG 4.28Å |
| 125 | V | 96.2 | Very high | 97.1 | Very high | 29 Ų | 29 | 49.2 Ų | 49.2 | 18% | 0.176 | 26% | 0.258 | C | S | . | . | trans | -126.9 | 96.6 | -168 | -171.2 | 0 | 0 | 0 | 0 | 109.9 | T100 I499 I500 | T100-V125 HydrophobicContact CG2-CG2 4.13Å; V125-I499 HydrophobicContact CB-CG2 4.41Å; V125-I499 HydrophobicContact CG1-CG2 3.96Å; V125-I499 HydrophobicContact CG2-CG2 3.69Å; V125-I500 HydrophobicContact CG1-CG1 3.56Å | ||
| 126 | C | 95.6 | Very high | 97.3 | Very high | 38 Ų | 38 | 46 Ų | 46 | 26% | 0.257 | 24% | 0.237 | S | C | . | . | trans | -142.8 | -32.5 | 170.3 | -75.3 | 0 | 0 | 0 | 0 | 112.8 | Y154 W156 | C126-Y154 HydrophobicContact CB-CD1 4.4Å; C126-Y154 HydrophobicContact CB-CD2 4.05Å; C126-Y154 HydrophobicContact CB-CE1 4Å; C126-Y154 HydrophobicContact CB-CE2 3.65Å; C126-Y154 HydrophobicContact CB-CG 4.43Å; C126-W156 HydrophobicContact CB-CH2 3.46Å; C126-W156 VanDerWaalsContact CB-CH2 3.46Å; C126-W156 HydrophobicContact CB-CZ2 4.01Å; C126-W156 HydrophobicContact CB-CZ3 4.45Å; C126-W156 WeakPolarHBondContact SG-CH2 2.84Å | ||
| 127 | H | 98 | Very high | 97.5 | Very high | 12 Ų | 12 | 42.3 Ų | 42.3 | 6% | 0.056 | 22% | 0.217 | C | C | . | . | trans | -64 | 144.6 | -180 | -72.7 | -73.3 | 0 | 0 | 0 | 112 | C99 V131 S146 G148 D150 K152 Y154 | C99-H127 WeakPolarHBondContact CB-O 3.48Å; H127-V131 HydrophobicContact CB-CG2 3.72Å; H127-V131 VanDerWaalsContact CD2-CG2 3.42Å; H127-V131 WeakPolarHBondContact CD2-CG2 3.07Å; H127-S146 PolarHBondContact CD2-OG 2.98Å; H127-S146 PolarHBondContact NE2-OG 3.24Å; H127-G148 PolarHBondContact CE1-N 2.8Å; H127-D150 WeakPolarHBondContact CA-OD2 3.42Å; H127-D150 IonicContact CE1-OD1 2.98Å; H127-D150 IonicContact CG-OD2 3.29Å; H127-D150 IonicContact ND1-OD1 2.92Å; H127-D150 PolarHBondContact ND1-OD1 2.81Å; H127-D150 IonicContact ND1-OD2 3.52Å; H127-D150 PolarHBondContact ND1-OD2 3.12Å; H127-K152 PolarHBondContact CE1-O 3.5Å; H127-K152 VanDerWaalsContact CE1-O 3.3Å; H127-Y154 AromaticContact CD2-CD2 3.94Å; H127-Y154 AromaticContact CE1-CD2 3.45Å; H127-Y154 VanDerWaalsContact CE1-CD2 3.45Å; H127-Y154 WeakPolarHBondContact CE1-CD2 3.46Å; H127-Y154 AromaticContact CE1-CE2 3.91Å; H127-Y154 AromaticContact ND1-CD2 3.83Å; H127-Y154 AromaticContact ND1-CE2 3.84Å; H127-Y154 AromaticContact NE2-CD2 3.54Å | ||
| 128 | Q | 97.1 | Very high | 97.5 | Very high | 136 Ų | 136 | 42 Ų | 42 | 64% | 0.636 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -102.9 | -10.7 | -179.2 | -62.7 | -179.1 | 0.9 | 0 | 0 | 112.7 | C99 D150 | C99-Q128 VanDerWaalsContact SG-C 3.59Å; C99-Q128 PolarHBondContact SG-O 2.76Å; Q128-D150 HydrophobicContact CB-CB 4.47Å; Q128-D150 PolarHBondContact N-OD2 2.69Å |
| 129 | R | 98 | Very high | 97.6 | Very high | 161 Ų | 161 | 38.1 Ų | 38.1 | 61% | 0.608 | 19% | 0.193 | S | C | * | . | S | Bend | trans | -131.9 | 172 | 175.8 | -65.4 | 179 | 174.6 | -111.6 | -0.6 | 109.7 | C99 V131 A149 D150 | C99-R129 WeakPolarHBondContact CA-O 3.39Å; C99-R129 WeakPolarHBondContact CB-O 3.48Å; C99-R129 WeakPolarHBondContact SG-CA 3.43Å; R129-V131 PolarHBondContact O-N 2.88Å; R129-A149 HydrophobicContact CB-CB 4Å; R129-A149 WeakPolarHBondContact CD-O 3.34Å; R129-D150 HydrophobicContact CB-CB 4.11Å; R129-D150 HydrophobicContact CG-CB 4.17Å |
| 130 | R | 97.7 | Very high | 97.7 | Very high | 104 Ų | 104 | 33.2 Ų | 33.2 | 39% | 0.392 | 16% | 0.163 | S | C | . | . | trans | -44.6 | 138.7 | 179.6 | 68.7 | -178.2 | 75.5 | -147.1 | -3.6 | 112.1 | L80 E97 G148 A149 | L80-R130 HydrophobicContact CD1-CB 3.91Å; L80-R130 HydrophobicContact CD1-CG 4.09Å; E97-R130 HydrophobicContact CB-CB 4.4Å; E97-R130 HydrophobicContact CG-CB 4.26Å; E97-R130 IonicContact OE1-CZ 2.69Å; E97-R130 IonicContact OE1-NH1 3.78Å; E97-R130 PolarHBondContact OE1-NH1 2.71Å; E97-R130 IonicContact OE1-NH2 3Å; R130-G148 CarbonylContact O-C 3.59Å; R130-G148 WeakPolarHBondContact O-CA 3.47Å; R130-A149 HydrophobicContact CG-CB 3.64Å; R130-A149 PolarHBondContact O-N 3.22Å | ||
| 131 | V | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 113.9 | 175.2 | -171 | 0 | 0 | 0 | 0 | 108.7 | G95 S96 V101 H127 R129 A147 | G95-V131 CarbonylContact C-O 3.57Å; S96-V131 PolarHBondContact N-O 2.95Å; S96-V131 VanDerWaalsContact N-O 3.14Å; S96-V131 PolarHBondContact O-N 2.79Å; V101-V131 HydrophobicContact CG2-CB 4.14Å; V101-V131 HydrophobicContact CG2-CG1 3.57Å; V101-V131 HydrophobicContact CG2-CG2 4.21Å; H127-V131 HydrophobicContact CB-CG2 3.72Å; H127-V131 VanDerWaalsContact CD2-CG2 3.42Å; H127-V131 WeakPolarHBondContact CD2-CG2 3.07Å; R129-V131 PolarHBondContact O-N 2.88Å; V131-A147 WeakPolarHBondContact CG1-O 3.34Å |
| 132 | G | 97.9 | Very high | 97.7 | Very high | 7 Ų | 7 | 33.9 Ų | 33.9 | 7% | 0.072 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | -2.6 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | W30 A147 | W30-G132 PolarHBondContact NE1-O 2.84Å; G132-A147 PolarHBondContact N-O 2.95Å; G132-A147 VanDerWaalsContact N-O 3.11Å |
| 133 | L | 98.5 | Very high | 97.8 | Very high | 25 Ų | 25 | 33.7 Ų | 33.7 | 13% | 0.131 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 127.6 | -175 | 178 | 63.9 | 0 | 0 | 0 | 110.1 | D81 V135 S146 A147 V173 A176 | D81-L133 WeakPolarHBondContact OD2-CA 3.44Å; L133-V135 HydrophobicContact CD1-CG2 3.81Å; L133-V135 HydrophobicContact CG-CG2 4.09Å; L133-S146 WeakPolarHBondContact O-CA 3.45Å; L133-A147 HydrophobicContact CB-CB 4.06Å; L133-A147 HydrophobicContact CD2-CB 4.07Å; L133-A147 HydrophobicContact CG-CB 4.48Å; L133-A147 PolarHBondContact O-N 2.92Å; L133-V173 HydrophobicContact CD2-CG1 4.29Å; L133-A176 HydrophobicContact CD2-CB 3.61Å |
| 134 | V | 98.7 | Very high | 97.9 | Very high | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.012 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 129.7 | 172.3 | -68.6 | 0 | 0 | 0 | 0 | 110.4 | D81 Q83 V101 L144 L145 | D81-V134 HydrophobicContact CB-CG2 4.19Å; D81-V134 PolarHBondContact OD2-N 2.73Å; Q83-V134 HydrophobicContact CB-CG2 4.22Å; V101-V134 HydrophobicContact CG1-CG1 3.91Å; V101-V134 HydrophobicContact CG2-CG1 3.95Å; V134-L144 HydrophobicContact CB-CD1 4.44Å; V134-L145 CarbonylContact C-O 3.21Å; V134-L145 WeakPolarHBondContact CA-O 3.39Å |
| 135 | V | 98.6 | Very high | 97.9 | Very high | 28 Ų | 28 | 32.3 Ų | 32.3 | 17% | 0.17 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 117.6 | -175.8 | -173.9 | 0 | 0 | 0 | 0 | 110 | L133 L145 F178 | L133-V135 HydrophobicContact CD1-CG2 3.81Å; L133-V135 HydrophobicContact CG-CG2 4.09Å; V135-L145 HydrophobicContact CB-CB 4.33Å; V135-L145 HydrophobicContact CB-CD2 4.44Å; V135-L145 HydrophobicContact CG2-CD2 4.43Å; V135-L145 PolarHBondContact N-O 2.79Å; V135-L145 WeakPolarHBondContact O-CB 3.2Å; V135-L145 PolarHBondContact O-N 3.24Å; V135-F178 HydrophobicContact CG1-CD2 4.02Å; V135-F178 HydrophobicContact CG1-CE2 4.33Å |
| 136 | W | 98.7 | Very high | 98.1 | Very high | 15 Ų | 15 | 31 Ų | 31 | 6% | 0.057 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 147 | 174.3 | -70.4 | 97.2 | 0 | 0 | 0 | 111.5 | Q83 C85 P86 L91 A93 V103 L144 V158 | Q83-W136 PolarHBondContact O-NE1 2.87Å; C85-W136 HydrophobicContact CB-CD2 4.12Å; C85-W136 HydrophobicContact CB-CH2 4.46Å; C85-W136 HydrophobicContact CB-CZ2 4.03Å; P86-W136 HydrophobicContact CG-CB 4.1Å; L91-W136 HydrophobicContact CD2-CH2 3.81Å; L91-W136 HydrophobicContact CD2-CZ2 4.19Å; A93-W136 HydrophobicContact CB-CZ2 3.75Å; V103-W136 HydrophobicContact CG1-CH2 4.11Å; V103-W136 HydrophobicContact CG1-CZ2 4.12Å; V103-W136 HydrophobicContact CG2-CH2 4.42Å; W136-L144 HydrophobicContact CD2-CD1 3.67Å; W136-L144 HydrophobicContact CE3-CB 4.06Å; W136-L144 HydrophobicContact CE3-CD1 4.05Å; W136-L144 HydrophobicContact CG-CD1 3.88Å; W136-L144 HydrophobicContact CZ2-CD1 4.38Å; W136-L144 HydrophobicContact CZ3-CB 4.1Å; W136-V158 HydrophobicContact CH2-CB 4.32Å; W136-V158 HydrophobicContact CH2-CG1 4.21Å; W136-V158 HydrophobicContact CH2-CG2 3.83Å; W136-V158 HydrophobicContact CZ3-CB 4.33Å; W136-V158 HydrophobicContact CZ3-CG2 3.76Å |
| 137 | H | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | trans | -67.6 | 138.4 | 170.2 | -166.8 | -75.7 | 0 | 0 | 0 | 110.6 | P86 H87 T139 A140 V143 F178 G182 W373 | P86-H137 WeakPolarHBondContact CG-O 3.29Å; H87-H137 PolarHBondContact CE1-O 3.28Å; H137-T139 PolarHBondContact CE1-OG1 3.06Å; H137-T139 PolarHBondContact ND1-N 2.84Å; H137-T139 PolarHBondContact O-N 3.2Å; H137-A140 HydrophobicContact CB-CB 4.37Å; H137-A140 WeakPolarHBondContact ND1-CB 3.44Å; H137-A140 PolarHBondContact ND1-N 3.33Å; H137-V143 HydrophobicContact CB-CB 3.62Å; H137-V143 HydrophobicContact CB-CG1 3.83Å; H137-V143 WeakPolarHBondContact CB-O 3.48Å; H137-V143 PolarHBondContact N-O 2.77Å; H137-F178 AromaticContact CD2-CE1 3.78Å; H137-G182 WeakPolarHBondContact NE2-CA 3.5Å; H137-G182 PolarHBondContact NE2-O 3.03Å; H137-W373 AromaticContact CD2-CE2 3.73Å; H137-W373 AromaticContact CD2-CZ2 3.75Å; H137-W373 AromaticContact CD2-NE1 3.93Å; H137-W373 AromaticContact CE1-CD1 3.8Å; H137-W373 AromaticContact CE1-NE1 3.64Å; H137-W373 AromaticContact NE2-CD1 3.59Å; H137-W373 AromaticContact NE2-CE2 3.26Å; H137-W373 VanDerWaalsContact NE2-CE2 3.26Å; H137-W373 AromaticContact NE2-CZ2 3.61Å; H137-W373 AromaticContact NE2-NE1 2.99Å; H137-W373 PolarHBondContact NE2-NE1 2.95Å | ||
| 138 | P | 98.1 | Very high | 98.2 | Very high | 30 Ų | 30 | 28.9 Ų | 28.9 | 20% | 0.195 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -72.2 | -24 | -175.2 | 26.9 | -35.1 | 0 | 0 | 0 | 114.2 | H87 F178 | H87-P138 PolarHBondContact NE2-O 3.44Å; P138-F178 HydrophobicContact CG-CB 4.05Å |
| 139 | T | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -131.2 | -25.6 | -170.3 | 67.8 | 0 | 0 | 0 | 0 | 115 | H137 N181 P366 S367 L368 A379 P381 | H137-T139 PolarHBondContact CE1-OG1 3.06Å; H137-T139 PolarHBondContact ND1-N 2.84Å; H137-T139 PolarHBondContact O-N 3.2Å; T139-N181 PolarHBondContact OG1-O 3.06Å; T139-N181 VanDerWaalsContact OG1-O 3.09Å; T139-P366 CarbonylContact O-C 3.47Å; T139-P366 WeakPolarHBondContact O-CA 3.45Å; T139-P366 WeakPolarHBondContact O-CB 3.45Å; T139-S367 PolarHBondContact O-N 3.11Å; T139-L368 PolarHBondContact O-N 3.14Å; T139-L368 VanDerWaalsContact O-N 3.15Å; T139-A379 WeakPolarHBondContact CG2-O 3.47Å; T139-A379 PolarHBondContact OG1-O 3.45Å; T139-P381 HydrophobicContact CG2-CB 4.06Å; T139-P381 HydrophobicContact CG2-CG 3.61Å |
| 140 | A | 98.3 | Very high | 98.3 | Very high | 1 Ų | 1 | 16.6 Ų | 16.6 | 1% | 0.008 | 8% | 0.084 | C | C | . | . | B | Isolated β-bridge | trans | -91.4 | 124.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111 | H137 H142 V143 L368 W373 | H137-A140 HydrophobicContact CB-CB 4.37Å; H137-A140 WeakPolarHBondContact ND1-CB 3.44Å; H137-A140 PolarHBondContact ND1-N 3.33Å; A140-H142 PolarHBondContact O-N 2.85Å; A140-V143 HydrophobicContact CB-CB 4.09Å; A140-V143 HydrophobicContact CB-CG2 3.66Å; A140-V143 PolarHBondContact O-N 3.46Å; A140-L368 CarbonylContact C-O 3.56Å; A140-L368 WeakPolarHBondContact CA-O 3.48Å; A140-W373 HydrophobicContact CB-CB 3.66Å; A140-W373 HydrophobicContact CB-CD2 4.3Å; A140-W373 HydrophobicContact CB-CG 3.77Å |
| 141 | E | 97.2 | Very high | 98.3 | Very high | 48 Ų | 48 | 13.8 Ų | 13.8 | 22% | 0.224 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | 135.5 | 179.9 | -160.1 | 172.1 | -148.4 | 0 | 0 | 110.8 | V143 P366 L368 K395 | E141-V143 PolarHBondContact O-N 3.49Å; E141-P366 HydrophobicContact CB-CB 3.71Å; E141-P366 HydrophobicContact CB-CG 3.68Å; E141-P366 HydrophobicContact CG-CB 4.29Å; E141-P366 HydrophobicContact CG-CG 3.83Å; E141-L368 PolarHBondContact N-O 2.77Å; E141-K395 IonicContact OE1-NZ 3.24Å; E141-K395 PolarHBondContact OE1-NZ 3.45Å |
| 142 | H | 96.3 | Very high | 98.3 | Very high | 42 Ų | 42 | 15.6 Ų | 15.6 | 19% | 0.194 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | 6.1 | 176 | -55.8 | -49.8 | 0 | 0 | 0 | 116.5 | A140 V158 | A140-H142 PolarHBondContact O-N 2.85Å; H142-V158 HydrophobicContact CB-CB 4.32Å; H142-V158 WeakPolarHBondContact O-CB 3.46Å; H142-V158 WeakPolarHBondContact O-CG2 3.29Å; H142-V158 PolarHBondContact O-N 3.33Å |
| 143 | V | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 122.4 | 175.5 | -179.1 | 0 | 0 | 0 | 0 | 110 | H137 A140 E141 I155 W156 A370 W373 | H137-V143 HydrophobicContact CB-CB 3.62Å; H137-V143 HydrophobicContact CB-CG1 3.83Å; H137-V143 WeakPolarHBondContact CB-O 3.48Å; H137-V143 PolarHBondContact N-O 2.77Å; A140-V143 HydrophobicContact CB-CB 4.09Å; A140-V143 HydrophobicContact CB-CG2 3.66Å; A140-V143 PolarHBondContact O-N 3.46Å; E141-V143 PolarHBondContact O-N 3.49Å; V143-I155 HydrophobicContact CG1-CG2 3.6Å; V143-W156 VanDerWaalsContact CA-O 3.31Å; V143-W156 WeakPolarHBondContact CA-O 3.32Å; V143-A370 HydrophobicContact CG2-CB 3.74Å; V143-W373 HydrophobicContact CG1-CE3 4.17Å; V143-W373 HydrophobicContact CG1-CH2 4.26Å; V143-W373 HydrophobicContact CG1-CZ3 3.84Å; V143-W373 HydrophobicContact CG2-CE3 4.08Å |
| 144 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 139.1 | -179.7 | 179.8 | 69.7 | 0 | 0 | 0 | 110 | A93 V101 V103 L124 V134 W136 I155 W156 V158 | A93-L144 HydrophobicContact CB-CD1 4.09Å; A93-L144 HydrophobicContact CB-CD2 3.87Å; V101-L144 HydrophobicContact CG1-CD2 3.79Å; V103-L144 HydrophobicContact CG2-CD2 4.37Å; L124-L144 HydrophobicContact CD1-CD2 3.88Å; V134-L144 HydrophobicContact CB-CD1 4.44Å; W136-L144 HydrophobicContact CD2-CD1 3.67Å; W136-L144 HydrophobicContact CE3-CB 4.06Å; W136-L144 HydrophobicContact CE3-CD1 4.05Å; W136-L144 HydrophobicContact CG-CD1 3.88Å; W136-L144 HydrophobicContact CZ2-CD1 4.38Å; W136-L144 HydrophobicContact CZ3-CB 4.1Å; L144-I155 CarbonylContact O-C 3.58Å; L144-I155 WeakPolarHBondContact O-CA 3.39Å; L144-W156 HydrophobicContact CB-CB 4.45Å; L144-W156 PolarHBondContact N-O 2.8Å; L144-W156 VanDerWaalsContact N-O 3.11Å; L144-W156 VanDerWaalsContact O-CD1 3.29Å; L144-W156 PolarHBondContact O-N 3.08Å; L144-V158 HydrophobicContact CB-CG2 3.56Å; L144-V158 HydrophobicContact CD2-CG2 3.99Å; L144-V158 HydrophobicContact CG-CG2 4.43Å |
| 145 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 139.1 | 167.8 | -179.9 | 155.5 | 0 | 0 | 0 | 109.7 | V134 V135 V153 Y154 I155 A176 F178 L185 | V134-L145 CarbonylContact C-O 3.21Å; V134-L145 WeakPolarHBondContact CA-O 3.39Å; V135-L145 HydrophobicContact CB-CB 4.33Å; V135-L145 HydrophobicContact CB-CD2 4.44Å; V135-L145 HydrophobicContact CG2-CD2 4.43Å; V135-L145 PolarHBondContact N-O 2.79Å; V135-L145 WeakPolarHBondContact O-CB 3.2Å; V135-L145 PolarHBondContact O-N 3.24Å; L145-V153 HydrophobicContact CD1-CG1 3.76Å; L145-V153 HydrophobicContact CD2-CG1 3.97Å; L145-V153 HydrophobicContact CG-CG1 3.61Å; L145-Y154 CarbonylContact C-O 3.53Å; L145-Y154 WeakPolarHBondContact CA-O 3.23Å; L145-I155 HydrophobicContact CB-CD1 3.84Å; L145-I155 HydrophobicContact CD1-CD1 3.71Å; L145-I155 HydrophobicContact CG-CD1 3.84Å; L145-A176 HydrophobicContact CD1-CB 4.29Å; L145-A176 HydrophobicContact CD2-CB 4.08Å; L145-F178 HydrophobicContact CB-CE2 3.87Å; L145-F178 HydrophobicContact CB-CZ 4.03Å; L145-F178 HydrophobicContact CD1-CE2 4.21Å; L145-F178 HydrophobicContact CD1-CZ 4.07Å; L145-L185 HydrophobicContact CD1-CD1 3.53Å; L145-L185 HydrophobicContact CD1-CD2 3.54Å; L145-L185 HydrophobicContact CD1-CG 4.19Å |
| 146 | S | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 144.1 | 165 | 69.2 | 0 | 0 | 0 | 0 | 111.9 | H127 L133 V153 Y154 W156 | H127-S146 PolarHBondContact CD2-OG 2.98Å; H127-S146 PolarHBondContact NE2-OG 3.24Å; L133-S146 WeakPolarHBondContact O-CA 3.45Å; S146-V153 CarbonylContact O-C 3.55Å; S146-V153 VanDerWaalsContact O-CA 3.26Å; S146-V153 WeakPolarHBondContact O-CA 3.47Å; S146-Y154 PolarHBondContact N-O 2.96Å; S146-Y154 PolarHBondContact O-N 3.44Å; S146-W156 PolarHBondContact OG-NE1 3.39Å |
| 147 | A | 98.7 | Very high | 98.2 | Very high | 3 Ų | 3 | 12.8 Ų | 12.8 | 3% | 0.025 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 131.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | V131 G132 L133 K152 V153 V173 | V131-A147 WeakPolarHBondContact CG1-O 3.34Å; G132-A147 PolarHBondContact N-O 2.95Å; G132-A147 VanDerWaalsContact N-O 3.11Å; L133-A147 HydrophobicContact CB-CB 4.06Å; L133-A147 HydrophobicContact CD2-CB 4.07Å; L133-A147 HydrophobicContact CG-CB 4.48Å; L133-A147 PolarHBondContact O-N 2.92Å; A147-K152 WeakPolarHBondContact CA-O 3.47Å; A147-V153 HydrophobicContact CB-CG2 3.82Å; A147-V173 HydrophobicContact CB-CB 4.07Å; A147-V173 HydrophobicContact CB-CG1 4.23Å |
| 148 | G | 98.1 | Very high | 98.1 | Very high | 3 Ų | 3 | 13 Ų | 13 | 3% | 0.031 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 160.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | H127 R130 D150 N151 K152 | H127-G148 PolarHBondContact CE1-N 2.8Å; R130-G148 CarbonylContact O-C 3.59Å; R130-G148 WeakPolarHBondContact O-CA 3.47Å; G148-D150 WeakPolarHBondContact CA-OD1 3.19Å; G148-D150 PolarHBondContact O-N 3.49Å; G148-D150 VanDerWaalsContact O-N 3.09Å; G148-N151 PolarHBondContact O-N 2.88Å; G148-N151 VanDerWaalsContact O-N 3.15Å; G148-K152 PolarHBondContact N-O 2.88Å |
| 149 | A | 97.7 | Very high | 97.8 | Very high | 15 Ų | 15 | 13.8 Ų | 13.8 | 12% | 0.124 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | 7.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | R129 R130 I172 | R129-A149 HydrophobicContact CB-CB 4Å; R129-A149 WeakPolarHBondContact CD-O 3.34Å; R130-A149 HydrophobicContact CG-CB 3.64Å; R130-A149 PolarHBondContact O-N 3.22Å; A149-I172 HydrophobicContact CB-CD1 4.14Å; A149-I172 HydrophobicContact CB-CG1 4.45Å |
| 150 | D | 98 | Very high | 97.5 | Very high | 25 Ų | 25 | 15.1 Ų | 15.1 | 13% | 0.134 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 10.6 | 166.8 | 58.4 | -3.8 | 0 | 0 | 0 | 112.3 | H127 Q128 R129 G148 K152 | H127-D150 WeakPolarHBondContact CA-OD2 3.42Å; H127-D150 IonicContact CE1-OD1 2.98Å; H127-D150 IonicContact CG-OD2 3.29Å; H127-D150 IonicContact ND1-OD1 2.92Å; H127-D150 PolarHBondContact ND1-OD1 2.81Å; H127-D150 IonicContact ND1-OD2 3.52Å; H127-D150 PolarHBondContact ND1-OD2 3.12Å; Q128-D150 HydrophobicContact CB-CB 4.47Å; Q128-D150 PolarHBondContact N-OD2 2.69Å; R129-D150 HydrophobicContact CB-CB 4.11Å; R129-D150 HydrophobicContact CG-CB 4.17Å; G148-D150 WeakPolarHBondContact CA-OD1 3.19Å; G148-D150 PolarHBondContact O-N 3.49Å; G148-D150 VanDerWaalsContact O-N 3.09Å; D150-K152 PolarHBondContact O-N 3.05Å; D150-K152 PolarHBondContact OD1-N 2.84Å |
| 151 | N | 98.2 | Very high | 97.3 | Very high | 44 Ų | 44 | 17.4 Ų | 17.4 | 24% | 0.235 | 9% | 0.094 | C | C | . | . | S | Bend | trans | 62.1 | 23.8 | 178.5 | -49 | -12 | 0 | 0 | 0 | 112.5 | G148 F169 D171 I172 | G148-N151 PolarHBondContact O-N 2.88Å; G148-N151 VanDerWaalsContact O-N 3.15Å; N151-F169 WeakPolarHBondContact CB-O 3.17Å; N151-F169 PolarHBondContact O-N 3.11Å; N151-D171 WeakPolarHBondContact CB-O 3.09Å; N151-D171 WeakPolarHBondContact ND2-CA 3.32Å; N151-I172 WeakPolarHBondContact OD1-CG1 3.29Å; N151-I172 PolarHBondContact OD1-N 2.89Å |
| 152 | K | 98.3 | Very high | 96.9 | Very high | 38 Ų | 38 | 17 Ų | 17 | 17% | 0.165 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 148.5 | 175.6 | -61.6 | -169.7 | -178.4 | -164.4 | 0 | 110.6 | H127 A147 G148 D150 Y154 E166 I167 | H127-K152 PolarHBondContact CE1-O 3.5Å; H127-K152 VanDerWaalsContact CE1-O 3.3Å; A147-K152 WeakPolarHBondContact CA-O 3.47Å; G148-K152 PolarHBondContact N-O 2.88Å; D150-K152 PolarHBondContact O-N 3.05Å; D150-K152 PolarHBondContact OD1-N 2.84Å; K152-Y154 HydrophobicContact CB-CE2 3.99Å; K152-Y154 HydrophobicContact CD-CE2 3.96Å; K152-Y154 VanDerWaalsContact CD-OH 3.24Å; K152-Y154 WeakPolarHBondContact CD-OH 3.44Å; K152-Y154 PolarHBondContact NZ-OH 3.39Å; K152-E166 HydrophobicContact CD-CG 4.29Å; K152-E166 WeakPolarHBondContact CD-OE1 3.42Å; K152-E166 VanDerWaalsContact CE-OE1 3.23Å; K152-E166 WeakPolarHBondContact CE-OE1 3.21Å; K152-E166 IonicContact NZ-OE1 3.76Å; K152-E166 PolarHBondContact NZ-OE1 2.88Å; K152-E166 IonicContact NZ-OE2 2.76Å; K152-E166 PolarHBondContact NZ-OE2 3.14Å; K152-I167 CarbonylContact C-O 3.56Å; K152-I167 WeakPolarHBondContact CA-O 3.37Å |
| 153 | V | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 132.1 | 164.4 | 175.8 | 0 | 0 | 0 | 0 | 107.4 | L145 S146 A147 I167 F169 V173 | L145-V153 HydrophobicContact CD1-CG1 3.76Å; L145-V153 HydrophobicContact CD2-CG1 3.97Å; L145-V153 HydrophobicContact CG-CG1 3.61Å; S146-V153 CarbonylContact O-C 3.55Å; S146-V153 VanDerWaalsContact O-CA 3.26Å; S146-V153 WeakPolarHBondContact O-CA 3.47Å; A147-V153 HydrophobicContact CB-CG2 3.82Å; V153-I167 HydrophobicContact CB-CB 4.23Å; V153-I167 HydrophobicContact CG1-CD1 4.48Å; V153-I167 PolarHBondContact N-O 3.44Å; V153-I167 PolarHBondContact O-N 3.13Å; V153-F169 HydrophobicContact CB-CE2 4.08Å; V153-F169 HydrophobicContact CG2-CD2 3.88Å; V153-F169 HydrophobicContact CG2-CE2 3.56Å; V153-V173 HydrophobicContact CG2-CB 4.27Å; V153-V173 HydrophobicContact CG2-CG1 4.43Å; V153-V173 HydrophobicContact CG2-CG2 3.75Å |
| 154 | Y | 98.7 | Very high | 96.8 | Very high | 10 Ų | 10 | 19.5 Ų | 19.5 | 4% | 0.039 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 137.7 | 171.9 | -72.1 | -78.2 | 0 | 0 | 0 | 109.7 | C126 H127 L145 S146 K152 W156 P163 V165 E166 | C126-Y154 HydrophobicContact CB-CD1 4.4Å; C126-Y154 HydrophobicContact CB-CD2 4.05Å; C126-Y154 HydrophobicContact CB-CE1 4Å; C126-Y154 HydrophobicContact CB-CE2 3.65Å; C126-Y154 HydrophobicContact CB-CG 4.43Å; H127-Y154 AromaticContact CD2-CD2 3.94Å; H127-Y154 AromaticContact CE1-CD2 3.45Å; H127-Y154 VanDerWaalsContact CE1-CD2 3.45Å; H127-Y154 WeakPolarHBondContact CE1-CD2 3.46Å; H127-Y154 AromaticContact CE1-CE2 3.91Å; H127-Y154 AromaticContact ND1-CD2 3.83Å; H127-Y154 AromaticContact ND1-CE2 3.84Å; H127-Y154 AromaticContact NE2-CD2 3.54Å; L145-Y154 CarbonylContact C-O 3.53Å; L145-Y154 WeakPolarHBondContact CA-O 3.23Å; S146-Y154 PolarHBondContact N-O 2.96Å; S146-Y154 PolarHBondContact O-N 3.44Å; K152-Y154 HydrophobicContact CB-CE2 3.99Å; K152-Y154 HydrophobicContact CD-CE2 3.96Å; K152-Y154 VanDerWaalsContact CD-OH 3.24Å; K152-Y154 WeakPolarHBondContact CD-OH 3.44Å; K152-Y154 PolarHBondContact NZ-OH 3.39Å; Y154-W156 VanDerWaalsContact CB-CE2 3.42Å; Y154-W156 VanDerWaalsContact CB-NE1 3.3Å; Y154-W156 HydrophobicContact CD2-CZ2 4.08Å; Y154-W156 AromaticContact CG-CZ2 3.86Å; Y154-W156 HydrophobicContact CG-CZ2 3.86Å; Y154-P163 HydrophobicContact CD1-CB 4Å; Y154-V165 WeakPolarHBondContact CA-O 3.35Å; Y154-E166 HydrophobicContact CD1-CB 4Å; Y154-E166 HydrophobicContact CD1-CG 4.25Å; Y154-E166 HydrophobicContact CE1-CB 3.61Å; Y154-E166 HydrophobicContact CE1-CG 3.57Å; Y154-E166 WeakPolarHBondContact CE1-OE2 3.47Å; Y154-E166 VanDerWaalsContact OH-CD 3.32Å; Y154-E166 PolarHBondContact OH-OE2 3.38Å |
| 155 | I | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 129.3 | 163.6 | -52 | -58.2 | 0 | 0 | 0 | 106.9 | V143 L144 L145 P163 L164 V165 F178 P199 W373 | V143-I155 HydrophobicContact CG1-CG2 3.6Å; L144-I155 CarbonylContact O-C 3.58Å; L144-I155 WeakPolarHBondContact O-CA 3.39Å; L145-I155 HydrophobicContact CB-CD1 3.84Å; L145-I155 HydrophobicContact CD1-CD1 3.71Å; L145-I155 HydrophobicContact CG-CD1 3.84Å; I155-P163 CarbonylContact O-C 3.51Å; I155-L164 HydrophobicContact CG2-CD1 4.37Å; I155-L164 WeakPolarHBondContact O-CB 3.18Å; I155-L164 PolarHBondContact O-N 3.49Å; I155-V165 HydrophobicContact CB-CB 4.05Å; I155-V165 HydrophobicContact CB-CG2 4.35Å; I155-V165 HydrophobicContact CG1-CB 4.08Å; I155-V165 PolarHBondContact N-O 3.46Å; I155-V165 PolarHBondContact O-N 2.73Å; I155-F178 HydrophobicContact CD1-CZ 4.14Å; I155-P199 HydrophobicContact CD1-CB 4.43Å; I155-W373 HydrophobicContact CG2-CH2 3.98Å; I155-W373 HydrophobicContact CG2-CZ3 3.89Å |
| 156 | W | 98.5 | Very high | 96.7 | Very high | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.008 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 148.1 | -172.5 | -55.9 | 92.3 | 0 | 0 | 0 | 111.3 | L124 C126 V143 L144 S146 Y154 E162 P163 | L124-W156 HydrophobicContact CB-CD2 4.09Å; L124-W156 HydrophobicContact CB-CE3 4Å; L124-W156 HydrophobicContact CB-CH2 3.95Å; L124-W156 HydrophobicContact CB-CZ2 4.09Å; L124-W156 HydrophobicContact CB-CZ3 3.93Å; L124-W156 HydrophobicContact CD1-CB 4.09Å; L124-W156 HydrophobicContact CD1-CD2 3.92Å; L124-W156 HydrophobicContact CD1-CE3 4.37Å; L124-W156 HydrophobicContact CD1-CG 3.78Å; L124-W156 HydrophobicContact CD2-CE3 4.14Å; L124-W156 HydrophobicContact CG-CD2 4.4Å; L124-W156 HydrophobicContact CG-CE3 4.4Å; C126-W156 HydrophobicContact CB-CH2 3.46Å; C126-W156 VanDerWaalsContact CB-CH2 3.46Å; C126-W156 HydrophobicContact CB-CZ2 4.01Å; C126-W156 HydrophobicContact CB-CZ3 4.45Å; C126-W156 WeakPolarHBondContact SG-CH2 2.84Å; V143-W156 VanDerWaalsContact CA-O 3.31Å; V143-W156 WeakPolarHBondContact CA-O 3.32Å; L144-W156 HydrophobicContact CB-CB 4.45Å; L144-W156 PolarHBondContact N-O 2.8Å; L144-W156 VanDerWaalsContact N-O 3.11Å; L144-W156 VanDerWaalsContact O-CD1 3.29Å; L144-W156 PolarHBondContact O-N 3.08Å; S146-W156 PolarHBondContact OG-NE1 3.39Å; Y154-W156 VanDerWaalsContact CB-CE2 3.42Å; Y154-W156 VanDerWaalsContact CB-NE1 3.3Å; Y154-W156 HydrophobicContact CD2-CZ2 4.08Å; Y154-W156 AromaticContact CG-CZ2 3.86Å; Y154-W156 HydrophobicContact CG-CZ2 3.86Å; W156-E162 WeakPolarHBondContact CA-O 3.48Å; W156-P163 HydrophobicContact CE3-CB 3.87Å; W156-P163 HydrophobicContact CH2-CB 4.34Å; W156-P163 HydrophobicContact CZ3-CB 3.77Å; W156-P163 HydrophobicContact CZ3-CG 4.14Å |
| 157 | N | 96.9 | Very high | 96.7 | Very high | 7 Ų | 7 | 24.4 Ų | 24.4 | 4% | 0.037 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 105.9 | 151.9 | -176.2 | -14.7 | 0 | 0 | 0 | 107.8 | S159 T160 E161 E162 L164 A370 | N157-S159 PolarHBondContact O-N 2.82Å; N157-S159 WeakPolarHBondContact OD1-CB 3.46Å; N157-S159 PolarHBondContact OD1-N 2.82Å; N157-S159 PolarHBondContact OD1-OG 3.31Å; N157-T160 WeakPolarHBondContact CB-OG1 3.3Å; N157-T160 PolarHBondContact O-N 3.05Å; N157-T160 PolarHBondContact O-OG1 2.77Å; N157-E161 PolarHBondContact O-N 2.95Å; N157-E162 PolarHBondContact N-O 2.81Å; N157-E162 PolarHBondContact O-N 2.75Å; N157-L164 HydrophobicContact CB-CD1 3.97Å; N157-L164 HydrophobicContact CB-CD2 3.95Å; N157-L164 HydrophobicContact CB-CG 4.03Å; N157-A370 HydrophobicContact CB-CB 4.49Å |
| 158 | V | 96.2 | Very high | 96.7 | Very high | 4 Ų | 4 | 31.8 Ų | 31.8 | 2% | 0.024 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -29.6 | -176.8 | 173.7 | 0 | 0 | 0 | 0 | 112.2 | V103 A122 L124 W136 H142 L144 T160 | V103-V158 HydrophobicContact CB-CG1 4Å; V103-V158 HydrophobicContact CG1-CG1 4.04Å; V103-V158 HydrophobicContact CG2-CG1 3.62Å; V103-V158 HydrophobicContact CG2-CG2 4.26Å; A122-V158 HydrophobicContact CB-CG1 3.83Å; L124-V158 HydrophobicContact CD1-CG2 4.24Å; W136-V158 HydrophobicContact CH2-CB 4.32Å; W136-V158 HydrophobicContact CH2-CG1 4.21Å; W136-V158 HydrophobicContact CH2-CG2 3.83Å; W136-V158 HydrophobicContact CZ3-CB 4.33Å; W136-V158 HydrophobicContact CZ3-CG2 3.76Å; H142-V158 HydrophobicContact CB-CB 4.32Å; H142-V158 WeakPolarHBondContact O-CB 3.46Å; H142-V158 WeakPolarHBondContact O-CG2 3.29Å; H142-V158 PolarHBondContact O-N 3.33Å; L144-V158 HydrophobicContact CB-CG2 3.56Å; L144-V158 HydrophobicContact CD2-CG2 3.99Å; L144-V158 HydrophobicContact CG-CG2 4.43Å; V158-T160 VanDerWaalsContact C-N 3.32Å; V158-T160 PolarHBondContact O-N 2.81Å |
| 159 | S | 91.4 | Very high | 96.7 | Very high | 47 Ų | 47 | 32.4 Ų | 32.4 | 33% | 0.329 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -27.2 | -178.3 | 68.5 | 0 | 0 | 0 | 0 | 113.5 | N157 | N157-S159 PolarHBondContact O-N 2.82Å; N157-S159 WeakPolarHBondContact OD1-CB 3.46Å; N157-S159 PolarHBondContact OD1-N 2.82Å; N157-S159 PolarHBondContact OD1-OG 3.31Å |
| 160 | T | 91.9 | Very high | 96.7 | Very high | 29 Ų | 29 | 36 Ų | 36 | 18% | 0.178 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | -3.8 | 178.4 | 62.2 | 0 | 0 | 0 | 0 | 112.9 | N157 V158 E162 | N157-T160 WeakPolarHBondContact CB-OG1 3.3Å; N157-T160 PolarHBondContact O-N 3.05Å; N157-T160 PolarHBondContact O-OG1 2.77Å; V158-T160 VanDerWaalsContact C-N 3.32Å; V158-T160 PolarHBondContact O-N 2.81Å; T160-E162 PolarHBondContact O-N 2.74Å; T160-E162 WeakPolarHBondContact OG1-CB 3.35Å; T160-E162 WeakPolarHBondContact OG1-CG 3.47Å; T160-E162 PolarHBondContact OG1-OE2 3.05Å |
| 161 | E | 94.3 | Very high | 96.7 | Very high | 49 Ų | 49 | 37 Ų | 37 | 23% | 0.229 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 19.6 | -170.5 | -54.1 | -174.3 | 160.2 | 0 | 0 | 113.5 | A122 D123 L124 N157 | A122-E161 VanDerWaalsContact CA-OE1 3.25Å; A122-E161 WeakPolarHBondContact CA-OE1 3.27Å; A122-E161 HydrophobicContact CB-CG 4.1Å; D123-E161 PolarHBondContact N-OE1 3.32Å; L124-E161 HydrophobicContact CD2-CB 4.05Å; L124-E161 HydrophobicContact CD2-CG 4.28Å; N157-E161 PolarHBondContact O-N 2.95Å |
| 162 | E | 89.4 | Confident | 96.6 | Very high | 38 Ų | 38 | 36.6 Ų | 36.6 | 18% | 0.178 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 133.1 | -174.8 | -66.9 | -177.4 | 137.4 | 0 | 0 | 112.4 | W156 N157 T160 L164 R507 | W156-E162 WeakPolarHBondContact CA-O 3.48Å; N157-E162 PolarHBondContact N-O 2.81Å; N157-E162 PolarHBondContact O-N 2.75Å; T160-E162 PolarHBondContact O-N 2.74Å; T160-E162 WeakPolarHBondContact OG1-CB 3.35Å; T160-E162 WeakPolarHBondContact OG1-CG 3.47Å; T160-E162 PolarHBondContact OG1-OE2 3.05Å; E162-L164 PolarHBondContact O-N 3.45Å; E162-R507 IonicContact OE1-CZ 3.23Å; E162-R507 VanDerWaalsContact OE1-CZ 3.31Å; E162-R507 IonicContact OE1-NE 3.66Å; E162-R507 PolarHBondContact OE1-NE 2.79Å; E162-R507 IonicContact OE1-NH2 3.11Å; E162-R507 PolarHBondContact OE1-NH2 3.14Å |
| 163 | P | 96.3 | Very high | 96.6 | Very high | 48 Ų | 48 | 35.1 Ų | 35.1 | 31% | 0.312 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 113.3 | 165.1 | 30.4 | -31.8 | 0 | 0 | 0 | 109 | Y154 I155 W156 | Y154-P163 HydrophobicContact CD1-CB 4Å; I155-P163 CarbonylContact O-C 3.51Å; W156-P163 HydrophobicContact CE3-CB 3.87Å; W156-P163 HydrophobicContact CH2-CB 4.34Å; W156-P163 HydrophobicContact CZ3-CB 3.77Å; W156-P163 HydrophobicContact CZ3-CG 4.14Å |
| 164 | L | 96.5 | Very high | 96.6 | Very high | 47 Ų | 47 | 37.5 Ų | 37.5 | 25% | 0.246 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | -39.2 | 177.6 | -59.5 | 173 | 0 | 0 | 0 | 111.6 | I155 N157 E162 M374 | I155-L164 HydrophobicContact CG2-CD1 4.37Å; I155-L164 WeakPolarHBondContact O-CB 3.18Å; I155-L164 PolarHBondContact O-N 3.49Å; N157-L164 HydrophobicContact CB-CD1 3.97Å; N157-L164 HydrophobicContact CB-CD2 3.95Å; N157-L164 HydrophobicContact CB-CG 4.03Å; E162-L164 PolarHBondContact O-N 3.45Å; L164-M374 HydrophobicContact CB-CE 4.1Å; L164-M374 HydrophobicContact CB-CG 4.46Å; L164-M374 HydrophobicContact CB-SD 3.98Å; L164-M374 HydrophobicContact CD1-CG 3.71Å; L164-M374 HydrophobicContact CD1-SD 3.94Å; L164-M374 HydrophobicContact CD2-CG 4.26Å; L164-M374 HydrophobicContact CG-CG 4.37Å; L164-M374 HydrophobicContact CG-SD 4.47Å |
