| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.2 | Very low | 79.2 | Confident | 233 Ų | 233 | 99.6 Ų | 99.6 | 100% | 1.148 | 49% | 0.488 | S | S | * | . | 0 | 115.2 | 0 | -89.8 | 166.4 | 50.5 | 0 | 0 | 106.2 | E3 | M1-E3 PolarHBondContact O-N 2.8Š| |||
| 2 | E | 45.1 | Very low | 80.2 | Confident | 198 Ų | 198 | 94.8 Ų | 94.8 | 93% | 0.925 | 48% | 0.483 | S | S | * | . | trans | -58.6 | 123.4 | 166 | -77.4 | 174.7 | 156 | 0 | 0 | 107.5 | K4 | E2-K4 PolarHBondContact O-N 3.47Š| ||
| 3 | E | 60.3 | Low | 81.4 | Confident | 178 Ų | 178 | 94.8 Ų | 94.8 | 83% | 0.832 | 49% | 0.493 | S | S | * | . | trans | -61.3 | 126.6 | 177.9 | -78.8 | -177 | 155.1 | 0 | 0 | 109.2 | M1 Q5 | M1-E3 PolarHBondContact O-N 2.8Å; E3-Q5 PolarHBondContact O-N 2.85Å | ||
| 4 | K | 67.4 | Low | 82.5 | Confident | 165 Ų | 165 | 89.1 Ų | 89.1 | 72% | 0.717 | 47% | 0.467 | S | S | * | . | trans | -65.1 | 103.1 | 178.2 | -176.1 | -179.4 | 178.7 | -179.3 | 0 | 109.6 | E2 T6 | E2-K4 PolarHBondContact O-N 3.47Å; K4-T6 PolarHBondContact O-N 2.72Å | ||
| 5 | Q | 79 | Confident | 83.5 | Confident | 166 Ų | 166 | 86.9 Ų | 86.9 | 78% | 0.776 | 45% | 0.452 | S | S | * | . | trans | -68 | 114.7 | 177.9 | -164.5 | 171.1 | 4.7 | 0 | 0 | 110.1 | E3 | E3-Q5 PolarHBondContact O-N 2.85Š| ||
| 6 | T | 94.4 | Very high | 84.4 | Confident | 71 Ų | 71 | 83.5 Ų | 83.5 | 44% | 0.436 | 43% | 0.434 | S | S | . | . | trans | -108.8 | 130.9 | 179.9 | -61.2 | 0 | 0 | 0 | 0 | 109.7 | K4 G327 I329 | K4-T6 PolarHBondContact O-N 2.72Å; T6-G327 CarbonylContact C-O 3.54Å; T6-G327 WeakPolarHBondContact CA-O 3.3Å; T6-G327 WeakPolarHBondContact CG2-O 3.28Å; T6-I329 HydrophobicContact CG2-CD1 3.87Å; T6-I329 HydrophobicContact CG2-CG1 3.99Å; T6-I329 HydrophobicContact CG2-CG2 4.05Å | ||
| 7 | I | 96.8 | Very high | 85.2 | Confident | 19 Ų | 19 | 79 Ų | 79 | 10% | 0.097 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 118.9 | 178.8 | -54.3 | 172.3 | 0 | 0 | 0 | 108.7 | F9 G327 M328 I329 D352 A355 | I7-F9 HydrophobicContact CB-CE2 4.21Å; I7-F9 HydrophobicContact CG2-CD2 4.04Å; I7-F9 HydrophobicContact CG2-CE1 4.24Å; I7-F9 HydrophobicContact CG2-CE2 3.41Å; I7-F9 VanDerWaalsContact CG2-CE2 3.41Å; I7-F9 HydrophobicContact CG2-CZ 3.52Å; I7-G327 PolarHBondContact N-O 2.83Å; I7-M328 HydrophobicContact CB-CG 4.15Å; I7-M328 HydrophobicContact CD1-CG 4.06Å; I7-M328 WeakPolarHBondContact O-CA 3.43Å; I7-I329 WeakPolarHBondContact O-CG1 3.43Å; I7-I329 PolarHBondContact O-N 3.47Å; I7-D352 HydrophobicContact CG2-CB 3.66Å; I7-D352 WeakPolarHBondContact CG2-OD1 3.48Å; I7-A355 HydrophobicContact CD1-CB 3.78Å |
| 8 | N | 97.4 | Very high | 85.8 | Confident | 42 Ų | 42 | 82.3 Ų | 82.3 | 23% | 0.225 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 110.3 | -178.6 | -176.8 | 14.7 | 0 | 0 | 0 | 111.8 | G10 K15 I329 S330 | N8-G10 VanDerWaalsContact C-N 3.28Å; N8-G10 PolarHBondContact O-N 3.3Å; N8-G10 WeakPolarHBondContact OD1-CA 2.96Å; N8-G10 PolarHBondContact OD1-N 2.92Å; N8-K15 HydrophobicContact CB-CB 4.49Å; N8-I329 HydrophobicContact CB-CD1 4.23Å; N8-I329 HydrophobicContact CB-CG1 4.1Å; N8-S330 WeakPolarHBondContact OD1-CB 3.46Å; N8-S330 PolarHBondContact OD1-OG 3.13Å |