| 165 | V | 98 | Very high | 96.6 | Very high | 15 Ų | 15 | 37.1 Ų | 37.1 | 9% | 0.091 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 136.2 | -176.1 | -172 | 0 | 0 | 0 | 0 | 109.9 | Y154 I155 I167 R200 M374 | Y154-V165 WeakPolarHBondContact CA-O 3.35Å; I155-V165 HydrophobicContact CB-CB 4.05Å; I155-V165 HydrophobicContact CB-CG2 4.35Å; I155-V165 HydrophobicContact CG1-CB 4.08Å; I155-V165 PolarHBondContact N-O 3.46Å; I155-V165 PolarHBondContact O-N 2.73Å; V165-I167 HydrophobicContact CG1-CD1 4.43Å; V165-I167 HydrophobicContact CG1-CG1 3.85Å; V165-R200 VanDerWaalsContact CG2-O 3.29Å; V165-R200 WeakPolarHBondContact CG2-O 3.39Å; V165-M374 HydrophobicContact CG2-CE 3.92Å; V165-M374 HydrophobicContact CG2-SD 4.35Å |
| 166 | E | 98.2 | Very high | 96.6 | Very high | 81 Ų | 81 | 37.7 Ų | 37.7 | 38% | 0.379 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 125.9 | 166.4 | 179.9 | 175.9 | 143.9 | 0 | 0 | 109.3 | K152 Y154 K168 | K152-E166 HydrophobicContact CD-CG 4.29Å; K152-E166 WeakPolarHBondContact CD-OE1 3.42Å; K152-E166 VanDerWaalsContact CE-OE1 3.23Å; K152-E166 WeakPolarHBondContact CE-OE1 3.21Å; K152-E166 IonicContact NZ-OE1 3.76Å; K152-E166 PolarHBondContact NZ-OE1 2.88Å; K152-E166 IonicContact NZ-OE2 2.76Å; K152-E166 PolarHBondContact NZ-OE2 3.14Å; Y154-E166 HydrophobicContact CD1-CB 4Å; Y154-E166 HydrophobicContact CD1-CG 4.25Å; Y154-E166 HydrophobicContact CE1-CB 3.61Å; Y154-E166 HydrophobicContact CE1-CG 3.57Å; Y154-E166 WeakPolarHBondContact CE1-OE2 3.47Å; Y154-E166 VanDerWaalsContact OH-CD 3.32Å; Y154-E166 PolarHBondContact OH-OE2 3.38Å; E166-K168 WeakPolarHBondContact OE1-CE 3.47Å; E166-K168 IonicContact OE1-NZ 3.23Å |
| 167 | I | 98.3 | Very high | 96.6 | Very high | 8 Ų | 8 | 38.9 Ų | 38.9 | 4% | 0.041 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 124.5 | 177.3 | -43.8 | 175.2 | 0 | 0 | 0 | 108.3 | K152 V153 V165 F169 V197 | K152-I167 CarbonylContact C-O 3.56Å; K152-I167 WeakPolarHBondContact CA-O 3.37Å; V153-I167 HydrophobicContact CB-CB 4.23Å; V153-I167 HydrophobicContact CG1-CD1 4.48Å; V153-I167 PolarHBondContact N-O 3.44Å; V153-I167 PolarHBondContact O-N 3.13Å; V165-I167 HydrophobicContact CG1-CD1 4.43Å; V165-I167 HydrophobicContact CG1-CG1 3.85Å; I167-F169 HydrophobicContact CB-CE2 4.07Å; I167-F169 HydrophobicContact CG2-CD2 4.17Å; I167-F169 HydrophobicContact CG2-CE2 3.52Å; I167-F169 HydrophobicContact CG2-CZ 4.12Å; I167-V197 HydrophobicContact CD1-CG1 4.2Å |
| 168 | K | 97.9 | Very high | 96.6 | Very high | 157 Ų | 157 | 39.2 Ų | 39.2 | 68% | 0.683 | 21% | 0.211 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 130.9 | 178.9 | -64.7 | 179.2 | -177 | 174.6 | 0 | 110.3 | E166 | E166-K168 WeakPolarHBondContact OE1-CE 3.47Å; E166-K168 IonicContact OE1-NZ 3.23Å |
| 169 | F | 98.1 | Very high | 96.7 | Very high | 17 Ų | 17 | 39.1 Ų | 39.1 | 8% | 0.075 | 21% | 0.211 | C | C | . | . | trans | -110.8 | 156.3 | 175.1 | -74.7 | -98.6 | 0 | 0 | 0 | 111.1 | N151 V153 I167 D171 V173 T187 V197 | N151-F169 WeakPolarHBondContact CB-O 3.17Å; N151-F169 PolarHBondContact O-N 3.11Å; V153-F169 HydrophobicContact CB-CE2 4.08Å; V153-F169 HydrophobicContact CG2-CD2 3.88Å; V153-F169 HydrophobicContact CG2-CE2 3.56Å; I167-F169 HydrophobicContact CB-CE2 4.07Å; I167-F169 HydrophobicContact CG2-CD2 4.17Å; I167-F169 HydrophobicContact CG2-CE2 3.52Å; I167-F169 HydrophobicContact CG2-CZ 4.12Å; F169-D171 VanDerWaalsContact C-N 3.27Å; F169-D171 WeakPolarHBondContact CB-O 3.36Å; F169-D171 PolarHBondContact O-N 2.82Å; F169-V173 HydrophobicContact CB-CG2 4.02Å; F169-V173 HydrophobicContact CD1-CG2 3.88Å; F169-V173 HydrophobicContact CD2-CG2 3.57Å; F169-V173 HydrophobicContact CE1-CG2 4.21Å; F169-V173 HydrophobicContact CE2-CG2 3.93Å; F169-V173 HydrophobicContact CG-CG2 3.54Å; F169-V173 HydrophobicContact CZ-CG2 4.23Å; F169-T187 HydrophobicContact CE1-CG2 4.44Å; F169-T187 WeakPolarHBondContact CE1-OG1 3.45Å; F169-T187 HydrophobicContact CZ-CG2 3.99Å; F169-V197 HydrophobicContact CZ-CG2 4.17Å | ||
| 170 | P | 97.7 | Very high | 97 | Very high | 89 Ų | 89 | 38.8 Ų | 38.8 | 58% | 0.578 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -65.9 | -27.7 | 177.3 | -23.1 | 35.4 | 0 | 0 | 0 | 114.1 | ||
| 171 | D | 97.9 | Very high | 97.3 | Very high | 48 Ų | 48 | 38.9 Ų | 38.9 | 26% | 0.257 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -147.5 | -175.6 | 179.4 | -153.4 | -22 | 0 | 0 | 0 | 109.7 | N151 F169 V173 C189 K190 D191 | N151-D171 WeakPolarHBondContact CB-O 3.09Å; N151-D171 WeakPolarHBondContact ND2-CA 3.32Å; F169-D171 VanDerWaalsContact C-N 3.27Å; F169-D171 WeakPolarHBondContact CB-O 3.36Å; F169-D171 PolarHBondContact O-N 2.82Å; D171-V173 PolarHBondContact O-N 2.86Å; D171-C189 VanDerWaalsContact C-SG 3.58Å; D171-C189 PolarHBondContact O-SG 3.09Å; D171-C189 VanDerWaalsContact O-SG 3.39Å; D171-K190 HydrophobicContact CB-CB 4.12Å; D171-D191 HydrophobicContact CB-CB 4.17Å |
| 172 | I | 97.5 | Very high | 97.5 | Very high | 35 Ų | 35 | 36.5 Ų | 36.5 | 18% | 0.179 | 19% | 0.191 | C | C | . | . | trans | -62.9 | 127.3 | -177.4 | -57.8 | 174.3 | 0 | 0 | 0 | 110.1 | A149 N151 L174 C189 K190 | A149-I172 HydrophobicContact CB-CD1 4.14Å; A149-I172 HydrophobicContact CB-CG1 4.45Å; N151-I172 WeakPolarHBondContact OD1-CG1 3.29Å; N151-I172 PolarHBondContact OD1-N 2.89Å; I172-L174 HydrophobicContact CG2-CD2 4.49Å; I172-C189 WeakPolarHBondContact O-CA 3.29Å; I172-K190 HydrophobicContact CB-CB 4.37Å; I172-K190 HydrophobicContact CD1-CD 4.46Å; I172-K190 WeakPolarHBondContact O-CB 3.45Å; I172-K190 PolarHBondContact O-N 2.94Å | ||
| 173 | V | 98.3 | Very high | 97.9 | Very high | 7 Ų | 7 | 35.6 Ų | 35.6 | 4% | 0.042 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 125.2 | 169.3 | 175.8 | 0 | 0 | 0 | 0 | 108.9 | L133 A147 V153 F169 D171 S175 T187 T188 | L133-V173 HydrophobicContact CD2-CG1 4.29Å; A147-V173 HydrophobicContact CB-CB 4.07Å; A147-V173 HydrophobicContact CB-CG1 4.23Å; V153-V173 HydrophobicContact CG2-CB 4.27Å; V153-V173 HydrophobicContact CG2-CG1 4.43Å; V153-V173 HydrophobicContact CG2-CG2 3.75Å; F169-V173 HydrophobicContact CB-CG2 4.02Å; F169-V173 HydrophobicContact CD1-CG2 3.88Å; F169-V173 HydrophobicContact CD2-CG2 3.57Å; F169-V173 HydrophobicContact CE1-CG2 4.21Å; F169-V173 HydrophobicContact CE2-CG2 3.93Å; F169-V173 HydrophobicContact CG-CG2 3.54Å; F169-V173 HydrophobicContact CZ-CG2 4.23Å; D171-V173 PolarHBondContact O-N 2.86Å; V173-S175 WeakPolarHBondContact CG1-O 3.42Å; V173-T187 HydrophobicContact CG1-CG2 4.32Å; V173-T188 CarbonylContact C-O 3.58Å; V173-T188 WeakPolarHBondContact CA-O 3.4Å |
| 174 | L | 97.7 | Very high | 97.9 | Very high | 50 Ų | 50 | 36 Ų | 36 | 26% | 0.262 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | -41.9 | -174.6 | -60.5 | 172.7 | 0 | 0 | 0 | 111.5 | I172 T188 K190 P216 | I172-L174 HydrophobicContact CG2-CD2 4.49Å; L174-T188 PolarHBondContact N-O 2.98Å; L174-K190 HydrophobicContact CD1-CB 4.29Å; L174-K190 HydrophobicContact CD2-CB 4.38Å; L174-K190 HydrophobicContact CG-CB 4.36Å; L174-P216 HydrophobicContact CD1-CB 4.03Å |
| 175 | S | 98.2 | Very high | 98 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.014 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 154.2 | 175.5 | 81.3 | 0 | 0 | 0 | 0 | 111 | V173 T187 T188 E218 A219 | V173-S175 WeakPolarHBondContact CG1-O 3.42Å; S175-T187 VanDerWaalsContact O-CA 3.25Å; S175-T187 WeakPolarHBondContact O-CA 3.41Å; S175-T188 WeakPolarHBondContact CB-OG1 3.44Å; S175-T188 PolarHBondContact N-OG1 2.88Å; S175-T188 PolarHBondContact O-N 2.98Å; S175-T188 WeakPolarHBondContact OG-CG2 3.47Å; S175-T188 PolarHBondContact OG-OG1 3.39Å; S175-E218 WeakPolarHBondContact CB-OE2 3.26Å; S175-A219 PolarHBondContact OG-N 3.43Å; S175-A219 VanDerWaalsContact OG-N 3.07Å |
| 176 | A | 98.5 | Very high | 98.1 | Very high | 12 Ų | 12 | 33 Ų | 33 | 10% | 0.099 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 140.6 | 174 | 0 | 0 | 0 | 0 | 0 | 110.2 | L133 L145 L185 V186 T187 | L133-A176 HydrophobicContact CD2-CB 3.61Å; L145-A176 HydrophobicContact CD1-CB 4.29Å; L145-A176 HydrophobicContact CD2-CB 4.08Å; A176-L185 HydrophobicContact CB-CD1 4.2Å; A176-V186 CarbonylContact C-O 3.56Å; A176-V186 VanDerWaalsContact CA-O 3.27Å; A176-V186 WeakPolarHBondContact CA-O 3.25Å; A176-T187 HydrophobicContact CB-CG2 4.07Å |
| 177 | C | 98.6 | Very high | 98.1 | Very high | 26 Ų | 26 | 29.1 Ų | 29.1 | 18% | 0.176 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 125.3 | 179 | -178 | 0 | 0 | 0 | 0 | 110.2 | V186 I220 Y221 | C177-V186 HydrophobicContact CB-CG1 3.78Å; C177-V186 PolarHBondContact N-O 2.96Å; C177-V186 PolarHBondContact O-N 3.07Å; C177-I220 HydrophobicContact CB-CB 4.37Å; C177-I220 HydrophobicContact CB-CG2 4.27Å; C177-Y221 WeakPolarHBondContact O-CD2 3.17Å; C177-Y221 WeakPolarHBondContact O-CE2 3.41Å; C177-Y221 PolarHBondContact SG-N 3.05Å; C177-Y221 VanDerWaalsContact SG-N 3.45Å |
| 178 | F | 98.6 | Very high | 98.1 | Very high | 14 Ų | 14 | 28.8 Ų | 28.8 | 6% | 0.061 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 147 | 168.8 | -73.3 | -76.9 | 0 | 0 | 0 | 110 | V135 H137 P138 L145 I155 R184 L185 P199 | V135-F178 HydrophobicContact CG1-CD2 4.02Å; V135-F178 HydrophobicContact CG1-CE2 4.33Å; H137-F178 AromaticContact CD2-CE1 3.78Å; P138-F178 HydrophobicContact CG-CB 4.05Å; L145-F178 HydrophobicContact CB-CE2 3.87Å; L145-F178 HydrophobicContact CB-CZ 4.03Å; L145-F178 HydrophobicContact CD1-CE2 4.21Å; L145-F178 HydrophobicContact CD1-CZ 4.07Å; I155-F178 HydrophobicContact CD1-CZ 4.14Å; F178-R184 WeakPolarHBondContact CA-O 3.41Å; F178-L185 HydrophobicContact CD1-CD1 4.09Å; F178-L185 HydrophobicContact CD2-CD1 4.39Å; F178-L185 HydrophobicContact CE1-CD1 4.15Å; F178-L185 HydrophobicContact CE2-CD1 4.44Å; F178-L185 HydrophobicContact CG-CD1 4.21Å; F178-L185 HydrophobicContact CZ-CD1 4.33Å; F178-P199 HydrophobicContact CD1-CG 4.45Å; F178-P199 HydrophobicContact CE1-CB 3.86Å; F178-P199 HydrophobicContact CE1-CG 4.01Å |
| 179 | N | 98.2 | Very high | 98.1 | Very high | 3 Ų | 3 | 21.4 Ų | 21.4 | 2% | 0.016 | 12% | 0.116 | C | C | . | . | trans | -73 | 177.9 | 168.8 | 76.5 | -31 | 0 | 0 | 0 | 111.3 | N181 G182 S183 R184 Y221 D225 | N179-N181 VanDerWaalsContact C-N 3.28Å; N179-N181 PolarHBondContact ND2-OD1 2.84Å; N179-N181 PolarHBondContact O-N 3.46Å; N179-N181 VanDerWaalsContact O-N 3.12Å; N179-N181 PolarHBondContact OD1-OD1 2.81Å; N179-G182 PolarHBondContact O-N 2.92Å; N179-G182 WeakPolarHBondContact OD1-CA 3.32Å; N179-G182 PolarHBondContact OD1-N 3.42Å; N179-G182 VanDerWaalsContact OD1-N 3.12Å; N179-S183 PolarHBondContact ND2-OG 3.45Å; N179-S183 PolarHBondContact OD1-N 2.72Å; N179-S183 PolarHBondContact OD1-OG 2.9Å; N179-R184 HydrophobicContact CB-CB 4.35Å; N179-R184 PolarHBondContact N-O 2.94Å; N179-R184 PolarHBondContact OD1-N 2.94Å; N179-R184 PolarHBondContact OD1-O 3.02Å; N179-Y221 VanDerWaalsContact CA-CD2 3.4Å; N179-Y221 HydrophobicContact CB-CD1 3.86Å; N179-Y221 HydrophobicContact CB-CD2 3.55Å; N179-Y221 HydrophobicContact CB-CE1 4.08Å; N179-Y221 HydrophobicContact CB-CE2 3.73Å; N179-Y221 HydrophobicContact CB-CG 3.59Å; N179-Y221 VanDerWaalsContact N-CD2 3.26Å; N179-D225 WeakPolarHBondContact CB-OD1 3.37Å; N179-D225 PolarHBondContact ND2-OD1 2.88Å | ||
| 180 | Y | 97.5 | Very high | 98 | Very high | 40 Ų | 40 | 26.4 Ų | 26.4 | 16% | 0.157 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -40 | -168.4 | -168.8 | -109.3 | 0 | 0 | 0 | 114.4 | K223 I362 D380 P381 | Y180-K223 HydrophobicContact CD2-CG 4.26Å; Y180-K223 HydrophobicContact CE2-CG 4.29Å; Y180-I362 HydrophobicContact CD2-CD1 4.47Å; Y180-I362 HydrophobicContact CE2-CD1 3.8Å; Y180-I362 HydrophobicContact CE2-CG1 4.25Å; Y180-D380 HydrophobicContact CE1-CB 4.28Å; Y180-P381 HydrophobicContact CD1-CG 4.33Å; Y180-P381 VanDerWaalsContact CE1-CD 3.45Å; Y180-P381 HydrophobicContact CE1-CG 4.04Å; Y180-P381 HydrophobicContact CE2-CG 4.38Å; Y180-P381 WeakPolarHBondContact O-CD 3.34Å; Y180-P381 WeakPolarHBondContact O-CG 3.33Å |
| 181 | N | 97.2 | Very high | 98 | Very high | 30 Ų | 30 | 24.1 Ų | 24.1 | 16% | 0.16 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 1.9 | 177 | 66.3 | 11.4 | 0 | 0 | 0 | 114.3 | T139 N179 S183 A379 D380 | T139-N181 PolarHBondContact OG1-O 3.06Å; T139-N181 VanDerWaalsContact OG1-O 3.09Å; N179-N181 VanDerWaalsContact C-N 3.28Å; N179-N181 PolarHBondContact ND2-OD1 2.84Å; N179-N181 PolarHBondContact O-N 3.46Å; N179-N181 VanDerWaalsContact O-N 3.12Å; N179-N181 PolarHBondContact OD1-OD1 2.81Å; N181-S183 VanDerWaalsContact C-N 3.31Å; N181-S183 PolarHBondContact O-N 2.71Å; N181-S183 VanDerWaalsContact OD1-CB 3.24Å; N181-S183 WeakPolarHBondContact OD1-CB 3.49Å; N181-S183 PolarHBondContact OD1-N 2.91Å; N181-S183 VanDerWaalsContact OD1-N 3.09Å; N181-S183 PolarHBondContact OD1-OG 3Å; N181-A379 WeakPolarHBondContact CB-O 3.4Å; N181-D380 WeakPolarHBondContact CB-OD1 3.28Å |
| 182 | G | 97.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.128 | C | C | . | . | S | Bend | trans | 64.7 | 26 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | H137 N179 W373 | H137-G182 WeakPolarHBondContact NE2-CA 3.5Å; H137-G182 PolarHBondContact NE2-O 3.03Å; N179-G182 PolarHBondContact O-N 2.92Å; N179-G182 WeakPolarHBondContact OD1-CA 3.32Å; N179-G182 PolarHBondContact OD1-N 3.42Å; N179-G182 VanDerWaalsContact OD1-N 3.12Å; G182-W373 PolarHBondContact O-NE1 2.67Å; G182-W373 VanDerWaalsContact O-NE1 3.16Å |
| 183 | S | 97.9 | Very high | 97.9 | Very high | 19 Ų | 19 | 29.9 Ų | 29.9 | 13% | 0.133 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -80 | -22.4 | 171.3 | 59.9 | 0 | 0 | 0 | 0 | 113.2 | N179 N181 P199 D378 | N179-S183 PolarHBondContact ND2-OG 3.45Å; N179-S183 PolarHBondContact OD1-N 2.72Å; N179-S183 PolarHBondContact OD1-OG 2.9Å; N181-S183 VanDerWaalsContact C-N 3.31Å; N181-S183 PolarHBondContact O-N 2.71Å; N181-S183 VanDerWaalsContact OD1-CB 3.24Å; N181-S183 WeakPolarHBondContact OD1-CB 3.49Å; N181-S183 PolarHBondContact OD1-N 2.91Å; N181-S183 VanDerWaalsContact OD1-N 3.09Å; N181-S183 PolarHBondContact OD1-OG 3Å; S183-P199 VanDerWaalsContact O-CD 3.3Å; S183-P199 WeakPolarHBondContact O-CD 3.42Å; S183-D378 VanDerWaalsContact CB-OD1 3.3Å; S183-D378 WeakPolarHBondContact CB-OD1 3.34Å |
| 184 | R | 98.1 | Very high | 97.9 | Very high | 55 Ų | 55 | 29.6 Ų | 29.6 | 21% | 0.208 | 14% | 0.135 | C | C | . | . | trans | -129 | 153.5 | 179.1 | -62.3 | -174.4 | 176.5 | -149.7 | 5.6 | 111.1 | F178 N179 V196 I205 Y221 D246 | F178-R184 WeakPolarHBondContact CA-O 3.41Å; N179-R184 HydrophobicContact CB-CB 4.35Å; N179-R184 PolarHBondContact N-O 2.94Å; N179-R184 PolarHBondContact OD1-N 2.94Å; N179-R184 PolarHBondContact OD1-O 3.02Å; R184-V196 HydrophobicContact CB-CG1 4.33Å; R184-I205 HydrophobicContact CG-CD1 4.49Å; R184-Y221 HydrophobicContact CB-CE2 4.37Å; R184-Y221 WeakPolarHBondContact CB-OH 3.38Å; R184-D246 IonicContact CZ-OD1 3.66Å; R184-D246 IonicContact NH1-OD1 3.65Å; R184-D246 PolarHBondContact NH1-OD1 2.86Å; R184-D246 IonicContact NH2-OD1 3.63Å | ||
| 185 | L | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 124.6 | 177.6 | -179.5 | 75.2 | 0 | 0 | 0 | 109.4 | L145 A176 F178 T187 V196 V197 P199 | L145-L185 HydrophobicContact CD1-CD1 3.53Å; L145-L185 HydrophobicContact CD1-CD2 3.54Å; L145-L185 HydrophobicContact CD1-CG 4.19Å; A176-L185 HydrophobicContact CB-CD1 4.2Å; F178-L185 HydrophobicContact CD1-CD1 4.09Å; F178-L185 HydrophobicContact CD2-CD1 4.39Å; F178-L185 HydrophobicContact CE1-CD1 4.15Å; F178-L185 HydrophobicContact CE2-CD1 4.44Å; F178-L185 HydrophobicContact CG-CD1 4.21Å; F178-L185 HydrophobicContact CZ-CD1 4.33Å; L185-T187 HydrophobicContact CD2-CG2 3.69Å; L185-T187 HydrophobicContact CG-CG2 3.88Å; L185-V196 CarbonylContact O-C 3.58Å; L185-V196 WeakPolarHBondContact O-CA 3.48Å; L185-V197 HydrophobicContact CB-CB 4.49Å; L185-V197 PolarHBondContact N-O 2.77Å; L185-V197 PolarHBondContact O-N 3.45Å; L185-P199 HydrophobicContact CB-CB 4.23Å; L185-P199 HydrophobicContact CB-CG 4.47Å |
| 186 | V | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 136.4 | 167.2 | 65.7 | 0 | 0 | 0 | 0 | 108.5 | A176 C177 T194 R195 A219 Y221 I227 | A176-V186 CarbonylContact C-O 3.56Å; A176-V186 VanDerWaalsContact CA-O 3.27Å; A176-V186 WeakPolarHBondContact CA-O 3.25Å; C177-V186 HydrophobicContact CB-CG1 3.78Å; C177-V186 PolarHBondContact N-O 2.96Å; C177-V186 PolarHBondContact O-N 3.07Å; V186-T194 HydrophobicContact CG2-CG2 3.66Å; V186-R195 CarbonylContact C-O 3.59Å; V186-R195 WeakPolarHBondContact CA-O 3.42Å; V186-A219 HydrophobicContact CG1-CB 4.24Å; V186-A219 HydrophobicContact CG2-CB 3.79Å; V186-Y221 HydrophobicContact CB-CD2 4.15Å; V186-Y221 HydrophobicContact CB-CE2 3.64Å; V186-Y221 HydrophobicContact CG1-CD2 3.65Å; V186-Y221 HydrophobicContact CG1-CE2 3.67Å; V186-Y221 HydrophobicContact CG1-CG 4.38Å; V186-Y221 VanDerWaalsContact N-CE2 3.3Å; V186-I227 HydrophobicContact CB-CD1 4.21Å; V186-I227 HydrophobicContact CG2-CD1 3.92Å; V186-I227 HydrophobicContact CG2-CG1 4.49Å; V186-I227 HydrophobicContact CG2-CG2 4.01Å |
| 187 | T | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 144.9 | 177.7 | 56 | 0 | 0 | 0 | 0 | 110.3 | F169 V173 S175 A176 L185 T194 R195 | F169-T187 HydrophobicContact CE1-CG2 4.44Å; F169-T187 WeakPolarHBondContact CE1-OG1 3.45Å; F169-T187 HydrophobicContact CZ-CG2 3.99Å; V173-T187 HydrophobicContact CG1-CG2 4.32Å; S175-T187 VanDerWaalsContact O-CA 3.25Å; S175-T187 WeakPolarHBondContact O-CA 3.41Å; A176-T187 HydrophobicContact CB-CG2 4.07Å; L185-T187 HydrophobicContact CD2-CG2 3.69Å; L185-T187 HydrophobicContact CG-CG2 3.88Å; T187-T194 CarbonylContact O-C 3.58Å; T187-T194 VanDerWaalsContact O-CA 3.27Å; T187-T194 WeakPolarHBondContact O-CA 3.5Å; T187-R195 PolarHBondContact N-O 2.82Å; T187-R195 PolarHBondContact O-N 3.17Å; T187-R195 PolarHBondContact OG1-O 2.76Å |
| 188 | T | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 144.1 | 163.9 | 61.9 | 0 | 0 | 0 | 0 | 108.8 | V173 L174 S175 Q217 A219 | V173-T188 CarbonylContact C-O 3.58Å; V173-T188 WeakPolarHBondContact CA-O 3.4Å; L174-T188 PolarHBondContact N-O 2.98Å; S175-T188 WeakPolarHBondContact CB-OG1 3.44Å; S175-T188 PolarHBondContact N-OG1 2.88Å; S175-T188 PolarHBondContact O-N 2.98Å; S175-T188 WeakPolarHBondContact OG-CG2 3.47Å; S175-T188 PolarHBondContact OG-OG1 3.39Å; T188-Q217 HydrophobicContact CG2-CB 4.03Å; T188-Q217 PolarHBondContact OG1-O 2.72Å; T188-A219 HydrophobicContact CG2-CB 3.5Å |
| 189 | C | 97.9 | Very high | 97.9 | Very high | 3 Ų | 3 | 27.2 Ų | 27.2 | 2% | 0.02 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 149.8 | -175.7 | -179.7 | 0 | 0 | 0 | 0 | 109.9 | D171 I172 D191 R192 R193 | D171-C189 VanDerWaalsContact C-SG 3.58Å; D171-C189 PolarHBondContact O-SG 3.09Å; D171-C189 VanDerWaalsContact O-SG 3.39Å; I172-C189 WeakPolarHBondContact O-CA 3.29Å; C189-D191 WeakPolarHBondContact CB-OD1 3.39Å; C189-D191 PolarHBondContact O-N 3.15Å; C189-D191 VanDerWaalsContact O-N 3.12Å; C189-D191 PolarHBondContact SG-OD1 3.05Å; C189-R192 WeakPolarHBondContact O-CA 3.24Å; C189-R192 PolarHBondContact O-N 3.48Å; C189-R193 PolarHBondContact N-O 3.21Å |
| 190 | K | 97 | Very high | 97.9 | Very high | 122 Ų | 122 | 28.9 Ų | 28.9 | 53% | 0.53 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -16.1 | 179.7 | -170.8 | 179.9 | 177.8 | -169.7 | 0 | 113.3 | D171 I172 L174 R192 | D171-K190 HydrophobicContact CB-CB 4.12Å; I172-K190 HydrophobicContact CB-CB 4.37Å; I172-K190 HydrophobicContact CD1-CD 4.46Å; I172-K190 WeakPolarHBondContact O-CB 3.45Å; I172-K190 PolarHBondContact O-N 2.94Å; L174-K190 HydrophobicContact CD1-CB 4.29Å; L174-K190 HydrophobicContact CD2-CB 4.38Å; L174-K190 HydrophobicContact CG-CB 4.36Å; K190-R192 PolarHBondContact O-N 3.3Å; K190-R192 VanDerWaalsContact O-N 3.11Å |
| 191 | D | 97 | Very high | 97.9 | Very high | 41 Ų | 41 | 31.3 Ų | 31.3 | 22% | 0.219 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | 4.6 | 166.8 | 74.2 | -7.2 | 0 | 0 | 0 | 114.2 | D171 C189 R193 R195 | D171-D191 HydrophobicContact CB-CB 4.17Å; C189-D191 WeakPolarHBondContact CB-OD1 3.39Å; C189-D191 PolarHBondContact O-N 3.15Å; C189-D191 VanDerWaalsContact O-N 3.12Å; C189-D191 PolarHBondContact SG-OD1 3.05Å; D191-R193 VanDerWaalsContact C-N 3.27Å; D191-R193 PolarHBondContact O-N 3.16Å; D191-R193 WeakPolarHBondContact OD1-CB 3.38Å; D191-R193 PolarHBondContact OD1-N 3.25Å; D191-R195 IonicContact OD1-NH1 2.82Å; D191-R195 PolarHBondContact OD1-NH1 3.17Å; D191-R195 VanDerWaalsContact OD1-NH1 3.16Å; D191-R195 IonicContact OD1-NH2 3.79Å; D191-R195 IonicContact OD2-CZ 2.69Å; D191-R195 VanDerWaalsContact OD2-CZ 3.29Å; D191-R195 IonicContact OD2-NH1 3.75Å; D191-R195 PolarHBondContact OD2-NH1 2.8Å; D191-R195 IonicContact OD2-NH2 3.21Å; D191-R195 PolarHBondContact OD2-NH2 2.8Å |
| 192 | R | 96.4 | Very high | 97.9 | Very high | 107 Ų | 107 | 30.7 Ų | 30.7 | 40% | 0.404 | 15% | 0.145 | S | C | . | . | S | Bend | trans | 72.3 | 8.4 | -179.7 | -52 | 178.3 | -68.1 | 172 | -2 | 114.9 | C189 K190 | C189-R192 WeakPolarHBondContact O-CA 3.24Å; C189-R192 PolarHBondContact O-N 3.48Å; K190-R192 PolarHBondContact O-N 3.3Å; K190-R192 VanDerWaalsContact O-N 3.11Å |
| 193 | R | 97.7 | Very high | 97.9 | Very high | 97 Ų | 97 | 38 Ų | 38 | 37% | 0.366 | 18% | 0.176 | S | C | . | . | trans | -98.3 | 137.9 | 178.4 | -69.7 | 177.4 | 168.9 | -159.6 | -1.1 | 111.5 | C189 D191 R195 E207 G208 I209 | C189-R193 PolarHBondContact N-O 3.21Å; D191-R193 VanDerWaalsContact C-N 3.27Å; D191-R193 PolarHBondContact O-N 3.16Å; D191-R193 WeakPolarHBondContact OD1-CB 3.38Å; D191-R193 PolarHBondContact OD1-N 3.25Å; R193-R195 VanDerWaalsContact CD-NH2 3.27Å; R193-E207 IonicContact CZ-OE1 3.77Å; R193-E207 IonicContact CZ-OE2 3.77Å; R193-E207 IonicContact NH1-OE1 3.37Å; R193-E207 PolarHBondContact NH1-OE1 3.38Å; R193-E207 IonicContact NH1-OE2 3.56Å; R193-E207 PolarHBondContact NH1-OE2 3.3Å; R193-G208 CarbonylContact C-O 3.51Å; R193-G208 VanDerWaalsContact CA-O 3.31Å; R193-G208 WeakPolarHBondContact CA-O 3.23Å; R193-I209 HydrophobicContact CG-CG1 4.15Å | ||
| 194 | T | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 137.4 | 164.8 | -55 | 0 | 0 | 0 | 0 | 108.3 | V186 T187 E207 G208 C210 A219 F248 | V186-T194 HydrophobicContact CG2-CG2 3.66Å; T187-T194 CarbonylContact O-C 3.58Å; T187-T194 VanDerWaalsContact O-CA 3.27Å; T187-T194 WeakPolarHBondContact O-CA 3.5Å; T194-E207 VanDerWaalsContact O-CA 3.29Å; T194-E207 WeakPolarHBondContact O-CA 3.42Å; T194-G208 PolarHBondContact N-O 3.24Å; T194-G208 PolarHBondContact O-N 2.97Å; T194-C210 VanDerWaalsContact CB-SG 3.56Å; T194-C210 PolarHBondContact OG1-SG 2.92Å; T194-A219 HydrophobicContact CG2-CB 4.27Å; T194-F248 HydrophobicContact CG2-CE1 4.2Å; T194-F248 HydrophobicContact CG2-CE2 4Å; T194-F248 HydrophobicContact CG2-CZ 3.66Å |
| 195 | R | 98.4 | Very high | 97.9 | Very high | 10 Ų | 10 | 40.9 Ų | 40.9 | 4% | 0.038 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 134.3 | -178.9 | -56.5 | -172.3 | 169.4 | 81.2 | -7.2 | 111 | V186 T187 D191 R193 V197 V204 V206 E207 | V186-R195 CarbonylContact C-O 3.59Å; V186-R195 WeakPolarHBondContact CA-O 3.42Å; T187-R195 PolarHBondContact N-O 2.82Å; T187-R195 PolarHBondContact O-N 3.17Å; T187-R195 PolarHBondContact OG1-O 2.76Å; D191-R195 IonicContact OD1-NH1 2.82Å; D191-R195 PolarHBondContact OD1-NH1 3.17Å; D191-R195 VanDerWaalsContact OD1-NH1 3.16Å; D191-R195 IonicContact OD1-NH2 3.79Å; D191-R195 IonicContact OD2-CZ 2.69Å; D191-R195 VanDerWaalsContact OD2-CZ 3.29Å; D191-R195 IonicContact OD2-NH1 3.75Å; D191-R195 PolarHBondContact OD2-NH1 2.8Å; D191-R195 IonicContact OD2-NH2 3.21Å; D191-R195 PolarHBondContact OD2-NH2 2.8Å; R193-R195 VanDerWaalsContact CD-NH2 3.27Å; R195-V197 HydrophobicContact CB-CG2 4.03Å; R195-V204 HydrophobicContact CB-CG1 4.29Å; R195-V204 HydrophobicContact CG-CG1 4.47Å; R195-V206 WeakPolarHBondContact CA-O 3.28Å; R195-E207 HydrophobicContact CB-CB 4.49Å; R195-E207 HydrophobicContact CG-CB 3.79Å; R195-E207 IonicContact CZ-OE2 2.97Å; R195-E207 IonicContact NE-OE2 2.76Å; R195-E207 PolarHBondContact NE-OE2 3.37Å; R195-E207 IonicContact NH2-OE2 3.37Å; R195-E207 PolarHBondContact NH2-OE2 2.76Å |
| 196 | V | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 127.3 | 161.3 | 176.9 | 0 | 0 | 0 | 0 | 107.9 | R184 L185 I205 V206 Y221 I227 F248 | R184-V196 HydrophobicContact CB-CG1 4.33Å; L185-V196 CarbonylContact O-C 3.58Å; L185-V196 WeakPolarHBondContact O-CA 3.48Å; V196-I205 HydrophobicContact CG1-CB 4.23Å; V196-I205 HydrophobicContact CG1-CD1 4.17Å; V196-I205 PolarHBondContact O-N 3.45Å; V196-V206 HydrophobicContact CB-CG1 3.58Å; V196-V206 HydrophobicContact CG2-CG1 3.64Å; V196-V206 PolarHBondContact N-O 2.76Å; V196-V206 PolarHBondContact O-N 3.22Å; V196-Y221 VanDerWaalsContact CG1-OH 3.24Å; V196-Y221 WeakPolarHBondContact CG1-OH 3.47Å; V196-I227 HydrophobicContact CG2-CD1 3.49Å; V196-I227 VanDerWaalsContact CG2-CD1 3.49Å; V196-F248 HydrophobicContact CG2-CE2 4.01Å; V196-F248 HydrophobicContact CG2-CZ 3.76Å |
| 197 | V | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 143.2 | -173.2 | -175.4 | 0 | 0 | 0 | 0 | 108.7 | I167 F169 L185 R195 P199 K203 V204 | I167-V197 HydrophobicContact CD1-CG1 4.2Å; F169-V197 HydrophobicContact CZ-CG2 4.17Å; L185-V197 HydrophobicContact CB-CB 4.49Å; L185-V197 PolarHBondContact N-O 2.77Å; L185-V197 PolarHBondContact O-N 3.45Å; R195-V197 HydrophobicContact CB-CG2 4.03Å; V197-P199 VanDerWaalsContact O-CD 3.25Å; V197-P199 WeakPolarHBondContact O-CD 3.32Å; V197-K203 WeakPolarHBondContact CA-O 3.31Å; V197-V204 HydrophobicContact CG2-CG2 4.3Å |
| 198 | N | 98.2 | Very high | 97.8 | Very high | 45 Ų | 45 | 46.8 Ų | 46.8 | 24% | 0.241 | 23% | 0.228 | C | C | . | . | trans | -78.9 | 108.6 | 163.5 | -179.8 | -50.2 | 0 | 0 | 0 | 108.3 | R200 T201 G202 K203 I205 | N198-R200 VanDerWaalsContact C-N 3.25Å; N198-R200 PolarHBondContact O-N 2.99Å; N198-R200 WeakPolarHBondContact OD1-CB 3.5Å; N198-R200 PolarHBondContact OD1-N 3.29Å; N198-T201 WeakPolarHBondContact CB-OG1 3.43Å; N198-T201 PolarHBondContact O-N 3.36Å; N198-T201 PolarHBondContact OD1-N 2.86Å; N198-T201 PolarHBondContact OD1-OG1 2.93Å; N198-G202 WeakPolarHBondContact O-CA 3.34Å; N198-G202 PolarHBondContact O-N 2.97Å; N198-K203 PolarHBondContact N-O 3.38Å; N198-I205 HydrophobicContact CB-CD1 4.13Å; N198-I205 HydrophobicContact CB-CG1 4.42Å | ||
| 199 | P | 98 | Very high | 97.7 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -22.1 | -172.5 | 27.7 | -36.3 | 0 | 0 | 0 | 114 | I155 F178 S183 L185 V197 W373 | I155-P199 HydrophobicContact CD1-CB 4.43Å; F178-P199 HydrophobicContact CD1-CG 4.45Å; F178-P199 HydrophobicContact CE1-CB 3.86Å; F178-P199 HydrophobicContact CE1-CG 4.01Å; S183-P199 VanDerWaalsContact O-CD 3.3Å; S183-P199 WeakPolarHBondContact O-CD 3.42Å; L185-P199 HydrophobicContact CB-CB 4.23Å; L185-P199 HydrophobicContact CB-CG 4.47Å; V197-P199 VanDerWaalsContact O-CD 3.25Å; V197-P199 WeakPolarHBondContact O-CD 3.32Å; P199-W373 HydrophobicContact CB-CH2 4.16Å; P199-W373 HydrophobicContact CB-CZ2 4.19Å; P199-W373 HydrophobicContact CG-CH2 4.21Å; P199-W373 HydrophobicContact CG-CZ2 3.75Å |
| 200 | R | 97.9 | Very high | 97.7 | Very high | 37 Ų | 37 | 49.8 Ų | 49.8 | 14% | 0.14 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -25.6 | 178.8 | -61.3 | 173.5 | -177.7 | 131.6 | 3.7 | 113.3 | V165 N198 W373 M374 K377 D378 | V165-R200 VanDerWaalsContact CG2-O 3.29Å; V165-R200 WeakPolarHBondContact CG2-O 3.39Å; N198-R200 VanDerWaalsContact C-N 3.25Å; N198-R200 PolarHBondContact O-N 2.99Å; N198-R200 WeakPolarHBondContact OD1-CB 3.5Å; N198-R200 PolarHBondContact OD1-N 3.29Å; R200-W373 WeakPolarHBondContact CD-O 3.33Å; R200-W373 HydrophobicContact CG-CD2 4.46Å; R200-W373 HydrophobicContact CG-CE3 4.5Å; R200-W373 HydrophobicContact CG-CH2 3.86Å; R200-W373 HydrophobicContact CG-CZ2 3.8Å; R200-W373 HydrophobicContact CG-CZ3 4.22Å; R200-W373 VanDerWaalsContact CZ-O 3.31Å; R200-W373 PolarHBondContact NE-O 2.85Å; R200-W373 PolarHBondContact NH2-O 3.16Å; R200-M374 HydrophobicContact CG-SD 4.48Å; R200-K377 PolarHBondContact NH2-O 3.03Å; R200-D378 IonicContact CZ-OD1 3.51Å; R200-D378 IonicContact NH1-OD1 3.82Å; R200-D378 PolarHBondContact NH1-OD1 2.92Å; R200-D378 IonicContact NH1-OD2 3.78Å; R200-D378 IonicContact NH2-OD1 2.79Å; R200-D378 PolarHBondContact NH2-OD1 3.3Å |
| 201 | T | 97.5 | Very high | 97.8 | Very high | 92 Ų | 92 | 44 Ų | 44 | 56% | 0.564 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -117.6 | -16.1 | -174.1 | 60.3 | 0 | 0 | 0 | 0 | 113.1 | N198 K203 | N198-T201 WeakPolarHBondContact CB-OG1 3.43Å; N198-T201 PolarHBondContact O-N 3.36Å; N198-T201 PolarHBondContact OD1-N 2.86Å; N198-T201 PolarHBondContact OD1-OG1 2.93Å; T201-K203 PolarHBondContact O-N 3.41Å; T201-K203 PolarHBondContact OG1-N 2.91Å |
| 202 | G | 96.8 | Very high | 97.7 | Very high | 17 Ų | 17 | 47.2 Ų | 47.2 | 18% | 0.175 | 23% | 0.233 | C | C | . | . | trans | 72.1 | 3.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | N198 V204 | N198-G202 WeakPolarHBondContact O-CA 3.34Å; N198-G202 PolarHBondContact O-N 2.97Å; G202-V204 PolarHBondContact O-N 2.91Å | ||
| 203 | K | 97.8 | Very high | 97.7 | Very high | 152 Ų | 152 | 42.3 Ų | 42.3 | 66% | 0.661 | 22% | 0.215 | S | C | * | . | trans | -72.8 | 125.8 | -178.7 | -174.6 | 180 | 177.1 | -176.5 | 0 | 110.8 | V197 N198 T201 I205 | V197-K203 WeakPolarHBondContact CA-O 3.31Å; N198-K203 PolarHBondContact N-O 3.38Å; T201-K203 PolarHBondContact O-N 3.41Å; T201-K203 PolarHBondContact OG1-N 2.91Å; K203-I205 PolarHBondContact O-N 2.87Å | ||
| 204 | V | 97.9 | Very high | 97.5 | Very high | 59 Ų | 59 | 43.2 Ų | 43.2 | 36% | 0.358 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 124.7 | 169.2 | -178.2 | 0 | 0 | 0 | 0 | 109.1 | R195 V197 G202 E207 | R195-V204 HydrophobicContact CB-CG1 4.29Å; R195-V204 HydrophobicContact CG-CG1 4.47Å; V197-V204 HydrophobicContact CG2-CG2 4.3Å; G202-V204 PolarHBondContact O-N 2.91Å; V204-E207 HydrophobicContact CG1-CB 4.09Å; V204-E207 HydrophobicContact CG1-CG 4.46Å |
| 205 | I | 97.7 | Very high | 97.4 | Very high | 77 Ų | 77 | 45.5 Ų | 45.5 | 40% | 0.395 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | -50.8 | 178.9 | -60.3 | 174.1 | 0 | 0 | 0 | 109.8 | R184 V196 N198 K203 | R184-I205 HydrophobicContact CG-CD1 4.49Å; V196-I205 HydrophobicContact CG1-CB 4.23Å; V196-I205 HydrophobicContact CG1-CD1 4.17Å; V196-I205 PolarHBondContact O-N 3.45Å; N198-I205 HydrophobicContact CB-CD1 4.13Å; N198-I205 HydrophobicContact CB-CG1 4.42Å; K203-I205 PolarHBondContact O-N 2.87Å |
| 206 | V | 97.7 | Very high | 97.3 | Very high | 25 Ų | 25 | 47 Ų | 47 | 15% | 0.152 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 147.6 | 174.6 | 61.3 | 0 | 0 | 0 | 0 | 109.6 | R195 V196 K245 F248 | R195-V206 WeakPolarHBondContact CA-O 3.28Å; V196-V206 HydrophobicContact CB-CG1 3.58Å; V196-V206 HydrophobicContact CG2-CG1 3.64Å; V196-V206 PolarHBondContact N-O 2.76Å; V196-V206 PolarHBondContact O-N 3.22Å; V206-K245 WeakPolarHBondContact CG1-O 3.45Å; V206-F248 HydrophobicContact CG1-CD2 4.24Å; V206-F248 HydrophobicContact CG1-CE2 3.91Å; V206-F248 HydrophobicContact CG2-CD2 4.05Å |
| 207 | E | 97.8 | Very high | 97.2 | Very high | 86 Ų | 86 | 47.3 Ų | 47.3 | 40% | 0.402 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 151.1 | 173.4 | 62.5 | 169.5 | -176.7 | 0 | 0 | 111.3 | R193 T194 R195 V204 | R193-E207 IonicContact CZ-OE1 3.77Å; R193-E207 IonicContact CZ-OE2 3.77Å; R193-E207 IonicContact NH1-OE1 3.37Å; R193-E207 PolarHBondContact NH1-OE1 3.38Å; R193-E207 IonicContact NH1-OE2 3.56Å; R193-E207 PolarHBondContact NH1-OE2 3.3Å; T194-E207 VanDerWaalsContact O-CA 3.29Å; T194-E207 WeakPolarHBondContact O-CA 3.42Å; R195-E207 HydrophobicContact CB-CB 4.49Å; R195-E207 HydrophobicContact CG-CB 3.79Å; R195-E207 IonicContact CZ-OE2 2.97Å; R195-E207 IonicContact NE-OE2 2.76Å; R195-E207 PolarHBondContact NE-OE2 3.37Å; R195-E207 IonicContact NH2-OE2 3.37Å; R195-E207 PolarHBondContact NH2-OE2 2.76Å; V204-E207 HydrophobicContact CG1-CB 4.09Å; V204-E207 HydrophobicContact CG1-CG 4.46Å |
| 208 | G | 97.7 | Very high | 97.2 | Very high | 13 Ų | 13 | 48.2 Ų | 48.2 | 13% | 0.134 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.6 | 177.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | R193 T194 | R193-G208 CarbonylContact C-O 3.51Å; R193-G208 VanDerWaalsContact CA-O 3.31Å; R193-G208 WeakPolarHBondContact CA-O 3.23Å; T194-G208 PolarHBondContact N-O 3.24Å; T194-G208 PolarHBondContact O-N 2.97Å |
| 209 | I | 97.5 | Very high | 97.2 | Very high | 61 Ų | 61 | 46.1 Ų | 46.1 | 31% | 0.313 | 25% | 0.247 | S | C | . | . | trans | -105.6 | 102.2 | 179 | -60.8 | 175.4 | 0 | 0 | 0 | 108 | R193 H211 | R193-I209 HydrophobicContact CG-CG1 4.15Å; I209-H211 VanDerWaalsContact CG2-O 3.26Å; I209-H211 WeakPolarHBondContact CG2-O 3.45Å | ||
| 210 | C | 98.1 | Very high | 97.2 | Very high | 5 Ų | 5 | 46.8 Ų | 46.8 | 3% | 0.034 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -74.6 | -37.7 | -179.7 | -66.9 | 0 | 0 | 0 | 0 | 112.6 | T194 T229 W243 | T194-C210 VanDerWaalsContact CB-SG 3.56Å; T194-C210 PolarHBondContact OG1-SG 2.92Å; C210-T229 HydrophobicContact CB-CG2 4.17Å; C210-W243 VanDerWaalsContact CA-CZ2 3.41Å; C210-W243 HydrophobicContact CB-CH2 4.14Å; C210-W243 HydrophobicContact CB-CZ2 3.5Å; C210-W243 VanDerWaalsContact CB-CZ2 3.5Å; C210-W243 WeakPolarHBondContact O-CH2 3.32Å; C210-W243 WeakPolarHBondContact O-CZ2 3.17Å |
| 211 | H | 97.7 | Very high | 97.3 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | trans | -129.5 | 137.6 | 177.4 | -58.9 | -82.2 | 0 | 0 | 0 | 110.6 | I209 Q217 T229 T230 G231 Q239 | I209-H211 VanDerWaalsContact CG2-O 3.26Å; I209-H211 WeakPolarHBondContact CG2-O 3.45Å; H211-Q217 HydrophobicContact CB-CG 4.41Å; H211-Q217 PolarHBondContact O-NE2 3.34Å; H211-T229 WeakPolarHBondContact NE2-CB 3.49Å; H211-T229 PolarHBondContact NE2-OG1 2.65Å; H211-T230 VanDerWaalsContact NE2-C 3.35Å; H211-G231 PolarHBondContact NE2-N 3.37Å; H211-Q239 PolarHBondContact ND1-OE1 2.88Å | ||
| 212 | Q | 96.3 | Very high | 97.3 | Very high | 108 Ų | 108 | 41.5 Ų | 41.5 | 51% | 0.505 | 22% | 0.221 | S | C | . | . | trans | -83.3 | -16.6 | -173.7 | -61 | -60.4 | -37.8 | 0 | 0 | 113.4 | P234 | Q212-P234 HydrophobicContact CB-CG 3.65Š| ||
| 213 | G | 95.2 | Very high | 97 | Very high | 4 Ų | 4 | 44.7 Ų | 44.7 | 4% | 0.041 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -66.9 | 160.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | F232 S233 | G213-F232 WeakPolarHBondContact CA-O 3.4Å; G213-F232 PolarHBondContact N-O 3.42Å; G213-S233 WeakPolarHBondContact CA-O 3.44Å |
| 214 | T | 94.2 | Very high | 96.8 | Very high | 116 Ų | 116 | 41.1 Ų | 41.1 | 71% | 0.712 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -92.8 | -8.7 | -175.7 | 54.8 | 0 | 0 | 0 | 0 | 114.3 | ||
| 215 | K | 95.8 | Very high | 96.7 | Very high | 47 Ų | 47 | 39.8 Ų | 39.8 | 20% | 0.204 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -77.9 | 160.7 | 179.7 | -69.8 | 179 | -168.6 | 172.7 | 0 | 111.1 | F232 N261 | K215-F232 HydrophobicContact CB-CB 4.29Å; K215-F232 HydrophobicContact CB-CD1 4.33Å; K215-F232 HydrophobicContact CB-CD2 3.3Å; K215-F232 HydrophobicContact CB-CE1 4.48Å; K215-F232 HydrophobicContact CB-CE2 3.54Å; K215-F232 HydrophobicContact CB-CG 3.73Å; K215-F232 HydrophobicContact CB-CZ 4.13Å; K215-F232 HydrophobicContact CD-CD1 3.59Å; K215-F232 HydrophobicContact CD-CD2 4.09Å; K215-F232 HydrophobicContact CD-CE1 3.55Å; K215-F232 HydrophobicContact CD-CE2 4.09Å; K215-F232 HydrophobicContact CD-CG 3.84Å; K215-F232 HydrophobicContact CD-CZ 3.82Å; K215-F232 HydrophobicContact CG-CD2 4.32Å; K215-F232 HydrophobicContact CG-CE2 4.48Å; K215-F232 HydrophobicContact CG-CG 4.35Å; K215-N261 PolarHBondContact NZ-OD1 3.47Å |
| 216 | P | 96.3 | Very high | 96.7 | Very high | 43 Ų | 43 | 37.4 Ų | 37.4 | 28% | 0.279 | 20% | 0.195 | S | C | . | . | trans | -55.8 | 150.2 | -179.1 | -25.6 | 34.9 | 0 | 0 | 0 | 113.4 | L174 F232 V263 | L174-P216 HydrophobicContact CD1-CB 4.03Å; P216-F232 WeakPolarHBondContact O-CE2 3.44Å; P216-V263 HydrophobicContact CB-CG2 3.82Å; P216-V263 HydrophobicContact CG-CG2 4.05Å | ||
| 217 | Q | 96.9 | Very high | 96.8 | Very high | 5 Ų | 5 | 36.2 Ų | 36.2 | 2% | 0.023 | 19% | 0.188 | C | C | . | . | trans | -122 | 154.4 | -179 | -56.8 | 178.2 | 12.4 | 0 | 0 | 109 | T188 H211 T230 | T188-Q217 HydrophobicContact CG2-CB 4.03Å; T188-Q217 PolarHBondContact OG1-O 2.72Å; H211-Q217 HydrophobicContact CB-CG 4.41Å; H211-Q217 PolarHBondContact O-NE2 3.34Å; Q217-T230 CarbonylContact C-O 3.53Å; Q217-T230 VanDerWaalsContact CA-O 3.24Å; Q217-T230 WeakPolarHBondContact CA-O 3.02Å; Q217-T230 WeakPolarHBondContact CB-O 3.41Å | ||
| 218 | E | 98.4 | Very high | 96.8 | Very high | 19 Ų | 19 | 32.1 Ų | 32.1 | 9% | 0.089 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 145 | 170.2 | -69.4 | -69.8 | 157 | 0 | 0 | 108.7 | S175 T229 T230 V263 M264 F265 P266 | S175-E218 WeakPolarHBondContact CB-OE2 3.26Å; E218-T229 CarbonylContact O-C 3.51Å; E218-T229 WeakPolarHBondContact O-CA 3.29Å; E218-T229 WeakPolarHBondContact O-CB 3.22Å; E218-T230 PolarHBondContact N-O 2.97Å; E218-T230 PolarHBondContact O-N 3.35Å; E218-V263 HydrophobicContact CG-CG1 3.94Å; E218-M264 WeakPolarHBondContact CG-O 3.29Å; E218-F265 HydrophobicContact CG-CD1 4.16Å; E218-F265 HydrophobicContact CG-CE1 4.47Å; E218-F265 WeakPolarHBondContact OE1-CE1 3.36Å; E218-P266 HydrophobicContact CB-CG 4.2Å |
| 219 | A | 98.5 | Very high | 96.8 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.008 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 133.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | S175 V186 T188 T194 I227 F228 T229 | S175-A219 PolarHBondContact OG-N 3.43Å; S175-A219 VanDerWaalsContact OG-N 3.07Å; V186-A219 HydrophobicContact CG1-CB 4.24Å; V186-A219 HydrophobicContact CG2-CB 3.79Å; T188-A219 HydrophobicContact CG2-CB 3.5Å; T194-A219 HydrophobicContact CG2-CB 4.27Å; A219-I227 HydrophobicContact CB-CG2 4.32Å; A219-F228 WeakPolarHBondContact CA-O 3.24Å; A219-T229 HydrophobicContact CB-CG2 3.87Å |
| 220 | I | 98.6 | Very high | 96.9 | Very high | 15 Ų | 15 | 28.7 Ų | 28.7 | 8% | 0.077 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 151 | 174.6 | 61.4 | 166.4 | 0 | 0 | 0 | 110.6 | C177 I227 F228 P266 I275 | C177-I220 HydrophobicContact CB-CB 4.37Å; C177-I220 HydrophobicContact CB-CG2 4.27Å; I220-I227 WeakPolarHBondContact O-CA 3.42Å; I220-F228 HydrophobicContact CG1-CB 4.08Å; I220-F228 PolarHBondContact N-O 3.23Å; I220-F228 PolarHBondContact O-N 3.13Å; I220-P266 HydrophobicContact CD1-CB 3.72Å; I220-P266 HydrophobicContact CD1-CG 3.94Å; I220-P266 HydrophobicContact CG1-CB 4.16Å; I220-P266 HydrophobicContact CG1-CG 3.93Å; I220-P266 HydrophobicContact CG2-CG 3.91Å; I220-I275 HydrophobicContact CD1-CD1 3.99Å |
| 221 | Y | 98.5 | Very high | 96.9 | Very high | 12 Ų | 12 | 28.5 Ų | 28.5 | 5% | 0.047 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 147.8 | 163.6 | -78.9 | -75.1 | 0 | 0 | 0 | 110.7 | C177 N179 R184 V186 V196 D225 I227 K245 | C177-Y221 WeakPolarHBondContact O-CD2 3.17Å; C177-Y221 WeakPolarHBondContact O-CE2 3.41Å; C177-Y221 PolarHBondContact SG-N 3.05Å; C177-Y221 VanDerWaalsContact SG-N 3.45Å; N179-Y221 VanDerWaalsContact CA-CD2 3.4Å; N179-Y221 HydrophobicContact CB-CD1 3.86Å; N179-Y221 HydrophobicContact CB-CD2 3.55Å; N179-Y221 HydrophobicContact CB-CE1 4.08Å; N179-Y221 HydrophobicContact CB-CE2 3.73Å; N179-Y221 HydrophobicContact CB-CG 3.59Å; N179-Y221 VanDerWaalsContact N-CD2 3.26Å; R184-Y221 HydrophobicContact CB-CE2 4.37Å; R184-Y221 WeakPolarHBondContact CB-OH 3.38Å; V186-Y221 HydrophobicContact CB-CD2 4.15Å; V186-Y221 HydrophobicContact CB-CE2 3.64Å; V186-Y221 HydrophobicContact CG1-CD2 3.65Å; V186-Y221 HydrophobicContact CG1-CE2 3.67Å; V186-Y221 HydrophobicContact CG1-CG 4.38Å; V186-Y221 VanDerWaalsContact N-CE2 3.3Å; V196-Y221 VanDerWaalsContact CG1-OH 3.24Å; V196-Y221 WeakPolarHBondContact CG1-OH 3.47Å; Y221-D225 WeakPolarHBondContact CD1-O 3.49Å; Y221-D225 WeakPolarHBondContact CE1-O 3.35Å; Y221-I227 HydrophobicContact CD1-CG1 3.76Å; Y221-I227 HydrophobicContact CE1-CD1 3.84Å; Y221-I227 HydrophobicContact CE1-CG1 3.57Å; Y221-K245 HydrophobicContact CE1-CB 4.42Å |
| 222 | I | 97.4 | Very high | 96.9 | Very high | 5 Ų | 5 | 28.6 Ų | 28.6 | 3% | 0.026 | 15% | 0.147 | C | C | . | . | trans | -105.7 | 170.8 | 161.7 | 64.5 | 163.7 | 0 | 0 | 0 | 109.9 | D224 D225 R226 F228 L242 Y268 I290 | I222-D224 VanDerWaalsContact C-N 3.27Å; I222-D224 VanDerWaalsContact CD1-OD1 3.3Å; I222-D224 WeakPolarHBondContact CD1-OD1 3.41Å; I222-D224 VanDerWaalsContact CG1-OD1 3.23Å; I222-D224 WeakPolarHBondContact CG1-OD1 3.46Å; I222-D224 PolarHBondContact O-N 2.93Å; I222-D224 VanDerWaalsContact O-N 3.16Å; I222-D225 PolarHBondContact O-N 3.42Å; I222-R226 HydrophobicContact CD1-CB 3.8Å; I222-R226 HydrophobicContact CG1-CB 3.67Å; I222-R226 WeakPolarHBondContact CG1-O 3.45Å; I222-R226 PolarHBondContact N-O 2.74Å; I222-F228 HydrophobicContact CG2-CB 4.15Å; I222-L242 HydrophobicContact CD1-CD1 3.92Å; I222-Y268 VanDerWaalsContact CA-CE1 3.47Å; I222-Y268 HydrophobicContact CB-CD1 4.1Å; I222-Y268 HydrophobicContact CB-CD2 4.33Å; I222-Y268 HydrophobicContact CB-CE1 3.69Å; I222-Y268 HydrophobicContact CB-CE2 3.93Å; I222-Y268 HydrophobicContact CB-CG 4.4Å; I222-Y268 HydrophobicContact CG2-CD1 3.99Å; I222-Y268 HydrophobicContact CG2-CD2 3.78Å; I222-Y268 HydrophobicContact CG2-CE1 4.07Å; I222-Y268 HydrophobicContact CG2-CE2 3.85Å; I222-Y268 HydrophobicContact CG2-CG 3.85Å; I222-I290 HydrophobicContact CD1-CD1 4.21Å; I222-I290 HydrophobicContact CD1-CG2 3.75Å; I222-I290 HydrophobicContact CG2-CD1 3.92Å | ||
| 223 | K | 91.9 | Very high | 97 | Very high | 85 Ų | 85 | 23.5 Ų | 23.5 | 37% | 0.37 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -33.9 | -165.2 | -175.5 | 174.6 | -174.6 | 168.9 | 0 | 114 | Y180 D225 Y268 S270 | Y180-K223 HydrophobicContact CD2-CG 4.26Å; Y180-K223 HydrophobicContact CE2-CG 4.29Å; K223-D225 PolarHBondContact O-N 3.15Å; K223-Y268 HydrophobicContact CB-CE1 4.18Å; K223-Y268 VanDerWaalsContact CB-OH 3.31Å; K223-Y268 WeakPolarHBondContact CB-OH 3.42Å; K223-Y268 VanDerWaalsContact N-CE1 3.3Å; K223-Y268 PolarHBondContact N-OH 2.84Å; K223-Y268 VanDerWaalsContact N-OH 3.16Å; K223-S270 VanDerWaalsContact CD-O 3.27Å; K223-S270 WeakPolarHBondContact CD-O 3.42Å |
| 224 | D | 93.2 | Very high | 97.1 | Very high | 77 Ų | 77 | 27.9 Ų | 27.9 | 41% | 0.412 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 22.9 | 179.2 | 71.5 | -9.1 | 0 | 0 | 0 | 113.3 | I222 R226 | I222-D224 VanDerWaalsContact C-N 3.27Å; I222-D224 VanDerWaalsContact CD1-OD1 3.3Å; I222-D224 WeakPolarHBondContact CD1-OD1 3.41Å; I222-D224 VanDerWaalsContact CG1-OD1 3.23Å; I222-D224 WeakPolarHBondContact CG1-OD1 3.46Å; I222-D224 PolarHBondContact O-N 2.93Å; I222-D224 VanDerWaalsContact O-N 3.16Å; D224-R226 PolarHBondContact O-N 2.84Å; D224-R226 VanDerWaalsContact O-N 3.12Å; D224-R226 WeakPolarHBondContact OD1-CB 3.33Å; D224-R226 PolarHBondContact OD1-N 2.67Å; D224-R226 IonicContact OD1-NE 3.94Å; D224-R226 PolarHBondContact OD1-NE 2.76Å; D224-R226 IonicContact OD1-NH2 3.37Å; D224-R226 IonicContact OD2-CZ 2.81Å; D224-R226 IonicContact OD2-NE 3.87Å; D224-R226 PolarHBondContact OD2-NE 3.13Å; D224-R226 IonicContact OD2-NH2 3.42Å; D224-R226 PolarHBondContact OD2-NH2 2.91Å |
| 225 | D | 95.8 | Very high | 97.1 | Very high | 30 Ų | 30 | 29.7 Ų | 29.7 | 16% | 0.16 | 15% | 0.154 | C | C | . | . | S | Bend | trans | 70 | -2.1 | 176.8 | -106.2 | 5.2 | 0 | 0 | 0 | 114.5 | N179 Y221 I222 K223 K245 | N179-D225 WeakPolarHBondContact CB-OD1 3.37Å; N179-D225 PolarHBondContact ND2-OD1 2.88Å; Y221-D225 WeakPolarHBondContact CD1-O 3.49Å; Y221-D225 WeakPolarHBondContact CE1-O 3.35Å; I222-D225 PolarHBondContact O-N 3.42Å; K223-D225 PolarHBondContact O-N 3.15Å; D225-K245 HydrophobicContact CB-CD 3.84Å; D225-K245 VanDerWaalsContact O-CB 3.28Å; D225-K245 WeakPolarHBondContact O-CB 3.16Å; D225-K245 IonicContact OD2-NZ 2.71Å; D225-K245 PolarHBondContact OD2-NZ 3.49Å |
| 226 | R | 97.6 | Very high | 97.1 | Very high | 27 Ų | 27 | 29.6 Ų | 29.6 | 10% | 0.102 | 16% | 0.159 | C | C | . | . | trans | -63.5 | 161 | 168.3 | -71.4 | -177.1 | -73 | -172.2 | -11.7 | 110.8 | I222 D224 L242 W243 L252 T291 D292 | I222-R226 HydrophobicContact CD1-CB 3.8Å; I222-R226 HydrophobicContact CG1-CB 3.67Å; I222-R226 WeakPolarHBondContact CG1-O 3.45Å; I222-R226 PolarHBondContact N-O 2.74Å; D224-R226 PolarHBondContact O-N 2.84Å; D224-R226 VanDerWaalsContact O-N 3.12Å; D224-R226 WeakPolarHBondContact OD1-CB 3.33Å; D224-R226 PolarHBondContact OD1-N 2.67Å; D224-R226 IonicContact OD1-NE 3.94Å; D224-R226 PolarHBondContact OD1-NE 2.76Å; D224-R226 IonicContact OD1-NH2 3.37Å; D224-R226 IonicContact OD2-CZ 2.81Å; D224-R226 IonicContact OD2-NE 3.87Å; D224-R226 PolarHBondContact OD2-NE 3.13Å; D224-R226 IonicContact OD2-NH2 3.42Å; D224-R226 PolarHBondContact OD2-NH2 2.91Å; R226-L242 HydrophobicContact CB-CD1 4.14Å; R226-W243 WeakPolarHBondContact CB-O 3.43Å; R226-L252 HydrophobicContact CG-CD1 4.25Å; R226-T291 PolarHBondContact NH1-O 2.79Å; R226-D292 IonicContact CZ-OD1 2.73Å; R226-D292 IonicContact NH1-OD1 3.41Å; R226-D292 IonicContact NH2-OD1 3.04Å; R226-D292 PolarHBondContact NH2-OD1 2.65Å | ||
| 227 | I | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 127 | -177.4 | -64.3 | 170.3 | 0 | 0 | 0 | 109.1 | V186 V196 A219 I220 Y221 T229 L242 W243 K245 F248 | V186-I227 HydrophobicContact CB-CD1 4.21Å; V186-I227 HydrophobicContact CG2-CD1 3.92Å; V186-I227 HydrophobicContact CG2-CG1 4.49Å; V186-I227 HydrophobicContact CG2-CG2 4.01Å; V196-I227 HydrophobicContact CG2-CD1 3.49Å; V196-I227 VanDerWaalsContact CG2-CD1 3.49Å; A219-I227 HydrophobicContact CB-CG2 4.32Å; I220-I227 WeakPolarHBondContact O-CA 3.42Å; Y221-I227 HydrophobicContact CD1-CG1 3.76Å; Y221-I227 HydrophobicContact CE1-CD1 3.84Å; Y221-I227 HydrophobicContact CE1-CG1 3.57Å; I227-T229 HydrophobicContact CG2-CG2 3.89Å; I227-L242 CarbonylContact O-C 3.56Å; I227-L242 WeakPolarHBondContact O-CA 3.34Å; I227-W243 HydrophobicContact CB-CB 4.34Å; I227-W243 PolarHBondContact N-O 3.06Å; I227-W243 PolarHBondContact O-N 3.13Å; I227-K245 HydrophobicContact CD1-CB 4.31Å; I227-F248 HydrophobicContact CB-CE1 4.46Å; I227-F248 HydrophobicContact CD1-CE1 3.73Å; I227-F248 HydrophobicContact CD1-CZ 3.56Å; I227-F248 HydrophobicContact CG2-CE1 4.41Å |
| 228 | F | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 128.2 | 171.8 | -171.2 | -80.8 | 0 | 0 | 0 | 109.2 | A219 I220 I222 T230 Y240 A241 L242 P266 I275 L277 I290 V297 | A219-F228 WeakPolarHBondContact CA-O 3.24Å; I220-F228 HydrophobicContact CG1-CB 4.08Å; I220-F228 PolarHBondContact N-O 3.23Å; I220-F228 PolarHBondContact O-N 3.13Å; I222-F228 HydrophobicContact CG2-CB 4.15Å; F228-T230 HydrophobicContact CD1-CG2 4.48Å; F228-T230 HydrophobicContact CE1-CG2 3.89Å; F228-Y240 HydrophobicContact CE1-CG 4.47Å; F228-Y240 AromaticContact CE2-CD2 3.7Å; F228-Y240 HydrophobicContact CE2-CD2 3.7Å; F228-Y240 HydrophobicContact CE2-CE2 4.39Å; F228-Y240 HydrophobicContact CE2-CG 4.25Å; F228-Y240 VanDerWaalsContact CZ-CB 3.47Å; F228-Y240 AromaticContact CZ-CD2 3.6Å; F228-Y240 HydrophobicContact CZ-CD2 3.6Å; F228-Y240 AromaticContact CZ-CG 3.66Å; F228-Y240 HydrophobicContact CZ-CG 3.66Å; F228-A241 CarbonylContact C-O 3.59Å; F228-A241 WeakPolarHBondContact CA-O 3.26Å; F228-L242 HydrophobicContact CB-CD1 4.41Å; F228-L242 HydrophobicContact CD2-CD1 4.3Å; F228-P266 HydrophobicContact CD1-CB 4.08Å; F228-P266 HydrophobicContact CE1-CB 4.23Å; F228-I275 HydrophobicContact CB-CD1 4.07Å; F228-I275 HydrophobicContact CD1-CD1 3.36Å; F228-I275 HydrophobicContact CD2-CD1 3.69Å; F228-I275 HydrophobicContact CE1-CD1 3.55Å; F228-I275 HydrophobicContact CE2-CD1 3.86Å; F228-I275 HydrophobicContact CE2-CG2 4.34Å; F228-I275 HydrophobicContact CG-CD1 3.42Å; F228-I275 VanDerWaalsContact CG-CD1 3.42Å; F228-I275 HydrophobicContact CZ-CD1 3.78Å; F228-I275 HydrophobicContact CZ-CG2 4.5Å; F228-L277 HydrophobicContact CE1-CD2 3.7Å; F228-L277 HydrophobicContact CZ-CD1 4.38Å; F228-L277 HydrophobicContact CZ-CD2 4.04Å; F228-I290 HydrophobicContact CD2-CD1 4.07Å; F228-V297 HydrophobicContact CE2-CG1 4.32Å; F228-V297 HydrophobicContact CE2-CG2 4.23Å |
| 229 | T | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 151.8 | 178.8 | 65.9 | 0 | 0 | 0 | 0 | 111.7 | C210 H211 E218 A219 I227 Y240 A241 W243 | C210-T229 HydrophobicContact CB-CG2 4.17Å; H211-T229 WeakPolarHBondContact NE2-CB 3.49Å; H211-T229 PolarHBondContact NE2-OG1 2.65Å; E218-T229 CarbonylContact O-C 3.51Å; E218-T229 WeakPolarHBondContact O-CA 3.29Å; E218-T229 WeakPolarHBondContact O-CB 3.22Å; A219-T229 HydrophobicContact CB-CG2 3.87Å; I227-T229 HydrophobicContact CG2-CG2 3.89Å; T229-Y240 CarbonylContact O-C 3.47Å; T229-Y240 VanDerWaalsContact O-CA 3.22Å; T229-Y240 WeakPolarHBondContact O-CA 3.44Å; T229-A241 PolarHBondContact N-O 3.07Å; T229-A241 PolarHBondContact O-N 2.79Å; T229-W243 PolarHBondContact OG1-NE1 3.06Å |
| 230 | T | 98.7 | Very high | 97.3 | Very high | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.012 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 149.9 | 161 | 79.1 | 0 | 0 | 0 | 0 | 109.7 | H211 Q217 E218 F228 Q239 M264 P266 L277 | H211-T230 VanDerWaalsContact NE2-C 3.35Å; Q217-T230 CarbonylContact C-O 3.53Å; Q217-T230 VanDerWaalsContact CA-O 3.24Å; Q217-T230 WeakPolarHBondContact CA-O 3.02Å; Q217-T230 WeakPolarHBondContact CB-O 3.41Å; E218-T230 PolarHBondContact N-O 2.97Å; E218-T230 PolarHBondContact O-N 3.35Å; F228-T230 HydrophobicContact CD1-CG2 4.48Å; F228-T230 HydrophobicContact CE1-CG2 3.89Å; T230-Q239 WeakPolarHBondContact CA-O 3.12Å; T230-M264 HydrophobicContact CG2-CB 4.11Å; T230-M264 HydrophobicContact CG2-CE 3.84Å; T230-M264 PolarHBondContact OG1-O 2.84Å; T230-P266 HydrophobicContact CG2-CB 4.35Å; T230-P266 HydrophobicContact CG2-CG 4.34Å; T230-L277 HydrophobicContact CG2-CD2 4.07Å |
| 231 | G | 98.3 | Very high | 97.3 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176.1 | -150.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | H211 R238 Q239 | H211-G231 PolarHBondContact NE2-N 3.37Å; G231-R238 WeakPolarHBondContact O-CA 3.41Å; G231-Q239 PolarHBondContact N-O 2.98Å; G231-Q239 PolarHBondContact O-N 3.33Å |
| 232 | F | 98.2 | Very high | 97.3 | Very high | 4 Ų | 4 | 28.9 Ų | 28.9 | 2% | 0.018 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 145.9 | -172.8 | -62.5 | -100.4 | 0 | 0 | 0 | 112 | G213 K215 P216 E237 R238 S260 | G213-F232 WeakPolarHBondContact CA-O 3.4Å; G213-F232 PolarHBondContact N-O 3.42Å; K215-F232 HydrophobicContact CB-CB 4.29Å; K215-F232 HydrophobicContact CB-CD1 4.33Å; K215-F232 HydrophobicContact CB-CD2 3.3Å; K215-F232 HydrophobicContact CB-CE1 4.48Å; K215-F232 HydrophobicContact CB-CE2 3.54Å; K215-F232 HydrophobicContact CB-CG 3.73Å; K215-F232 HydrophobicContact CB-CZ 4.13Å; K215-F232 HydrophobicContact CD-CD1 3.59Å; K215-F232 HydrophobicContact CD-CD2 4.09Å; K215-F232 HydrophobicContact CD-CE1 3.55Å; K215-F232 HydrophobicContact CD-CE2 4.09Å; K215-F232 HydrophobicContact CD-CG 3.84Å; K215-F232 HydrophobicContact CD-CZ 3.82Å; K215-F232 HydrophobicContact CG-CD2 4.32Å; K215-F232 HydrophobicContact CG-CE2 4.48Å; K215-F232 HydrophobicContact CG-CG 4.35Å; P216-F232 WeakPolarHBondContact O-CE2 3.44Å; F232-E237 CarbonylContact C-O 3.58Å; F232-E237 WeakPolarHBondContact CA-O 3.46Å; F232-R238 HydrophobicContact CD1-CG 3.89Å; F232-R238 HydrophobicContact CE1-CG 3.48Å; F232-R238 VanDerWaalsContact CE1-CG 3.48Å; F232-R238 HydrophobicContact CZ-CG 4.15Å; F232-S260 WeakPolarHBondContact CE1-O 3.39Å |
| 233 | S | 97.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.007 | 15% | 0.151 | C | C | . | . | trans | -68.3 | 166.4 | 168.1 | 84.5 | 0 | 0 | 0 | 0 | 110.7 | G213 M235 S236 E237 Q239 | G213-S233 WeakPolarHBondContact CA-O 3.44Å; S233-M235 PolarHBondContact O-N 2.75Å; S233-M235 PolarHBondContact OG-N 2.93Å; S233-M235 VanDerWaalsContact OG-N 3.13Å; S233-S236 PolarHBondContact O-N 2.95Å; S233-S236 PolarHBondContact OG-N 3.11Å; S233-E237 PolarHBondContact N-O 3.02Å; S233-E237 WeakPolarHBondContact OG-CB 3.25Å; S233-E237 PolarHBondContact OG-N 3.05Å; S233-E237 PolarHBondContact OG-OE2 3.07Å; S233-Q239 VanDerWaalsContact CB-NE2 3.27Å | ||
| 234 | P | 96.2 | Very high | 97.5 | Very high | 96 Ų | 96 | 28.4 Ų | 28.4 | 62% | 0.623 | 15% | 0.152 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -31.4 | 169.4 | -24.3 | 35.1 | 0 | 0 | 0 | 112.9 | Q212 S236 | Q212-P234 HydrophobicContact CB-CG 3.65Å; P234-S236 PolarHBondContact O-N 2.84Å |
| 235 | M | 96 | Very high | 97.5 | Very high | 154 Ų | 154 | 27 Ų | 27 | 76% | 0.759 | 14% | 0.143 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | 12.1 | 177.8 | -61.8 | -58.5 | -69.5 | 0 | 0 | 112.8 | S233 E237 | S233-M235 PolarHBondContact O-N 2.75Å; S233-M235 PolarHBondContact OG-N 2.93Å; S233-M235 VanDerWaalsContact OG-N 3.13Å; M235-E237 VanDerWaalsContact C-N 3.31Å; M235-E237 PolarHBondContact O-N 2.81Å |
| 236 | S | 95.9 | Very high | 97.5 | Very high | 44 Ų | 44 | 29.4 Ų | 29.4 | 31% | 0.308 | 16% | 0.155 | S | C | . | . | trans | 66.5 | 21.1 | 178.5 | -68.9 | 0 | 0 | 0 | 0 | 115.8 | S233 P234 | S233-S236 PolarHBondContact O-N 2.95Å; S233-S236 PolarHBondContact OG-N 3.11Å; P234-S236 PolarHBondContact O-N 2.84Å | ||
| 237 | E | 97.9 | Very high | 97.4 | Very high | 55 Ų | 55 | 31.1 Ų | 31.1 | 26% | 0.257 | 17% | 0.167 | S | C | . | . | trans | -76.9 | 137.2 | 169.2 | -65.1 | 140.3 | 145.6 | 0 | 0 | 110.2 | F232 S233 M235 Q239 D258 T259 | F232-E237 CarbonylContact C-O 3.58Å; F232-E237 WeakPolarHBondContact CA-O 3.46Å; S233-E237 PolarHBondContact N-O 3.02Å; S233-E237 WeakPolarHBondContact OG-CB 3.25Å; S233-E237 PolarHBondContact OG-N 3.05Å; S233-E237 PolarHBondContact OG-OE2 3.07Å; M235-E237 VanDerWaalsContact C-N 3.31Å; M235-E237 PolarHBondContact O-N 2.81Å; E237-Q239 PolarHBondContact O-N 3.11Å; E237-D258 CarbonylContact C-O 3.53Å; E237-D258 WeakPolarHBondContact CA-O 3.48Å; E237-T259 HydrophobicContact CG-CG2 3.84Å | ||
| 238 | R | 98.2 | Very high | 97.3 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 0% | 0.004 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 132.1 | 173.7 | -61.7 | -166.4 | -60.4 | 174.7 | -1.8 | 109.8 | G231 F232 L257 D258 S260 G262 M264 D282 | G231-R238 WeakPolarHBondContact O-CA 3.41Å; F232-R238 HydrophobicContact CD1-CG 3.89Å; F232-R238 HydrophobicContact CE1-CG 3.48Å; F232-R238 VanDerWaalsContact CE1-CG 3.48Å; F232-R238 HydrophobicContact CZ-CG 4.15Å; R238-L257 PolarHBondContact O-N 2.78Å; R238-D258 IonicContact CZ-OD1 2.74Å; R238-D258 VanDerWaalsContact CZ-OD1 3.27Å; R238-D258 IonicContact CZ-OD2 2.73Å; R238-D258 PolarHBondContact N-O 3.4Å; R238-D258 IonicContact NE-OD1 3.23Å; R238-D258 PolarHBondContact NE-OD1 2.9Å; R238-D258 IonicContact NE-OD2 2.66Å; R238-D258 VanDerWaalsContact NH2-CG 3.3Å; R238-D258 IonicContact NH2-OD1 3.31Å; R238-D258 PolarHBondContact NH2-OD1 2.92Å; R238-D258 IonicContact NH2-OD2 2.79Å; R238-D258 PolarHBondContact NH2-OD2 3.46Å; R238-S260 WeakPolarHBondContact CD-O 3.34Å; R238-S260 VanDerWaalsContact CG-O 3.29Å; R238-S260 WeakPolarHBondContact CG-O 2.94Å; R238-G262 VanDerWaalsContact CD-O 3.3Å; R238-G262 WeakPolarHBondContact CD-O 3.43Å; R238-G262 PolarHBondContact NH1-O 2.88Å; R238-M264 HydrophobicContact CB-CE 4.17Å; R238-M264 HydrophobicContact CB-SD 3.94Å; R238-M264 HydrophobicContact CG-SD 4.5Å; R238-D282 IonicContact CZ-OD1 3.94Å; R238-D282 IonicContact CZ-OD2 2.78Å; R238-D282 VanDerWaalsContact CZ-OD2 3.23Å; R238-D282 VanDerWaalsContact NH1-CG 3.3Å; R238-D282 IonicContact NH1-OD1 2.76Å; R238-D282 PolarHBondContact NH1-OD1 2.94Å; R238-D282 VanDerWaalsContact NH1-OD1 3.11Å; R238-D282 IonicContact NH1-OD2 2.97Å; R238-D282 PolarHBondContact NH1-OD2 2.81Å; R238-D282 IonicContact NH2-OD1 2.83Å; R238-D282 PolarHBondContact NH2-OD1 3.48Å; R238-D282 IonicContact NH2-OD2 3.49Å; R238-D282 PolarHBondContact NH2-OD2 3.25Å |
| 239 | Q | 98.2 | Very high | 97.2 | Very high | 17 Ų | 17 | 38.4 Ų | 38.4 | 8% | 0.079 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 151.7 | 179.5 | -71.9 | 175.3 | -18.5 | 0 | 0 | 110.1 | H211 T230 G231 S233 E237 Q255 E256 M264 | H211-Q239 PolarHBondContact ND1-OE1 2.88Å; T230-Q239 WeakPolarHBondContact CA-O 3.12Å; G231-Q239 PolarHBondContact N-O 2.98Å; G231-Q239 PolarHBondContact O-N 3.33Å; S233-Q239 VanDerWaalsContact CB-NE2 3.27Å; E237-Q239 PolarHBondContact O-N 3.11Å; Q239-Q255 VanDerWaalsContact CA-O 3.24Å; Q239-Q255 WeakPolarHBondContact CA-O 3.37Å; Q239-E256 HydrophobicContact CG-CB 4.41Å; Q239-E256 HydrophobicContact CG-CG 3.55Å; Q239-E256 PolarHBondContact NE2-OE1 3.39Å; Q239-M264 WeakPolarHBondContact O-CE 3.48Å |
| 240 | Y | 98.4 | Very high | 97 | Very high | 7 Ų | 7 | 45.7 Ų | 45.7 | 3% | 0.027 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 154.3 | 156.8 | 71.7 | -100.5 | 0 | 0 | 0 | 109.9 | F228 T229 H253 I254 Q255 L257 L277 F288 V297 | F228-Y240 HydrophobicContact CE1-CG 4.47Å; F228-Y240 AromaticContact CE2-CD2 3.7Å; F228-Y240 HydrophobicContact CE2-CD2 3.7Å; F228-Y240 HydrophobicContact CE2-CE2 4.39Å; F228-Y240 HydrophobicContact CE2-CG 4.25Å; F228-Y240 VanDerWaalsContact CZ-CB 3.47Å; F228-Y240 AromaticContact CZ-CD2 3.6Å; F228-Y240 HydrophobicContact CZ-CD2 3.6Å; F228-Y240 AromaticContact CZ-CG 3.66Å; F228-Y240 HydrophobicContact CZ-CG 3.66Å; T229-Y240 CarbonylContact O-C 3.47Å; T229-Y240 VanDerWaalsContact O-CA 3.22Å; T229-Y240 WeakPolarHBondContact O-CA 3.44Å; Y240-H253 AromaticContact CE2-CD2 3.66Å; Y240-H253 AromaticContact CE2-NE2 3.75Å; Y240-H253 AromaticContact CZ-NE2 3.94Å; Y240-H253 PolarHBondContact OH-NE2 3.12Å; Y240-I254 WeakPolarHBondContact O-CA 3.36Å; Y240-Q255 HydrophobicContact CD1-CB 4.17Å; Y240-Q255 HydrophobicContact CD2-CB 4.42Å; Y240-Q255 HydrophobicContact CE1-CB 3.57Å; Y240-Q255 HydrophobicContact CE1-CG 3.7Å; Y240-Q255 HydrophobicContact CE2-CB 3.82Å; Y240-Q255 PolarHBondContact N-O 3.24Å; Y240-Q255 PolarHBondContact O-N 3.16Å; Y240-Q255 WeakPolarHBondContact OH-CB 3.5Å; Y240-L257 HydrophobicContact CD1-CD1 4.04Å; Y240-L257 HydrophobicContact CD1-CD2 3.96Å; Y240-L257 HydrophobicContact CD1-CG 4.02Å; Y240-L257 HydrophobicContact CE1-CD2 3.79Å; Y240-L257 HydrophobicContact CE1-CG 4.35Å; Y240-L277 HydrophobicContact CD1-CD1 3.97Å; Y240-L277 HydrophobicContact CG-CD1 4.34Å; Y240-F288 HydrophobicContact CD1-CZ 4.41Å; Y240-F288 HydrophobicContact CE1-CD1 4.43Å; Y240-F288 AromaticContact CE1-CE1 3.69Å; Y240-F288 HydrophobicContact CE1-CE1 3.69Å; Y240-F288 AromaticContact CE1-CZ 3.81Å; Y240-F288 HydrophobicContact CE1-CZ 3.81Å; Y240-F288 AromaticContact CZ-CE1 3.95Å; Y240-V297 HydrophobicContact CD2-CG1 4.44Å; Y240-V297 HydrophobicContact CE2-CB 3.88Å; Y240-V297 HydrophobicContact CE2-CG1 3.64Å; Y240-V297 HydrophobicContact CE2-CG2 4.15Å |
| 241 | A | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 153.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | F228 T229 W243 P251 H253 I254 | F228-A241 CarbonylContact C-O 3.59Å; F228-A241 WeakPolarHBondContact CA-O 3.26Å; T229-A241 PolarHBondContact N-O 3.07Å; T229-A241 PolarHBondContact O-N 2.79Å; A241-W243 HydrophobicContact CB-CZ2 3.64Å; A241-W243 VanDerWaalsContact CB-NE1 3.28Å; A241-P251 HydrophobicContact CB-CB 4.32Å; A241-H253 CarbonylContact C-O 3.59Å; A241-H253 WeakPolarHBondContact CA-O 3.5Å; A241-H253 WeakPolarHBondContact CB-O 3.4Å; A241-I254 HydrophobicContact CB-CB 4.07Å; A241-I254 HydrophobicContact CB-CD1 4.25Å; A241-I254 HydrophobicContact CB-CG1 4Å |
| 242 | L | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 134.4 | 174.1 | -173.9 | 69.7 | 0 | 0 | 0 | 108.9 | I222 R226 I227 F228 P251 L252 H253 I290 Y296 V297 | I222-L242 HydrophobicContact CD1-CD1 3.92Å; R226-L242 HydrophobicContact CB-CD1 4.14Å; I227-L242 CarbonylContact O-C 3.56Å; I227-L242 WeakPolarHBondContact O-CA 3.34Å; F228-L242 HydrophobicContact CB-CD1 4.41Å; F228-L242 HydrophobicContact CD2-CD1 4.3Å; L242-P251 CarbonylContact O-C 3.5Å; L242-L252 HydrophobicContact CD2-CD1 4.39Å; L242-L252 HydrophobicContact CG-CD1 4.3Å; L242-L252 WeakPolarHBondContact O-CB 3.41Å; L242-L252 PolarHBondContact O-N 3.1Å; L242-H253 PolarHBondContact N-O 3Å; L242-H253 PolarHBondContact O-N 2.68Å; L242-I290 HydrophobicContact CD2-CG2 4.37Å; L242-Y296 HydrophobicContact CD2-CG 4.29Å; L242-V297 HydrophobicContact CB-CG2 4.25Å; L242-V297 HydrophobicContact CD2-CG2 4.22Å |
| 243 | W | 98.3 | Very high | 96.8 | Very high | 7 Ų | 7 | 51.8 Ų | 51.8 | 3% | 0.027 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 154 | -171.1 | -52.5 | 85 | 0 | 0 | 0 | 111.5 | C210 R226 I227 T229 A241 F248 P251 | C210-W243 VanDerWaalsContact CA-CZ2 3.41Å; C210-W243 HydrophobicContact CB-CH2 4.14Å; C210-W243 HydrophobicContact CB-CZ2 3.5Å; C210-W243 VanDerWaalsContact CB-CZ2 3.5Å; C210-W243 WeakPolarHBondContact O-CH2 3.32Å; C210-W243 WeakPolarHBondContact O-CZ2 3.17Å; R226-W243 WeakPolarHBondContact CB-O 3.43Å; I227-W243 HydrophobicContact CB-CB 4.34Å; I227-W243 PolarHBondContact N-O 3.06Å; I227-W243 PolarHBondContact O-N 3.13Å; T229-W243 PolarHBondContact OG1-NE1 3.06Å; A241-W243 HydrophobicContact CB-CZ2 3.64Å; A241-W243 VanDerWaalsContact CB-NE1 3.28Å; W243-F248 HydrophobicContact CB-CD1 4.06Å; W243-F248 HydrophobicContact CB-CE1 4.14Å; W243-F248 HydrophobicContact CD2-CD1 4.27Å; W243-F248 HydrophobicContact CE3-CD1 4.24Å; W243-F248 HydrophobicContact CG-CD1 4.2Å; W243-F248 HydrophobicContact CG-CE1 4.43Å; W243-P251 HydrophobicContact CD2-CB 4.05Å; W243-P251 HydrophobicContact CE3-CB 3.87Å; W243-P251 HydrophobicContact CH2-CB 3.68Å; W243-P251 HydrophobicContact CH2-CG 3.93Å; W243-P251 HydrophobicContact CZ2-CB 3.84Å; W243-P251 HydrophobicContact CZ2-CG 4.42Å; W243-P251 HydrophobicContact CZ3-CB 3.71Å; W243-P251 HydrophobicContact CZ3-CG 4.11Å; W243-P251 VanDerWaalsContact CZ3-N 3.35Å |