| 9 | F | 98.3 | Very high | 86.4 | Confident | 1 Ų | 1 | 81.4 Ų | 81.4 | 0% | 0.004 | 43% | 0.426 | C | S | . | . | trans | -92.7 | 23.1 | 173.4 | -65.7 | -76.2 | 0 | 0 | 0 | 113.3 | I7 M328 I329 L331 A342 S343 L344 V348 D352 L356 | I7-F9 HydrophobicContact CB-CE2 4.21Å; I7-F9 HydrophobicContact CG2-CD2 4.04Å; I7-F9 HydrophobicContact CG2-CE1 4.24Å; I7-F9 HydrophobicContact CG2-CE2 3.41Å; I7-F9 VanDerWaalsContact CG2-CE2 3.41Å; I7-F9 HydrophobicContact CG2-CZ 3.52Å; F9-M328 HydrophobicContact CD2-CB 4.41Å; F9-M328 HydrophobicContact CE2-CB 4.08Å; F9-M328 HydrophobicContact CE2-CG 3.93Å; F9-M328 HydrophobicContact CE2-SD 3.97Å; F9-I329 PolarHBondContact N-O 3.17Å; F9-I329 VanDerWaalsContact N-O 3.09Å; F9-L331 HydrophobicContact CB-CD2 3.77Å; F9-L331 HydrophobicContact CB-CG 4.18Å; F9-L331 HydrophobicContact CD2-CD1 4.14Å; F9-L331 HydrophobicContact CD2-CD2 3.69Å; F9-L331 HydrophobicContact CD2-CG 3.83Å; F9-L331 HydrophobicContact CE2-CD2 4.41Å; F9-L331 HydrophobicContact CG-CD2 3.74Å; F9-L331 HydrophobicContact CG-CG 4.26Å; F9-A342 HydrophobicContact CD1-CB 4.43Å; F9-S343 WeakPolarHBondContact O-CB 3.47Å; F9-S343 PolarHBondContact O-N 3.3Å; F9-S343 PolarHBondContact O-OG 2.84Å; F9-S343 VanDerWaalsContact O-OG 3.13Å; F9-L344 HydrophobicContact CD1-CD2 4.11Å; F9-L344 HydrophobicContact CE1-CD2 3.93Å; F9-V348 HydrophobicContact CD1-CG1 4.47Å; F9-V348 HydrophobicContact CE1-CG1 4.08Å; F9-D352 WeakPolarHBondContact CZ-O 3.09Å; F9-L356 HydrophobicContact CE1-CB 4.44Å; F9-L356 HydrophobicContact CE1-CD2 4.08Å; F9-L356 HydrophobicContact CE2-CB 4.23Å; F9-L356 HydrophobicContact CE2-CD2 4.39Å; F9-L356 HydrophobicContact CZ-CB 3.73Å; F9-L356 HydrophobicContact CZ-CD2 4Å; F9-L356 HydrophobicContact CZ-CG 4.41Å | ||
| 10 | G | 96.6 | Very high | 87 | Confident | 7 Ų | 7 | 77.5 Ų | 77.5 | 7% | 0.072 | 41% | 0.406 | C | S | . | . | trans | -59.3 | 135.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | N8 G12 S330 Y345 | N8-G10 VanDerWaalsContact C-N 3.28Å; N8-G10 PolarHBondContact O-N 3.3Å; N8-G10 WeakPolarHBondContact OD1-CA 2.96Å; N8-G10 PolarHBondContact OD1-N 2.92Å; G10-G12 VanDerWaalsContact C-N 3.31Å; G10-G12 PolarHBondContact O-N 3.32Å; G10-S330 VanDerWaalsContact CA-CB 3.45Å; G10-Y345 WeakPolarHBondContact O-CE2 3.19Å | ||
| 11 | A | 95.6 | Very high | 87.6 | Confident | 16 Ų | 16 | 78 Ų | 78 | 13% | 0.132 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -83.3 | -2.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | T155 S343 Y345 | A11-T155 HydrophobicContact CB-CG2 4.09Å; A11-S343 VanDerWaalsContact CA-OG 3.3Å; A11-S343 WeakPolarHBondContact CA-OG 3.37Å; A11-S343 WeakPolarHBondContact CB-OG 3.5Å; A11-Y345 PolarHBondContact O-OH 2.79Å |
| 12 | G | 91.7 | Very high | 90.3 | Very high | 42 Ų | 42 | 71.2 Ų | 71.2 | 43% | 0.433 | 38% | 0.376 | S | S | . | . | S | Bend | trans | 141.4 | 112.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | G10 | G10-G12 VanDerWaalsContact C-N 3.31Å; G10-G12 PolarHBondContact O-N 3.32Å |
| 13 | P | 95.4 | Very high | 92.8 | Very high | 94 Ų | 94 | 65.1 Ų | 65.1 | 61% | 0.61 | 35% | 0.348 | S | S | * | . | S | Bend | cis | -61.2 | 140 | -4.2 | -22.1 | 34.7 | 0 | 0 | 0 | 112.8 | Q198 | P13-Q198 WeakPolarHBondContact CA-O 3.49Š|