| 244 | N | 95.8 | Very high | 96.8 | Very high | 73 Ų | 73 | 55.2 Ų | 55.2 | 39% | 0.39 | 29% | 0.29 | S | S | . | . | B | Isolated β-bridge | trans | -72.5 | 141.1 | 162.1 | -170.2 | -29.5 | 0 | 0 | 0 | 109.1 | D246 D247 | N244-D246 PolarHBondContact O-N 2.84Å; N244-D246 PolarHBondContact OD1-N 2.9Å; N244-D246 VanDerWaalsContact OD1-N 3.16Å; N244-D247 HydrophobicContact CB-CB 4.44Å; N244-D247 PolarHBondContact O-N 3.01Å |
| 245 | K | 93.2 | Very high | 96.9 | Very high | 49 Ų | 49 | 54.8 Ų | 54.8 | 21% | 0.213 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -24.9 | 177.7 | 47.9 | 163.8 | 171.3 | -165.5 | 0 | 115 | V206 Y221 D225 I227 | V206-K245 WeakPolarHBondContact CG1-O 3.45Å; Y221-K245 HydrophobicContact CE1-CB 4.42Å; D225-K245 HydrophobicContact CB-CD 3.84Å; D225-K245 VanDerWaalsContact O-CB 3.28Å; D225-K245 WeakPolarHBondContact O-CB 3.16Å; D225-K245 IonicContact OD2-NZ 2.71Å; D225-K245 PolarHBondContact OD2-NZ 3.49Å; I227-K245 HydrophobicContact CD1-CB 4.31Å |
| 246 | D | 95.1 | Very high | 97 | Very high | 80 Ų | 80 | 52 Ų | 52 | 43% | 0.428 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | -1.4 | -174.5 | -59.5 | -50.3 | 0 | 0 | 0 | 111.7 | R184 N244 | R184-D246 IonicContact CZ-OD1 3.66Å; R184-D246 IonicContact NH1-OD1 3.65Å; R184-D246 PolarHBondContact NH1-OD1 2.86Å; R184-D246 IonicContact NH2-OD1 3.63Å; N244-D246 PolarHBondContact O-N 2.84Å; N244-D246 PolarHBondContact OD1-N 2.9Å; N244-D246 VanDerWaalsContact OD1-N 3.16Å |
| 247 | D | 95.9 | Very high | 97 | Very high | 63 Ų | 63 | 52.1 Ų | 52.1 | 34% | 0.337 | 26% | 0.261 | S | S | . | . | B | Isolated β-bridge | trans | -147.3 | 120.6 | -178.7 | -169.7 | 6.5 | 0 | 0 | 0 | 112.9 | N244 N249 | N244-D247 HydrophobicContact CB-CB 4.44Å; N244-D247 PolarHBondContact O-N 3.01Å; D247-N249 VanDerWaalsContact OD1-CB 3.25Å; D247-N249 WeakPolarHBondContact OD1-CB 3.34Å; D247-N249 VanDerWaalsContact OD1-CG 3.3Å; D247-N249 PolarHBondContact OD1-N 2.79Å; D247-N249 PolarHBondContact OD1-ND2 3.17Å |
| 248 | F | 96.8 | Very high | 96.9 | Very high | 6 Ų | 6 | 51.1 Ų | 51.1 | 3% | 0.026 | 26% | 0.258 | C | S | . | . | trans | -110.2 | 12.5 | 175.1 | -66.6 | -45.6 | 0 | 0 | 0 | 113.3 | T194 V196 V206 I227 W243 | T194-F248 HydrophobicContact CG2-CE1 4.2Å; T194-F248 HydrophobicContact CG2-CE2 4Å; T194-F248 HydrophobicContact CG2-CZ 3.66Å; V196-F248 HydrophobicContact CG2-CE2 4.01Å; V196-F248 HydrophobicContact CG2-CZ 3.76Å; V206-F248 HydrophobicContact CG1-CD2 4.24Å; V206-F248 HydrophobicContact CG1-CE2 3.91Å; V206-F248 HydrophobicContact CG2-CD2 4.05Å; I227-F248 HydrophobicContact CB-CE1 4.46Å; I227-F248 HydrophobicContact CD1-CE1 3.73Å; I227-F248 HydrophobicContact CD1-CZ 3.56Å; I227-F248 HydrophobicContact CG2-CE1 4.41Å; W243-F248 HydrophobicContact CB-CD1 4.06Å; W243-F248 HydrophobicContact CB-CE1 4.14Å; W243-F248 HydrophobicContact CD2-CD1 4.27Å; W243-F248 HydrophobicContact CE3-CD1 4.24Å; W243-F248 HydrophobicContact CG-CD1 4.2Å; W243-F248 HydrophobicContact CG-CE1 4.43Å | ||
| 249 | N | 96.1 | Very high | 96.8 | Very high | 147 Ų | 147 | 56.2 Ų | 56.2 | 79% | 0.786 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -75.8 | -39 | 178.6 | -64.7 | -57 | 0 | 0 | 0 | 112.2 | D247 | D247-N249 VanDerWaalsContact OD1-CB 3.25Å; D247-N249 WeakPolarHBondContact OD1-CB 3.34Å; D247-N249 VanDerWaalsContact OD1-CG 3.3Å; D247-N249 PolarHBondContact OD1-N 2.79Å; D247-N249 PolarHBondContact OD1-ND2 3.17Å |
| 250 | E | 95.6 | Very high | 96.7 | Very high | 153 Ų | 153 | 57.4 Ų | 57.4 | 72% | 0.715 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -134 | 128.3 | 179.3 | -170 | 177.1 | -178.9 | 0 | 0 | 110.9 | ||
| 251 | P | 97.3 | Very high | 96.5 | Very high | 35 Ų | 35 | 62.9 Ų | 62.9 | 23% | 0.227 | 33% | 0.329 | C | S | . | . | trans | -72.3 | 142.3 | 174.6 | 28.7 | -31.8 | 0 | 0 | 0 | 110.8 | A241 L242 W243 H253 I254 | A241-P251 HydrophobicContact CB-CB 4.32Å; L242-P251 CarbonylContact O-C 3.5Å; W243-P251 HydrophobicContact CD2-CB 4.05Å; W243-P251 HydrophobicContact CE3-CB 3.87Å; W243-P251 HydrophobicContact CH2-CB 3.68Å; W243-P251 HydrophobicContact CH2-CG 3.93Å; W243-P251 HydrophobicContact CZ2-CB 3.84Å; W243-P251 HydrophobicContact CZ2-CG 4.42Å; W243-P251 HydrophobicContact CZ3-CB 3.71Å; W243-P251 HydrophobicContact CZ3-CG 4.11Å; W243-P251 VanDerWaalsContact CZ3-N 3.35Å; P251-H253 PolarHBondContact O-N 2.69Å; P251-I254 HydrophobicContact CB-CB 4.28Å; P251-I254 HydrophobicContact CG-CB 4Å; P251-I254 HydrophobicContact CG-CG2 3.97Å | ||
| 252 | L | 96.9 | Very high | 96.3 | Very high | 68 Ų | 68 | 63.6 Ų | 63.6 | 36% | 0.356 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -61.7 | -34.1 | 168.3 | -62.7 | 173.8 | 0 | 0 | 0 | 111.3 | R226 L242 Y296 | R226-L252 HydrophobicContact CG-CD1 4.25Å; L242-L252 HydrophobicContact CD2-CD1 4.39Å; L242-L252 HydrophobicContact CG-CD1 4.3Å; L242-L252 WeakPolarHBondContact O-CB 3.41Å; L242-L252 PolarHBondContact O-N 3.1Å; L252-Y296 HydrophobicContact CB-CD2 4.24Å; L252-Y296 HydrophobicContact CB-CE2 4.24Å |
| 253 | H | 97.3 | Very high | 96.3 | Very high | 32 Ų | 32 | 63.8 Ų | 63.8 | 15% | 0.148 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 142.3 | 173.9 | 178.4 | 62.6 | 0 | 0 | 0 | 109.5 | Y240 A241 L242 P251 P295 Y296 | Y240-H253 AromaticContact CE2-CD2 3.66Å; Y240-H253 AromaticContact CE2-NE2 3.75Å; Y240-H253 AromaticContact CZ-NE2 3.94Å; Y240-H253 PolarHBondContact OH-NE2 3.12Å; A241-H253 CarbonylContact C-O 3.59Å; A241-H253 WeakPolarHBondContact CA-O 3.5Å; A241-H253 WeakPolarHBondContact CB-O 3.4Å; L242-H253 PolarHBondContact N-O 3Å; L242-H253 PolarHBondContact O-N 2.68Å; P251-H253 PolarHBondContact O-N 2.69Å; H253-P295 WeakPolarHBondContact CB-O 3.26Å; H253-P295 PolarHBondContact CD2-O 2.78Å; H253-Y296 HydrophobicContact CB-CD2 4.32Å |
| 254 | I | 97.5 | Very high | 96.2 | Very high | 73 Ų | 73 | 63.6 Ų | 63.6 | 37% | 0.374 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 140.1 | 173.8 | -174.3 | 162.3 | 0 | 0 | 0 | 108.9 | Y240 A241 P251 | Y240-I254 WeakPolarHBondContact O-CA 3.36Å; A241-I254 HydrophobicContact CB-CB 4.07Å; A241-I254 HydrophobicContact CB-CD1 4.25Å; A241-I254 HydrophobicContact CB-CG1 4Å; P251-I254 HydrophobicContact CB-CB 4.28Å; P251-I254 HydrophobicContact CG-CB 4Å; P251-I254 HydrophobicContact CG-CG2 3.97Å |
| 255 | Q | 97.7 | Very high | 96.3 | Very high | 86 Ų | 86 | 60.6 Ų | 60.6 | 40% | 0.402 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 132.6 | -177.6 | -179.3 | 62.5 | 64 | 0 | 0 | 110.7 | Q239 Y240 | Q239-Q255 VanDerWaalsContact CA-O 3.24Å; Q239-Q255 WeakPolarHBondContact CA-O 3.37Å; Y240-Q255 HydrophobicContact CD1-CB 4.17Å; Y240-Q255 HydrophobicContact CD2-CB 4.42Å; Y240-Q255 HydrophobicContact CE1-CB 3.57Å; Y240-Q255 HydrophobicContact CE1-CG 3.7Å; Y240-Q255 HydrophobicContact CE2-CB 3.82Å; Y240-Q255 PolarHBondContact N-O 3.24Å; Y240-Q255 PolarHBondContact O-N 3.16Å; Y240-Q255 WeakPolarHBondContact OH-CB 3.5Å |
| 256 | E | 97.4 | Very high | 96.6 | Very high | 95 Ų | 95 | 58.3 Ų | 58.3 | 44% | 0.444 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 140.7 | 168.8 | -73.5 | 170 | -178.8 | 0 | 0 | 110.6 | Q239 | Q239-E256 HydrophobicContact CG-CB 4.41Å; Q239-E256 HydrophobicContact CG-CG 3.55Å; Q239-E256 PolarHBondContact NE2-OE1 3.39Å |
| 257 | L | 96.4 | Very high | 96.7 | Very high | 47 Ų | 47 | 55 Ų | 55 | 25% | 0.246 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | -66.1 | -176 | -68.3 | -179.8 | 0 | 0 | 0 | 112.9 | R238 Y240 M264 L277 F288 | R238-L257 PolarHBondContact O-N 2.78Å; Y240-L257 HydrophobicContact CD1-CD1 4.04Å; Y240-L257 HydrophobicContact CD1-CD2 3.96Å; Y240-L257 HydrophobicContact CD1-CG 4.02Å; Y240-L257 HydrophobicContact CE1-CD2 3.79Å; Y240-L257 HydrophobicContact CE1-CG 4.35Å; L257-M264 HydrophobicContact CD1-CE 3.69Å; L257-M264 HydrophobicContact CD1-SD 3.59Å; L257-M264 VanDerWaalsContact CD1-SD 3.59Å; L257-L277 HydrophobicContact CD1-CD1 4.04Å; L257-F288 HydrophobicContact CD2-CZ 4.29Å |
| 258 | D | 96.1 | Very high | 96.9 | Very high | 35 Ų | 35 | 54 Ų | 54 | 19% | 0.187 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 177.6 | -177.1 | 63.5 | 50.6 | 0 | 0 | 0 | 110.6 | E237 R238 S260 R286 | E237-D258 CarbonylContact C-O 3.53Å; E237-D258 WeakPolarHBondContact CA-O 3.48Å; R238-D258 IonicContact CZ-OD1 2.74Å; R238-D258 VanDerWaalsContact CZ-OD1 3.27Å; R238-D258 IonicContact CZ-OD2 2.73Å; R238-D258 PolarHBondContact N-O 3.4Å; R238-D258 IonicContact NE-OD1 3.23Å; R238-D258 PolarHBondContact NE-OD1 2.9Å; R238-D258 IonicContact NE-OD2 2.66Å; R238-D258 VanDerWaalsContact NH2-CG 3.3Å; R238-D258 IonicContact NH2-OD1 3.31Å; R238-D258 PolarHBondContact NH2-OD1 2.92Å; R238-D258 IonicContact NH2-OD2 2.79Å; R238-D258 PolarHBondContact NH2-OD2 3.46Å; D258-S260 WeakPolarHBondContact OD1-CB 3.39Å; D258-S260 PolarHBondContact OD1-N 2.78Å; D258-S260 PolarHBondContact OD1-OG 3.28Å; D258-R286 IonicContact OD2-CZ 3.36Å; D258-R286 IonicContact OD2-NH1 4Å; D258-R286 PolarHBondContact OD2-NH1 3.05Å; D258-R286 IonicContact OD2-NH2 2.73Å; D258-R286 PolarHBondContact OD2-NH2 3.32Å |
| 259 | T | 96.2 | Very high | 96.9 | Very high | 107 Ų | 107 | 54 Ų | 54 | 66% | 0.656 | 29% | 0.285 | S | S | * | . | trans | -98.9 | 23.3 | -176.2 | 60.8 | 0 | 0 | 0 | 0 | 113.5 | E237 | E237-T259 HydrophobicContact CG-CG2 3.84Š| ||
| 260 | S | 96.2 | Very high | 96.9 | Very high | 42 Ų | 42 | 48 Ų | 48 | 29% | 0.294 | 25% | 0.254 | S | S | . | . | trans | -74.7 | 159.1 | -178.1 | -45.5 | 0 | 0 | 0 | 0 | 111.8 | F232 R238 D258 | F232-S260 WeakPolarHBondContact CE1-O 3.39Å; R238-S260 WeakPolarHBondContact CD-O 3.34Å; R238-S260 VanDerWaalsContact CG-O 3.29Å; R238-S260 WeakPolarHBondContact CG-O 2.94Å; D258-S260 WeakPolarHBondContact OD1-CB 3.39Å; D258-S260 PolarHBondContact OD1-N 2.78Å; D258-S260 PolarHBondContact OD1-OG 3.28Å | ||
| 261 | N | 93.8 | Very high | 97 | Very high | 123 Ų | 123 | 41.6 Ų | 41.6 | 66% | 0.658 | 23% | 0.225 | S | C | * | . | trans | -93.2 | -16.8 | -175.3 | -70.7 | -48.7 | 0 | 0 | 0 | 115 | K215 | K215-N261 PolarHBondContact NZ-OD1 3.47Š| ||
| 262 | G | 95.1 | Very high | 97 | Very high | 14 Ų | 14 | 40.1 Ų | 40.1 | 14% | 0.144 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -71.1 | 130.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | R238 M264 K280 | R238-G262 VanDerWaalsContact CD-O 3.3Å; R238-G262 WeakPolarHBondContact CD-O 3.43Å; R238-G262 PolarHBondContact NH1-O 2.88Å; G262-M264 PolarHBondContact O-N 3.41Å; G262-K280 VanDerWaalsContact CA-O 3.28Å; G262-K280 WeakPolarHBondContact CA-O 3.21Å |
| 263 | V | 96.8 | Very high | 97 | Very high | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.024 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -55.4 | 132.8 | 169.1 | -178.7 | 0 | 0 | 0 | 0 | 109 | D31 P216 E218 F265 G279 K280 | D31-V263 HydrophobicContact CB-CG2 4.24Å; D31-V263 WeakPolarHBondContact OD2-CG2 3.38Å; P216-V263 HydrophobicContact CB-CG2 3.82Å; P216-V263 HydrophobicContact CG-CG2 4.05Å; E218-V263 HydrophobicContact CG-CG1 3.94Å; V263-F265 HydrophobicContact CG1-CE1 4.45Å; V263-F265 HydrophobicContact CG1-CZ 4.34Å; V263-G279 WeakPolarHBondContact O-CA 3.33Å; V263-K280 PolarHBondContact O-N 3.34Å |
| 264 | M | 97.4 | Very high | 97.1 | Very high | 4 Ų | 4 | 38.5 Ų | 38.5 | 2% | 0.02 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 120.9 | -179.8 | -61.6 | -169.6 | -46.5 | 0 | 0 | 110.4 | E218 T230 R238 Q239 L257 G262 P266 L277 | E218-M264 WeakPolarHBondContact CG-O 3.29Å; T230-M264 HydrophobicContact CG2-CB 4.11Å; T230-M264 HydrophobicContact CG2-CE 3.84Å; T230-M264 PolarHBondContact OG1-O 2.84Å; R238-M264 HydrophobicContact CB-CE 4.17Å; R238-M264 HydrophobicContact CB-SD 3.94Å; R238-M264 HydrophobicContact CG-SD 4.5Å; Q239-M264 WeakPolarHBondContact O-CE 3.48Å; L257-M264 HydrophobicContact CD1-CE 3.69Å; L257-M264 HydrophobicContact CD1-SD 3.59Å; L257-M264 VanDerWaalsContact CD1-SD 3.59Å; G262-M264 PolarHBondContact O-N 3.41Å; M264-P266 WeakPolarHBondContact O-CD 3.46Å; M264-L277 HydrophobicContact CE-CD1 4.33Å |
| 265 | F | 98.1 | Very high | 97.1 | Very high | 10 Ų | 10 | 35 Ų | 35 | 4% | 0.044 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 119.8 | 174.7 | -61.8 | -77.5 | 0 | 0 | 0 | 109.5 | D31 R33 E218 V263 F267 C278 K280 | D31-F265 HydrophobicContact CB-CZ 4.27Å; R33-F265 HydrophobicContact CG-CD1 4.49Å; E218-F265 HydrophobicContact CG-CD1 4.16Å; E218-F265 HydrophobicContact CG-CE1 4.47Å; E218-F265 WeakPolarHBondContact OE1-CE1 3.36Å; V263-F265 HydrophobicContact CG1-CE1 4.45Å; V263-F265 HydrophobicContact CG1-CZ 4.34Å; F265-F267 HydrophobicContact CB-CD2 4.49Å; F265-F267 HydrophobicContact CB-CE2 3.69Å; F265-F267 HydrophobicContact CB-CZ 4.12Å; F265-F267 WeakPolarHBondContact O-CD2 3.45Å; F265-C278 PolarHBondContact N-O 3.02Å; F265-C278 PolarHBondContact O-N 3.23Å; F265-C278 VanDerWaalsContact O-N 3.13Å; F265-K280 HydrophobicContact CE2-CB 4.38Å |
| 266 | P | 98.5 | Very high | 97.2 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 132.9 | 171.1 | 32.4 | -33.4 | 0 | 0 | 0 | 110.9 | E218 I220 F228 T230 M264 I275 Y276 L277 | E218-P266 HydrophobicContact CB-CG 4.2Å; I220-P266 HydrophobicContact CD1-CB 3.72Å; I220-P266 HydrophobicContact CD1-CG 3.94Å; I220-P266 HydrophobicContact CG1-CB 4.16Å; I220-P266 HydrophobicContact CG1-CG 3.93Å; I220-P266 HydrophobicContact CG2-CG 3.91Å; F228-P266 HydrophobicContact CD1-CB 4.08Å; F228-P266 HydrophobicContact CE1-CB 4.23Å; T230-P266 HydrophobicContact CG2-CB 4.35Å; T230-P266 HydrophobicContact CG2-CG 4.34Å; M264-P266 WeakPolarHBondContact O-CD 3.46Å; P266-I275 HydrophobicContact CB-CD1 3.99Å; P266-I275 HydrophobicContact CB-CG1 4.35Å; P266-Y276 CarbonylContact C-O 3.58Å; P266-Y276 WeakPolarHBondContact CA-O 3.34Å; P266-L277 HydrophobicContact CB-CD2 3.88Å |
| 267 | F | 98.4 | Very high | 97.2 | Very high | 11 Ų | 11 | 26.5 Ų | 26.5 | 5% | 0.048 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 109.1 | 171.7 | -61 | -95.4 | 0 | 0 | 0 | 108.1 | R33 F265 I275 Y276 C278 M312 W314 F330 | R33-F267 HydrophobicContact CG-CZ 4.33Å; F265-F267 HydrophobicContact CB-CD2 4.49Å; F265-F267 HydrophobicContact CB-CE2 3.69Å; F265-F267 HydrophobicContact CB-CZ 4.12Å; F265-F267 WeakPolarHBondContact O-CD2 3.45Å; F267-I275 CarbonylContact O-C 3.59Å; F267-I275 WeakPolarHBondContact O-CA 3.17Å; F267-Y276 PolarHBondContact N-O 2.74Å; F267-Y276 PolarHBondContact O-N 3.3Å; F267-C278 HydrophobicContact CE2-CB 4.04Å; F267-M312 HydrophobicContact CE2-CB 4.39Å; F267-M312 HydrophobicContact CE2-CG 4.09Å; F267-M312 HydrophobicContact CZ-CB 4.01Å; F267-M312 HydrophobicContact CZ-CG 3.91Å; F267-W314 HydrophobicContact CB-CD2 4.34Å; F267-W314 HydrophobicContact CB-CE3 4.12Å; F267-W314 HydrophobicContact CB-CZ3 4.4Å; F267-W314 HydrophobicContact CD1-CB 3.63Å; F267-W314 HydrophobicContact CD1-CD2 4.4Å; F267-W314 HydrophobicContact CD1-CG 4.05Å; F267-W314 HydrophobicContact CE1-CB 3.89Å; F267-W314 HydrophobicContact CG-CE3 4.5Å; F267-F330 HydrophobicContact CB-CE1 4.39Å; F267-F330 HydrophobicContact CB-CZ 4.36Å; F267-F330 HydrophobicContact CD1-CE1 4.38Å; F267-F330 AromaticContact CD2-CE1 3.86Å; F267-F330 HydrophobicContact CD2-CE1 3.86Å; F267-F330 HydrophobicContact CD2-CZ 4.38Å; F267-F330 HydrophobicContact CE2-CE1 4.2Å; F267-F330 AromaticContact CG-CE1 3.96Å; F267-F330 HydrophobicContact CG-CE1 3.96Å; F267-F330 HydrophobicContact CG-CZ 4.4Å |
| 268 | Y | 98.4 | Very high | 97.3 | Very high | 40 Ų | 40 | 24.3 Ų | 24.3 | 16% | 0.157 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 135.1 | -177.3 | 171.8 | -108.4 | 0 | 0 | 0 | 111 | I222 K223 N273 L274 I275 I290 | I222-Y268 VanDerWaalsContact CA-CE1 3.47Å; I222-Y268 HydrophobicContact CB-CD1 4.1Å; I222-Y268 HydrophobicContact CB-CD2 4.33Å; I222-Y268 HydrophobicContact CB-CE1 3.69Å; I222-Y268 HydrophobicContact CB-CE2 3.93Å; I222-Y268 HydrophobicContact CB-CG 4.4Å; I222-Y268 HydrophobicContact CG2-CD1 3.99Å; I222-Y268 HydrophobicContact CG2-CD2 3.78Å; I222-Y268 HydrophobicContact CG2-CE1 4.07Å; I222-Y268 HydrophobicContact CG2-CE2 3.85Å; I222-Y268 HydrophobicContact CG2-CG 3.85Å; K223-Y268 HydrophobicContact CB-CE1 4.18Å; K223-Y268 VanDerWaalsContact CB-OH 3.31Å; K223-Y268 WeakPolarHBondContact CB-OH 3.42Å; K223-Y268 VanDerWaalsContact N-CE1 3.3Å; K223-Y268 PolarHBondContact N-OH 2.84Å; K223-Y268 VanDerWaalsContact N-OH 3.16Å; Y268-N273 HydrophobicContact CE2-CB 4.48Å; Y268-N273 PolarHBondContact OH-OD1 3.21Å; Y268-L274 WeakPolarHBondContact CD2-O 3.49Å; Y268-I275 HydrophobicContact CD2-CB 4.32Å; Y268-I290 HydrophobicContact CD2-CD1 4.2Å; Y268-I290 HydrophobicContact CE2-CD1 4.21Å |
| 269 | D | 98.2 | Very high | 97.2 | Very high | 7 Ų | 7 | 22.7 Ų | 22.7 | 4% | 0.037 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 109.1 | 174.4 | 176.1 | 6.5 | 0 | 0 | 0 | 109.7 | D271 T272 N273 L274 W314 K317 | D269-D271 PolarHBondContact O-N 2.83Å; D269-D271 WeakPolarHBondContact OD1-CB 3.17Å; D269-D271 PolarHBondContact OD1-N 2.97Å; D269-T272 WeakPolarHBondContact CB-OG1 3.38Å; D269-T272 WeakPolarHBondContact OD2-CB 3.39Å; D269-T272 WeakPolarHBondContact OD2-CG2 3.45Å; D269-T272 PolarHBondContact OD2-OG1 2.9Å; D269-N273 VanDerWaalsContact O-CA 3.28Å; D269-N273 WeakPolarHBondContact O-CA 3.45Å; D269-N273 PolarHBondContact O-N 3.31Å; D269-L274 PolarHBondContact N-O 3.5Å; D269-W314 HydrophobicContact CB-CZ2 4.25Å; D269-K317 VanDerWaalsContact CG-NZ 3.33Å; D269-K317 WeakPolarHBondContact OD1-CE 3.26Å; D269-K317 IonicContact OD1-NZ 2.65Å; D269-K317 PolarHBondContact OD1-NZ 3.01Å; D269-K317 WeakPolarHBondContact OD2-CE 3.36Å; D269-K317 IonicContact OD2-NZ 3.56Å; D269-K317 PolarHBondContact OD2-NZ 3.44Å |
| 270 | S | 96.5 | Very high | 97.1 | Very high | 21 Ų | 21 | 19 Ų | 19 | 15% | 0.147 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -19.7 | -179 | 55.2 | 0 | 0 | 0 | 0 | 114.4 | K223 | K223-S270 VanDerWaalsContact CD-O 3.27Å; K223-S270 WeakPolarHBondContact CD-O 3.42Å |
| 271 | D | 97.2 | Very high | 97.1 | Very high | 18 Ų | 18 | 19.2 Ų | 19.2 | 10% | 0.096 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -34.4 | -173.6 | -59.5 | -8.7 | 0 | 0 | 0 | 110.8 | D269 K317 P359 T361 | D269-D271 PolarHBondContact O-N 2.83Å; D269-D271 WeakPolarHBondContact OD1-CB 3.17Å; D269-D271 PolarHBondContact OD1-N 2.97Å; D271-K317 WeakPolarHBondContact OD2-CE 3.48Å; D271-K317 WeakPolarHBondContact OD2-CG 3.3Å; D271-P359 HydrophobicContact CB-CG 3.8Å; D271-T361 WeakPolarHBondContact OD2-CB 3.39Å; D271-T361 PolarHBondContact OD2-OG1 3.3Å |
| 272 | T | 97 | Very high | 97.2 | Very high | 5 Ų | 5 | 14.1 Ų | 14.1 | 3% | 0.031 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | -10.9 | -178 | 65.6 | 0 | 0 | 0 | 0 | 113.4 | F6 D269 L274 | F6-T272 HydrophobicContact CE1-CG2 3.85Å; F6-T272 VanDerWaalsContact CE2-O 3.23Å; F6-T272 WeakPolarHBondContact CE2-O 3.05Å; F6-T272 VanDerWaalsContact CZ-CB 3.41Å; F6-T272 HydrophobicContact CZ-CG2 3.66Å; D269-T272 WeakPolarHBondContact CB-OG1 3.38Å; D269-T272 WeakPolarHBondContact OD2-CB 3.39Å; D269-T272 WeakPolarHBondContact OD2-CG2 3.45Å; D269-T272 PolarHBondContact OD2-OG1 2.9Å; T272-L274 PolarHBondContact O-N 3.28Å; T272-L274 WeakPolarHBondContact OG1-CB 3.33Å; T272-L274 VanDerWaalsContact OG1-CG 3.26Å; T272-L274 WeakPolarHBondContact OG1-CG 3.39Å; T272-L274 PolarHBondContact OG1-N 3.01Å |
| 273 | N | 97.2 | Very high | 97.2 | Very high | 65 Ų | 65 | 15.2 Ų | 15.2 | 35% | 0.348 | 9% | 0.092 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 23.8 | -167.8 | -64.6 | -39.3 | 0 | 0 | 0 | 113.9 | Y268 D269 I290 | Y268-N273 HydrophobicContact CE2-CB 4.48Å; Y268-N273 PolarHBondContact OH-OD1 3.21Å; D269-N273 VanDerWaalsContact O-CA 3.28Å; D269-N273 WeakPolarHBondContact O-CA 3.45Å; D269-N273 PolarHBondContact O-N 3.31Å; N273-I290 VanDerWaalsContact CB-O 3.29Å; N273-I290 WeakPolarHBondContact CB-O 3.42Å; N273-I290 PolarHBondContact O-N 2.86Å |
| 274 | L | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 142.4 | 173.2 | -63.1 | -176.5 | 0 | 0 | 0 | 110.7 | F6 Y268 D269 T272 Y276 F288 E289 I300 I327 | F6-L274 HydrophobicContact CB-CD1 4.34Å; F6-L274 HydrophobicContact CB-CD2 4.05Å; F6-L274 HydrophobicContact CD1-CD1 4.07Å; F6-L274 HydrophobicContact CD2-CD2 3.99Å; F6-L274 HydrophobicContact CD2-CG 4.36Å; F6-L274 HydrophobicContact CG-CD1 4.1Å; F6-L274 HydrophobicContact CG-CD2 4.06Å; F6-L274 HydrophobicContact CG-CG 4.34Å; Y268-L274 WeakPolarHBondContact CD2-O 3.49Å; D269-L274 PolarHBondContact N-O 3.5Å; T272-L274 PolarHBondContact O-N 3.28Å; T272-L274 WeakPolarHBondContact OG1-CB 3.33Å; T272-L274 VanDerWaalsContact OG1-CG 3.26Å; T272-L274 WeakPolarHBondContact OG1-CG 3.39Å; T272-L274 PolarHBondContact OG1-N 3.01Å; L274-Y276 HydrophobicContact CB-CE2 3.79Å; L274-Y276 WeakPolarHBondContact CD1-OH 3.45Å; L274-F288 CarbonylContact C-O 3.57Å; L274-F288 VanDerWaalsContact CA-O 3.3Å; L274-F288 WeakPolarHBondContact CA-O 3.36Å; L274-E289 HydrophobicContact CD2-CB 3.81Å; L274-E289 HydrophobicContact CD2-CG 4.05Å; L274-I300 HydrophobicContact CD2-CD1 3.28Å; L274-I327 HydrophobicContact CD1-CD1 3.44Å; L274-I327 VanDerWaalsContact CD1-CD1 3.44Å |
| 275 | I | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 136.2 | 171.4 | -168.2 | 163.8 | 0 | 0 | 0 | 109.9 | I220 F228 P266 F267 Y268 L277 Y287 F288 I290 | I220-I275 HydrophobicContact CD1-CD1 3.99Å; F228-I275 HydrophobicContact CB-CD1 4.07Å; F228-I275 HydrophobicContact CD1-CD1 3.36Å; F228-I275 HydrophobicContact CD2-CD1 3.69Å; F228-I275 HydrophobicContact CE1-CD1 3.55Å; F228-I275 HydrophobicContact CE2-CD1 3.86Å; F228-I275 HydrophobicContact CE2-CG2 4.34Å; F228-I275 HydrophobicContact CG-CD1 3.42Å; F228-I275 VanDerWaalsContact CG-CD1 3.42Å; F228-I275 HydrophobicContact CZ-CD1 3.78Å; F228-I275 HydrophobicContact CZ-CG2 4.5Å; P266-I275 HydrophobicContact CB-CD1 3.99Å; P266-I275 HydrophobicContact CB-CG1 4.35Å; F267-I275 CarbonylContact O-C 3.59Å; F267-I275 WeakPolarHBondContact O-CA 3.17Å; Y268-I275 HydrophobicContact CD2-CB 4.32Å; I275-L277 HydrophobicContact CG1-CD2 4.27Å; I275-Y287 CarbonylContact O-C 3.6Å; I275-Y287 WeakPolarHBondContact O-CA 3.45Å; I275-F288 HydrophobicContact CG2-CB 3.81Å; I275-F288 HydrophobicContact CG2-CD2 4.3Å; I275-F288 HydrophobicContact CG2-CG 4.46Å; I275-F288 PolarHBondContact N-O 3.09Å; I275-F288 PolarHBondContact O-N 3.25Å; I275-I290 HydrophobicContact CB-CD1 4.15Å; I275-I290 HydrophobicContact CD1-CD1 4.25Å; I275-I290 HydrophobicContact CG2-CD1 3.94Å; I275-I290 HydrophobicContact CG2-CG1 4.02Å |
| 276 | Y | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 132.4 | -179 | -56.6 | -103.9 | 0 | 0 | 0 | 108.9 | P266 F267 L274 I285 R286 Y287 W314 A328 F330 F344 | P266-Y276 CarbonylContact C-O 3.58Å; P266-Y276 WeakPolarHBondContact CA-O 3.34Å; F267-Y276 PolarHBondContact N-O 2.74Å; F267-Y276 PolarHBondContact O-N 3.3Å; L274-Y276 HydrophobicContact CB-CE2 3.79Å; L274-Y276 WeakPolarHBondContact CD1-OH 3.45Å; Y276-I285 HydrophobicContact CD1-CG2 4.16Å; Y276-R286 CarbonylContact C-O 3.58Å; Y276-R286 WeakPolarHBondContact CA-O 3.22Å; Y276-Y287 VanDerWaalsContact CD1-CB 3.46Å; Y276-Y287 HydrophobicContact CD1-CD1 4.31Å; Y276-Y287 HydrophobicContact CD1-CG 4.06Å; Y276-Y287 HydrophobicContact CE1-CD1 4.48Å; Y276-Y287 HydrophobicContact CE1-CG 4.05Å; Y276-W314 AromaticContact CD2-CH2 3.58Å; Y276-W314 HydrophobicContact CD2-CH2 3.58Å; Y276-W314 AromaticContact CD2-CZ3 3.57Å; Y276-W314 HydrophobicContact CD2-CZ3 3.57Å; Y276-W314 AromaticContact CE2-CH2 3.38Å; Y276-W314 HydrophobicContact CE2-CH2 3.38Å; Y276-W314 AromaticContact CE2-CZ3 3.74Å; Y276-W314 HydrophobicContact CE2-CZ3 3.74Å; Y276-W314 HydrophobicContact CG-CH2 4.47Å; Y276-W314 HydrophobicContact CG-CZ3 4.04Å; Y276-A328 HydrophobicContact CE2-CB 4.32Å; Y276-F330 AromaticContact CD1-CE2 3.62Å; Y276-F330 HydrophobicContact CD1-CE2 3.62Å; Y276-F330 AromaticContact CD1-CZ 3.97Å; Y276-F330 HydrophobicContact CD1-CZ 3.97Å; Y276-F330 HydrophobicContact CD2-CZ 4.37Å; Y276-F330 HydrophobicContact CE1-CE2 4.17Å; Y276-F330 AromaticContact CG-CE2 3.83Å; Y276-F330 HydrophobicContact CG-CE2 3.83Å; Y276-F330 AromaticContact CG-CZ 3.71Å; Y276-F330 HydrophobicContact CG-CZ 3.71Å; Y276-F344 HydrophobicContact CD1-CE1 4.24Å; Y276-F344 HydrophobicContact CD1-CZ 4.39Å; Y276-F344 AromaticContact CE1-CD1 3.71Å; Y276-F344 HydrophobicContact CE1-CD1 3.71Å; Y276-F344 AromaticContact CE1-CE1 3.87Å; Y276-F344 HydrophobicContact CE1-CE1 3.87Å; Y276-F344 HydrophobicContact CE1-CG 4.05Å; Y276-F344 HydrophobicContact CE1-CZ 4.34Å |
| 277 | L | 98.4 | Very high | 97.3 | Very high | 3 Ų | 3 | 17.5 Ų | 17.5 | 2% | 0.016 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 120.3 | 179.8 | -53.6 | -174.9 | 0 | 0 | 0 | 109.3 | F228 T230 Y240 L257 M264 P266 I275 R286 F288 | F228-L277 HydrophobicContact CE1-CD2 3.7Å; F228-L277 HydrophobicContact CZ-CD1 4.38Å; F228-L277 HydrophobicContact CZ-CD2 4.04Å; T230-L277 HydrophobicContact CG2-CD2 4.07Å; Y240-L277 HydrophobicContact CD1-CD1 3.97Å; Y240-L277 HydrophobicContact CG-CD1 4.34Å; L257-L277 HydrophobicContact CD1-CD1 4.04Å; M264-L277 HydrophobicContact CE-CD1 4.33Å; P266-L277 HydrophobicContact CB-CD2 3.88Å; I275-L277 HydrophobicContact CG1-CD2 4.27Å; L277-R286 PolarHBondContact N-O 3.21Å; L277-R286 PolarHBondContact O-N 3.22Å; L277-R286 VanDerWaalsContact O-N 3.15Å; L277-F288 HydrophobicContact CD1-CD2 4.33Å; L277-F288 HydrophobicContact CD1-CE2 3.62Å; L277-F288 HydrophobicContact CD1-CZ 4.25Å; L277-F288 HydrophobicContact CG-CD2 4.34Å; L277-F288 HydrophobicContact CG-CE2 3.91Å |
| 278 | C | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 110.2 | -178.3 | -49 | 0 | 0 | 0 | 0 | 109 | F265 F267 Q309 M312 | F265-C278 PolarHBondContact N-O 3.02Å; F265-C278 PolarHBondContact O-N 3.23Å; F265-C278 VanDerWaalsContact O-N 3.13Å; F267-C278 HydrophobicContact CE2-CB 4.04Å; C278-Q309 VanDerWaalsContact C-NE2 3.33Å; C278-Q309 VanDerWaalsContact CB-NE2 3.28Å; C278-Q309 PolarHBondContact O-NE2 2.93Å; C278-M312 HydrophobicContact CB-CE 4.26Å; C278-M312 HydrophobicContact CB-CG 4.46Å |
| 279 | G | 95.1 | Very high | 97.2 | Very high | 1 Ų | 1 | 16.3 Ų | 16.3 | 1% | 0.01 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 136 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | V263 G281 D282 Q309 | V263-G279 WeakPolarHBondContact O-CA 3.33Å; G279-G281 PolarHBondContact O-N 3.2Å; G279-D282 WeakPolarHBondContact CA-OD2 3.35Å; G279-D282 PolarHBondContact N-OD2 2.95Å; G279-D282 VanDerWaalsContact O-CB 3.23Å; G279-D282 WeakPolarHBondContact O-CB 3.45Å; G279-D282 PolarHBondContact O-N 2.97Å; G279-Q309 WeakPolarHBondContact O-CG 3.21Å; G279-Q309 PolarHBondContact O-NE2 3.3Å |
| 280 | K | 93.7 | Very high | 97.2 | Very high | 31 Ų | 31 | 16.1 Ų | 16.1 | 14% | 0.135 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | 124 | 173.4 | -174.1 | 174.8 | 169.5 | -173 | 0 | 110.7 | S29 W30 D31 G262 V263 F265 D282 | S29-K280 PolarHBondContact O-NZ 3.33Å; W30-K280 VanDerWaalsContact C-NZ 3.31Å; W30-K280 PolarHBondContact O-NZ 3.45Å; D31-K280 VanDerWaalsContact OD1-CD 3.31Å; D31-K280 WeakPolarHBondContact OD1-CD 3.5Å; D31-K280 IonicContact OD1-NZ 3.92Å; D31-K280 PolarHBondContact OD1-NZ 2.88Å; G262-K280 VanDerWaalsContact CA-O 3.28Å; G262-K280 WeakPolarHBondContact CA-O 3.21Å; V263-K280 PolarHBondContact O-N 3.34Å; F265-K280 HydrophobicContact CE2-CB 4.38Å; K280-D282 VanDerWaalsContact C-N 3.31Å |
| 281 | G | 95.2 | Very high | 97.2 | Very high | 46 Ų | 46 | 16.3 Ų | 16.3 | 47% | 0.474 | 10% | 0.098 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.3 | -4.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | G279 P308 Q309 | G279-G281 PolarHBondContact O-N 3.2Å; G281-P308 WeakPolarHBondContact O-CB 3.25Å; G281-Q309 WeakPolarHBondContact CA-O 3.32Å; G281-Q309 PolarHBondContact N-O 3.12Å |
| 282 | D | 96.3 | Very high | 97 | Very high | 15 Ų | 15 | 21.4 Ų | 21.4 | 8% | 0.08 | 13% | 0.125 | C | C | . | . | trans | -75.4 | 155.8 | 173.3 | -67.8 | 3.5 | 0 | 0 | 0 | 110.8 | R238 G279 K280 P308 Q309 | R238-D282 IonicContact CZ-OD1 3.94Å; R238-D282 IonicContact CZ-OD2 2.78Å; R238-D282 VanDerWaalsContact CZ-OD2 3.23Å; R238-D282 VanDerWaalsContact NH1-CG 3.3Å; R238-D282 IonicContact NH1-OD1 2.76Å; R238-D282 PolarHBondContact NH1-OD1 2.94Å; R238-D282 VanDerWaalsContact NH1-OD1 3.11Å; R238-D282 IonicContact NH1-OD2 2.97Å; R238-D282 PolarHBondContact NH1-OD2 2.81Å; R238-D282 IonicContact NH2-OD1 2.83Å; R238-D282 PolarHBondContact NH2-OD1 3.48Å; R238-D282 IonicContact NH2-OD2 3.49Å; R238-D282 PolarHBondContact NH2-OD2 3.25Å; G279-D282 WeakPolarHBondContact CA-OD2 3.35Å; G279-D282 PolarHBondContact N-OD2 2.95Å; G279-D282 VanDerWaalsContact O-CB 3.23Å; G279-D282 WeakPolarHBondContact O-CB 3.45Å; G279-D282 PolarHBondContact O-N 2.97Å; K280-D282 VanDerWaalsContact C-N 3.31Å; D282-P308 CarbonylContact O-C 3.4Å; D282-P308 WeakPolarHBondContact O-CA 3.45Å; D282-Q309 WeakPolarHBondContact O-CG 3.09Å; D282-Q309 PolarHBondContact O-N 2.87Å | ||
| 283 | S | 96.4 | Very high | 96.8 | Very high | 38 Ų | 38 | 27.1 Ų | 27.1 | 27% | 0.266 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -105.3 | 16.6 | 167.6 | 71.6 | 0 | 0 | 0 | 0 | 112.2 | S305 | S283-S305 WeakPolarHBondContact CB-O 3.35Å; S283-S305 PolarHBondContact O-N 3.2Å; S283-S305 PolarHBondContact O-OG 2.76Å; S283-S305 PolarHBondContact OG-O 3.45Å |
| 284 | T | 97.1 | Very high | 96.6 | Very high | 20 Ų | 20 | 30.8 Ų | 30.8 | 12% | 0.123 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 146.2 | -173 | 60 | 0 | 0 | 0 | 0 | 112.8 | R286 M302 L303 T304 | T284-R286 PolarHBondContact OG1-NH1 3.41Å; T284-M302 HydrophobicContact CG2-CE 4.27Å; T284-M302 HydrophobicContact CG2-CG 4.23Å; T284-M302 HydrophobicContact CG2-SD 3.75Å; T284-L303 CarbonylContact C-O 3.4Å; T284-L303 WeakPolarHBondContact CA-O 3.24Å; T284-T304 HydrophobicContact CG2-CG2 4.19Å |
| 285 | I | 98 | Very high | 96.4 | Very high | 4 Ų | 4 | 33.8 Ų | 33.8 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 113.2 | 166.4 | -58.5 | 177 | 0 | 0 | 0 | 107.5 | Y276 M302 L303 M312 F330 I342 F344 | Y276-I285 HydrophobicContact CD1-CG2 4.16Å; I285-M302 CarbonylContact O-C 3.48Å; I285-M302 WeakPolarHBondContact O-CA 3.29Å; I285-L303 HydrophobicContact CB-CB 4.34Å; I285-L303 HydrophobicContact CD1-CD2 4.4Å; I285-L303 PolarHBondContact N-O 3.34Å; I285-L303 PolarHBondContact O-N 3.39Å; I285-M312 HydrophobicContact CD1-CE 3.96Å; I285-M312 HydrophobicContact CG1-CE 4.35Å; I285-F330 HydrophobicContact CD1-CB 4.47Å; I285-F330 HydrophobicContact CD1-CD2 4.2Å; I285-F330 HydrophobicContact CD1-CE2 4.49Å; I285-F330 HydrophobicContact CD1-CG 4.17Å; I285-F330 HydrophobicContact CG2-CE2 4.25Å; I285-F330 HydrophobicContact CG2-CZ 4.33Å; I285-I342 HydrophobicContact CD1-CD1 4.33Å; I285-F344 HydrophobicContact CB-CZ 4.37Å; I285-F344 HydrophobicContact CD1-CE2 4.39Å; I285-F344 HydrophobicContact CD1-CZ 4.38Å; I285-F344 HydrophobicContact CG2-CZ 4.03Å |
| 286 | R | 98.2 | Very high | 96.3 | Very high | 39 Ų | 39 | 36 Ų | 36 | 15% | 0.147 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 142.6 | 175.9 | -66.7 | 178.1 | -179.8 | 91.4 | -9.3 | 109.5 | D258 Y276 L277 T284 F288 M302 | D258-R286 IonicContact OD2-CZ 3.36Å; D258-R286 IonicContact OD2-NH1 4Å; D258-R286 PolarHBondContact OD2-NH1 3.05Å; D258-R286 IonicContact OD2-NH2 2.73Å; D258-R286 PolarHBondContact OD2-NH2 3.32Å; Y276-R286 CarbonylContact C-O 3.58Å; Y276-R286 WeakPolarHBondContact CA-O 3.22Å; L277-R286 PolarHBondContact N-O 3.21Å; L277-R286 PolarHBondContact O-N 3.22Å; L277-R286 VanDerWaalsContact O-N 3.15Å; T284-R286 PolarHBondContact OG1-NH1 3.41Å; R286-F288 HydrophobicContact CB-CE2 3.78Å; R286-F288 HydrophobicContact CB-CZ 4.18Å; R286-M302 HydrophobicContact CG-CB 4.17Å; R286-M302 HydrophobicContact CG-CG 3.78Å; R286-M302 HydrophobicContact CG-SD 3.67Å |
| 287 | Y | 98.3 | Very high | 96.2 | Very high | 3 Ų | 3 | 36.1 Ų | 36.1 | 1% | 0.012 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 145.2 | -179.9 | 49.9 | -82.6 | 0 | 0 | 0 | 113.4 | V9 I275 Y276 I300 N301 F344 | V9-Y287 HydrophobicContact CB-CE2 4.21Å; V9-Y287 HydrophobicContact CG1-CE2 4Å; V9-Y287 PolarHBondContact O-OH 3.18Å; I275-Y287 CarbonylContact O-C 3.6Å; I275-Y287 WeakPolarHBondContact O-CA 3.45Å; Y276-Y287 VanDerWaalsContact CD1-CB 3.46Å; Y276-Y287 HydrophobicContact CD1-CD1 4.31Å; Y276-Y287 HydrophobicContact CD1-CG 4.06Å; Y276-Y287 HydrophobicContact CE1-CD1 4.48Å; Y276-Y287 HydrophobicContact CE1-CG 4.05Å; Y287-I300 HydrophobicContact CD2-CB 3.78Å; Y287-I300 HydrophobicContact CD2-CD1 4.3Å; Y287-I300 HydrophobicContact CD2-CG2 3.87Å; Y287-I300 HydrophobicContact CE2-CB 3.99Å; Y287-I300 HydrophobicContact CE2-CG2 3.58Å; Y287-I300 PolarHBondContact O-N 3.45Å; Y287-N301 WeakPolarHBondContact CD1-O 3.35Å; Y287-N301 HydrophobicContact CE1-CB 4.27Å; Y287-N301 WeakPolarHBondContact CE1-O 3.31Å; Y287-N301 HydrophobicContact CE2-CB 3.81Å; Y287-N301 PolarHBondContact N-O 2.89Å; Y287-N301 PolarHBondContact O-N 2.78Å; Y287-N301 WeakPolarHBondContact OH-CB 3.34Å; Y287-F344 AromaticContact CD1-CE1 3.79Å; Y287-F344 HydrophobicContact CD1-CE1 3.79Å; Y287-F344 HydrophobicContact CE1-CD1 4.39Å; Y287-F344 AromaticContact CE1-CE1 3.55Å; Y287-F344 HydrophobicContact CE1-CE1 3.55Å; Y287-F344 HydrophobicContact CE1-CZ 4.43Å; Y287-F344 HydrophobicContact CG-CE1 4.46Å; Y287-F344 AromaticContact CZ-CE1 3.98Å |
| 288 | F | 98.2 | Very high | 96.2 | Very high | 4 Ų | 4 | 37.3 Ų | 37.3 | 2% | 0.018 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 157.6 | -168.2 | -50.1 | -106.8 | 0 | 0 | 0 | 109.2 | Y240 L257 L274 I275 L277 R286 V297 H298 Y299 | Y240-F288 HydrophobicContact CD1-CZ 4.41Å; Y240-F288 HydrophobicContact CE1-CD1 4.43Å; Y240-F288 AromaticContact CE1-CE1 3.69Å; Y240-F288 HydrophobicContact CE1-CE1 3.69Å; Y240-F288 AromaticContact CE1-CZ 3.81Å; Y240-F288 HydrophobicContact CE1-CZ 3.81Å; Y240-F288 AromaticContact CZ-CE1 3.95Å; L257-F288 HydrophobicContact CD2-CZ 4.29Å; L274-F288 CarbonylContact C-O 3.57Å; L274-F288 VanDerWaalsContact CA-O 3.3Å; L274-F288 WeakPolarHBondContact CA-O 3.36Å; I275-F288 HydrophobicContact CG2-CB 3.81Å; I275-F288 HydrophobicContact CG2-CD2 4.3Å; I275-F288 HydrophobicContact CG2-CG 4.46Å; I275-F288 PolarHBondContact N-O 3.09Å; I275-F288 PolarHBondContact O-N 3.25Å; L277-F288 HydrophobicContact CD1-CD2 4.33Å; L277-F288 HydrophobicContact CD1-CE2 3.62Å; L277-F288 HydrophobicContact CD1-CZ 4.25Å; L277-F288 HydrophobicContact CG-CD2 4.34Å; L277-F288 HydrophobicContact CG-CE2 3.91Å; R286-F288 HydrophobicContact CB-CE2 3.78Å; R286-F288 HydrophobicContact CB-CZ 4.18Å; F288-V297 HydrophobicContact CB-CG1 3.68Å; F288-V297 HydrophobicContact CD1-CG1 3.87Å; F288-V297 HydrophobicContact CG-CG1 3.94Å; F288-H298 CarbonylContact C-O 3.44Å; F288-H298 WeakPolarHBondContact CA-O 3.09Å; F288-H298 WeakPolarHBondContact CB-O 3.31Å; F288-Y299 VanDerWaalsContact CD1-CA 3.45Å; F288-Y299 HydrophobicContact CD1-CD2 4.06Å; F288-Y299 HydrophobicContact CD1-CG 4.46Å; F288-Y299 AromaticContact CE1-CD2 3.62Å; F288-Y299 HydrophobicContact CE1-CD2 3.62Å; F288-Y299 HydrophobicContact CE1-CG 4.26Å; F288-Y299 AromaticContact CZ-CD2 3.94Å; F288-Y299 HydrophobicContact CZ-CD2 3.94Å |
| 289 | E | 97.9 | Very high | 96.1 | Very high | 23 Ų | 23 | 43.1 Ų | 43.1 | 11% | 0.107 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 131.5 | 169.1 | -170.5 | -179.7 | 149.8 | 0 | 0 | 109.6 | R2 S4 F6 L274 T291 H298 I300 | R2-E289 IonicContact CZ-OE1 2.63Å; R2-E289 IonicContact CZ-OE2 2.75Å; R2-E289 IonicContact NH1-OE1 2.79Å; R2-E289 PolarHBondContact NH1-OE1 3.2Å; R2-E289 IonicContact NH1-OE2 2.87Å; R2-E289 PolarHBondContact NH1-OE2 3.06Å; R2-E289 VanDerWaalsContact NH2-CD 3.29Å; R2-E289 IonicContact NH2-OE1 3.78Å; R2-E289 IonicContact NH2-OE2 3.19Å; R2-E289 PolarHBondContact NH2-OE2 3.47Å; S4-E289 WeakPolarHBondContact CB-OE2 3.32Å; S4-E289 PolarHBondContact OG-OE2 2.96Å; F6-E289 HydrophobicContact CD2-CG 4.43Å; L274-E289 HydrophobicContact CD2-CB 3.81Å; L274-E289 HydrophobicContact CD2-CG 4.05Å; E289-T291 HydrophobicContact CG-CG2 4.15Å; E289-H298 PolarHBondContact N-O 3.14Å; E289-H298 PolarHBondContact O-N 3.25Å; E289-I300 HydrophobicContact CB-CD1 4.05Å; E289-I300 HydrophobicContact CB-CG1 4.4Å |
| 290 | I | 97.3 | Very high | 96.2 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 131.8 | 176 | -54.9 | 178 | 0 | 0 | 0 | 109.1 | I222 F228 L242 Y268 N273 I275 Y296 V297 | I222-I290 HydrophobicContact CD1-CD1 4.21Å; I222-I290 HydrophobicContact CD1-CG2 3.75Å; I222-I290 HydrophobicContact CG2-CD1 3.92Å; F228-I290 HydrophobicContact CD2-CD1 4.07Å; L242-I290 HydrophobicContact CD2-CG2 4.37Å; Y268-I290 HydrophobicContact CD2-CD1 4.2Å; Y268-I290 HydrophobicContact CE2-CD1 4.21Å; N273-I290 VanDerWaalsContact CB-O 3.29Å; N273-I290 WeakPolarHBondContact CB-O 3.42Å; N273-I290 PolarHBondContact O-N 2.86Å; I275-I290 HydrophobicContact CB-CD1 4.15Å; I275-I290 HydrophobicContact CD1-CD1 4.25Å; I275-I290 HydrophobicContact CG2-CD1 3.94Å; I275-I290 HydrophobicContact CG2-CG1 4.02Å; I290-Y296 CarbonylContact C-O 3.59Å; I290-Y296 VanDerWaalsContact CA-O 3.3Å; I290-Y296 WeakPolarHBondContact CA-O 3.39Å; I290-V297 HydrophobicContact CG1-CG2 4.47Å |
| 291 | T | 95.7 | Very high | 96.4 | Very high | 26 Ų | 26 | 46.3 Ų | 46.3 | 16% | 0.16 | 24% | 0.242 | C | C | . | . | trans | -141.1 | 175.3 | 179.1 | 68 | 0 | 0 | 0 | 0 | 110.6 | R2 R226 E289 E293 Y296 H298 | R2-T291 VanDerWaalsContact NH1-CG2 3.33Å; R226-T291 PolarHBondContact NH1-O 2.79Å; E289-T291 HydrophobicContact CG-CG2 4.15Å; T291-E293 VanDerWaalsContact C-N 3.34Å; T291-E293 PolarHBondContact OG1-N 3.18Å; T291-E293 PolarHBondContact OG1-O 3.03Å; T291-Y296 PolarHBondContact N-O 2.89Å; T291-Y296 WeakPolarHBondContact O-CA 3.13Å; T291-Y296 WeakPolarHBondContact O-CD1 3.45Å; T291-H298 PolarHBondContact OG1-CD2 2.91Å; T291-H298 VanDerWaalsContact OG1-CD2 3.27Å; T291-H298 PolarHBondContact OG1-NE2 2.84Å | ||
| 292 | D | 93.1 | Very high | 96.5 | Very high | 125 Ų | 125 | 46.9 Ų | 46.9 | 67% | 0.668 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -88.1 | -6.1 | 174.8 | -56.1 | -30.4 | 0 | 0 | 0 | 112.9 | R226 Y296 | R226-D292 IonicContact CZ-OD1 2.73Å; R226-D292 IonicContact NH1-OD1 3.41Å; R226-D292 IonicContact NH2-OD1 3.04Å; R226-D292 PolarHBondContact NH2-OD1 2.65Å; D292-Y296 VanDerWaalsContact O-CE1 3.24Å; D292-Y296 WeakPolarHBondContact O-CE1 3.48Å |
| 293 | E | 93.1 | Very high | 96.5 | Very high | 125 Ų | 125 | 47.3 Ų | 47.3 | 58% | 0.584 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -87.9 | 126.6 | 175.9 | -171.8 | -172.7 | 177.4 | 0 | 0 | 110.2 | T291 Y296 H298 | T291-E293 VanDerWaalsContact C-N 3.34Å; T291-E293 PolarHBondContact OG1-N 3.18Å; T291-E293 PolarHBondContact OG1-O 3.03Å; E293-Y296 WeakPolarHBondContact O-CA 3.17Å; E293-Y296 PolarHBondContact O-N 3.26Å; E293-H298 PolarHBondContact O-NE2 3.02Å; E293-H298 VanDerWaalsContact O-NE2 3.1Å |
| 294 | Q | 93.3 | Very high | 96.5 | Very high | 141 Ų | 141 | 49.7 Ų | 49.7 | 66% | 0.659 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | 137.3 | 173.2 | -75.4 | -174.6 | 6.6 | 0 | 0 | 111.3 | Y296 | Q294-Y296 VanDerWaalsContact C-N 3.3Å; Q294-Y296 VanDerWaalsContact CA-N 3.28Å; Q294-Y296 HydrophobicContact CG-CD2 4.2Å; Q294-Y296 HydrophobicContact CG-CE1 4.2Å; Q294-Y296 HydrophobicContact CG-CE2 3.49Å; Q294-Y296 VanDerWaalsContact CG-CE2 3.49Å; Q294-Y296 VanDerWaalsContact CG-CZ 3.47Å; Q294-Y296 WeakPolarHBondContact CG-OH 3.46Å; Q294-Y296 PolarHBondContact NE2-OH 2.97Å |
| 295 | P | 94.2 | Very high | 96.3 | Very high | 63 Ų | 63 | 50 Ų | 50 | 41% | 0.409 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -84 | 22.2 | 9 | 35.7 | -39.5 | 0 | 0 | 0 | 115.1 | H253 V297 | H253-P295 WeakPolarHBondContact CB-O 3.26Å; H253-P295 PolarHBondContact CD2-O 2.78Å; P295-V297 PolarHBondContact O-N 2.84Å |
| 296 | Y | 96.1 | Very high | 96 | Very high | 46 Ų | 46 | 54.7 Ų | 54.7 | 18% | 0.18 | 28% | 0.284 | C | S | . | . | S | Bend | trans | 69.1 | -46 | -179.1 | -50.6 | -76.3 | 0 | 0 | 0 | 114.3 | L242 L252 H253 I290 T291 D292 E293 Q294 H298 | L242-Y296 HydrophobicContact CD2-CG 4.29Å; L252-Y296 HydrophobicContact CB-CD2 4.24Å; L252-Y296 HydrophobicContact CB-CE2 4.24Å; H253-Y296 HydrophobicContact CB-CD2 4.32Å; I290-Y296 CarbonylContact C-O 3.59Å; I290-Y296 VanDerWaalsContact CA-O 3.3Å; I290-Y296 WeakPolarHBondContact CA-O 3.39Å; T291-Y296 PolarHBondContact N-O 2.89Å; T291-Y296 WeakPolarHBondContact O-CA 3.13Å; T291-Y296 WeakPolarHBondContact O-CD1 3.45Å; D292-Y296 VanDerWaalsContact O-CE1 3.24Å; D292-Y296 WeakPolarHBondContact O-CE1 3.48Å; E293-Y296 WeakPolarHBondContact O-CA 3.17Å; E293-Y296 PolarHBondContact O-N 3.26Å; Q294-Y296 VanDerWaalsContact C-N 3.3Å; Q294-Y296 VanDerWaalsContact CA-N 3.28Å; Q294-Y296 HydrophobicContact CG-CD2 4.2Å; Q294-Y296 HydrophobicContact CG-CE1 4.2Å; Q294-Y296 HydrophobicContact CG-CE2 3.49Å; Q294-Y296 VanDerWaalsContact CG-CE2 3.49Å; Q294-Y296 VanDerWaalsContact CG-CZ 3.47Å; Q294-Y296 WeakPolarHBondContact CG-OH 3.46Å; Q294-Y296 PolarHBondContact NE2-OH 2.97Å; Y296-H298 PolarHBondContact O-CD2 2.97Å |
| 297 | V | 97.4 | Very high | 95.8 | Very high | 4 Ų | 4 | 54.6 Ų | 54.6 | 2% | 0.024 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 111.5 | 179.7 | -172.2 | 0 | 0 | 0 | 0 | 109.4 | F228 Y240 L242 F288 I290 P295 | F228-V297 HydrophobicContact CE2-CG1 4.32Å; F228-V297 HydrophobicContact CE2-CG2 4.23Å; Y240-V297 HydrophobicContact CD2-CG1 4.44Å; Y240-V297 HydrophobicContact CE2-CB 3.88Å; Y240-V297 HydrophobicContact CE2-CG1 3.64Å; Y240-V297 HydrophobicContact CE2-CG2 4.15Å; L242-V297 HydrophobicContact CB-CG2 4.25Å; L242-V297 HydrophobicContact CD2-CG2 4.22Å; F288-V297 HydrophobicContact CB-CG1 3.68Å; F288-V297 HydrophobicContact CD1-CG1 3.87Å; F288-V297 HydrophobicContact CG-CG1 3.94Å; I290-V297 HydrophobicContact CG1-CG2 4.47Å; P295-V297 PolarHBondContact O-N 2.84Å |
| 298 | H | 97.1 | Very high | 95.7 | Very high | 28 Ų | 28 | 57.9 Ų | 57.9 | 13% | 0.13 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 113.4 | -174 | -61.7 | -94.5 | 0 | 0 | 0 | 110.3 | R2 F288 E289 T291 E293 Y296 I300 | R2-H298 VanDerWaalsContact NE-CG 3.31Å; R2-H298 PolarHBondContact NE-ND1 3.03Å; F288-H298 CarbonylContact C-O 3.44Å; F288-H298 WeakPolarHBondContact CA-O 3.09Å; F288-H298 WeakPolarHBondContact CB-O 3.31Å; E289-H298 PolarHBondContact N-O 3.14Å; E289-H298 PolarHBondContact O-N 3.25Å; T291-H298 PolarHBondContact OG1-CD2 2.91Å; T291-H298 VanDerWaalsContact OG1-CD2 3.27Å; T291-H298 PolarHBondContact OG1-NE2 2.84Å; E293-H298 PolarHBondContact O-NE2 3.02Å; E293-H298 VanDerWaalsContact O-NE2 3.1Å; Y296-H298 PolarHBondContact O-CD2 2.97Å; H298-I300 PolarHBondContact O-N 2.97Å |
| 299 | Y | 97.1 | Very high | 95.6 | Very high | 122 Ų | 122 | 58 Ų | 58 | 48% | 0.478 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 131.4 | 174.1 | 178.5 | -100.5 | 0 | 0 | 0 | 111.2 | F288 N301 M302 | F288-Y299 VanDerWaalsContact CD1-CA 3.45Å; F288-Y299 HydrophobicContact CD1-CD2 4.06Å; F288-Y299 HydrophobicContact CD1-CG 4.46Å; F288-Y299 AromaticContact CE1-CD2 3.62Å; F288-Y299 HydrophobicContact CE1-CD2 3.62Å; F288-Y299 HydrophobicContact CE1-CG 4.26Å; F288-Y299 AromaticContact CZ-CD2 3.94Å; F288-Y299 HydrophobicContact CZ-CD2 3.94Å; Y299-N301 WeakPolarHBondContact CE2-O 3.27Å; Y299-N301 VanDerWaalsContact CZ-C 3.43Å; Y299-N301 VanDerWaalsContact CZ-CA 3.46Å; Y299-N301 WeakPolarHBondContact OH-CA 3.27Å; Y299-M302 VanDerWaalsContact OH-CB 3.28Å; Y299-M302 WeakPolarHBondContact OH-CB 3.48Å; Y299-M302 PolarHBondContact OH-N 2.59Å |
| 300 | I | 96.8 | Very high | 95.5 | Very high | 23 Ų | 23 | 59.1 Ų | 59.1 | 12% | 0.118 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | -67 | 172.8 | -65 | 168.8 | 0 | 0 | 0 | 109.2 | F6 L274 Y287 E289 H298 | F6-I300 HydrophobicContact CB-CD1 3.94Å; F6-I300 WeakPolarHBondContact O-CG2 3.36Å; L274-I300 HydrophobicContact CD2-CD1 3.28Å; Y287-I300 HydrophobicContact CD2-CB 3.78Å; Y287-I300 HydrophobicContact CD2-CD1 4.3Å; Y287-I300 HydrophobicContact CD2-CG2 3.87Å; Y287-I300 HydrophobicContact CE2-CB 3.99Å; Y287-I300 HydrophobicContact CE2-CG2 3.58Å; Y287-I300 PolarHBondContact O-N 3.45Å; E289-I300 HydrophobicContact CB-CD1 4.05Å; E289-I300 HydrophobicContact CB-CG1 4.4Å; H298-I300 PolarHBondContact O-N 2.97Å |
| 301 | N | 97.1 | Very high | 95.5 | Very high | 76 Ų | 76 | 59.2 Ų | 59.2 | 41% | 0.406 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.2 | -176.4 | -175.1 | -158.5 | -6.8 | 0 | 0 | 0 | 110.6 | Y287 Y299 | Y287-N301 WeakPolarHBondContact CD1-O 3.35Å; Y287-N301 HydrophobicContact CE1-CB 4.27Å; Y287-N301 WeakPolarHBondContact CE1-O 3.31Å; Y287-N301 HydrophobicContact CE2-CB 3.81Å; Y287-N301 PolarHBondContact N-O 2.89Å; Y287-N301 PolarHBondContact O-N 2.78Å; Y287-N301 WeakPolarHBondContact OH-CB 3.34Å; Y299-N301 WeakPolarHBondContact CE2-O 3.27Å; Y299-N301 VanDerWaalsContact CZ-C 3.43Å; Y299-N301 VanDerWaalsContact CZ-CA 3.46Å; Y299-N301 WeakPolarHBondContact OH-CA 3.27Å |
| 302 | M | 97.1 | Very high | 95.6 | Very high | 58 Ų | 58 | 58 Ų | 58 | 29% | 0.286 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 126.2 | 179.2 | 177.4 | 175.4 | 71 | 0 | 0 | 110.1 | T284 I285 R286 Y299 | T284-M302 HydrophobicContact CG2-CE 4.27Å; T284-M302 HydrophobicContact CG2-CG 4.23Å; T284-M302 HydrophobicContact CG2-SD 3.75Å; I285-M302 CarbonylContact O-C 3.48Å; I285-M302 WeakPolarHBondContact O-CA 3.29Å; R286-M302 HydrophobicContact CG-CB 4.17Å; R286-M302 HydrophobicContact CG-CG 3.78Å; R286-M302 HydrophobicContact CG-SD 3.67Å; Y299-M302 VanDerWaalsContact OH-CB 3.28Å; Y299-M302 WeakPolarHBondContact OH-CB 3.48Å; Y299-M302 PolarHBondContact OH-N 2.59Å |
| 303 | L | 97.7 | Very high | 95.8 | Very high | 24 Ų | 24 | 52.1 Ų | 52.1 | 13% | 0.126 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 128.1 | 166.4 | 177.1 | 65.2 | 0 | 0 | 0 | 108.3 | G11 T284 I285 I342 F344 | G11-L303 WeakPolarHBondContact O-CD1 3.38Å; T284-L303 CarbonylContact C-O 3.4Å; T284-L303 WeakPolarHBondContact CA-O 3.24Å; I285-L303 HydrophobicContact CB-CB 4.34Å; I285-L303 HydrophobicContact CD1-CD2 4.4Å; I285-L303 PolarHBondContact N-O 3.34Å; I285-L303 PolarHBondContact O-N 3.39Å; L303-I342 HydrophobicContact CD2-CD1 4.15Å; L303-I342 HydrophobicContact CD2-CG2 3.47Å; L303-I342 VanDerWaalsContact CD2-CG2 3.47Å; L303-F344 HydrophobicContact CB-CZ 4.25Å; L303-F344 HydrophobicContact CD2-CE2 4.43Å; L303-F344 HydrophobicContact CD2-CZ 4.08Å |
| 304 | T | 96.5 | Very high | 96.1 | Very high | 88 Ų | 88 | 48.7 Ų | 48.7 | 54% | 0.54 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 138.7 | 174.2 | -54.6 | 0 | 0 | 0 | 0 | 109.6 | T284 | T284-T304 HydrophobicContact CG2-CG2 4.19Å |
| 305 | S | 92.6 | Very high | 96.3 | Very high | 27 Ų | 27 | 42 Ų | 42 | 19% | 0.189 | 23% | 0.226 | C | C | . | . | trans | -135.9 | 170.8 | 177.4 | 62.6 | 0 | 0 | 0 | 0 | 110.5 | S283 K332 | S283-S305 WeakPolarHBondContact CB-O 3.35Å; S283-S305 PolarHBondContact O-N 3.2Å; S283-S305 PolarHBondContact O-OG 2.76Å; S283-S305 PolarHBondContact OG-O 3.45Å; S305-K332 PolarHBondContact OG-NZ 2.99Å | ||
| 306 | S | 90.5 | Very high | 96.5 | Very high | 102 Ų | 102 | 41 Ų | 41 | 71% | 0.713 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -81 | -36.2 | 178.8 | 45.6 | 0 | 0 | 0 | 0 | 113.5 | ||
| 307 | D | 94.5 | Very high | 96.6 | Very high | 36 Ų | 36 | 39.8 Ų | 39.8 | 19% | 0.193 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -98.2 | 131.4 | -167.4 | -68.1 | -91.7 | 0 | 0 | 0 | 111.6 | K332 H334 K336 | D307-K332 VanDerWaalsContact O-CE 3.22Å; D307-K332 WeakPolarHBondContact O-CE 3.35Å; D307-K332 PolarHBondContact O-NZ 2.99Å; D307-H334 VanDerWaalsContact CB-CE1 3.4Å; D307-H334 WeakPolarHBondContact CB-CE1 3.2Å; D307-H334 WeakPolarHBondContact CB-ND1 3.46Å; D307-K336 IonicContact OD1-NZ 2.62Å; D307-K336 PolarHBondContact OD1-NZ 3.37Å |
| 308 | P | 96 | Very high | 96.5 | Very high | 73 Ų | 73 | 40.6 Ų | 40.6 | 47% | 0.474 | 22% | 0.217 | S | C | . | . | P | Polyproline II helix | trans | -61.9 | 137.6 | 175.5 | -27.2 | 36.7 | 0 | 0 | 0 | 113.3 | G281 D282 | G281-P308 WeakPolarHBondContact O-CB 3.25Å; D282-P308 CarbonylContact O-C 3.4Å; D282-P308 WeakPolarHBondContact O-CA 3.45Å |
| 309 | Q | 96.4 | Very high | 96.5 | Very high | 6 Ų | 6 | 40 Ų | 40 | 3% | 0.028 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 131.6 | 172.4 | 71.1 | -179.6 | 60 | 0 | 0 | 111 | C278 G279 G281 D282 M312 K332 L333 | C278-Q309 VanDerWaalsContact C-NE2 3.33Å; C278-Q309 VanDerWaalsContact CB-NE2 3.28Å; C278-Q309 PolarHBondContact O-NE2 2.93Å; G279-Q309 WeakPolarHBondContact O-CG 3.21Å; G279-Q309 PolarHBondContact O-NE2 3.3Å; G281-Q309 WeakPolarHBondContact CA-O 3.32Å; G281-Q309 PolarHBondContact N-O 3.12Å; D282-Q309 WeakPolarHBondContact O-CG 3.09Å; D282-Q309 PolarHBondContact O-N 2.87Å; Q309-M312 HydrophobicContact CB-CE 4.14Å; Q309-M312 VanDerWaalsContact OE1-CE 3.28Å; Q309-K332 HydrophobicContact CB-CD 4.3Å; Q309-K332 HydrophobicContact CB-CG 3.91Å; Q309-L333 CarbonylContact C-O 3.49Å; Q309-L333 WeakPolarHBondContact CA-O 3.4Å |
| 310 | R | 96.3 | Very high | 96.5 | Very high | 46 Ų | 46 | 35.1 Ų | 35.1 | 17% | 0.174 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | -29.8 | 175 | -177.2 | 59.8 | 178.8 | 133 | 25.8 | 112.3 | I25 T26 K27 S28 F34 L333 | I25-R310 HydrophobicContact CG2-CG 3.96Å; T26-R310 PolarHBondContact O-NE 3.07Å; T26-R310 VanDerWaalsContact O-NE 3.14Å; T26-R310 PolarHBondContact O-NH2 3.45Å; K27-R310 PolarHBondContact O-NH2 2.94Å; S28-R310 PolarHBondContact O-NH1 2.84Å; S28-R310 PolarHBondContact O-NH2 3.39Å; F34-R310 WeakPolarHBondContact CD2-O 3.14Å; R310-L333 HydrophobicContact CB-CB 4.29Å; R310-L333 WeakPolarHBondContact CB-O 3.44Å; R310-L333 PolarHBondContact N-O 3.29Å |
| 311 | G | 97.1 | Very high | 96.4 | Very high | 5 Ų | 5 | 36.9 Ų | 36.9 | 5% | 0.052 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.7 | 170.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | R33 L333 | R33-G311 CarbonylContact O-C 3.53Å; R33-G311 WeakPolarHBondContact O-CA 3.47Å; G311-L333 PolarHBondContact O-N 3.24Å |
| 312 | M | 98 | Very high | 96.2 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 117.8 | -171.2 | -168.3 | 64.5 | 71.9 | 0 | 0 | 111 | R33 F267 C278 I285 Q309 F330 K332 | R33-M312 WeakPolarHBondContact CB-O 3.41Å; R33-M312 PolarHBondContact O-N 3.32Å; F267-M312 HydrophobicContact CE2-CB 4.39Å; F267-M312 HydrophobicContact CE2-CG 4.09Å; F267-M312 HydrophobicContact CZ-CB 4.01Å; F267-M312 HydrophobicContact CZ-CG 3.91Å; C278-M312 HydrophobicContact CB-CE 4.26Å; C278-M312 HydrophobicContact CB-CG 4.46Å; I285-M312 HydrophobicContact CD1-CE 3.96Å; I285-M312 HydrophobicContact CG1-CE 4.35Å; Q309-M312 HydrophobicContact CB-CE 4.14Å; Q309-M312 VanDerWaalsContact OE1-CE 3.28Å; M312-F330 HydrophobicContact CG-CD1 3.45Å; M312-F330 VanDerWaalsContact CG-CD1 3.45Å; M312-F330 HydrophobicContact CG-CE1 3.89Å; M312-F330 HydrophobicContact SD-CB 3.81Å; M312-F330 HydrophobicContact SD-CD1 3.44Å; M312-F330 WeakPolarHBondContact SD-CD1 3.44Å; M312-F330 HydrophobicContact SD-CE1 4.32Å; M312-F330 HydrophobicContact SD-CG 4Å; M312-K332 HydrophobicContact CE-CB 3.8Å; M312-K332 HydrophobicContact CE-CD 4.24Å; M312-K332 HydrophobicContact CE-CG 3.71Å; M312-K332 HydrophobicContact SD-CB 3.82Å; M312-K332 HydrophobicContact SD-CG 4.38Å |
| 313 | G | 98.1 | Very high | 96 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 156 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | F330 Y331 | G313-F330 WeakPolarHBondContact O-CA 3.17Å; G313-Y331 PolarHBondContact N-O 2.82Å; G313-Y331 PolarHBondContact O-N 3.03Å |
| 314 | W | 97.6 | Very high | 95.8 | Very high | 52 Ų | 52 | 41.9 Ų | 41.9 | 20% | 0.197 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 125.3 | 179.9 | 168 | -85.9 | 0 | 0 | 0 | 110.2 | V37 F267 D269 Y276 P316 A328 F330 | V37-W314 WeakPolarHBondContact CG1-O 3.21Å; F267-W314 HydrophobicContact CB-CD2 4.34Å; F267-W314 HydrophobicContact CB-CE3 4.12Å; F267-W314 HydrophobicContact CB-CZ3 4.4Å; F267-W314 HydrophobicContact CD1-CB 3.63Å; F267-W314 HydrophobicContact CD1-CD2 4.4Å; F267-W314 HydrophobicContact CD1-CG 4.05Å; F267-W314 HydrophobicContact CE1-CB 3.89Å; F267-W314 HydrophobicContact CG-CE3 4.5Å; D269-W314 HydrophobicContact CB-CZ2 4.25Å; Y276-W314 AromaticContact CD2-CH2 3.58Å; Y276-W314 HydrophobicContact CD2-CH2 3.58Å; Y276-W314 AromaticContact CD2-CZ3 3.57Å; Y276-W314 HydrophobicContact CD2-CZ3 3.57Å; Y276-W314 AromaticContact CE2-CH2 3.38Å; Y276-W314 HydrophobicContact CE2-CH2 3.38Å; Y276-W314 AromaticContact CE2-CZ3 3.74Å; Y276-W314 HydrophobicContact CE2-CZ3 3.74Å; Y276-W314 HydrophobicContact CG-CH2 4.47Å; Y276-W314 HydrophobicContact CG-CZ3 4.04Å; W314-P316 WeakPolarHBondContact O-CD 3.48Å; W314-A328 HydrophobicContact CE3-CB 4.37Å; W314-A328 HydrophobicContact CH2-CB 3.16Å; W314-A328 HydrophobicContact CZ2-CB 3.9Å; W314-A328 HydrophobicContact CZ3-CB 3.43Å; W314-A328 VanDerWaalsContact CZ3-CB 3.43Å; W314-F330 AromaticContact CE3-CD1 3.94Å; W314-F330 HydrophobicContact CE3-CD1 3.94Å; W314-F330 HydrophobicContact CE3-CD2 4.02Å; W314-F330 AromaticContact CE3-CE1 3.46Å; W314-F330 HydrophobicContact CE3-CE1 3.46Å; W314-F330 VanDerWaalsContact CE3-CE1 3.46Å; W314-F330 AromaticContact CE3-CE2 3.56Å; W314-F330 HydrophobicContact CE3-CE2 3.56Å; W314-F330 HydrophobicContact CE3-CG 4.24Å; W314-F330 AromaticContact CE3-CZ 3.25Å; W314-F330 HydrophobicContact CE3-CZ 3.25Å; W314-F330 HydrophobicContact CZ3-CD2 4.06Å; W314-F330 HydrophobicContact CZ3-CE1 4Å; W314-F330 AromaticContact CZ3-CE2 3.31Å; W314-F330 HydrophobicContact CZ3-CE2 3.31Å; W314-F330 AromaticContact CZ3-CZ 3.28Å; W314-F330 HydrophobicContact CZ3-CZ 3.28Å |
| 315 | M | 98.4 | Very high | 95.8 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | trans | -73.9 | 125.2 | -179.2 | -177.3 | 55.5 | 77.3 | 0 | 0 | 111.7 | V37 I59 L320 R329 Y331 | V37-M315 HydrophobicContact CG1-CB 4.47Å; V37-M315 HydrophobicContact CG2-CE 3.47Å; V37-M315 VanDerWaalsContact CG2-CE 3.47Å; V37-M315 HydrophobicContact CG2-SD 4.26Å; I59-M315 HydrophobicContact CD1-CE 3.61Å; M315-L320 HydrophobicContact CB-CD2 3.97Å; M315-L320 HydrophobicContact CG-CD2 3.74Å; M315-L320 HydrophobicContact CG-CG 4.45Å; M315-R329 HydrophobicContact CB-CB 3.68Å; M315-R329 HydrophobicContact CG-CB 4.35Å; M315-R329 PolarHBondContact N-O 2.97Å; M315-Y331 HydrophobicContact CB-CE2 4.35Å; M315-Y331 HydrophobicContact CE-CE2 3.83Å; M315-Y331 VanDerWaalsContact CE-OH 3.32Å; M315-Y331 WeakPolarHBondContact CE-OH 3.49Å | ||
| 316 | P | 97.9 | Very high | 96 | Very high | 40 Ų | 40 | 37.1 Ų | 37.1 | 26% | 0.26 | 20% | 0.204 | S | C | . | . | trans | -58.8 | 152.7 | 167.5 | -23.5 | 34.5 | 0 | 0 | 0 | 111.8 | V37 W314 R318 G319 | V37-P316 WeakPolarHBondContact O-CD 3.19Å; W314-P316 WeakPolarHBondContact O-CD 3.48Å; P316-R318 PolarHBondContact O-N 2.76Å; P316-G319 PolarHBondContact O-N 2.91Å | ||
| 317 | K | 97.5 | Very high | 96.3 | Very high | 21 Ų | 21 | 32.3 Ų | 32.3 | 9% | 0.091 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -49.1 | -36.8 | -178.9 | -74.3 | -74.6 | -173.6 | -170.9 | 0 | 114.3 | D269 D271 G319 L320 I327 T361 L386 | D269-K317 VanDerWaalsContact CG-NZ 3.33Å; D269-K317 WeakPolarHBondContact OD1-CE 3.26Å; D269-K317 IonicContact OD1-NZ 2.65Å; D269-K317 PolarHBondContact OD1-NZ 3.01Å; D269-K317 WeakPolarHBondContact OD2-CE 3.36Å; D269-K317 IonicContact OD2-NZ 3.56Å; D269-K317 PolarHBondContact OD2-NZ 3.44Å; D271-K317 WeakPolarHBondContact OD2-CE 3.48Å; D271-K317 WeakPolarHBondContact OD2-CG 3.3Å; K317-G319 PolarHBondContact O-N 3.45Å; K317-G319 VanDerWaalsContact O-N 3.14Å; K317-L320 HydrophobicContact CD-CD1 3.78Å; K317-L320 PolarHBondContact O-N 3.47Å; K317-I327 PolarHBondContact NZ-O 3.47Å; K317-T361 HydrophobicContact CB-CG2 3.97Å; K317-T361 WeakPolarHBondContact CB-OG1 3.41Å; K317-T361 WeakPolarHBondContact CG-OG1 3.46Å; K317-L386 HydrophobicContact CB-CD1 4.29Å |
| 318 | R | 96.8 | Very high | 96.5 | Very high | 21 Ų | 21 | 30.6 Ų | 30.6 | 8% | 0.079 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -58.3 | -21 | 177.3 | -63.7 | -171.5 | -71.8 | 104.7 | -4.9 | 114.7 | P39 P86 D89 P316 I384 Y390 | P39-R318 HydrophobicContact CG-CB 3.6Å; P86-R318 PolarHBondContact O-NH2 2.9Å; D89-R318 VanDerWaalsContact CG-NH1 3.27Å; D89-R318 IonicContact OD1-CZ 2.83Å; D89-R318 IonicContact OD1-NH1 2.72Å; D89-R318 PolarHBondContact OD1-NH1 2.86Å; D89-R318 IonicContact OD1-NH2 3.87Å; D89-R318 PolarHBondContact OD1-NH2 3.29Å; D89-R318 IonicContact OD2-CZ 3.37Å; D89-R318 IonicContact OD2-NH1 2.91Å; D89-R318 PolarHBondContact OD2-NH1 2.84Å; P316-R318 PolarHBondContact O-N 2.76Å; R318-I384 HydrophobicContact CG-CD1 4.11Å; R318-Y390 HydrophobicContact CB-CD1 3.76Å; R318-Y390 HydrophobicContact CB-CD2 4.19Å; R318-Y390 HydrophobicContact CB-CE1 4Å; R318-Y390 HydrophobicContact CB-CE2 4.45Å; R318-Y390 HydrophobicContact CB-CG 3.86Å; R318-Y390 HydrophobicContact CG-CD2 4.12Å; R318-Y390 HydrophobicContact CG-CE2 4.23Å; R318-Y390 HydrophobicContact CG-CG 4.29Å; R318-Y390 VanDerWaalsContact NH1-CE1 3.29Å; R318-Y390 PolarHBondContact NH1-OH 2.83Å; R318-Y390 WeakPolarHBondContact O-CB 3.19Å; R318-Y390 WeakPolarHBondContact O-CD1 2.89Å |
| 319 | G | 96.4 | Very high | 96.7 | Very high | 17 Ų | 17 | 29.2 Ų | 29.2 | 18% | 0.175 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -109.4 | 10.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115 | P316 K317 | P316-G319 PolarHBondContact O-N 2.91Å; K317-G319 PolarHBondContact O-N 3.45Å; K317-G319 VanDerWaalsContact O-N 3.14Å |
| 320 | L | 96.9 | Very high | 96.8 | Very high | 18 Ų | 18 | 28.9 Ų | 28.9 | 9% | 0.094 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -86.1 | 151.9 | 178.1 | -57.8 | -179 | 0 | 0 | 0 | 112 | M315 K317 V322 E326 I327 R329 | M315-L320 HydrophobicContact CB-CD2 3.97Å; M315-L320 HydrophobicContact CG-CD2 3.74Å; M315-L320 HydrophobicContact CG-CG 4.45Å; K317-L320 HydrophobicContact CD-CD1 3.78Å; K317-L320 PolarHBondContact O-N 3.47Å; L320-V322 PolarHBondContact O-N 3.29Å; L320-E326 HydrophobicContact CD2-CG 4.21Å; L320-I327 VanDerWaalsContact CD1-O 3.25Å; L320-I327 WeakPolarHBondContact CD1-O 3.15Å; L320-R329 HydrophobicContact CD2-CB 3.89Å |
| 321 | D | 94.5 | Very high | 96.9 | Very high | 60 Ų | 60 | 26.9 Ų | 26.9 | 32% | 0.321 | 14% | 0.138 | S | C | . | . | trans | -85.7 | 91 | 172.7 | -171.1 | -13.1 | 0 | 0 | 0 | 110.7 | N323 Q324 E326 | D321-N323 PolarHBondContact O-N 2.98Å; D321-N323 WeakPolarHBondContact OD1-CB 3.34Å; D321-N323 PolarHBondContact OD1-N 3.47Å; D321-N323 VanDerWaalsContact OD1-N 3.09Å; D321-Q324 HydrophobicContact CB-CB 4.32Å; D321-Q324 HydrophobicContact CB-CG 4.46Å; D321-Q324 PolarHBondContact O-N 3.11Å; D321-Q324 PolarHBondContact OD1-N 2.63Å; D321-Q324 WeakPolarHBondContact OD2-CG 3.18Å; D321-E326 HydrophobicContact CB-CB 4.43Å; D321-E326 PolarHBondContact N-OE2 3.19Å; D321-E326 WeakPolarHBondContact O-CB 3.48Å; D321-E326 PolarHBondContact O-N 2.73Å | ||
| 322 | V | 94.4 | Very high | 96.9 | Very high | 16 Ų | 16 | 26.8 Ų | 26.8 | 10% | 0.097 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -63.6 | -25.8 | 179.4 | -60.5 | 0 | 0 | 0 | 0 | 113.1 | L320 Q324 N325 F353 Y358 L386 | L320-V322 PolarHBondContact O-N 3.29Å; V322-Q324 VanDerWaalsContact C-N 3.27Å; V322-Q324 PolarHBondContact O-N 3.05Å; V322-N325 PolarHBondContact O-N 2.73Å; V322-F353 HydrophobicContact CB-CD2 4.5Å; V322-F353 HydrophobicContact CB-CE2 4.2Å; V322-F353 HydrophobicContact CG1-CE2 4.47Å; V322-F353 HydrophobicContact CG2-CD2 4.41Å; V322-F353 HydrophobicContact CG2-CE2 4.32Å; V322-Y358 HydrophobicContact CB-CD2 4.3Å; V322-Y358 HydrophobicContact CB-CE1 4.39Å; V322-Y358 HydrophobicContact CB-CE2 3.96Å; V322-Y358 HydrophobicContact CG1-CD1 3.98Å; V322-Y358 HydrophobicContact CG1-CD2 4.36Å; V322-Y358 HydrophobicContact CG1-CE1 3.83Å; V322-Y358 HydrophobicContact CG1-CE2 4.23Å; V322-Y358 HydrophobicContact CG1-CG 4.24Å; V322-L386 HydrophobicContact CG1-CB 4Å; V322-L386 HydrophobicContact CG1-CD1 4.03Å |
| 323 | N | 92.3 | Very high | 96.9 | Very high | 124 Ų | 124 | 26.7 Ų | 26.7 | 66% | 0.663 | 14% | 0.136 | S | C | * | . | G | 310 helix | trans | -72.3 | -26.1 | 179.2 | -60 | -45.7 | 0 | 0 | 0 | 111.5 | D321 N325 | D321-N323 PolarHBondContact O-N 2.98Å; D321-N323 WeakPolarHBondContact OD1-CB 3.34Å; D321-N323 PolarHBondContact OD1-N 3.47Å; D321-N323 VanDerWaalsContact OD1-N 3.09Å; N323-N325 VanDerWaalsContact C-N 3.34Å |
| 324 | Q | 93.5 | Very high | 96.8 | Very high | 123 Ų | 123 | 27 Ų | 27 | 58% | 0.575 | 14% | 0.137 | S | C | * | . | G | 310 helix | trans | -93.8 | 9.6 | 175.9 | -63.6 | -60.2 | -39.2 | 0 | 0 | 113 | D321 V322 E326 T345 | D321-Q324 HydrophobicContact CB-CB 4.32Å; D321-Q324 HydrophobicContact CB-CG 4.46Å; D321-Q324 PolarHBondContact O-N 3.11Å; D321-Q324 PolarHBondContact OD1-N 2.63Å; D321-Q324 WeakPolarHBondContact OD2-CG 3.18Å; V322-Q324 VanDerWaalsContact C-N 3.27Å; V322-Q324 PolarHBondContact O-N 3.05Å; Q324-E326 PolarHBondContact O-N 2.92Å; Q324-T345 WeakPolarHBondContact O-CG2 3.4Å |
| 325 | N | 95.4 | Very high | 96.6 | Very high | 12 Ų | 12 | 28.7 Ų | 28.7 | 6% | 0.064 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 31.7 | -175 | -54.5 | -69.7 | 0 | 0 | 0 | 112.5 | V322 N323 I327 T345 V346 Q354 L357 Y358 | V322-N325 PolarHBondContact O-N 2.73Å; N323-N325 VanDerWaalsContact C-N 3.34Å; N325-I327 PolarHBondContact O-N 3.26Å; N325-T345 HydrophobicContact CB-CG2 4.34Å; N325-T345 WeakPolarHBondContact O-CA 3.39Å; N325-V346 WeakPolarHBondContact CB-O 3.45Å; N325-V346 PolarHBondContact O-N 3Å; N325-Q354 WeakPolarHBondContact OD1-CG 3.44Å; N325-L357 HydrophobicContact CB-CD1 4.27Å; N325-Y358 WeakPolarHBondContact CA-OH 3.39Å |
| 326 | E | 97.1 | Very high | 96.4 | Very high | 4 Ų | 4 | 36.6 Ų | 36.6 | 2% | 0.019 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 122.4 | 173.7 | -174.6 | -175.6 | -150.1 | 0 | 0 | 110 | L320 D321 Q324 A328 R329 P343 F344 Y358 | L320-E326 HydrophobicContact CD2-CG 4.21Å; D321-E326 HydrophobicContact CB-CB 4.43Å; D321-E326 PolarHBondContact N-OE2 3.19Å; D321-E326 WeakPolarHBondContact O-CB 3.48Å; D321-E326 PolarHBondContact O-N 2.73Å; Q324-E326 PolarHBondContact O-N 2.92Å; E326-A328 WeakPolarHBondContact CG-O 3.4Å; E326-R329 WeakPolarHBondContact OE1-CB 3.38Å; E326-R329 VanDerWaalsContact OE1-CG 3.26Å; E326-R329 WeakPolarHBondContact OE1-CG 3.49Å; E326-R329 IonicContact OE1-CZ 3.05Å; E326-R329 IonicContact OE1-NE 2.81Å; E326-R329 PolarHBondContact OE1-NE 3.04Å; E326-R329 IonicContact OE1-NH2 2.75Å; E326-R329 IonicContact OE2-CZ 3.27Å; E326-R329 IonicContact OE2-NE 3.45Å; E326-R329 PolarHBondContact OE2-NE 3.36Å; E326-R329 IonicContact OE2-NH2 2.74Å; E326-R329 PolarHBondContact OE2-NH2 2.66Å; E326-P343 HydrophobicContact CG-CB 4.17Å; E326-P343 WeakPolarHBondContact OE1-CA 3.47Å; E326-P343 WeakPolarHBondContact OE1-CB 3.34Å; E326-F344 CarbonylContact C-O 3.57Å; E326-F344 WeakPolarHBondContact CA-O 3.33Å; E326-Y358 VanDerWaalsContact C-OH 3.24Å; E326-Y358 PolarHBondContact N-OH 3.23Å; E326-Y358 WeakPolarHBondContact O-CE1 3.4Å; E326-Y358 PolarHBondContact O-OH 2.71Å |
| 327 | I | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | -15.4 | -178.3 | 59.6 | 167.2 | 0 | 0 | 0 | 113.1 | F6 V9 L274 K317 L320 N325 F344 V346 | F6-I327 HydrophobicContact CD1-CD1 4.21Å; F6-I327 HydrophobicContact CE1-CD1 4.42Å; V9-I327 HydrophobicContact CB-CD1 4.49Å; V9-I327 HydrophobicContact CG1-CD1 3.99Å; V9-I327 HydrophobicContact CG2-CD1 3.6Å; L274-I327 HydrophobicContact CD1-CD1 3.44Å; L274-I327 VanDerWaalsContact CD1-CD1 3.44Å; K317-I327 PolarHBondContact NZ-O 3.47Å; L320-I327 VanDerWaalsContact CD1-O 3.25Å; L320-I327 WeakPolarHBondContact CD1-O 3.15Å; N325-I327 PolarHBondContact O-N 3.26Å; I327-F344 HydrophobicContact CG1-CB 4.47Å; I327-F344 WeakPolarHBondContact CG1-O 3.46Å; I327-F344 PolarHBondContact N-O 3.24Å; I327-V346 HydrophobicContact CD1-CG2 3.86Å; I327-V346 HydrophobicContact CG1-CG2 4.31Å; I327-V346 HydrophobicContact CG2-CG2 3.68Å |
| 328 | A | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 151.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y276 W314 E326 F344 | Y276-A328 HydrophobicContact CE2-CB 4.32Å; W314-A328 HydrophobicContact CE3-CB 4.37Å; W314-A328 HydrophobicContact CH2-CB 3.16Å; W314-A328 HydrophobicContact CZ2-CB 3.9Å; W314-A328 HydrophobicContact CZ3-CB 3.43Å; W314-A328 VanDerWaalsContact CZ3-CB 3.43Å; E326-A328 WeakPolarHBondContact CG-O 3.4Å; A328-F344 HydrophobicContact CB-CB 4.04Å; A328-F344 PolarHBondContact O-N 2.83Å |
| 329 | R | 98.6 | Very high | 96.3 | Very high | 44 Ų | 44 | 34.8 Ų | 34.8 | 17% | 0.166 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 124.3 | 173.4 | -162.3 | -175.7 | -67.7 | 166.9 | 0.9 | 110.2 | M315 L320 E326 Y331 V341 I342 | M315-R329 HydrophobicContact CB-CB 3.68Å; M315-R329 HydrophobicContact CG-CB 4.35Å; M315-R329 PolarHBondContact N-O 2.97Å; L320-R329 HydrophobicContact CD2-CB 3.89Å; E326-R329 WeakPolarHBondContact OE1-CB 3.38Å; E326-R329 VanDerWaalsContact OE1-CG 3.26Å; E326-R329 WeakPolarHBondContact OE1-CG 3.49Å; E326-R329 IonicContact OE1-CZ 3.05Å; E326-R329 IonicContact OE1-NE 2.81Å; E326-R329 PolarHBondContact OE1-NE 3.04Å; E326-R329 IonicContact OE1-NH2 2.75Å; E326-R329 IonicContact OE2-CZ 3.27Å; E326-R329 IonicContact OE2-NE 3.45Å; E326-R329 PolarHBondContact OE2-NE 3.36Å; E326-R329 IonicContact OE2-NH2 2.74Å; E326-R329 PolarHBondContact OE2-NH2 2.66Å; R329-Y331 HydrophobicContact CG-CE2 4.04Å; R329-V341 HydrophobicContact CG-CG1 3.8Å; R329-I342 WeakPolarHBondContact CA-O 3.24Å |
| 330 | F | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 149.1 | 175.4 | -77 | -85 | 0 | 0 | 0 | 112.2 | F267 Y276 I285 M312 G313 W314 V341 I342 F344 | F267-F330 HydrophobicContact CB-CE1 4.39Å; F267-F330 HydrophobicContact CB-CZ 4.36Å; F267-F330 HydrophobicContact CD1-CE1 4.38Å; F267-F330 AromaticContact CD2-CE1 3.86Å; F267-F330 HydrophobicContact CD2-CE1 3.86Å; F267-F330 HydrophobicContact CD2-CZ 4.38Å; F267-F330 HydrophobicContact CE2-CE1 4.2Å; F267-F330 AromaticContact CG-CE1 3.96Å; F267-F330 HydrophobicContact CG-CE1 3.96Å; F267-F330 HydrophobicContact CG-CZ 4.4Å; Y276-F330 AromaticContact CD1-CE2 3.62Å; Y276-F330 HydrophobicContact CD1-CE2 3.62Å; Y276-F330 AromaticContact CD1-CZ 3.97Å; Y276-F330 HydrophobicContact CD1-CZ 3.97Å; Y276-F330 HydrophobicContact CD2-CZ 4.37Å; Y276-F330 HydrophobicContact CE1-CE2 4.17Å; Y276-F330 AromaticContact CG-CE2 3.83Å; Y276-F330 HydrophobicContact CG-CE2 3.83Å; Y276-F330 AromaticContact CG-CZ 3.71Å; Y276-F330 HydrophobicContact CG-CZ 3.71Å; I285-F330 HydrophobicContact CD1-CB 4.47Å; I285-F330 HydrophobicContact CD1-CD2 4.2Å; I285-F330 HydrophobicContact CD1-CE2 4.49Å; I285-F330 HydrophobicContact CD1-CG 4.17Å; I285-F330 HydrophobicContact CG2-CE2 4.25Å; I285-F330 HydrophobicContact CG2-CZ 4.33Å; M312-F330 HydrophobicContact CG-CD1 3.45Å; M312-F330 VanDerWaalsContact CG-CD1 3.45Å; M312-F330 HydrophobicContact CG-CE1 3.89Å; M312-F330 HydrophobicContact SD-CB 3.81Å; M312-F330 HydrophobicContact SD-CD1 3.44Å; M312-F330 WeakPolarHBondContact SD-CD1 3.44Å; M312-F330 HydrophobicContact SD-CE1 4.32Å; M312-F330 HydrophobicContact SD-CG 4Å; G313-F330 WeakPolarHBondContact O-CA 3.17Å; W314-F330 AromaticContact CE3-CD1 3.94Å; W314-F330 HydrophobicContact CE3-CD1 3.94Å; W314-F330 HydrophobicContact CE3-CD2 4.02Å; W314-F330 AromaticContact CE3-CE1 3.46Å; W314-F330 HydrophobicContact CE3-CE1 3.46Å; W314-F330 VanDerWaalsContact CE3-CE1 3.46Å; W314-F330 AromaticContact CE3-CE2 3.56Å; W314-F330 HydrophobicContact CE3-CE2 3.56Å; W314-F330 HydrophobicContact CE3-CG 4.24Å; W314-F330 AromaticContact CE3-CZ 3.25Å; W314-F330 HydrophobicContact CE3-CZ 3.25Å; W314-F330 HydrophobicContact CZ3-CD2 4.06Å; W314-F330 HydrophobicContact CZ3-CE1 4Å; W314-F330 AromaticContact CZ3-CE2 3.31Å; W314-F330 HydrophobicContact CZ3-CE2 3.31Å; W314-F330 AromaticContact CZ3-CZ 3.28Å; W314-F330 HydrophobicContact CZ3-CZ 3.28Å; F330-V341 CarbonylContact O-C 3.56Å; F330-V341 WeakPolarHBondContact O-CA 3.29Å; F330-I342 HydrophobicContact CB-CB 4.22Å; F330-I342 PolarHBondContact N-O 2.95Å; F330-I342 PolarHBondContact O-N 3.36Å; F330-F344 AromaticContact CD2-CD2 3.73Å; F330-F344 HydrophobicContact CD2-CD2 3.73Å; F330-F344 AromaticContact CD2-CE2 3.38Å; F330-F344 HydrophobicContact CD2-CE2 3.38Å; F330-F344 HydrophobicContact CD2-CZ 4.31Å; F330-F344 HydrophobicContact CE2-CD2 4.1Å; F330-F344 AromaticContact CE2-CE2 3.74Å; F330-F344 HydrophobicContact CE2-CE2 3.74Å; F330-F344 HydrophobicContact CE2-CZ 4.31Å; F330-F344 HydrophobicContact CG-CE2 4.49Å |
| 331 | Y | 98.4 | Very high | 96.4 | Very high | 3 Ų | 3 | 35 Ų | 35 | 1% | 0.012 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 88.3 | 173.7 | -73.3 | -106.4 | 0 | 0 | 0 | 107.5 | Y20 V37 L42 G313 M315 R329 V341 | Y20-Y331 HydrophobicContact CE2-CD1 4.09Å; Y20-Y331 AromaticContact CE2-CE1 3.77Å; Y20-Y331 HydrophobicContact CE2-CE1 3.77Å; V37-Y331 HydrophobicContact CB-CD2 4.26Å; V37-Y331 HydrophobicContact CB-CE2 4.37Å; V37-Y331 HydrophobicContact CG1-CD2 3.77Å; V37-Y331 HydrophobicContact CG1-CE2 4.03Å; V37-Y331 HydrophobicContact CG1-CG 4.43Å; V37-Y331 HydrophobicContact CG2-CD2 4.19Å; V37-Y331 HydrophobicContact CG2-CE1 4.3Å; V37-Y331 HydrophobicContact CG2-CE2 3.81Å; L42-Y331 HydrophobicContact CD1-CD1 3.65Å; L42-Y331 HydrophobicContact CD1-CE1 4.27Å; L42-Y331 HydrophobicContact CD1-CG 4.09Å; L42-Y331 HydrophobicContact CD2-CD1 3.89Å; L42-Y331 HydrophobicContact CD2-CE1 4.2Å; L42-Y331 HydrophobicContact CG-CD1 4.33Å; G313-Y331 PolarHBondContact N-O 2.82Å; G313-Y331 PolarHBondContact O-N 3.03Å; M315-Y331 HydrophobicContact CB-CE2 4.35Å; M315-Y331 HydrophobicContact CE-CE2 3.83Å; M315-Y331 VanDerWaalsContact CE-OH 3.32Å; M315-Y331 WeakPolarHBondContact CE-OH 3.49Å; R329-Y331 HydrophobicContact CG-CE2 4.04Å; Y331-V341 HydrophobicContact CD1-CG2 3.99Å; Y331-V341 HydrophobicContact CE1-CG2 3.84Å |
| 332 | K | 98.2 | Very high | 96.6 | Very high | 3 Ų | 3 | 32.2 Ų | 32.2 | 1% | 0.013 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 118.2 | -173.2 | 179.2 | -178.3 | 165.3 | -150 | 0 | 109.9 | S305 D307 Q309 M312 H334 C339 E340 I342 | S305-K332 PolarHBondContact OG-NZ 2.99Å; D307-K332 VanDerWaalsContact O-CE 3.22Å; D307-K332 WeakPolarHBondContact O-CE 3.35Å; D307-K332 PolarHBondContact O-NZ 2.99Å; Q309-K332 HydrophobicContact CB-CD 4.3Å; Q309-K332 HydrophobicContact CB-CG 3.91Å; M312-K332 HydrophobicContact CE-CB 3.8Å; M312-K332 HydrophobicContact CE-CD 4.24Å; M312-K332 HydrophobicContact CE-CG 3.71Å; M312-K332 HydrophobicContact SD-CB 3.82Å; M312-K332 HydrophobicContact SD-CG 4.38Å; K332-H334 PolarHBondContact O-CD2 3.08Å; K332-C339 CarbonylContact O-C 3.56Å; K332-C339 WeakPolarHBondContact O-CA 3.42Å; K332-E340 HydrophobicContact CB-CB 4.42Å; K332-E340 PolarHBondContact N-O 3.28Å; K332-E340 IonicContact NZ-OE2 3.74Å; K332-E340 PolarHBondContact NZ-OE2 3.49Å; K332-E340 PolarHBondContact O-N 2.96Å; K332-I342 HydrophobicContact CB-CD1 3.93Å; K332-I342 HydrophobicContact CD-CD1 3.94Å |
| 333 | L | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 132.7 | 176.2 | -61.3 | -172.7 | 0 | 0 | 0 | 110.6 | I25 F34 C35 I44 Q309 R310 G311 C339 | I25-L333 HydrophobicContact CD1-CB 4Å; I25-L333 HydrophobicContact CD1-CD2 4.04Å; I25-L333 HydrophobicContact CD1-CG 4.45Å; I25-L333 HydrophobicContact CG1-CD2 4.45Å; I25-L333 HydrophobicContact CG2-CB 4.45Å; I25-L333 HydrophobicContact CG2-CD1 4.03Å; F34-L333 HydrophobicContact CB-CD1 4.06Å; C35-L333 HydrophobicContact CB-CD1 3.74Å; C35-L333 HydrophobicContact CB-CD2 4.42Å; C35-L333 HydrophobicContact CB-CG 4Å; I44-L333 HydrophobicContact CD1-CD2 3.67Å; I44-L333 HydrophobicContact CG1-CD2 3.94Å; I44-L333 HydrophobicContact CG2-CD1 3.94Å; I44-L333 HydrophobicContact CG2-CD2 4.16Å; Q309-L333 CarbonylContact C-O 3.49Å; Q309-L333 WeakPolarHBondContact CA-O 3.4Å; R310-L333 HydrophobicContact CB-CB 4.29Å; R310-L333 WeakPolarHBondContact CB-O 3.44Å; R310-L333 PolarHBondContact N-O 3.29Å; G311-L333 PolarHBondContact O-N 3.24Å; L333-C339 HydrophobicContact CD2-CB 3.75Å |
| 334 | H | 95.7 | Very high | 97.1 | Very high | 7 Ų | 7 | 26.8 Ų | 26.8 | 3% | 0.032 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 149 | 175.5 | -67.1 | -150.4 | 0 | 0 | 0 | 109.6 | I25 D307 K332 K336 G337 L338 E340 | I25-H334 WeakPolarHBondContact CD1-O 3.43Å; D307-H334 VanDerWaalsContact CB-CE1 3.4Å; D307-H334 WeakPolarHBondContact CB-CE1 3.2Å; D307-H334 WeakPolarHBondContact CB-ND1 3.46Å; K332-H334 PolarHBondContact O-CD2 3.08Å; H334-K336 PolarHBondContact O-N 3.35Å; H334-G337 PolarHBondContact O-N 2.83Å; H334-L338 HydrophobicContact CB-CB 4.1Å; H334-L338 PolarHBondContact N-O 3.37Å; H334-E340 IonicContact CE1-OE2 3.16Å; H334-E340 PolarHBondContact CE1-OE2 2.57Å; H334-E340 WeakPolarHBondContact NE2-CB 3.37Å; H334-E340 IonicContact NE2-OE2 4Å; H334-E340 PolarHBondContact NE2-OE2 2.66Å |
| 335 | A | 93.5 | Very high | 97.3 | Very high | 88 Ų | 88 | 22.2 Ų | 22.2 | 73% | 0.727 | 12% | 0.123 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -19 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | G337 | A335-G337 VanDerWaalsContact C-N 3.28Å; A335-G337 PolarHBondContact O-N 2.88Å |
| 336 | K | 93.6 | Very high | 97.4 | Very high | 168 Ų | 168 | 21.9 Ų | 21.9 | 73% | 0.73 | 12% | 0.121 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | 6.2 | 179.8 | -61.7 | 172 | -174.6 | 157.7 | 0 | 114 | D307 H334 | D307-K336 IonicContact OD1-NZ 2.62Å; D307-K336 PolarHBondContact OD1-NZ 3.37Å; H334-K336 PolarHBondContact O-N 3.35Å |
| 337 | G | 95.7 | Very high | 97.4 | Very high | 8 Ų | 8 | 25 Ų | 25 | 8% | 0.082 | 14% | 0.141 | C | C | . | . | S | Bend | trans | 85.6 | 20.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | E21 D22 I23 H334 A335 | E21-G337 CarbonylContact C-O 3.51Å; D22-G337 PolarHBondContact N-O 3.17Å; I23-G337 PolarHBondContact N-O 3Å; I23-G337 WeakPolarHBondContact O-CA 3.36Å; H334-G337 PolarHBondContact O-N 2.83Å; A335-G337 VanDerWaalsContact C-N 3.28Å; A335-G337 PolarHBondContact O-N 2.88Å |
| 338 | L | 97.1 | Very high | 97.1 | Very high | 35 Ų | 35 | 29.8 Ų | 29.8 | 18% | 0.183 | 16% | 0.159 | C | C | . | . | trans | -101.4 | 132.3 | 173.9 | -179.8 | 71.4 | 0 | 0 | 0 | 109.8 | C19 Y20 E21 H334 E340 | C19-L338 HydrophobicContact CB-CD1 3.84Å; Y20-L338 WeakPolarHBondContact O-CA 3.45Å; E21-L338 HydrophobicContact CG-CD1 3.96Å; H334-L338 HydrophobicContact CB-CB 4.1Å; H334-L338 PolarHBondContact N-O 3.37Å; L338-E340 HydrophobicContact CD2-CB 4.25Å; L338-E340 HydrophobicContact CG-CB 4.42Å | ||
| 339 | C | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 102.1 | 160.7 | -176.5 | 0 | 0 | 0 | 0 | 108.4 | C19 Y20 I23 I44 K332 L333 | C19-C339 WeakPolarHBondContact CB-O 3.36Å; Y20-C339 HydrophobicContact CD2-CB 4.05Å; Y20-C339 PolarHBondContact N-O 3.45Å; Y20-C339 VanDerWaalsContact N-O 3.09Å; Y20-C339 PolarHBondContact O-N 3.28Å; I23-C339 HydrophobicContact CD1-CB 4.17Å; I44-C339 HydrophobicContact CD1-CB 3.9Å; K332-C339 CarbonylContact O-C 3.56Å; K332-C339 WeakPolarHBondContact O-CA 3.42Å; L333-C339 HydrophobicContact CD2-CB 3.75Å |
| 340 | E | 97.8 | Very high | 96.1 | Very high | 30 Ų | 30 | 40.1 Ų | 40.1 | 14% | 0.14 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 123.7 | -178.5 | 179.7 | 179.9 | -135.2 | 0 | 0 | 110.1 | P13 K332 H334 L338 I342 | P13-E340 HydrophobicContact CB-CG 4.22Å; P13-E340 WeakPolarHBondContact CB-OE1 3.46Å; K332-E340 HydrophobicContact CB-CB 4.42Å; K332-E340 PolarHBondContact N-O 3.28Å; K332-E340 IonicContact NZ-OE2 3.74Å; K332-E340 PolarHBondContact NZ-OE2 3.49Å; K332-E340 PolarHBondContact O-N 2.96Å; H334-E340 IonicContact CE1-OE2 3.16Å; H334-E340 PolarHBondContact CE1-OE2 2.57Å; H334-E340 WeakPolarHBondContact NE2-CB 3.37Å; H334-E340 IonicContact NE2-OE2 4Å; H334-E340 PolarHBondContact NE2-OE2 2.66Å; L338-E340 HydrophobicContact CD2-CB 4.25Å; L338-E340 HydrophobicContact CG-CB 4.42Å; E340-I342 HydrophobicContact CG-CD1 4.41Å; E340-I342 HydrophobicContact CG-CG1 4.06Å |
| 341 | V | 98 | Very high | 95.4 | Very high | 9 Ų | 9 | 49.6 Ų | 49.6 | 6% | 0.055 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 130.3 | 179.3 | -175.4 | 0 | 0 | 0 | 0 | 109.4 | C14 Y20 R329 F330 Y331 | C14-V341 HydrophobicContact CB-CB 4.17Å; C14-V341 WeakPolarHBondContact CB-O 3.13Å; C14-V341 PolarHBondContact N-O 3.44Å; Y20-V341 HydrophobicContact CD2-CG2 4.35Å; Y20-V341 HydrophobicContact CE2-CG2 3.86Å; R329-V341 HydrophobicContact CG-CG1 3.8Å; F330-V341 CarbonylContact O-C 3.56Å; F330-V341 WeakPolarHBondContact O-CA 3.29Å; Y331-V341 HydrophobicContact CD1-CG2 3.99Å; Y331-V341 HydrophobicContact CE1-CG2 3.84Å |
| 342 | I | 98.3 | Very high | 95 | Very high | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 90.9 | -173.9 | -49.7 | 175.3 | 0 | 0 | 0 | 109.7 | P13 I285 L303 R329 F330 K332 E340 F344 | P13-I342 HydrophobicContact CB-CG1 4.31Å; P13-I342 HydrophobicContact CG-CG1 4.3Å; P13-I342 HydrophobicContact CG-CG2 4.38Å; I285-I342 HydrophobicContact CD1-CD1 4.33Å; L303-I342 HydrophobicContact CD2-CD1 4.15Å; L303-I342 HydrophobicContact CD2-CG2 3.47Å; L303-I342 VanDerWaalsContact CD2-CG2 3.47Å; R329-I342 WeakPolarHBondContact CA-O 3.24Å; F330-I342 HydrophobicContact CB-CB 4.22Å; F330-I342 PolarHBondContact N-O 2.95Å; F330-I342 PolarHBondContact O-N 3.36Å; K332-I342 HydrophobicContact CB-CD1 3.93Å; K332-I342 HydrophobicContact CD-CD1 3.94Å; E340-I342 HydrophobicContact CG-CD1 4.41Å; E340-I342 HydrophobicContact CG-CG1 4.06Å; I342-F344 HydrophobicContact CG2-CD2 4.27Å; I342-F344 HydrophobicContact CG2-CE2 3.76Å |
| 343 | P | 98.2 | Very high | 94.8 | Very high | 26 Ų | 26 | 57.6 Ų | 57.6 | 17% | 0.169 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 141 | 167.9 | 27.5 | -37.3 | 0 | 0 | 0 | 111.6 | G11 K12 C14 E326 | G11-P343 CarbonylContact C-O 3.57Å; G11-P343 WeakPolarHBondContact CA-O 3.46Å; K12-P343 PolarHBondContact N-O 3.36Å; K12-P343 WeakPolarHBondContact O-CD 3.17Å; K12-P343 WeakPolarHBondContact O-CG 3.23Å; C14-P343 VanDerWaalsContact SG-CD 3.54Å; E326-P343 HydrophobicContact CG-CB 4.17Å; E326-P343 WeakPolarHBondContact OE1-CA 3.47Å; E326-P343 WeakPolarHBondContact OE1-CB 3.34Å |
| 344 | F | 98.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 124.7 | 169.9 | -80.4 | -104.9 | 0 | 0 | 0 | 109.3 | V9 F10 Y276 I285 Y287 L303 E326 I327 A328 F330 I342 | V9-F344 HydrophobicContact CG1-CB 4.36Å; V9-F344 HydrophobicContact CG1-CD1 4Å; F10-F344 WeakPolarHBondContact O-CA 3.4Å; Y276-F344 HydrophobicContact CD1-CE1 4.24Å; Y276-F344 HydrophobicContact CD1-CZ 4.39Å; Y276-F344 AromaticContact CE1-CD1 3.71Å; Y276-F344 HydrophobicContact CE1-CD1 3.71Å; Y276-F344 AromaticContact CE1-CE1 3.87Å; Y276-F344 HydrophobicContact CE1-CE1 3.87Å; Y276-F344 HydrophobicContact CE1-CG 4.05Å; Y276-F344 HydrophobicContact CE1-CZ 4.34Å; I285-F344 HydrophobicContact CB-CZ 4.37Å; I285-F344 HydrophobicContact CD1-CE2 4.39Å; I285-F344 HydrophobicContact CD1-CZ 4.38Å; I285-F344 HydrophobicContact CG2-CZ 4.03Å; Y287-F344 AromaticContact CD1-CE1 3.79Å; Y287-F344 HydrophobicContact CD1-CE1 3.79Å; Y287-F344 HydrophobicContact CE1-CD1 4.39Å; Y287-F344 AromaticContact CE1-CE1 3.55Å; Y287-F344 HydrophobicContact CE1-CE1 3.55Å; Y287-F344 HydrophobicContact CE1-CZ 4.43Å; Y287-F344 HydrophobicContact CG-CE1 4.46Å; Y287-F344 AromaticContact CZ-CE1 3.98Å; L303-F344 HydrophobicContact CB-CZ 4.25Å; L303-F344 HydrophobicContact CD2-CE2 4.43Å; L303-F344 HydrophobicContact CD2-CZ 4.08Å; E326-F344 CarbonylContact C-O 3.57Å; E326-F344 WeakPolarHBondContact CA-O 3.33Å; I327-F344 HydrophobicContact CG1-CB 4.47Å; I327-F344 WeakPolarHBondContact CG1-O 3.46Å; I327-F344 PolarHBondContact N-O 3.24Å; A328-F344 HydrophobicContact CB-CB 4.04Å; A328-F344 PolarHBondContact O-N 2.83Å; F330-F344 AromaticContact CD2-CD2 3.73Å; F330-F344 HydrophobicContact CD2-CD2 3.73Å; F330-F344 AromaticContact CD2-CE2 3.38Å; F330-F344 HydrophobicContact CD2-CE2 3.38Å; F330-F344 HydrophobicContact CD2-CZ 4.31Å; F330-F344 HydrophobicContact CE2-CD2 4.1Å; F330-F344 AromaticContact CE2-CE2 3.74Å; F330-F344 HydrophobicContact CE2-CE2 3.74Å; F330-F344 HydrophobicContact CE2-CZ 4.31Å; F330-F344 HydrophobicContact CG-CE2 4.49Å; I342-F344 HydrophobicContact CG2-CD2 4.27Å; I342-F344 HydrophobicContact CG2-CE2 3.76Å |
| 345 | T | 98.1 | Very high | 94.4 | Very high | 28 Ų | 28 | 62.9 Ų | 62.9 | 17% | 0.172 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 141.2 | -168.4 | -61.3 | 0 | 0 | 0 | 0 | 111.3 | V9 F10 Q324 N325 | V9-T345 WeakPolarHBondContact CA-O 3.33Å; F10-T345 HydrophobicContact CE1-CG2 4.34Å; F10-T345 HydrophobicContact CZ-CG2 4.21Å; F10-T345 PolarHBondContact N-O 3.44Å; F10-T345 PolarHBondContact O-N 3.18Å; Q324-T345 WeakPolarHBondContact O-CG2 3.4Å; N325-T345 HydrophobicContact CB-CG2 4.34Å; N325-T345 WeakPolarHBondContact O-CA 3.39Å |
| 346 | V | 97.5 | Very high | 94.4 | Very high | 4 Ų | 4 | 61.9 Ų | 61.9 | 2% | 0.024 | 31% | 0.306 | C | S | . | . | trans | -89.1 | 119.4 | 164.3 | -176.9 | 0 | 0 | 0 | 0 | 108.2 | F6 V9 N325 I327 R348 L357 | F6-V346 HydrophobicContact CD1-CG2 4.06Å; F6-V346 HydrophobicContact CE1-CG2 4.37Å; V9-V346 HydrophobicContact CG2-CG2 3.72Å; N325-V346 WeakPolarHBondContact CB-O 3.45Å; N325-V346 PolarHBondContact O-N 3Å; I327-V346 HydrophobicContact CD1-CG2 3.86Å; I327-V346 HydrophobicContact CG1-CG2 4.31Å; I327-V346 HydrophobicContact CG2-CG2 3.68Å; V346-R348 HydrophobicContact CG1-CG 4.08Å; V346-R348 PolarHBondContact O-N 2.59Å; V346-L357 HydrophobicContact CB-CD1 3.79Å; V346-L357 HydrophobicContact CB-CD2 4.48Å; V346-L357 HydrophobicContact CG1-CD1 4.05Å; V346-L357 HydrophobicContact CG1-CD2 4.29Å; V346-L357 HydrophobicContact CG2-CD1 4.01Å; V346-L357 HydrophobicContact CG2-CD2 4.07Å | ||
| 347 | P | 95.9 | Very high | 94.5 | Very high | 70 Ų | 70 | 53.9 Ų | 53.9 | 46% | 0.455 | 27% | 0.271 | S | S | . | . | trans | -71.8 | 86.7 | -178.1 | 27 | -32.5 | 0 | 0 | 0 | 111.5 | H8 F10 | H8-P347 HydrophobicContact CB-CG 3.78Å; H8-P347 WeakPolarHBondContact O-CD 3.37Å; H8-P347 WeakPolarHBondContact O-CG 3.36Å; F10-P347 HydrophobicContact CD1-CG 4.46Å; F10-P347 HydrophobicContact CE1-CB 4.02Å; F10-P347 HydrophobicContact CE1-CG 4.25Å | ||
| 348 | R | 93.5 | Very high | 94.5 | Very high | 100 Ų | 100 | 53.7 Ų | 53.7 | 38% | 0.377 | 27% | 0.268 | S | S | . | . | trans | -102.7 | 151.4 | 168.7 | -59.1 | -65.5 | -165.8 | 150.4 | 8.2 | 109.8 | V346 Q354 D356 L357 | V346-R348 HydrophobicContact CG1-CG 4.08Å; V346-R348 PolarHBondContact O-N 2.59Å; R348-Q354 HydrophobicContact CG-CG 4.35Å; R348-D356 IonicContact CZ-OD2 2.72Å; R348-D356 IonicContact NH2-OD1 2.74Å; R348-D356 IonicContact NH2-OD2 3.34Å; R348-D356 PolarHBondContact NH2-OD2 2.82Å; R348-L357 HydrophobicContact CG-CD1 4.16Å | ||
| 349 | K | 88.2 | Confident | 94.5 | Very high | 220 Ų | 220 | 54.3 Ų | 54.3 | 96% | 0.957 | 27% | 0.274 | S | S | * | . | trans | -101.2 | 5.8 | 177.7 | -64.2 | -174.7 | 178.1 | -178.1 | 0 | 113.2 | ||||
| 350 | S | 87.8 | Confident | 94.4 | Very high | 42 Ų | 42 | 58.6 Ų | 58.6 | 29% | 0.294 | 30% | 0.297 | S | S | . | . | trans | -94 | 137.3 | -174.8 | 174.8 | 0 | 0 | 0 | 0 | 110.1 | L352 Q354 | S350-L352 WeakPolarHBondContact OG-CB 3.38Å; S350-L352 PolarHBondContact OG-N 2.81Å; S350-L352 VanDerWaalsContact OG-N 3.07Å; S350-Q354 PolarHBondContact OG-NE2 2.85Å | ||
| 351 | E | 83.1 | Confident | 94.4 | Very high | 199 Ų | 199 | 57.4 Ų | 57.4 | 93% | 0.93 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -83.7 | -15.8 | 169 | -62.5 | 180 | 177.7 | 0 | 0 | 112 | ||
| 352 | L | 90.7 | Very high | 94.3 | Very high | 135 Ų | 135 | 59.4 Ų | 59.4 | 71% | 0.707 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -70.1 | 147.2 | 175 | -55.8 | 175.9 | 0 | 0 | 0 | 110.6 | S350 Q354 | S350-L352 WeakPolarHBondContact OG-CB 3.38Å; S350-L352 PolarHBondContact OG-N 2.81Å; S350-L352 VanDerWaalsContact OG-N 3.07Å; L352-Q354 PolarHBondContact O-N 2.86Å; L352-Q354 PolarHBondContact O-NE2 2.9Å |
| 353 | F | 92.4 | Very high | 94.2 | Very high | 39 Ų | 39 | 59.4 Ų | 59.4 | 17% | 0.171 | 30% | 0.303 | C | S | . | . | trans | -53.9 | 135.1 | 170.2 | -177.4 | -101.5 | 0 | 0 | 0 | 111.2 | V322 D355 Y358 L386 K387 | V322-F353 HydrophobicContact CB-CD2 4.5Å; V322-F353 HydrophobicContact CB-CE2 4.2Å; V322-F353 HydrophobicContact CG1-CE2 4.47Å; V322-F353 HydrophobicContact CG2-CD2 4.41Å; V322-F353 HydrophobicContact CG2-CE2 4.32Å; F353-D355 HydrophobicContact CD1-CB 4.48Å; F353-D355 VanDerWaalsContact CD1-OD1 3.25Å; F353-D355 WeakPolarHBondContact CD1-OD1 3.43Å; F353-D355 HydrophobicContact CE1-CB 4.42Å; F353-D355 VanDerWaalsContact CE1-OD1 3.31Å; F353-D355 WeakPolarHBondContact CE1-OD1 3.25Å; F353-D355 PolarHBondContact O-N 2.92Å; F353-Y358 HydrophobicContact CD2-CD2 4.46Å; F353-Y358 AromaticContact CE2-CD2 3.87Å; F353-Y358 HydrophobicContact CE2-CD2 3.87Å; F353-Y358 HydrophobicContact CE2-CG 4.15Å; F353-Y358 VanDerWaalsContact CZ-CB 3.43Å; F353-Y358 HydrophobicContact CZ-CD2 4.12Å; F353-Y358 HydrophobicContact CZ-CG 4.12Å; F353-L386 HydrophobicContact CE2-CB 4.43Å; F353-L386 HydrophobicContact CZ-CB 4.5Å; F353-K387 HydrophobicContact CB-CG 4.38Å; F353-K387 HydrophobicContact CD1-CB 4.1Å; F353-K387 HydrophobicContact CD1-CD 4.07Å; F353-K387 HydrophobicContact CD1-CG 3.84Å; F353-K387 HydrophobicContact CD2-CB 4.43Å; F353-K387 HydrophobicContact CD2-CG 4.44Å; F353-K387 HydrophobicContact CE1-CB 3.9Å; F353-K387 HydrophobicContact CE1-CD 4.39Å; F353-K387 HydrophobicContact CE1-CG 4.16Å; F353-K387 HydrophobicContact CE2-CB 4.27Å; F353-K387 HydrophobicContact CG-CB 4.34Å; F353-K387 HydrophobicContact CG-CG 3.97Å; F353-K387 HydrophobicContact CZ-CB 3.97Å | ||
| 354 | Q | 93.2 | Very high | 94 | Very high | 23 Ų | 23 | 58.9 Ų | 58.9 | 11% | 0.107 | 30% | 0.298 | C | S | . | . | trans | -98.1 | 85.4 | -177.2 | -58.3 | -61.8 | -80.4 | 0 | 0 | 110.1 | N325 R348 S350 L352 D356 L357 Y358 | N325-Q354 WeakPolarHBondContact OD1-CG 3.44Å; R348-Q354 HydrophobicContact CG-CG 4.35Å; S350-Q354 PolarHBondContact OG-NE2 2.85Å; L352-Q354 PolarHBondContact O-N 2.86Å; L352-Q354 PolarHBondContact O-NE2 2.9Å; Q354-D356 PolarHBondContact O-N 2.9Å; Q354-D356 VanDerWaalsContact O-N 3.08Å; Q354-L357 HydrophobicContact CB-CB 4.03Å; Q354-L357 HydrophobicContact CB-CD1 3.87Å; Q354-L357 HydrophobicContact CB-CG 3.85Å; Q354-L357 HydrophobicContact CG-CD1 4.11Å; Q354-L357 PolarHBondContact O-N 3.12Å; Q354-Y358 HydrophobicContact CB-CD2 4.42Å; Q354-Y358 WeakPolarHBondContact O-CD2 3.18Å; Q354-Y358 PolarHBondContact O-N 2.89Å | ||
| 355 | D | 93.1 | Very high | 93.9 | Very high | 95 Ų | 95 | 62.3 Ų | 62.3 | 51% | 0.508 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -28 | -178.5 | -60.5 | -71 | 0 | 0 | 0 | 112.3 | F353 Y358 K387 | F353-D355 HydrophobicContact CD1-CB 4.48Å; F353-D355 VanDerWaalsContact CD1-OD1 3.25Å; F353-D355 WeakPolarHBondContact CD1-OD1 3.43Å; F353-D355 HydrophobicContact CE1-CB 4.42Å; F353-D355 VanDerWaalsContact CE1-OD1 3.31Å; F353-D355 WeakPolarHBondContact CE1-OD1 3.25Å; F353-D355 PolarHBondContact O-N 2.92Å; D355-Y358 CarbonylContact O-C 3.56Å; D355-K387 IonicContact OD1-NZ 3.99Å; D355-K387 IonicContact OD2-NZ 2.66Å |
| 356 | D | 93.9 | Very high | 93.9 | Very high | 66 Ų | 66 | 61.8 Ų | 61.8 | 35% | 0.353 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -25.9 | 176.6 | 74 | -60.7 | 0 | 0 | 0 | 113.6 | K5 R348 Q354 | K5-D356 PolarHBondContact NZ-O 3.3Å; R348-D356 IonicContact CZ-OD2 2.72Å; R348-D356 IonicContact NH2-OD1 2.74Å; R348-D356 IonicContact NH2-OD2 3.34Å; R348-D356 PolarHBondContact NH2-OD2 2.82Å; Q354-D356 PolarHBondContact O-N 2.9Å; Q354-D356 VanDerWaalsContact O-N 3.08Å |
| 357 | L | 95.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -25.8 | 177.4 | -61 | -174.1 | 0 | 0 | 0 | 112.4 | K5 F6 N325 V346 R348 Q354 P359 | K5-L357 HydrophobicContact CD-CD2 4.36Å; F6-L357 HydrophobicContact CE1-CD2 3.94Å; N325-L357 HydrophobicContact CB-CD1 4.27Å; V346-L357 HydrophobicContact CB-CD1 3.79Å; V346-L357 HydrophobicContact CB-CD2 4.48Å; V346-L357 HydrophobicContact CG1-CD1 4.05Å; V346-L357 HydrophobicContact CG1-CD2 4.29Å; V346-L357 HydrophobicContact CG2-CD1 4.01Å; V346-L357 HydrophobicContact CG2-CD2 4.07Å; R348-L357 HydrophobicContact CG-CD1 4.16Å; Q354-L357 HydrophobicContact CB-CB 4.03Å; Q354-L357 HydrophobicContact CB-CD1 3.87Å; Q354-L357 HydrophobicContact CB-CG 3.85Å; Q354-L357 HydrophobicContact CG-CD1 4.11Å; Q354-L357 PolarHBondContact O-N 3.12Å; L357-P359 WeakPolarHBondContact O-CD 3.3Å |
| 358 | Y | 96.3 | Very high | 94 | Very high | 5 Ų | 5 | 60.4 Ų | 60.4 | 2% | 0.02 | 30% | 0.303 | C | S | . | . | trans | -127.7 | 70.4 | -173.4 | -55.9 | -67.9 | 0 | 0 | 0 | 110.4 | V322 N325 E326 F353 Q354 D355 L386 | V322-Y358 HydrophobicContact CB-CD2 4.3Å; V322-Y358 HydrophobicContact CB-CE1 4.39Å; V322-Y358 HydrophobicContact CB-CE2 3.96Å; V322-Y358 HydrophobicContact CG1-CD1 3.98Å; V322-Y358 HydrophobicContact CG1-CD2 4.36Å; V322-Y358 HydrophobicContact CG1-CE1 3.83Å; V322-Y358 HydrophobicContact CG1-CE2 4.23Å; V322-Y358 HydrophobicContact CG1-CG 4.24Å; N325-Y358 WeakPolarHBondContact CA-OH 3.39Å; E326-Y358 VanDerWaalsContact C-OH 3.24Å; E326-Y358 PolarHBondContact N-OH 3.23Å; E326-Y358 WeakPolarHBondContact O-CE1 3.4Å; E326-Y358 PolarHBondContact O-OH 2.71Å; F353-Y358 HydrophobicContact CD2-CD2 4.46Å; F353-Y358 AromaticContact CE2-CD2 3.87Å; F353-Y358 HydrophobicContact CE2-CD2 3.87Å; F353-Y358 HydrophobicContact CE2-CG 4.15Å; F353-Y358 VanDerWaalsContact CZ-CB 3.43Å; F353-Y358 HydrophobicContact CZ-CD2 4.12Å; F353-Y358 HydrophobicContact CZ-CG 4.12Å; Q354-Y358 HydrophobicContact CB-CD2 4.42Å; Q354-Y358 WeakPolarHBondContact O-CD2 3.18Å; Q354-Y358 PolarHBondContact O-N 2.89Å; D355-Y358 CarbonylContact O-C 3.56Å; Y358-L386 HydrophobicContact CD1-CD1 4.25Å | ||
| 359 | P | 96.7 | Very high | 94.2 | Very high | 48 Ų | 48 | 58.4 Ų | 58.4 | 31% | 0.312 | 30% | 0.302 | S | S | . | . | trans | -60.9 | 166.8 | 165.7 | 32.1 | -36.4 | 0 | 0 | 0 | 109.7 | D271 L357 T361 | D271-P359 HydrophobicContact CB-CG 3.8Å; L357-P359 WeakPolarHBondContact O-CD 3.3Å; P359-T361 PolarHBondContact O-N 2.86Å | ||
| 360 | D | 96.8 | Very high | 94.5 | Very high | 90 Ų | 90 | 48.3 Ų | 48.3 | 48% | 0.481 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -54.6 | 128.2 | 173.1 | -65.5 | -19.4 | 0 | 0 | 0 | 110 | L383 I384 S385 | D360-L383 HydrophobicContact CB-CB 3.89Å; D360-L383 HydrophobicContact CB-CD1 4.26Å; D360-I384 CarbonylContact C-O 3.55Å; D360-I384 WeakPolarHBondContact CA-O 3.45Å; D360-S385 WeakPolarHBondContact OD1-CB 3.4Å |
| 361 | T | 97.1 | Very high | 94.9 | Very high | 4 Ų | 4 | 51.6 Ų | 51.6 | 3% | 0.025 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 165.5 | -168.3 | -166.8 | 0 | 0 | 0 | 0 | 111.2 | D271 K317 P359 G363 L383 I384 L386 | D271-T361 WeakPolarHBondContact OD2-CB 3.39Å; D271-T361 PolarHBondContact OD2-OG1 3.3Å; K317-T361 HydrophobicContact CB-CG2 3.97Å; K317-T361 WeakPolarHBondContact CB-OG1 3.41Å; K317-T361 WeakPolarHBondContact CG-OG1 3.46Å; P359-T361 PolarHBondContact O-N 2.86Å; T361-G363 PolarHBondContact O-N 3.02Å; T361-L383 CarbonylContact O-C 3.58Å; T361-L383 WeakPolarHBondContact O-CA 3.46Å; T361-I384 HydrophobicContact CG2-CG1 4.14Å; T361-I384 PolarHBondContact N-O 3.25Å; T361-I384 PolarHBondContact O-N 3.28Å; T361-L386 HydrophobicContact CG2-CD1 4.05Å; T361-L386 HydrophobicContact CG2-CD2 3.89Å; T361-L386 HydrophobicContact CG2-CG 3.8Å |
| 362 | I | 96.4 | Very high | 95.6 | Very high | 51 Ų | 51 | 45.2 Ų | 45.2 | 26% | 0.262 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 121.8 | 179.2 | -58.9 | 175.5 | 0 | 0 | 0 | 110.6 | Y180 P381 L383 | Y180-I362 HydrophobicContact CD2-CD1 4.47Å; Y180-I362 HydrophobicContact CE2-CD1 3.8Å; Y180-I362 HydrophobicContact CE2-CG1 4.25Å; I362-P381 HydrophobicContact CB-CB 4.34Å; I362-P381 HydrophobicContact CD1-CB 4.39Å; I362-P381 HydrophobicContact CD1-CG 4.07Å; I362-P381 HydrophobicContact CG1-CB 3.97Å; I362-P381 HydrophobicContact CG1-CG 4.13Å; I362-P381 HydrophobicContact CG2-CB 3.76Å; I362-P381 HydrophobicContact CG2-CG 4.45Å; I362-L383 HydrophobicContact CG1-CD2 4.39Å |
| 363 | G | 95.5 | Very high | 95.9 | Very high | 3 Ų | 3 | 38.8 Ų | 38.8 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | trans | -79.9 | -170.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | T361 I382 | T361-G363 PolarHBondContact O-N 3.02Å; G363-I382 PolarHBondContact N-O 2.89Å | ||
| 364 | D | 94.5 | Very high | 96.2 | Very high | 14 Ų | 14 | 39.5 Ų | 39.5 | 8% | 0.075 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -99.7 | 5.4 | 176.4 | 61 | -5.4 | 0 | 0 | 0 | 113.1 | H87 Y390 | H87-D364 CarbonylContact C-O 3.51Å; H87-D364 WeakPolarHBondContact CA-O 3Å; H87-D364 WeakPolarHBondContact CB-O 3.35Å; D364-Y390 PolarHBondContact OD2-OH 2.89Å |
| 365 | M | 96 | Very high | 96.4 | Very high | 72 Ų | 72 | 42.7 Ų | 42.7 | 36% | 0.355 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -99.5 | 129.5 | 179.3 | -69.3 | -60 | -58.7 | 0 | 0 | 110.2 | I382 | M365-I382 HydrophobicContact CB-CD1 4Š|
| 366 | P | 97.6 | Very high | 96.5 | Very high | 18 Ų | 18 | 40 Ų | 40 | 12% | 0.117 | 24% | 0.235 | C | C | . | . | trans | -69.6 | 143.7 | 173.5 | 30.9 | -32.3 | 0 | 0 | 0 | 109.8 | H87 T139 E141 I382 | H87-P366 HydrophobicContact CB-CB 4.48Å; T139-P366 CarbonylContact O-C 3.47Å; T139-P366 WeakPolarHBondContact O-CA 3.45Å; T139-P366 WeakPolarHBondContact O-CB 3.45Å; E141-P366 HydrophobicContact CB-CB 3.71Å; E141-P366 HydrophobicContact CB-CG 3.68Å; E141-P366 HydrophobicContact CG-CB 4.29Å; E141-P366 HydrophobicContact CG-CG 3.83Å; P366-I382 WeakPolarHBondContact O-CD1 3.4Å | ||
| 367 | S | 98.1 | Very high | 96.7 | Very high | 29 Ų | 29 | 41.7 Ų | 41.7 | 20% | 0.203 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -81.8 | -23.6 | 175.5 | -49 | 0 | 0 | 0 | 0 | 112.4 | T139 D380 P381 I382 | T139-S367 PolarHBondContact O-N 3.11Å; S367-D380 WeakPolarHBondContact CB-O 3.29Å; S367-D380 PolarHBondContact OG-O 3.35Å; S367-P381 WeakPolarHBondContact OG-CA 3.5Å; S367-I382 PolarHBondContact OG-N 3.29Å |
| 368 | L | 98.3 | Very high | 96.9 | Very high | 15 Ų | 15 | 45.7 Ų | 45.7 | 8% | 0.079 | 26% | 0.26 | C | S | . | . | B | Isolated β-bridge | trans | -138.7 | 151.8 | -176.4 | -63.6 | 171.3 | 0 | 0 | 0 | 110.6 | T139 A140 E141 E372 W373 K377 A379 | T139-L368 PolarHBondContact O-N 3.14Å; T139-L368 VanDerWaalsContact O-N 3.15Å; A140-L368 CarbonylContact C-O 3.56Å; A140-L368 WeakPolarHBondContact CA-O 3.48Å; E141-L368 PolarHBondContact N-O 2.77Å; L368-E372 HydrophobicContact CB-CB 4.43Å; L368-E372 HydrophobicContact CD2-CB 4.22Å; L368-W373 HydrophobicContact CB-CB 4.42Å; L368-W373 HydrophobicContact CD1-CB 4.2Å; L368-K377 HydrophobicContact CD1-CB 4.27Å; L368-K377 WeakPolarHBondContact CD1-O 3.17Å; L368-K377 HydrophobicContact CD2-CB 4.02Å; L368-K377 HydrophobicContact CD2-CD 4.34Å; L368-A379 HydrophobicContact CD1-CB 3.95Å; L368-A379 HydrophobicContact CD2-CB 3.99Å; L368-A379 HydrophobicContact CG-CB 3.8Å |
| 369 | T | 96.9 | Very high | 97 | Very high | 58 Ų | 58 | 46.8 Ų | 46.8 | 36% | 0.356 | 27% | 0.27 | S | S | . | . | trans | -74.7 | 162 | 160.3 | 60.7 | 0 | 0 | 0 | 0 | 110.9 | D371 E372 W373 | T369-D371 VanDerWaalsContact C-N 3.28Å; T369-D371 PolarHBondContact O-N 2.95Å; T369-E372 PolarHBondContact N-OE2 2.94Å; T369-E372 PolarHBondContact O-N 3.32Å; T369-E372 WeakPolarHBondContact OG1-CB 3.23Å; T369-E372 WeakPolarHBondContact OG1-CG 3.47Å; T369-E372 PolarHBondContact OG1-N 2.94Å; T369-E372 PolarHBondContact OG1-OE2 2.88Å; T369-W373 PolarHBondContact O-N 3.16Å; T369-W373 VanDerWaalsContact O-N 3.08Å | ||
| 370 | A | 95.3 | Very high | 97 | Very high | 8 Ų | 8 | 49.2 Ų | 49.2 | 7% | 0.066 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -55.6 | -42.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V143 N157 W373 M374 | V143-A370 HydrophobicContact CG2-CB 3.74Å; N157-A370 HydrophobicContact CB-CB 4.49Å; A370-W373 PolarHBondContact O-N 2.99Å; A370-M374 WeakPolarHBondContact O-CB 3.31Å; A370-M374 WeakPolarHBondContact O-CG 3.25Å; A370-M374 PolarHBondContact O-N 2.85Å |
| 371 | D | 95.1 | Very high | 97.1 | Very high | 112 Ų | 112 | 45.4 Ų | 45.4 | 60% | 0.599 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -68.9 | -41.9 | -178 | -66.9 | -22.2 | 0 | 0 | 0 | 112 | T369 W373 M374 S375 | T369-D371 VanDerWaalsContact C-N 3.28Å; T369-D371 PolarHBondContact O-N 2.95Å; D371-W373 VanDerWaalsContact C-N 3.35Å; D371-W373 PolarHBondContact O-N 3.16Å; D371-M374 PolarHBondContact O-N 3.15Å; D371-S375 WeakPolarHBondContact O-CB 3.46Å; D371-S375 PolarHBondContact O-N 2.83Å |
| 372 | E | 97.9 | Very high | 97.1 | Very high | 64 Ų | 64 | 49 Ų | 49 | 30% | 0.299 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.1 | -44.1 | 175.4 | -76.4 | 177.3 | 122.3 | 0 | 0 | 111.9 | L368 T369 S375 G376 K377 | L368-E372 HydrophobicContact CB-CB 4.43Å; L368-E372 HydrophobicContact CD2-CB 4.22Å; T369-E372 PolarHBondContact N-OE2 2.94Å; T369-E372 PolarHBondContact O-N 3.32Å; T369-E372 WeakPolarHBondContact OG1-CB 3.23Å; T369-E372 WeakPolarHBondContact OG1-CG 3.47Å; T369-E372 PolarHBondContact OG1-N 2.94Å; T369-E372 PolarHBondContact OG1-OE2 2.88Å; E372-S375 PolarHBondContact O-N 2.87Å; E372-S375 PolarHBondContact O-OG 3.4Å; E372-G376 PolarHBondContact O-N 2.88Å; E372-K377 HydrophobicContact CB-CD 4.07Å; E372-K377 HydrophobicContact CG-CD 4.28Å; E372-K377 WeakPolarHBondContact O-CB 3.3Å; E372-K377 PolarHBondContact O-N 3.36Å; E372-K377 VanDerWaalsContact O-N 3.14Å; E372-K377 IonicContact OE1-NZ 3.58Å; E372-K377 PolarHBondContact OE1-NZ 3Å |
| 373 | W | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63 | -45.2 | 175.4 | 178.7 | 80.7 | 0 | 0 | 0 | 111 | H137 A140 V143 I155 G182 P199 R200 L368 T369 A370 D371 S375 G376 | H137-W373 AromaticContact CD2-CE2 3.73Å; H137-W373 AromaticContact CD2-CZ2 3.75Å; H137-W373 AromaticContact CD2-NE1 3.93Å; H137-W373 AromaticContact CE1-CD1 3.8Å; H137-W373 AromaticContact CE1-NE1 3.64Å; H137-W373 AromaticContact NE2-CD1 3.59Å; H137-W373 AromaticContact NE2-CE2 3.26Å; H137-W373 VanDerWaalsContact NE2-CE2 3.26Å; H137-W373 AromaticContact NE2-CZ2 3.61Å; H137-W373 AromaticContact NE2-NE1 2.99Å; H137-W373 PolarHBondContact NE2-NE1 2.95Å; A140-W373 HydrophobicContact CB-CB 3.66Å; A140-W373 HydrophobicContact CB-CD2 4.3Å; A140-W373 HydrophobicContact CB-CG 3.77Å; V143-W373 HydrophobicContact CG1-CE3 4.17Å; V143-W373 HydrophobicContact CG1-CH2 4.26Å; V143-W373 HydrophobicContact CG1-CZ3 3.84Å; V143-W373 HydrophobicContact CG2-CE3 4.08Å; I155-W373 HydrophobicContact CG2-CH2 3.98Å; I155-W373 HydrophobicContact CG2-CZ3 3.89Å; G182-W373 PolarHBondContact O-NE1 2.67Å; G182-W373 VanDerWaalsContact O-NE1 3.16Å; P199-W373 HydrophobicContact CB-CH2 4.16Å; P199-W373 HydrophobicContact CB-CZ2 4.19Å; P199-W373 HydrophobicContact CG-CH2 4.21Å; P199-W373 HydrophobicContact CG-CZ2 3.75Å; R200-W373 WeakPolarHBondContact CD-O 3.33Å; R200-W373 HydrophobicContact CG-CD2 4.46Å; R200-W373 HydrophobicContact CG-CE3 4.5Å; R200-W373 HydrophobicContact CG-CH2 3.86Å; R200-W373 HydrophobicContact CG-CZ2 3.8Å; R200-W373 HydrophobicContact CG-CZ3 4.22Å; R200-W373 VanDerWaalsContact CZ-O 3.31Å; R200-W373 PolarHBondContact NE-O 2.85Å; R200-W373 PolarHBondContact NH2-O 3.16Å; L368-W373 HydrophobicContact CB-CB 4.42Å; L368-W373 HydrophobicContact CD1-CB 4.2Å; T369-W373 PolarHBondContact O-N 3.16Å; T369-W373 VanDerWaalsContact O-N 3.08Å; A370-W373 PolarHBondContact O-N 2.99Å; D371-W373 VanDerWaalsContact C-N 3.35Å; D371-W373 PolarHBondContact O-N 3.16Å; W373-S375 VanDerWaalsContact C-N 3.29Å; W373-S375 PolarHBondContact O-N 2.77Å; W373-G376 PolarHBondContact O-N 3.08Å |
| 374 | M | 97.2 | Very high | 97.1 | Very high | 55 Ų | 55 | 52.4 Ų | 52.4 | 27% | 0.271 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.3 | -30.2 | 176.2 | -79.1 | -56.2 | -62.3 | 0 | 0 | 113.5 | L164 V165 R200 A370 D371 G376 | L164-M374 HydrophobicContact CB-CE 4.1Å; L164-M374 HydrophobicContact CB-CG 4.46Å; L164-M374 HydrophobicContact CB-SD 3.98Å; L164-M374 HydrophobicContact CD1-CG 3.71Å; L164-M374 HydrophobicContact CD1-SD 3.94Å; L164-M374 HydrophobicContact CD2-CG 4.26Å; L164-M374 HydrophobicContact CG-CG 4.37Å; L164-M374 HydrophobicContact CG-SD 4.47Å; V165-M374 HydrophobicContact CG2-CE 3.92Å; V165-M374 HydrophobicContact CG2-SD 4.35Å; R200-M374 HydrophobicContact CG-SD 4.48Å; A370-M374 WeakPolarHBondContact O-CB 3.31Å; A370-M374 WeakPolarHBondContact O-CG 3.25Å; A370-M374 PolarHBondContact O-N 2.85Å; D371-M374 PolarHBondContact O-N 3.15Å; M374-G376 PolarHBondContact O-N 3.39Å |
| 375 | S | 97.3 | Very high | 97.2 | Very high | 89 Ų | 89 | 54.4 Ų | 54.4 | 62% | 0.622 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -6.2 | 173.1 | 76.8 | 0 | 0 | 0 | 0 | 113.9 | D371 E372 W373 | D371-S375 WeakPolarHBondContact O-CB 3.46Å; D371-S375 PolarHBondContact O-N 2.83Å; E372-S375 PolarHBondContact O-N 2.87Å; E372-S375 PolarHBondContact O-OG 3.4Å; W373-S375 VanDerWaalsContact C-N 3.29Å; W373-S375 PolarHBondContact O-N 2.77Å |
| 376 | G | 97 | Very high | 97.2 | Very high | 39 Ų | 39 | 51.2 Ų | 51.2 | 40% | 0.402 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 103.1 | 8.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | E372 W373 M374 | E372-G376 PolarHBondContact O-N 2.88Å; W373-G376 PolarHBondContact O-N 3.08Å; M374-G376 PolarHBondContact O-N 3.39Å |
| 377 | K | 98.2 | Very high | 96.8 | Very high | 102 Ų | 102 | 56 Ų | 56 | 44% | 0.443 | 31% | 0.314 | S | S | . | . | trans | -73.2 | 134 | 174.4 | -61.3 | -168.2 | -165.6 | 172.1 | 0 | 110.5 | R200 L368 E372 | R200-K377 PolarHBondContact NH2-O 3.03Å; L368-K377 HydrophobicContact CD1-CB 4.27Å; L368-K377 WeakPolarHBondContact CD1-O 3.17Å; L368-K377 HydrophobicContact CD2-CB 4.02Å; L368-K377 HydrophobicContact CD2-CD 4.34Å; E372-K377 HydrophobicContact CB-CD 4.07Å; E372-K377 HydrophobicContact CG-CD 4.28Å; E372-K377 WeakPolarHBondContact O-CB 3.3Å; E372-K377 PolarHBondContact O-N 3.36Å; E372-K377 VanDerWaalsContact O-N 3.14Å; E372-K377 IonicContact OE1-NZ 3.58Å; E372-K377 PolarHBondContact OE1-NZ 3Å | ||
| 378 | D | 97.9 | Very high | 96.2 | Very high | 83 Ų | 83 | 63.7 Ų | 63.7 | 44% | 0.444 | 35% | 0.347 | S | S | . | . | trans | -109.4 | 138 | 169.6 | -64.2 | -38.4 | 0 | 0 | 0 | 109.1 | S183 R200 | S183-D378 VanDerWaalsContact CB-OD1 3.3Å; S183-D378 WeakPolarHBondContact CB-OD1 3.34Å; R200-D378 IonicContact CZ-OD1 3.51Å; R200-D378 IonicContact NH1-OD1 3.82Å; R200-D378 PolarHBondContact NH1-OD1 2.92Å; R200-D378 IonicContact NH1-OD2 3.78Å; R200-D378 IonicContact NH2-OD1 2.79Å; R200-D378 PolarHBondContact NH2-OD1 3.3Å | ||
| 379 | A | 98.1 | Very high | 95.2 | Very high | 28 Ų | 28 | 65 Ų | 65 | 23% | 0.231 | 36% | 0.364 | C | S | . | . | trans | -148.8 | 137.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | T139 N181 L368 | T139-A379 WeakPolarHBondContact CG2-O 3.47Å; T139-A379 PolarHBondContact OG1-O 3.45Å; N181-A379 WeakPolarHBondContact CB-O 3.4Å; L368-A379 HydrophobicContact CD1-CB 3.95Å; L368-A379 HydrophobicContact CD2-CB 3.99Å; L368-A379 HydrophobicContact CG-CB 3.8Å | ||
| 380 | D | 97.6 | Very high | 94.4 | Very high | 100 Ų | 100 | 64.3 Ų | 64.3 | 54% | 0.535 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 155 | 173.3 | -69.1 | -14.9 | 0 | 0 | 0 | 110.6 | Y180 N181 S367 | Y180-D380 HydrophobicContact CE1-CB 4.28Å; N181-D380 WeakPolarHBondContact CB-OD1 3.28Å; S367-D380 WeakPolarHBondContact CB-O 3.29Å; S367-D380 PolarHBondContact OG-O 3.35Å |
| 381 | P | 97.8 | Very high | 93.4 | Very high | 9 Ų | 9 | 69.5 Ų | 69.5 | 6% | 0.058 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -57.4 | 141.6 | 177.1 | -16.8 | 25.9 | 0 | 0 | 0 | 112.5 | T139 Y180 I362 S367 L383 | T139-P381 HydrophobicContact CG2-CB 4.06Å; T139-P381 HydrophobicContact CG2-CG 3.61Å; Y180-P381 HydrophobicContact CD1-CG 4.33Å; Y180-P381 VanDerWaalsContact CE1-CD 3.45Å; Y180-P381 HydrophobicContact CE1-CG 4.04Å; Y180-P381 HydrophobicContact CE2-CG 4.38Å; Y180-P381 WeakPolarHBondContact O-CD 3.34Å; Y180-P381 WeakPolarHBondContact O-CG 3.33Å; I362-P381 HydrophobicContact CB-CB 4.34Å; I362-P381 HydrophobicContact CD1-CB 4.39Å; I362-P381 HydrophobicContact CD1-CG 4.07Å; I362-P381 HydrophobicContact CG1-CB 3.97Å; I362-P381 HydrophobicContact CG1-CG 4.13Å; I362-P381 HydrophobicContact CG2-CB 3.76Å; I362-P381 HydrophobicContact CG2-CG 4.45Å; S367-P381 WeakPolarHBondContact OG-CA 3.5Å; P381-L383 PolarHBondContact O-N 2.85Å |
| 382 | I | 97.6 | Very high | 92.1 | Very high | 80 Ų | 80 | 66.9 Ų | 66.9 | 41% | 0.41 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 123.6 | 172.6 | -62.3 | 172.4 | 0 | 0 | 0 | 108.9 | G363 M365 P366 S367 | G363-I382 PolarHBondContact N-O 2.89Å; M365-I382 HydrophobicContact CB-CD1 4Å; P366-I382 WeakPolarHBondContact O-CD1 3.4Å; S367-I382 PolarHBondContact OG-N 3.29Å |
| 383 | L | 97.2 | Very high | 90.4 | Very high | 80 Ų | 80 | 70.7 Ų | 70.7 | 42% | 0.419 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 149.6 | -178.5 | -50.9 | -177.2 | 0 | 0 | 0 | 112.1 | D360 T361 I362 P381 | D360-L383 HydrophobicContact CB-CB 3.89Å; D360-L383 HydrophobicContact CB-CD1 4.26Å; T361-L383 CarbonylContact O-C 3.58Å; T361-L383 WeakPolarHBondContact O-CA 3.46Å; I362-L383 HydrophobicContact CG1-CD2 4.39Å; P381-L383 PolarHBondContact O-N 2.85Å |
| 384 | I | 96 | Very high | 88.1 | Confident | 46 Ų | 46 | 76.2 Ų | 76.2 | 24% | 0.236 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 150.4 | 174.6 | 63.3 | 171.2 | 0 | 0 | 0 | 110.2 | R318 D360 T361 Y390 | R318-I384 HydrophobicContact CG-CD1 4.11Å; D360-I384 CarbonylContact C-O 3.55Å; D360-I384 WeakPolarHBondContact CA-O 3.45Å; T361-I384 HydrophobicContact CG2-CG1 4.14Å; T361-I384 PolarHBondContact N-O 3.25Å; T361-I384 PolarHBondContact O-N 3.28Å; I384-Y390 HydrophobicContact CD1-CD2 3.87Å; I384-Y390 HydrophobicContact CD1-CE2 4.14Å |
| 385 | S | 96.1 | Very high | 85.8 | Confident | 56 Ų | 56 | 77.4 Ų | 77.4 | 39% | 0.392 | 43% | 0.433 | S | S | . | . | trans | -84.4 | 140.4 | 170.6 | -170.1 | 0 | 0 | 0 | 0 | 110.6 | D360 K387 | D360-S385 WeakPolarHBondContact OD1-CB 3.4Å; S385-K387 VanDerWaalsContact C-N 3.34Å; S385-K387 WeakPolarHBondContact OG-CB 3.44Å; S385-K387 PolarHBondContact OG-N 3.23Å | ||
| 386 | L | 95.2 | Very high | 82.6 | Confident | 5 Ų | 5 | 78.6 Ų | 78.6 | 3% | 0.026 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -90.1 | 2.3 | 173 | -61.8 | -179.4 | 0 | 0 | 0 | 113.4 | K317 V322 F353 Y358 T361 E388 G389 | K317-L386 HydrophobicContact CB-CD1 4.29Å; V322-L386 HydrophobicContact CG1-CB 4Å; V322-L386 HydrophobicContact CG1-CD1 4.03Å; F353-L386 HydrophobicContact CE2-CB 4.43Å; F353-L386 HydrophobicContact CZ-CB 4.5Å; Y358-L386 HydrophobicContact CD1-CD1 4.25Å; T361-L386 HydrophobicContact CG2-CD1 4.05Å; T361-L386 HydrophobicContact CG2-CD2 3.89Å; T361-L386 HydrophobicContact CG2-CG 3.8Å; L386-E388 VanDerWaalsContact C-N 3.33Å; L386-E388 PolarHBondContact O-N 3.3Å; L386-G389 PolarHBondContact O-N 3.05Å; L386-G389 VanDerWaalsContact O-N 3.08Å |
| 387 | K | 90.2 | Very high | 79.6 | Confident | 117 Ų | 117 | 86.2 Ų | 86.2 | 51% | 0.509 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -35.1 | -172.9 | -172.3 | 168.3 | -171.3 | 155.2 | 0 | 114.1 | F353 D355 S385 G389 | F353-K387 HydrophobicContact CB-CG 4.38Å; F353-K387 HydrophobicContact CD1-CB 4.1Å; F353-K387 HydrophobicContact CD1-CD 4.07Å; F353-K387 HydrophobicContact CD1-CG 3.84Å; F353-K387 HydrophobicContact CD2-CB 4.43Å; F353-K387 HydrophobicContact CD2-CG 4.44Å; F353-K387 HydrophobicContact CE1-CB 3.9Å; F353-K387 HydrophobicContact CE1-CD 4.39Å; F353-K387 HydrophobicContact CE1-CG 4.16Å; F353-K387 HydrophobicContact CE2-CB 4.27Å; F353-K387 HydrophobicContact CG-CB 4.34Å; F353-K387 HydrophobicContact CG-CG 3.97Å; F353-K387 HydrophobicContact CZ-CB 3.97Å; D355-K387 IonicContact OD1-NZ 3.99Å; D355-K387 IonicContact OD2-NZ 2.66Å; S385-K387 VanDerWaalsContact C-N 3.34Å; S385-K387 WeakPolarHBondContact OG-CB 3.44Å; S385-K387 PolarHBondContact OG-N 3.23Å; K387-G389 VanDerWaalsContact C-N 3.3Å |
| 388 | E | 84.3 | Confident | 76.5 | Confident | 192 Ų | 192 | 90.9 Ų | 90.9 | 90% | 0.897 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | 7.2 | 178.9 | -61.6 | -176.7 | 174.5 | 0 | 0 | 112.5 | L386 | L386-E388 VanDerWaalsContact C-N 3.33Å; L386-E388 PolarHBondContact O-N 3.3Å |
| 389 | G | 78.7 | Confident | 73.4 | Confident | 41 Ų | 41 | 96.5 Ų | 96.5 | 42% | 0.423 | 50% | 0.496 | S | S | . | . | trans | 75.3 | 167.4 | -166.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L386 K387 | L386-G389 PolarHBondContact O-N 3.05Å; L386-G389 VanDerWaalsContact O-N 3.08Å; K387-G389 VanDerWaalsContact C-N 3.3Å | ||
| 390 | Y | 79.1 | Confident | 70.5 | Confident | 45 Ų | 45 | 98.7 Ų | 98.7 | 18% | 0.176 | 50% | 0.503 | C | S | . | . | trans | -100.6 | 122.9 | 175.6 | 177.8 | -111.2 | 0 | 0 | 0 | 110.1 | P39 D89 R318 D364 I384 P392 | P39-Y390 HydrophobicContact CB-CD1 4.19Å; P39-Y390 HydrophobicContact CB-CE1 4.09Å; P39-Y390 HydrophobicContact CG-CD1 4.27Å; P39-Y390 HydrophobicContact CG-CE1 4.03Å; D89-Y390 PolarHBondContact OD2-OH 3.3Å; R318-Y390 HydrophobicContact CB-CD1 3.76Å; R318-Y390 HydrophobicContact CB-CD2 4.19Å; R318-Y390 HydrophobicContact CB-CE1 4Å; R318-Y390 HydrophobicContact CB-CE2 4.45Å; R318-Y390 HydrophobicContact CB-CG 3.86Å; R318-Y390 HydrophobicContact CG-CD2 4.12Å; R318-Y390 HydrophobicContact CG-CE2 4.23Å; R318-Y390 HydrophobicContact CG-CG 4.29Å; R318-Y390 VanDerWaalsContact NH1-CE1 3.29Å; R318-Y390 PolarHBondContact NH1-OH 2.83Å; R318-Y390 WeakPolarHBondContact O-CB 3.19Å; R318-Y390 WeakPolarHBondContact O-CD1 2.89Å; D364-Y390 PolarHBondContact OD2-OH 2.89Å; I384-Y390 HydrophobicContact CD1-CD2 3.87Å; I384-Y390 HydrophobicContact CD1-CE2 4.14Å; Y390-P392 HydrophobicContact CD1-CG 4.16Å; Y390-P392 HydrophobicContact CE1-CB 4.02Å; Y390-P392 HydrophobicContact CE1-CG 3.69Å | ||
| 391 | V | 74.3 | Confident | 67.4 | Low | 117 Ų | 117 | 97.1 Ų | 97.1 | 71% | 0.709 | 51% | 0.51 | S | S | * | . | trans | -108.7 | 113.3 | 168.2 | -178 | 0 | 0 | 0 | 0 | 107.4 | K393 | V391-K393 PolarHBondContact O-N 3.48Š| ||
| 392 | P | 68 | Low | 64.3 | Low | 57 Ų | 57 | 105.3 Ų | 105.3 | 37% | 0.37 | 55% | 0.545 | S | S | . | . | trans | -55.3 | 124 | 176.3 | -20.9 | 28.9 | 0 | 0 | 0 | 110.5 | K40 Y390 S394 | K40-P392 HydrophobicContact CD-CB 4.39Å; K40-P392 HydrophobicContact CG-CG 4.36Å; Y390-P392 HydrophobicContact CD1-CG 4.16Å; Y390-P392 HydrophobicContact CE1-CB 4.02Å; Y390-P392 HydrophobicContact CE1-CG 3.69Å; P392-S394 PolarHBondContact O-N 3.23Å | ||
| 393 | K | 63.2 | Low | 60.9 | Low | 143 Ų | 143 | 105.9 Ų | 105.9 | 62% | 0.622 | 55% | 0.552 | S | S | * | * | trans | -73.1 | 122 | 175.5 | -71.7 | -179 | -179.3 | 172.9 | 0 | 109.1 | V391 K395 | V391-K393 PolarHBondContact O-N 3.48Å; K393-K395 PolarHBondContact O-N 3.07Å | ||
| 394 | S | 49.7 | Very low | 57.7 | Low | 116 Ų | 116 | 109.1 Ų | 109.1 | 81% | 0.811 | 57% | 0.568 | S | S | * | * | trans | -67.8 | 104.4 | 163.6 | 62 | 0 | 0 | 0 | 0 | 108.1 | P392 | P392-S394 PolarHBondContact O-N 3.23Š| ||
| 395 | K | 47.6 | Very low | 54.5 | Low | 80 Ų | 80 | 111.6 Ų | 111.6 | 35% | 0.348 | 60% | 0.595 | S | S | . | * | trans | -60.6 | 137.4 | 170 | -82.7 | -174.5 | 176 | 176.4 | 0 | 108.5 | H87 E141 K393 K397 | H87-K395 PolarHBondContact O-NZ 3.17Å; E141-K395 IonicContact OE1-NZ 3.24Å; E141-K395 PolarHBondContact OE1-NZ 3.45Å; K393-K395 PolarHBondContact O-N 3.07Å; K395-K397 PolarHBondContact O-N 3.36Å | ||
| 396 | P | 30.9 | Very low | 51.4 | Low | 114 Ų | 114 | 114.3 Ų | 114.3 | 74% | 0.74 | 62% | 0.615 | S | S | * | * | trans | -57 | 134.8 | 170.4 | 23.1 | -30.6 | 0 | 0 | 0 | 108.3 | K398 | P396-K398 PolarHBondContact O-N 3.35Š| ||
| 397 | K | 34.9 | Very low | 48.4 | Very low | 200 Ų | 200 | 120.8 Ų | 120.8 | 87% | 0.87 | 66% | 0.655 | S | S | * | * | trans | -61.2 | 75 | -179 | -65.8 | 176.6 | -179.6 | 173.4 | 0 | 111.1 | K395 R399 | K395-K397 PolarHBondContact O-N 3.36Å; K397-R399 VanDerWaalsContact C-N 3.27Å; K397-R399 PolarHBondContact O-N 2.83Å; K397-R399 VanDerWaalsContact O-N 3.1Å | ||
| 398 | K | 31.5 | Very low | 45.7 | Very low | 199 Ų | 199 | 120.8 Ų | 120.8 | 87% | 0.865 | 67% | 0.666 | S | S | * | * | trans | -73.5 | 95.7 | 152.5 | -80.6 | -169.7 | 177.1 | -176.6 | 0 | 105.3 | P396 I400 | P396-K398 PolarHBondContact O-N 3.35Å; K398-I400 PolarHBondContact O-N 2.94Å | ||
| 399 | R | 33.7 | Very low | 43.1 | Very low | 202 Ų | 202 | 116.1 Ų | 116.1 | 76% | 0.762 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -49.2 | 121.5 | 169.6 | -78.4 | 179.2 | 166.6 | 178.4 | -2.1 | 107.4 | K397 G401 | K397-R399 VanDerWaalsContact C-N 3.27Å; K397-R399 PolarHBondContact O-N 2.83Å; K397-R399 VanDerWaalsContact O-N 3.1Å; R399-G401 PolarHBondContact O-N 2.77Å; R399-G401 VanDerWaalsContact O-N 3.16Å |
| 400 | I | 37.9 | Very low | 41.1 | Very low | 73 Ų | 73 | 119 Ų | 119 | 37% | 0.374 | 68% | 0.681 | S | S | . | * | S | Bend | trans | -54.4 | 120.2 | 152.8 | -61.5 | 171.9 | 0 | 0 | 0 | 104.6 | V121 K398 K402 | V121-I400 HydrophobicContact CB-CD1 4.38Å; V121-I400 HydrophobicContact CG2-CD1 4.32Å; K398-I400 PolarHBondContact O-N 2.94Å; I400-K402 PolarHBondContact O-N 3.44Å |
| 401 | G | 32.5 | Very low | 39.1 | Very low | 68 Ų | 68 | 124.5 Ų | 124.5 | 70% | 0.701 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -47 | 121 | -155.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | R399 | R399-G401 PolarHBondContact O-N 2.77Å; R399-G401 VanDerWaalsContact O-N 3.16Å |
| 402 | K | 31 | Very low | 37 | Very low | 181 Ų | 181 | 128.6 Ų | 128.6 | 79% | 0.787 | 72% | 0.721 | S | S | * | * | trans | -113.3 | 95.2 | 146.4 | -108.6 | -173.2 | 177.7 | -177.4 | 0 | 105.7 | I400 | I400-K402 PolarHBondContact O-N 3.44Š| ||
| 403 | V | 27.6 | Very low | 35.6 | Very low | 92 Ų | 92 | 135.3 Ų | 135.3 | 56% | 0.558 | 75% | 0.748 | S | S | * | * | trans | -83.7 | 157.9 | 153.7 | -179.8 | 0 | 0 | 0 | 0 | 106.4 | E513 | V403-E513 WeakPolarHBondContact CB-OE1 3.31Š| ||
| 404 | I | 30.3 | Very low | 34 | Very low | 147 Ų | 147 | 137.4 Ų | 137.4 | 75% | 0.754 | 76% | 0.76 | S | S | * | * | trans | 89.7 | 79.5 | -173.7 | -42.2 | 166.5 | 0 | 0 | 0 | 114.3 | ||||
| 405 | A | 28.7 | Very low | 33.4 | Very low | 98 Ų | 98 | 141.3 Ų | 141.3 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | 179.9 | 93.8 | 112.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 406 | S | 29.4 | Very low | 32.6 | Very low | 114 Ų | 114 | 144.8 Ų | 144.8 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | trans | -131.8 | 101 | 158.4 | 56.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 407 | T | 33.3 | Very low | 33 | Very low | 141 Ų | 141 | 144.8 Ų | 144.8 | 87% | 0.865 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 120.7 | 162 | -32.9 | 0 | 0 | 0 | 0 | 106.9 | ||
| 408 | P | 32.3 | Very low | 32.8 | Very low | 116 Ų | 116 | 142.1 Ų | 142.1 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 148.2 | 168.7 | -6.1 | 24.5 | 0 | 0 | 0 | 110.2 | ||
| 409 | A | 30.9 | Very low | 33.1 | Very low | 94 Ų | 94 | 140.9 Ų | 140.9 | 78% | 0.777 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 139.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 410 | A | 36.5 | Very low | 33 | Very low | 102 Ų | 102 | 137 Ų | 137 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 136.7 | 162.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||
| 411 | D | 36.3 | Very low | 32.9 | Very low | 160 Ų | 160 | 140 Ų | 140 | 86% | 0.856 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 149.6 | -167.2 | -64.5 | -58.6 | 0 | 0 | 0 | 115.3 | ||
| 412 | K | 31.4 | Very low | 33 | Very low | 203 Ų | 203 | 141.6 Ų | 141.6 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -81 | 125.7 | 164.6 | -72.5 | -176.2 | 173.6 | -174 | 0 | 109.2 | ||
| 413 | E | 37 | Very low | 33.2 | Very low | 198 Ų | 198 | 141.6 Ų | 141.6 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | trans | -127.9 | 121.7 | 146.7 | -79 | -170.9 | 157.2 | 0 | 0 | 109 | ||||
| 414 | E | 30 | Very low | 33.6 | Very low | 187 Ų | 187 | 145.3 Ų | 145.3 | 87% | 0.874 | 83% | 0.825 | S | S | * | * | trans | -73.7 | 138.9 | 168.8 | -75.9 | 174.9 | 144.7 | 0 | 0 | 109.8 | ||||
| 415 | Q | 37.3 | Very low | 33.6 | Very low | 198 Ų | 198 | 147.7 Ų | 147.7 | 93% | 0.925 | 83% | 0.83 | S | S | * | * | trans | -160.7 | 135.8 | 134.5 | -110.8 | 168.6 | 31.6 | 0 | 0 | 112.4 | ||||
| 416 | D | 32.1 | Very low | 34.1 | Very low | 153 Ų | 153 | 149.8 Ų | 149.8 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | trans | -39.2 | 143.3 | 177 | -88 | -46.9 | 0 | 0 | 0 | 116.7 | ||||
| 417 | S | 37.3 | Very low | 34.2 | Very low | 115 Ų | 115 | 150.4 Ų | 150.4 | 80% | 0.804 | 83% | 0.832 | S | S | * | * | 171.3 | 139.7 | 99.9 | 46.3 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 418 | N | 31.7 | Very low | 34.5 | Very low | 143 Ų | 143 | 148.4 Ų | 148.4 | 77% | 0.765 | 82% | 0.824 | S | S | * | * | trans | -30.5 | 144 | 173.7 | -63.4 | -48.7 | 0 | 0 | 0 | 117.9 | ||||
| 419 | L | 37.1 | Very low | 34.9 | Very low | 173 Ų | 173 | 151.5 Ų | 151.5 | 91% | 0.906 | 83% | 0.828 | S | S | * | * | -176.3 | 132.3 | 107.6 | -92.9 | 153.3 | 0 | 0 | 0 | 112.9 | |||||
| 420 | T | 31.9 | Very low | 35.4 | Very low | 120 Ų | 120 | 154.6 Ų | 154.6 | 74% | 0.736 | 83% | 0.826 | S | S | * | * | trans | -68.6 | 155.7 | 179.2 | -27.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 421 | V | 36.4 | Very low | 35.4 | Very low | 138 Ų | 138 | 156.4 Ų | 156.4 | 84% | 0.836 | 82% | 0.821 | S | S | * | * | 172.8 | 146.4 | 121.4 | 156.7 | 0 | 0 | 0 | 0 | 111 | |||||
| 422 | P | 34.9 | Very low | 35.4 | Very low | 101 Ų | 101 | 157.7 Ų | 157.7 | 66% | 0.656 | 82% | 0.822 | S | S | * | * | trans | -121.6 | 172 | -153.4 | 38.5 | -21.2 | 0 | 0 | 0 | 116.8 | ||||
| 423 | Q | 34.2 | Very low | 35.9 | Very low | 180 Ų | 180 | 157.3 Ų | 157.3 | 84% | 0.841 | 82% | 0.823 | S | S | * | * | trans | 62.1 | 128.7 | 152.6 | -74 | -179.9 | 6.1 | 0 | 0 | 121.4 | ||||
| 424 | N | 36.1 | Very low | 35.9 | Very low | 170 Ų | 170 | 153.9 Ų | 153.9 | 91% | 0.909 | 82% | 0.819 | S | S | * | * | trans | -154.2 | 126.2 | 132.3 | -101.5 | -23.9 | 0 | 0 | 0 | 112.5 | ||||
| 425 | K | 31.6 | Very low | 36.2 | Very low | 197 Ų | 197 | 148.6 Ų | 148.6 | 86% | 0.857 | 81% | 0.814 | S | S | * | * | trans | -88 | 144.1 | 166.1 | -88.3 | 178.3 | 172.9 | 176.5 | 0 | 109 | ||||
| 426 | V | 38.6 | Very low | 36.3 | Very low | 143 Ų | 143 | 145.2 Ų | 145.2 | 87% | 0.867 | 81% | 0.812 | S | S | * | * | trans | -134.3 | 125.9 | 156.2 | -179.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 427 | T | 30.4 | Very low | 36.7 | Very low | 127 Ų | 127 | 147.5 Ų | 147.5 | 78% | 0.779 | 82% | 0.815 | S | S | * | * | trans | -109.2 | 141.6 | 172.1 | 37.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 428 | S | 40.2 | Very low | 36.8 | Very low | 98 Ų | 98 | 147.5 Ų | 147.5 | 69% | 0.685 | 82% | 0.815 | S | S | * | * | trans | -159.2 | 117.5 | 149.8 | 57.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 429 | H | 41 | Very low | 37.3 | Very low | 181 Ų | 181 | 146.6 Ų | 146.6 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | 70.3 | 137.3 | 99.4 | -71.3 | -62.6 | 0 | 0 | 0 | 113.1 | |||||
| 430 | H | 41.3 | Very low | 37.3 | Very low | 159 Ų | 159 | 145.6 Ų | 145.6 | 74% | 0.736 | 81% | 0.812 | S | S | * | * | cis | -175.5 | 170.4 | -2.7 | -166.8 | 54.1 | 0 | 0 | 0 | 106.9 | ||||
| 431 | N | 37.3 | Very low | 37.8 | Very low | 140 Ų | 140 | 146.9 Ų | 146.9 | 75% | 0.749 | 82% | 0.82 | S | S | * | * | trans | 92.1 | 102.5 | 162.9 | -74.8 | -13.7 | 0 | 0 | 0 | 121.7 | ||||
| 432 | Q | 35.1 | Very low | 37.9 | Very low | 188 Ų | 188 | 149 Ų | 149 | 88% | 0.879 | 82% | 0.821 | S | S | * | * | trans | -81.7 | 150 | 148.2 | -66.6 | 171.4 | 1.9 | 0 | 0 | 110.1 | ||||
| 433 | Q | 42.5 | Very low | 38.1 | Very low | 194 Ų | 194 | 151.2 Ų | 151.2 | 91% | 0.907 | 83% | 0.828 | S | S | * | * | trans | -151.2 | 136.3 | 148.5 | -112.3 | 179.3 | 6.8 | 0 | 0 | 109.9 | ||||
| 434 | P | 37.1 | Very low | 39 | Very low | 127 Ų | 127 | 148.5 Ų | 148.5 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | trans | -108.6 | 160.4 | -176.6 | 38.7 | -30.6 | 0 | 0 | 0 | 114.1 | ||||
| 435 | G | 36.6 | Very low | 39.2 | Very low | 75 Ų | 75 | 146 Ų | 146 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | trans | 103.1 | 115.3 | 146.2 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 436 | S | 39.9 | Very low | 39.7 | Very low | 128 Ų | 128 | 146.5 Ų | 146.5 | 90% | 0.895 | 82% | 0.821 | S | S | * | * | trans | -166.1 | 147.3 | 131 | 51.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 437 | K | 40.5 | Very low | 39.8 | Very low | 200 Ų | 200 | 143.7 Ų | 143.7 | 87% | 0.87 | 81% | 0.812 | S | S | * | * | trans | -92.6 | 148.3 | -169.9 | -67 | 169.8 | 170.9 | 176.7 | 0 | 111.2 | ||||
| 438 | S | 37.8 | Very low | 40.1 | Very low | 115 Ų | 115 | 144.5 Ų | 144.5 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | 26 | 147.5 | 138.3 | -55.8 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 439 | P | 42.8 | Very low | 40.3 | Very low | 124 Ų | 124 | 149.1 Ų | 149.1 | 81% | 0.805 | 82% | 0.822 | S | S | * | * | -150.8 | 173.9 | 59.6 | 37.7 | -14.9 | 0 | 0 | 0 | 118.7 | |||||
| 440 | N | 38 | Very low | 40.2 | Very low | 152 Ų | 152 | 147.8 Ų | 147.8 | 81% | 0.813 | 82% | 0.82 | S | S | * | * | trans | -44.4 | 150.8 | 173.7 | -65.5 | -22.3 | 0 | 0 | 0 | 116.2 | ||||
| 441 | T | 42.2 | Very low | 40.2 | Very low | 147 Ų | 147 | 147.7 Ų | 147.7 | 90% | 0.902 | 83% | 0.825 | S | S | * | * | trans | -139.9 | 121.9 | 148.6 | 9.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 442 | E | 38.9 | Very low | 40.3 | Very low | 182 Ų | 182 | 144.8 Ų | 144.8 | 85% | 0.85 | 82% | 0.821 | S | S | * | * | trans | -79.9 | 164.1 | 175.5 | -73.7 | 175.2 | 137.6 | 0 | 0 | 112.7 | ||||
| 443 | N | 37.8 | Very low | 40.6 | Very low | 149 Ų | 149 | 143.2 Ų | 143.2 | 80% | 0.797 | 82% | 0.819 | S | S | * | * | trans | -36.9 | 167.7 | -178.3 | -62.2 | -43.8 | 0 | 0 | 0 | 119.4 | ||||
| 444 | P | 53.8 | Low | 40.3 | Very low | 123 Ų | 123 | 145.8 Ų | 145.8 | 80% | 0.799 | 82% | 0.82 | S | S | * | * | -139.8 | 152.2 | 106.8 | 36.3 | -24.3 | 0 | 0 | 0 | 114.9 | |||||
| 445 | P | 39.4 | Very low | 40.4 | Very low | 117 Ų | 117 | 148.4 Ų | 148.4 | 76% | 0.76 | 82% | 0.821 | S | S | * | * | trans | -101.6 | 140.7 | 167.3 | 36.5 | -27.3 | 0 | 0 | 0 | 111.7 | ||||
| 446 | K | 42.6 | Very low | 40.5 | Very low | 208 Ų | 208 | 156.7 Ų | 156.7 | 90% | 0.904 | 83% | 0.829 | S | S | * | * | trans | -162.4 | 155 | 163.8 | -69.1 | -167.7 | 179.7 | 176.1 | 0 | 108.1 | ||||
| 447 | A | 40.7 | Very low | 40.1 | Very low | 83 Ų | 83 | 157.8 Ų | 157.8 | 69% | 0.686 | 82% | 0.824 | S | S | * | * | cis | -178 | 141.4 | -28 | 0 | 0 | 0 | 0 | 0 | 104 | ||||
| 448 | D | 37.3 | Very low | 40 | Very low | 144 Ų | 144 | 155.1 Ų | 155.1 | 77% | 0.77 | 83% | 0.825 | S | S | * | * | trans | 11.8 | 131.3 | 158.3 | -55.9 | -36 | 0 | 0 | 0 | 121.6 | ||||
| 449 | H | 43.7 | Very low | 39.8 | Very low | 196 Ų | 196 | 159.2 Ų | 159.2 | 91% | 0.907 | 83% | 0.828 | S | S | * | * | trans | -141.7 | 112.2 | 137.3 | -105.2 | -70.6 | 0 | 0 | 0 | 110.8 | ||||
| 450 | L | 39.9 | Very low | 39.4 | Very low | 152 Ų | 152 | 158.5 Ų | 158.5 | 80% | 0.796 | 83% | 0.826 | S | S | * | * | trans | -81.2 | 137.6 | 160.5 | -80.5 | 140.7 | 0 | 0 | 0 | 109.3 | ||||
| 451 | D | 40.6 | Very low | 39.3 | Very low | 157 Ų | 157 | 157.8 Ų | 157.8 | 84% | 0.84 | 83% | 0.827 | S | S | * | * | trans | -175.3 | 107.5 | 142.3 | -100.2 | -22.1 | 0 | 0 | 0 | 107.5 | ||||
| 452 | A | 39.7 | Very low | 39.1 | Very low | 79 Ų | 79 | 156.4 Ų | 156.4 | 65% | 0.653 | 82% | 0.821 | S | S | * | * | 77.4 | 114.9 | 74.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 453 | N | 40.6 | Very low | 39.6 | Very low | 156 Ų | 156 | 153.9 Ų | 153.9 | 83% | 0.834 | 82% | 0.82 | S | S | * | * | trans | 67.6 | 113.1 | 148.5 | -70.6 | -27.5 | 0 | 0 | 0 | 120.7 | ||||
| 454 | R | 37.5 | Very low | 39.6 | Very low | 247 Ų | 247 | 156.4 Ų | 156.4 | 93% | 0.932 | 82% | 0.824 | S | S | * | * | -175.7 | 124.3 | 100.3 | -101.2 | 175.2 | 178.5 | -161.9 | 0.5 | 113.1 | |||||
| 455 | Q | 37.9 | Very low | 38.7 | Very low | 183 Ų | 183 | 157.8 Ų | 157.8 | 86% | 0.855 | 83% | 0.825 | S | S | * | * | trans | -69.4 | 144.7 | 159.6 | -68.1 | 169.6 | -11.4 | 0 | 0 | 110.6 | ||||
| 456 | R | 38.7 | Very low | 38.7 | Very low | 249 Ų | 249 | 160.2 Ų | 160.2 | 94% | 0.94 | 83% | 0.83 | S | S | * | * | trans | -158 | 119.3 | 140.9 | -116.4 | 177.9 | -166.6 | -158.2 | 2 | 112 | ||||
| 457 | L | 32.6 | Very low | 38.5 | Very low | 151 Ų | 151 | 155.6 Ų | 155.6 | 79% | 0.791 | 82% | 0.821 | S | S | * | * | trans | -58.7 | 149.8 | 157.1 | -80.6 | 75 | 0 | 0 | 0 | 110.3 | ||||
| 458 | T | 38.2 | Very low | 38.3 | Very low | 144 Ų | 144 | 157 Ų | 157 | 88% | 0.883 | 83% | 0.826 | S | S | * | * | -170.1 | 138.6 | 123.1 | 40.9 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 459 | K | 32.1 | Very low | 38.5 | Very low | 201 Ų | 201 | 156.1 Ų | 156.1 | 87% | 0.874 | 83% | 0.831 | S | S | * | * | trans | -70.3 | 154.9 | 170.4 | -64.2 | 168.7 | 172.2 | 177.5 | 0 | 111.7 | ||||
| 460 | S | 35.7 | Very low | 38.1 | Very low | 108 Ų | 108 | 155.7 Ų | 155.7 | 76% | 0.755 | 83% | 0.829 | S | S | * | * | 155.8 | 123.8 | 118.5 | 65.1 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 461 | T | 36.3 | Very low | 38.1 | Very low | 138 Ų | 138 | 154.6 Ų | 154.6 | 85% | 0.847 | 83% | 0.831 | S | S | * | * | trans | 27.1 | 149.9 | 141.1 | 23.2 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 462 | P | 36.5 | Very low | 38.2 | Very low | 117 Ų | 117 | 154.1 Ų | 154.1 | 76% | 0.76 | 83% | 0.834 | S | S | * | * | trans | -101.4 | 171 | -169 | 41.5 | -33.2 | 0 | 0 | 0 | 114.4 | ||||
| 463 | P | 50.5 | Low | 37.9 | Very low | 130 Ų | 130 | 158.3 Ų | 158.3 | 84% | 0.844 | 85% | 0.845 | S | S | * | * | trans | -115.2 | 158.5 | 168.6 | 35.7 | -22.3 | 0 | 0 | 0 | 115.5 | ||||
| 464 | K | 38 | Very low | 37.8 | Very low | 202 Ų | 202 | 154.6 Ų | 154.6 | 88% | 0.878 | 84% | 0.843 | S | S | * | * | trans | -80.8 | 165.8 | -176.4 | -71 | 174.9 | 171.9 | 178.8 | 0 | 114.4 | ||||
| 465 | D | 34.7 | Very low | 37.6 | Very low | 151 Ų | 151 | 151.2 Ų | 151.2 | 81% | 0.807 | 84% | 0.842 | S | S | * | * | trans | -50 | 158.4 | 173.8 | -52.2 | -66.6 | 0 | 0 | 0 | 117.2 | ||||
| 466 | I | 38.7 | Very low | 37.5 | Very low | 169 Ų | 169 | 147 Ų | 147 | 87% | 0.867 | 83% | 0.833 | S | S | * | * | trans | -172 | 144.4 | 131.2 | -86.5 | 146.8 | 0 | 0 | 0 | 109.2 | ||||
| 467 | P | 39.6 | Very low | 37.4 | Very low | 110 Ų | 110 | 141.3 Ų | 141.3 | 71% | 0.714 | 83% | 0.826 | S | S | * | * | trans | -117.4 | 175 | -159.6 | 39.4 | -24.5 | 0 | 0 | 0 | 117.3 | ||||
| 468 | S | 35.6 | Very low | 37.3 | Very low | 113 Ų | 113 | 138.1 Ų | 138.1 | 79% | 0.79 | 83% | 0.829 | S | S | * | * | trans | 70.6 | 120.5 | 149.6 | 66.7 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 469 | S | 40.6 | Very low | 37.1 | Very low | 125 Ų | 125 | 135.5 Ų | 135.5 | 87% | 0.874 | 82% | 0.823 | S | S | * | * | -167.4 | 143.6 | 128.2 | 59.1 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 470 | E | 37.1 | Very low | 36.9 | Very low | 188 Ų | 188 | 131.3 Ų | 131.3 | 88% | 0.879 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -65 | 160 | -167.1 | -60.1 | 169.8 | 146.4 | 0 | 0 | 116.7 | ||
| 471 | P | 38.6 | Very low | 37 | Very low | 128 Ų | 128 | 134.8 Ų | 134.8 | 83% | 0.831 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -100.7 | 144.9 | 175.8 | 36.8 | -28 | 0 | 0 | 0 | 113.8 | ||
| 472 | V | 42.2 | Very low | 37.2 | Very low | 148 Ų | 148 | 132.4 Ų | 132.4 | 90% | 0.897 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 132.1 | 169.9 | 177.5 | 0 | 0 | 0 | 0 | 109.8 | ||
| 473 | N | 34.3 | Very low | 37.4 | Very low | 166 Ų | 166 | 133 Ų | 133 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 139.3 | 179.7 | -82.8 | -32.6 | 0 | 0 | 0 | 113.8 | ||
| 474 | G | 37.9 | Very low | 37.4 | Very low | 78 Ų | 78 | 134 Ų | 134 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | -145.4 | 119.2 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 475 | I | 34.7 | Very low | 38.2 | Very low | 176 Ų | 176 | 129.7 Ų | 129.7 | 90% | 0.903 | 79% | 0.787 | S | S | * | * | trans | -82.3 | 132.6 | -175.8 | -65.5 | 163.3 | 0 | 0 | 0 | 110.3 | ||||
| 476 | S | 34.4 | Very low | 39.8 | Very low | 96 Ų | 96 | 124.2 Ų | 124.2 | 67% | 0.671 | 77% | 0.766 | S | S | * | * | trans | -173.4 | 113.7 | 148.5 | -172.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 477 | T | 37.2 | Very low | 41.6 | Very low | 128 Ų | 128 | 119.8 Ų | 119.8 | 79% | 0.785 | 74% | 0.743 | S | S | * | * | trans | 60.3 | 104.6 | 140.5 | 63.1 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 478 | G | 30.3 | Very low | 43 | Very low | 84 Ų | 84 | 121.1 Ų | 121.1 | 87% | 0.866 | 74% | 0.74 | S | S | * | * | 79.5 | 88 | 120 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 479 | A | 33.8 | Very low | 44.6 | Very low | 90 Ų | 90 | 121.5 Ų | 121.5 | 74% | 0.744 | 73% | 0.729 | S | S | * | * | trans | -170.3 | 128.2 | 134.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | H481 | A479-H481 PolarHBondContact O-N 3.48Š| ||
| 480 | C | 29.3 | Very low | 46.5 | Very low | 112 Ų | 112 | 120.7 Ų | 120.7 | 76% | 0.757 | 71% | 0.714 | S | S | * | * | trans | -58.5 | 115.3 | 175.8 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 481 | H | 37.3 | Very low | 48.5 | Very low | 181 Ų | 181 | 117.6 Ų | 117.6 | 84% | 0.838 | 70% | 0.701 | S | S | * | * | trans | -121.6 | 104.4 | 162.1 | -89.9 | 33 | 0 | 0 | 0 | 107.8 | A479 N483 | A479-H481 PolarHBondContact O-N 3.48Å; H481-N483 PolarHBondContact O-N 3.31Å | ||
| 482 | V | 40.8 | Very low | 50 | Low | 88 Ų | 88 | 114.7 Ų | 114.7 | 53% | 0.533 | 68% | 0.677 | S | S | . | * | trans | -72.4 | 123.8 | 174 | -177.8 | 0 | 0 | 0 | 0 | 108.1 | H484 I487 | V482-H484 PolarHBondContact O-N 2.51Å; V482-I487 HydrophobicContact CG1-CD1 3.84Å | ||
| 483 | N | 40.7 | Very low | 51.3 | Low | 130 Ų | 130 | 110.1 Ų | 110.1 | 70% | 0.695 | 65% | 0.647 | S | S | * | * | trans | -67.9 | 88.9 | -179.3 | -127.7 | -8.8 | 0 | 0 | 0 | 110.1 | H481 T485 G486 | H481-N483 PolarHBondContact O-N 3.31Å; N483-T485 PolarHBondContact O-N 2.69Å; N483-T485 VanDerWaalsContact O-N 3.13Å; N483-G486 PolarHBondContact O-N 3.21Å | ||
| 484 | H | 49.3 | Very low | 53.4 | Low | 150 Ų | 150 | 106 Ų | 106 | 69% | 0.694 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -60.5 | -20.7 | -176 | -87.2 | -71.1 | 0 | 0 | 0 | 114.5 | V482 | V482-H484 PolarHBondContact O-N 2.51Å |
| 485 | T | 54.5 | Low | 55.1 | Low | 113 Ų | 113 | 107.8 Ų | 107.8 | 69% | 0.693 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -71.4 | -30.8 | 177.1 | 41.4 | 0 | 0 | 0 | 0 | 113.5 | N483 | N483-T485 PolarHBondContact O-N 2.69Å; N483-T485 VanDerWaalsContact O-N 3.13Å |
| 486 | G | 68.1 | Low | 56.7 | Low | 35 Ų | 35 | 102.3 Ų | 102.3 | 36% | 0.361 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -73.2 | -36.5 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | N483 H489 L490 | N483-G486 PolarHBondContact O-N 3.21Å; G486-H489 PolarHBondContact O-N 2.64Å; G486-L490 WeakPolarHBondContact O-CG 3.38Å; G486-L490 PolarHBondContact O-N 2.81Å; G486-L490 VanDerWaalsContact O-N 3.08Å |
| 487 | I | 77.4 | Confident | 58.4 | Low | 77 Ų | 77 | 103 Ų | 103 | 40% | 0.395 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.2 | -42.8 | -178.7 | -64.4 | 176 | 0 | 0 | 0 | 110.9 | V482 H489 L490 M491 | V482-I487 HydrophobicContact CG1-CD1 3.84Å; I487-H489 PolarHBondContact O-N 3.17Å; I487-L490 PolarHBondContact O-N 2.8Å; I487-M491 HydrophobicContact CG2-CG 4.33Å; I487-M491 HydrophobicContact CG2-SD 4.07Å; I487-M491 VanDerWaalsContact O-CG 3.31Å; I487-M491 WeakPolarHBondContact O-CG 3.27Å; I487-M491 PolarHBondContact O-N 2.85Å |
| 488 | H | 69.1 | Low | 60.2 | Low | 138 Ų | 138 | 103.2 Ų | 103.2 | 64% | 0.639 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.5 | -40.9 | -180 | -170.4 | -77.3 | 0 | 0 | 0 | 112.3 | M491 E492 | H488-M491 PolarHBondContact O-N 2.89Å; H488-E492 PolarHBondContact O-N 2.82Å; H488-E492 VanDerWaalsContact O-N 3.07Å |
| 489 | H | 69.9 | Low | 61.9 | Low | 120 Ų | 120 | 101.5 Ų | 101.5 | 56% | 0.556 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.4 | -44.8 | 175.7 | -167.4 | -69.3 | 0 | 0 | 0 | 111.4 | G486 I487 M491 E492 D493 | G486-H489 PolarHBondContact O-N 2.64Å; I487-H489 PolarHBondContact O-N 3.17Å; H489-M491 VanDerWaalsContact C-N 3.34Å; H489-M491 PolarHBondContact O-N 3.21Å; H489-E492 PolarHBondContact O-N 2.93Å; H489-D493 IonicContact CE1-OD1 3.08Å; H489-D493 IonicContact CE1-OD2 2.77Å; H489-D493 PolarHBondContact CE1-OD2 3.27Å; H489-D493 IonicContact ND1-OD1 2.79Å; H489-D493 IonicContact ND1-OD2 3.58Å; H489-D493 PolarHBondContact ND1-OD2 3.47Å; H489-D493 PolarHBondContact O-N 3.08Å |
| 490 | L | 79.4 | Confident | 63.4 | Low | 108 Ų | 108 | 100.2 Ų | 100.2 | 57% | 0.565 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.9 | -39.7 | 176 | -73.1 | 169.9 | 0 | 0 | 0 | 112.3 | G486 I487 E492 D493 I494 | G486-L490 WeakPolarHBondContact O-CG 3.38Å; G486-L490 PolarHBondContact O-N 2.81Å; G486-L490 VanDerWaalsContact O-N 3.08Å; I487-L490 PolarHBondContact O-N 2.8Å; L490-E492 VanDerWaalsContact C-N 3.33Å; L490-E492 PolarHBondContact O-N 3.39Å; L490-D493 PolarHBondContact O-N 3.49Å; L490-I494 WeakPolarHBondContact O-CB 3.39Å; L490-I494 VanDerWaalsContact O-CG1 3.22Å; L490-I494 WeakPolarHBondContact O-CG1 3.3Å; L490-I494 PolarHBondContact O-N 2.74Å |
| 491 | M | 79.5 | Confident | 65.6 | Low | 124 Ų | 124 | 99.2 Ų | 99.2 | 61% | 0.611 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.9 | -40 | 176 | -75.3 | -179.7 | 69.1 | 0 | 0 | 112 | I487 H488 H489 I494 R495 | I487-M491 HydrophobicContact CG2-CG 4.33Å; I487-M491 HydrophobicContact CG2-SD 4.07Å; I487-M491 VanDerWaalsContact O-CG 3.31Å; I487-M491 WeakPolarHBondContact O-CG 3.27Å; I487-M491 PolarHBondContact O-N 2.85Å; H488-M491 PolarHBondContact O-N 2.89Å; H489-M491 VanDerWaalsContact C-N 3.34Å; H489-M491 PolarHBondContact O-N 3.21Å; M491-I494 PolarHBondContact O-N 3.16Å; M491-R495 WeakPolarHBondContact O-CB 3.23Å; M491-R495 PolarHBondContact O-N 3.23Å |
| 492 | E | 69.2 | Low | 67.3 | Low | 67 Ų | 67 | 96.8 Ų | 96.8 | 31% | 0.313 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.2 | -41.1 | 176.5 | -172.4 | 55.2 | -149.7 | 0 | 0 | 111.7 | H488 H489 L490 R495 K496 | H488-E492 PolarHBondContact O-N 2.82Å; H488-E492 VanDerWaalsContact O-N 3.07Å; H489-E492 PolarHBondContact O-N 2.93Å; L490-E492 VanDerWaalsContact C-N 3.33Å; L490-E492 PolarHBondContact O-N 3.39Å; E492-R495 WeakPolarHBondContact O-CB 3.36Å; E492-R495 PolarHBondContact O-N 3.37Å; E492-K496 WeakPolarHBondContact O-CG 3.19Å; E492-K496 PolarHBondContact O-N 3.22Å |
| 493 | D | 70.8 | Confident | 68.6 | Low | 51 Ų | 51 | 93.5 Ų | 93.5 | 27% | 0.273 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.8 | -42.1 | 174.4 | -67.8 | -24.9 | 0 | 0 | 0 | 111.6 | H489 L490 R495 K496 M497 | H489-D493 IonicContact CE1-OD1 3.08Å; H489-D493 IonicContact CE1-OD2 2.77Å; H489-D493 PolarHBondContact CE1-OD2 3.27Å; H489-D493 IonicContact ND1-OD1 2.79Å; H489-D493 IonicContact ND1-OD2 3.58Å; H489-D493 PolarHBondContact ND1-OD2 3.47Å; H489-D493 PolarHBondContact O-N 3.08Å; L490-D493 PolarHBondContact O-N 3.49Å; D493-R495 VanDerWaalsContact C-N 3.31Å; D493-R495 PolarHBondContact O-N 3.39Å; D493-K496 PolarHBondContact O-N 3.16Å; D493-M497 WeakPolarHBondContact O-CG 3.42Å; D493-M497 PolarHBondContact O-N 2.81Å |
| 494 | I | 78.3 | Confident | 70.2 | Confident | 81 Ų | 81 | 92.4 Ų | 92.4 | 42% | 0.415 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60.4 | -41.9 | 173.2 | -72.1 | 166.6 | 0 | 0 | 0 | 110.6 | L490 M491 M497 K498 | L490-I494 WeakPolarHBondContact O-CB 3.39Å; L490-I494 VanDerWaalsContact O-CG1 3.22Å; L490-I494 WeakPolarHBondContact O-CG1 3.3Å; L490-I494 PolarHBondContact O-N 2.74Å; M491-I494 PolarHBondContact O-N 3.16Å; I494-M497 HydrophobicContact CG1-CE 4.31Å; I494-M497 PolarHBondContact O-N 2.88Å; I494-K498 HydrophobicContact CG2-CD 4.19Å; I494-K498 HydrophobicContact CG2-CG 4.49Å; I494-K498 WeakPolarHBondContact O-CB 3.28Å; I494-K498 WeakPolarHBondContact O-CG 3.39Å; I494-K498 PolarHBondContact O-N 2.82Å |
| 495 | R | 73.5 | Confident | 71.6 | Confident | 115 Ų | 115 | 90.2 Ų | 90.2 | 43% | 0.434 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.6 | -46.7 | 177.3 | -178.4 | -171.9 | 170.2 | 110.9 | -0 | 111 | M491 E492 D493 K498 I499 | M491-R495 WeakPolarHBondContact O-CB 3.23Å; M491-R495 PolarHBondContact O-N 3.23Å; E492-R495 WeakPolarHBondContact O-CB 3.36Å; E492-R495 PolarHBondContact O-N 3.37Å; D493-R495 VanDerWaalsContact C-N 3.31Å; D493-R495 PolarHBondContact O-N 3.39Å; R495-K498 PolarHBondContact O-N 2.77Å; R495-I499 HydrophobicContact CG-CD1 4.44Å; R495-I499 WeakPolarHBondContact O-CG1 3.39Å; R495-I499 PolarHBondContact O-N 3.23Å; R495-I499 VanDerWaalsContact O-N 3.13Å |
| 496 | K | 66.9 | Low | 72.5 | Confident | 60 Ų | 60 | 90.8 Ų | 90.8 | 26% | 0.261 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.7 | -46.2 | 175.5 | -70.7 | 172.6 | -178 | 173 | 0 | 111.9 | E492 D493 K498 I499 I500 | E492-K496 WeakPolarHBondContact O-CG 3.19Å; E492-K496 PolarHBondContact O-N 3.22Å; D493-K496 PolarHBondContact O-N 3.16Å; K496-K498 VanDerWaalsContact C-N 3.33Å; K496-K498 PolarHBondContact O-N 2.99Å; K496-I499 PolarHBondContact O-N 3.33Å; K496-I499 VanDerWaalsContact O-N 3.15Å; K496-I500 WeakPolarHBondContact O-CG1 3.49Å; K496-I500 PolarHBondContact O-N 3.12Å |
| 497 | M | 71.4 | Confident | 72.6 | Confident | 110 Ų | 110 | 94 Ų | 94 | 54% | 0.542 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60.5 | -40.8 | 176.5 | -75.9 | -168.8 | -76.2 | 0 | 0 | 112.2 | D493 I494 I499 I500 I501 | D493-M497 WeakPolarHBondContact O-CG 3.42Å; D493-M497 PolarHBondContact O-N 2.81Å; I494-M497 HydrophobicContact CG1-CE 4.31Å; I494-M497 PolarHBondContact O-N 2.88Å; M497-I499 VanDerWaalsContact C-N 3.31Å; M497-I499 PolarHBondContact O-N 3.38Å; M497-I500 PolarHBondContact O-N 2.88Å; M497-I501 VanDerWaalsContact O-CG1 3.29Å; M497-I501 WeakPolarHBondContact O-CG1 3.43Å; M497-I501 PolarHBondContact O-N 3.33Å |
| 498 | K | 74.5 | Confident | 72.6 | Confident | 133 Ų | 133 | 94.7 Ų | 94.7 | 58% | 0.578 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -62.7 | -36.6 | 175.6 | -76.8 | 177.6 | 177.3 | -177.7 | 0 | 112.8 | I494 R495 K496 K502 | I494-K498 HydrophobicContact CG2-CD 4.19Å; I494-K498 HydrophobicContact CG2-CG 4.49Å; I494-K498 WeakPolarHBondContact O-CB 3.28Å; I494-K498 WeakPolarHBondContact O-CG 3.39Å; I494-K498 PolarHBondContact O-N 2.82Å; R495-K498 PolarHBondContact O-N 2.77Å; K496-K498 VanDerWaalsContact C-N 3.33Å; K496-K498 PolarHBondContact O-N 2.99Å; K498-K502 WeakPolarHBondContact O-CG 3.34Å; K498-K502 PolarHBondContact O-N 2.84Å |
| 499 | I | 65.3 | Low | 73.2 | Confident | 49 Ų | 49 | 93.1 Ų | 93.1 | 25% | 0.251 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67 | -45.5 | 175.8 | -66.3 | 167.7 | 0 | 0 | 0 | 109.9 | V125 R495 K496 M497 I501 K502 G503 | V125-I499 HydrophobicContact CB-CG2 4.41Å; V125-I499 HydrophobicContact CG1-CG2 3.96Å; V125-I499 HydrophobicContact CG2-CG2 3.69Å; R495-I499 HydrophobicContact CG-CD1 4.44Å; R495-I499 WeakPolarHBondContact O-CG1 3.39Å; R495-I499 PolarHBondContact O-N 3.23Å; R495-I499 VanDerWaalsContact O-N 3.13Å; K496-I499 PolarHBondContact O-N 3.33Å; K496-I499 VanDerWaalsContact O-N 3.15Å; M497-I499 VanDerWaalsContact C-N 3.31Å; M497-I499 PolarHBondContact O-N 3.38Å; I499-I501 PolarHBondContact O-N 3.26Å; I499-K502 PolarHBondContact O-N 2.75Å; I499-G503 PolarHBondContact O-N 3.03Å |
| 500 | I | 65.6 | Low | 73.2 | Confident | 63 Ų | 63 | 90.4 Ų | 90.4 | 32% | 0.323 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -58.4 | -47.1 | 175.7 | -66.8 | 166.3 | 0 | 0 | 0 | 111 | V125 K496 M497 K502 G503 H504 | V125-I500 HydrophobicContact CG1-CG1 3.56Å; K496-I500 WeakPolarHBondContact O-CG1 3.49Å; K496-I500 PolarHBondContact O-N 3.12Å; M497-I500 PolarHBondContact O-N 2.88Å; I500-K502 PolarHBondContact O-N 2.92Å; I500-G503 PolarHBondContact O-N 2.61Å; I500-G503 VanDerWaalsContact O-N 3.14Å; I500-H504 PolarHBondContact O-CD2 2.77Å; I500-H504 PolarHBondContact O-N 3.25Å |
| 501 | I | 76.2 | Confident | 73 | Confident | 91 Ų | 91 | 89 Ų | 89 | 47% | 0.467 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -59 | -46.3 | 178.1 | -69.8 | 166 | 0 | 0 | 0 | 110.7 | M497 I499 G503 H504 E505 | M497-I501 VanDerWaalsContact O-CG1 3.29Å; M497-I501 WeakPolarHBondContact O-CG1 3.43Å; M497-I501 PolarHBondContact O-N 3.33Å; I499-I501 PolarHBondContact O-N 3.26Å; I501-G503 VanDerWaalsContact C-N 3.3Å; I501-G503 PolarHBondContact O-N 2.61Å; I501-H504 CarbonylContact O-C 3.53Å; I501-H504 WeakPolarHBondContact O-CB 3.4Å; I501-H504 PolarHBondContact O-N 2.9Å; I501-H504 VanDerWaalsContact O-N 3.13Å; I501-E505 HydrophobicContact CG2-CG 4.32Å; I501-E505 WeakPolarHBondContact O-CG 3.35Å; I501-E505 PolarHBondContact O-N 3.12Å |
| 502 | K | 72.6 | Confident | 73.3 | Confident | 129 Ų | 129 | 88.2 Ų | 88.2 | 56% | 0.561 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -61.6 | -37.3 | 176.2 | -78.4 | -174.6 | 176 | -171.6 | 0 | 113.1 | K498 I499 I500 E505 R506 | K498-K502 WeakPolarHBondContact O-CG 3.34Å; K498-K502 PolarHBondContact O-N 2.84Å; I499-K502 PolarHBondContact O-N 2.75Å; I500-K502 PolarHBondContact O-N 2.92Å; K502-E505 PolarHBondContact O-N 3.21Å; K502-R506 WeakPolarHBondContact O-CG 3.36Å; K502-R506 PolarHBondContact O-N 3.31Å; K502-R506 VanDerWaalsContact O-N 3.08Å |
| 503 | G | 67.3 | Low | 73.8 | Confident | 20 Ų | 20 | 88.5 Ų | 88.5 | 21% | 0.206 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -62.7 | -44.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | I499 I500 I501 R506 R507 | I499-G503 PolarHBondContact O-N 3.03Å; I500-G503 PolarHBondContact O-N 2.61Å; I500-G503 VanDerWaalsContact O-N 3.14Å; I501-G503 VanDerWaalsContact C-N 3.3Å; I501-G503 PolarHBondContact O-N 2.61Å; G503-R506 PolarHBondContact O-N 3.42Å; G503-R507 WeakPolarHBondContact O-CB 3.34Å; G503-R507 PolarHBondContact O-N 3.09Å |
| 504 | H | 75.5 | Confident | 73.9 | Confident | 107 Ų | 107 | 92.1 Ų | 92.1 | 50% | 0.495 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.1 | -39.2 | 174.9 | -71 | -170.2 | 0 | 0 | 0 | 112.7 | I500 I501 R507 I508 | I500-H504 PolarHBondContact O-CD2 2.77Å; I500-H504 PolarHBondContact O-N 3.25Å; I501-H504 CarbonylContact O-C 3.53Å; I501-H504 WeakPolarHBondContact O-CB 3.4Å; I501-H504 PolarHBondContact O-N 2.9Å; I501-H504 VanDerWaalsContact O-N 3.13Å; H504-R507 WeakPolarHBondContact O-CB 3.24Å; H504-R507 PolarHBondContact O-N 2.87Å; H504-I508 VanDerWaalsContact O-CG1 3.31Å; H504-I508 WeakPolarHBondContact O-CG1 3.25Å; H504-I508 PolarHBondContact O-N 3.39Å |
| 505 | E | 79.1 | Confident | 73.9 | Confident | 103 Ų | 103 | 93.3 Ų | 93.3 | 48% | 0.481 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.2 | -45.7 | 175.2 | -74.6 | 171 | 170.2 | 0 | 0 | 111.6 | I501 K502 R507 I508 Q509 | I501-E505 HydrophobicContact CG2-CG 4.32Å; I501-E505 WeakPolarHBondContact O-CG 3.35Å; I501-E505 PolarHBondContact O-N 3.12Å; K502-E505 PolarHBondContact O-N 3.21Å; E505-R507 VanDerWaalsContact C-N 3.3Å; E505-R507 PolarHBondContact O-N 2.63Å; E505-I508 PolarHBondContact O-N 3.22Å; E505-Q509 WeakPolarHBondContact O-CG 3.14Å; E505-Q509 PolarHBondContact O-N 3.39Å |
| 506 | R | 73.7 | Confident | 74.1 | Confident | 126 Ų | 126 | 93 Ų | 93 | 48% | 0.475 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.2 | -39.2 | 173.9 | -71.5 | 178.9 | -168.5 | 169.8 | 4 | 111.9 | K502 G503 Q509 N510 | K502-R506 WeakPolarHBondContact O-CG 3.36Å; K502-R506 PolarHBondContact O-N 3.31Å; K502-R506 VanDerWaalsContact O-N 3.08Å; G503-R506 PolarHBondContact O-N 3.42Å; R506-Q509 PolarHBondContact O-N 3.09Å; R506-N510 PolarHBondContact O-N 3.45Å |
| 507 | R | 68.7 | Low | 74.2 | Confident | 102 Ų | 102 | 96.4 Ų | 96.4 | 39% | 0.385 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.2 | -43.9 | 176.1 | -174.5 | 178.6 | -176 | 175.4 | 2.1 | 111.7 | E162 G503 H504 E505 Q509 N510 L511 | E162-R507 IonicContact OE1-CZ 3.23Å; E162-R507 VanDerWaalsContact OE1-CZ 3.31Å; E162-R507 IonicContact OE1-NE 3.66Å; E162-R507 PolarHBondContact OE1-NE 2.79Å; E162-R507 IonicContact OE1-NH2 3.11Å; E162-R507 PolarHBondContact OE1-NH2 3.14Å; G503-R507 WeakPolarHBondContact O-CB 3.34Å; G503-R507 PolarHBondContact O-N 3.09Å; H504-R507 WeakPolarHBondContact O-CB 3.24Å; H504-R507 PolarHBondContact O-N 2.87Å; E505-R507 VanDerWaalsContact C-N 3.3Å; E505-R507 PolarHBondContact O-N 2.63Å; R507-Q509 VanDerWaalsContact C-N 3.34Å; R507-N510 PolarHBondContact O-N 3.2Å; R507-L511 HydrophobicContact CG-CD1 4.09Å; R507-L511 HydrophobicContact CG-CG 4.45Å; R507-L511 WeakPolarHBondContact O-CG 3.3Å; R507-L511 PolarHBondContact O-N 2.72Å |
| 508 | I | 78.6 | Confident | 73.6 | Confident | 92 Ų | 92 | 95.9 Ų | 95.9 | 47% | 0.472 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -58.1 | -49 | 175.5 | -71.3 | 165.3 | 0 | 0 | 0 | 109.6 | H504 E505 N510 L511 E512 | H504-I508 VanDerWaalsContact O-CG1 3.31Å; H504-I508 WeakPolarHBondContact O-CG1 3.25Å; H504-I508 PolarHBondContact O-N 3.39Å; E505-I508 PolarHBondContact O-N 3.22Å; I508-N510 VanDerWaalsContact C-N 3.34Å; I508-N510 PolarHBondContact O-N 3.02Å; I508-L511 PolarHBondContact O-N 3.37Å; I508-L511 VanDerWaalsContact O-N 3.16Å; I508-E512 HydrophobicContact CG2-CG 4.26Å; I508-E512 WeakPolarHBondContact CG2-OE1 3.47Å; I508-E512 WeakPolarHBondContact O-CB 3.44Å; I508-E512 WeakPolarHBondContact O-CG 3.18Å; I508-E512 PolarHBondContact O-N 3.49Å |
| 509 | Q | 80.3 | Confident | 72.7 | Confident | 104 Ų | 104 | 95.8 Ų | 95.8 | 49% | 0.486 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -58 | -43.2 | 177.3 | -72 | 174.8 | -9.5 | 0 | 0 | 112.8 | E505 R506 R507 E512 E513 | E505-Q509 WeakPolarHBondContact O-CG 3.14Å; E505-Q509 PolarHBondContact O-N 3.39Å; R506-Q509 PolarHBondContact O-N 3.09Å; R507-Q509 VanDerWaalsContact C-N 3.34Å; Q509-E512 PolarHBondContact O-N 3.45Å; Q509-E513 WeakPolarHBondContact O-CG 3.47Å; Q509-E513 PolarHBondContact O-N 2.79Å |
| 510 | N | 70.7 | Confident | 72.2 | Confident | 64 Ų | 64 | 98 Ų | 98 | 34% | 0.342 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.5 | -40.1 | 177.5 | -168.5 | -42.6 | 0 | 0 | 0 | 112 | R506 R507 I508 E513 R514 | R506-N510 PolarHBondContact O-N 3.45Å; R507-N510 PolarHBondContact O-N 3.2Å; I508-N510 VanDerWaalsContact C-N 3.34Å; I508-N510 PolarHBondContact O-N 3.02Å; N510-E513 PolarHBondContact O-N 3.46Å; N510-R514 WeakPolarHBondContact O-CG 3.45Å; N510-R514 PolarHBondContact O-N 3.37Å |
| 511 | L | 74.6 | Confident | 71.1 | Confident | 79 Ų | 79 | 98.1 Ų | 98.1 | 41% | 0.414 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67 | -39.5 | 176.1 | -71 | 171.9 | 0 | 0 | 0 | 112.2 | R507 I508 R514 L515 | R507-L511 HydrophobicContact CG-CD1 4.09Å; R507-L511 HydrophobicContact CG-CG 4.45Å; R507-L511 WeakPolarHBondContact O-CG 3.3Å; R507-L511 PolarHBondContact O-N 2.72Å; I508-L511 PolarHBondContact O-N 3.37Å; I508-L511 VanDerWaalsContact O-N 3.16Å; L511-R514 PolarHBondContact O-N 3.5Å; L511-L515 WeakPolarHBondContact O-CB 3.24Å; L511-L515 PolarHBondContact O-N 3.37Å |
| 512 | E | 85.8 | Confident | 69.2 | Low | 106 Ų | 106 | 96.5 Ų | 96.5 | 50% | 0.495 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.1 | -47.1 | 173.3 | -72.5 | 170.3 | 164.5 | 0 | 0 | 110.8 | I508 Q509 R514 L515 D516 | I508-E512 HydrophobicContact CG2-CG 4.26Å; I508-E512 WeakPolarHBondContact CG2-OE1 3.47Å; I508-E512 WeakPolarHBondContact O-CB 3.44Å; I508-E512 WeakPolarHBondContact O-CG 3.18Å; I508-E512 PolarHBondContact O-N 3.49Å; Q509-E512 PolarHBondContact O-N 3.45Å; E512-R514 VanDerWaalsContact C-N 3.31Å; E512-R514 PolarHBondContact O-N 3.1Å; E512-L515 WeakPolarHBondContact O-CB 3.49Å; E512-L515 PolarHBondContact O-N 3.29Å; E512-L515 VanDerWaalsContact O-N 3.12Å; E512-D516 PolarHBondContact O-N 2.84Å |
| 513 | E | 79.7 | Confident | 67.4 | Low | 73 Ų | 73 | 98.2 Ų | 98.2 | 34% | 0.341 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.2 | -38.2 | 175.5 | -75.3 | 178.9 | -173.9 | 0 | 0 | 112.6 | V403 Q509 N510 L517 | V403-E513 WeakPolarHBondContact CB-OE1 3.31Å; Q509-E513 WeakPolarHBondContact O-CG 3.47Å; Q509-E513 PolarHBondContact O-N 2.79Å; N510-E513 PolarHBondContact O-N 3.46Å; E513-L517 VanDerWaalsContact O-CG 3.29Å; E513-L517 WeakPolarHBondContact O-CG 3.2Å; E513-L517 PolarHBondContact O-N 2.67Å |
| 514 | R | 74.6 | Confident | 65.9 | Low | 128 Ų | 128 | 103 Ų | 103 | 48% | 0.483 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -69.1 | -36.4 | 175.6 | -73.6 | 177.2 | 70.5 | 171.2 | 4.2 | 112.4 | N510 L511 E512 L517 T518 | N510-R514 WeakPolarHBondContact O-CG 3.45Å; N510-R514 PolarHBondContact O-N 3.37Å; L511-R514 PolarHBondContact O-N 3.5Å; E512-R514 VanDerWaalsContact C-N 3.31Å; E512-R514 PolarHBondContact O-N 3.1Å; R514-L517 PolarHBondContact O-N 2.96Å; R514-T518 PolarHBondContact O-N 3.29Å; R514-T518 PolarHBondContact O-OG1 2.79Å |
| 515 | L | 77.4 | Confident | 64.1 | Low | 105 Ų | 105 | 103.5 Ų | 103.5 | 55% | 0.55 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.5 | -44.8 | 176.8 | -172.2 | 66.8 | 0 | 0 | 0 | 110.6 | L511 E512 L517 T518 D519 | L511-L515 WeakPolarHBondContact O-CB 3.24Å; L511-L515 PolarHBondContact O-N 3.37Å; E512-L515 WeakPolarHBondContact O-CB 3.49Å; E512-L515 PolarHBondContact O-N 3.29Å; E512-L515 VanDerWaalsContact O-N 3.12Å; L515-L517 VanDerWaalsContact C-N 3.29Å; L515-L517 PolarHBondContact O-N 3.35Å; L515-T518 WeakPolarHBondContact CA-OG1 3.41Å; L515-T518 PolarHBondContact O-N 3.36Å; L515-T518 PolarHBondContact O-OG1 2.66Å; L515-D519 PolarHBondContact O-N 2.73Å |
| 516 | D | 78.2 | Confident | 61.9 | Low | 109 Ų | 109 | 104.7 Ų | 104.7 | 58% | 0.583 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -61.2 | -37.2 | 177.3 | -72.5 | -15.9 | 0 | 0 | 0 | 112.1 | E512 T518 S520 | E512-D516 PolarHBondContact O-N 2.84Å; D516-T518 VanDerWaalsContact C-N 3.32Å; D516-S520 WeakPolarHBondContact O-CB 3.37Å; D516-S520 PolarHBondContact O-N 2.77Å; D516-S520 PolarHBondContact O-OG 3.39Å |
| 517 | L | 68.2 | Low | 59.9 | Low | 131 Ų | 131 | 103 Ų | 103 | 69% | 0.686 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -68.9 | -28.5 | 174.9 | -72.1 | 168.1 | 0 | 0 | 0 | 113.1 | E513 R514 L515 | E513-L517 VanDerWaalsContact O-CG 3.29Å; E513-L517 WeakPolarHBondContact O-CG 3.2Å; E513-L517 PolarHBondContact O-N 2.67Å; R514-L517 PolarHBondContact O-N 2.96Å; L515-L517 VanDerWaalsContact C-N 3.29Å; L515-L517 PolarHBondContact O-N 3.35Å |
| 518 | T | 59.3 | Low | 58.5 | Low | 99 Ų | 99 | 107.1 Ų | 107.1 | 61% | 0.607 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -80.4 | -34.7 | 174.7 | 44.6 | 0 | 0 | 0 | 0 | 113.1 | R514 L515 D516 | R514-T518 PolarHBondContact O-N 3.29Å; R514-T518 PolarHBondContact O-OG1 2.79Å; L515-T518 WeakPolarHBondContact CA-OG1 3.41Å; L515-T518 PolarHBondContact O-N 3.36Å; L515-T518 PolarHBondContact O-OG1 2.66Å; D516-T518 VanDerWaalsContact C-N 3.32Å |
| 519 | D | 56.1 | Low | 56.5 | Low | 132 Ų | 132 | 108.1 Ų | 108.1 | 71% | 0.706 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -76.1 | -32.4 | 177.9 | -110.2 | -4 | 0 | 0 | 0 | 112.3 | L515 G521 G522 | L515-D519 PolarHBondContact O-N 2.73Å; D519-G521 PolarHBondContact O-N 3.16Å; D519-G522 PolarHBondContact O-N 2.71Å |
| 520 | S | 54.1 | Low | 54.3 | Low | 96 Ų | 96 | 110 Ų | 110 | 67% | 0.671 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | -1.7 | 176.4 | 52.6 | 0 | 0 | 0 | 0 | 114.7 | D516 | D516-S520 WeakPolarHBondContact O-CB 3.37Å; D516-S520 PolarHBondContact O-N 2.77Å; D516-S520 PolarHBondContact O-OG 3.39Å |
| 521 | G | 42.2 | Very low | 53.1 | Low | 64 Ų | 64 | 111.9 Ų | 111.9 | 66% | 0.66 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.6 | 4.8 | 176 | 0 | 0 | 0 | 0 | 0 | 115.6 | D519 | D519-G521 PolarHBondContact O-N 3.16Š|
| 522 | G | 35.9 | Very low | 51.4 | Low | 58 Ų | 58 | 112.7 Ų | 112.7 | 60% | 0.598 | 68% | 0.681 | S | S | * | * | trans | -90.2 | -14.1 | -170.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | D519 | D519-G522 PolarHBondContact O-N 2.71Š| ||
| 523 | D | 35 | Very low | 49.1 | Very low | 164 Ų | 164 | 115.1 Ų | 115.1 | 88% | 0.877 | 70% | 0.695 | S | S | * | * | trans | -110.6 | 78.8 | -176 | -79.2 | -29.2 | 0 | 0 | 0 | 112 | ||||
| 524 | C | 35.5 | Very low | 47.5 | Very low | 120 Ų | 120 | 124.6 Ų | 124.6 | 81% | 0.811 | 74% | 0.736 | S | S | * | * | trans | -134.6 | 84.6 | 162.3 | -92.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 525 | V | 38.5 | Very low | 46.1 | Very low | 119 Ų | 119 | 124.5 Ų | 124.5 | 72% | 0.721 | 75% | 0.748 | S | S | * | * | trans | 59.9 | 87.4 | 140.8 | -162.6 | 0 | 0 | 0 | 0 | 117.5 | S527 | V525-S527 WeakPolarHBondContact CG1-OG 3.39Å; V525-S527 PolarHBondContact O-N 3.22Å | ||
| 526 | S | 31.9 | Very low | 44.5 | Very low | 128 Ų | 128 | 125.5 Ų | 125.5 | 90% | 0.895 | 76% | 0.759 | S | S | * | * | trans | -67.7 | 92.9 | 147.3 | 56.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 527 | S | 33.3 | Very low | 42.6 | Very low | 90 Ų | 90 | 126.4 Ų | 126.4 | 63% | 0.629 | 77% | 0.769 | S | S | * | * | trans | -164.3 | 85.7 | 157.3 | 64.6 | 0 | 0 | 0 | 0 | 111.5 | V525 | V525-S527 WeakPolarHBondContact CG1-OG 3.39Å; V525-S527 PolarHBondContact O-N 3.22Å | ||
| 528 | M | 37.7 | Very low | 41.1 | Very low | 189 Ų | 189 | 126.1 Ų | 126.1 | 93% | 0.931 | 77% | 0.773 | S | S | * | * | trans | -123 | 109.7 | 150.2 | -82.6 | -167 | 174.2 | 0 | 0 | 108.3 | ||||
| 529 | S | 37.5 | Very low | 39.9 | Very low | 112 Ų | 112 | 127.8 Ų | 127.8 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | trans | -56 | 126.3 | -178.6 | 46.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 530 | V | 34.5 | Very low | 38.9 | Very low | 143 Ų | 143 | 127.5 Ų | 127.5 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | trans | -86.1 | 116.8 | 158 | 177.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 531 | S | 45.2 | Very low | 37.8 | Very low | 104 Ų | 104 | 129.8 Ų | 129.8 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | -132.6 | 94.8 | 165.5 | 59 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 532 | S | 38.1 | Very low | 37.4 | Very low | 97 Ų | 97 | 134.8 Ų | 134.8 | 68% | 0.678 | 81% | 0.808 | S | S | * | * | trans | 28.5 | 130.1 | 132.2 | -79.8 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 533 | I | 38.6 | Very low | 37.6 | Very low | 156 Ų | 156 | 141.3 Ų | 141.3 | 80% | 0.8 | 83% | 0.826 | S | S | * | * | trans | 77.3 | 91.8 | 133.9 | -54.4 | 161.4 | 0 | 0 | 0 | 117.5 | ||||
| 534 | K | 45.3 | Very low | 37.8 | Very low | 273 Ų | 273 | 139.2 Ų | 139.2 | 100% | 1.187 | 82% | 0.821 | S | S | * | * | -168.5 | 0 | 103.5 | -115.5 | -176.9 | -175.4 | 179.4 | 0 | 111 |
Retrieved 534 of 534 residues in 903.7 ms
(Link to these results)