| 14 | A | 96.9 | Very high | 94.6 | Very high | 16 Ų | 16 | 57.1 Ų | 57.1 | 13% | 0.132 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -93.7 | 173.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q198 K199 Y345 | A14-Q198 PolarHBondContact N-O 2.86Å; A14-K199 WeakPolarHBondContact CB-O 3.46Å; A14-Y345 HydrophobicContact CB-CD2 3.43Å; A14-Y345 VanDerWaalsContact CB-CD2 3.43Å; A14-Y345 HydrophobicContact CB-CE2 3.82Å; A14-Y345 HydrophobicContact CB-CG 4.34Å |
| 15 | K | 97.3 | Very high | 96.1 | Very high | 55 Ų | 55 | 56 Ų | 56 | 24% | 0.239 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 139.5 | 167.3 | -176.7 | 173 | 177.6 | 176.3 | 0 | 109.8 | N8 A347 D352 | N8-K15 HydrophobicContact CB-CB 4.49Å; K15-A347 HydrophobicContact CG-CB 4.39Å; K15-A347 VanDerWaalsContact O-CB 3.27Å; K15-A347 WeakPolarHBondContact O-CB 3.22Å; K15-D352 VanDerWaalsContact NZ-CG 3.26Å; K15-D352 IonicContact NZ-OD1 3.37Å; K15-D352 PolarHBondContact NZ-OD1 3.38Å; K15-D352 VanDerWaalsContact NZ-OD1 3.11Å; K15-D352 IonicContact NZ-OD2 3.08Å; K15-D352 PolarHBondContact NZ-OD2 3.09Å |
| 16 | L | 97.9 | Very high | 97 | Very high | 33 Ų | 33 | 56.6 Ų | 56.6 | 17% | 0.173 | 31% | 0.31 | C | S | . | . | trans | -106.1 | 153.9 | 169.3 | -73.5 | 174 | 0 | 0 | 0 | 110 | Q18 L21 I249 V253 | L16-Q18 PolarHBondContact O-N 3.16Å; L16-L21 HydrophobicContact CB-CD1 4.36Å; L16-L21 HydrophobicContact CB-CD2 4.19Å; L16-L21 HydrophobicContact CB-CG 4.14Å; L16-L21 HydrophobicContact CD1-CD2 3.9Å; L16-I249 HydrophobicContact CD1-CG2 4.06Å; L16-V253 HydrophobicContact CD2-CG2 3.77Å | ||
| 17 | P | 97.8 | Very high | 97.1 | Very high | 7 Ų | 7 | 54.9 Ų | 54.9 | 5% | 0.045 | 30% | 0.297 | C | S | . | . | trans | -59.2 | 135 | 173 | -20.8 | 32.8 | 0 | 0 | 0 | 110.8 | S19 V20 L21 W256 A347 | P17-S19 VanDerWaalsContact C-N 3.29Å; P17-S19 PolarHBondContact O-N 3.35Å; P17-V20 HydrophobicContact CB-CB 4.31Å; P17-V20 HydrophobicContact CB-CG2 3.98Å; P17-V20 HydrophobicContact CG-CG2 4.12Å; P17-V20 WeakPolarHBondContact O-CB 3.43Å; P17-V20 PolarHBondContact O-N 3.07Å; P17-V20 VanDerWaalsContact O-N 3.14Å; P17-L21 PolarHBondContact O-N 2.96Å; P17-W256 HydrophobicContact CB-CD2 3.89Å; P17-W256 HydrophobicContact CB-CE3 4.49Å; P17-W256 HydrophobicContact CB-CG 4.05Å; P17-W256 HydrophobicContact CB-CZ2 4.33Å; P17-W256 HydrophobicContact CG-CD2 3.57Å; P17-W256 HydrophobicContact CG-CE3 3.7Å; P17-W256 HydrophobicContact CG-CG 4Å; P17-W256 HydrophobicContact CG-CH2 4.42Å; P17-W256 HydrophobicContact CG-CZ2 4.29Å; P17-W256 HydrophobicContact CG-CZ3 4.14Å; P17-A347 HydrophobicContact CG-CB 3.98Å | ||
| 18 | Q | 96.3 | Very high | 97.1 | Very high | 139 Ų | 139 | 57 Ų | 57 | 65% | 0.65 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -61.9 | -37.7 | -177.3 | -174.9 | 175.8 | 5.7 | 0 | 0 | 112.2 | L16 V20 L21 L22 | L16-Q18 PolarHBondContact O-N 3.16Å; Q18-V20 VanDerWaalsContact C-N 3.29Å; Q18-V20 PolarHBondContact O-N 3.26Å; Q18-L21 PolarHBondContact O-N 3.45Å; Q18-L22 HydrophobicContact CG-CD1 4.14Å; Q18-L22 HydrophobicContact CG-CG 4.41Å; Q18-L22 WeakPolarHBondContact O-CG 3.41Å; Q18-L22 PolarHBondContact O-N 3.29Å |
| 19 | S | 97.9 | Very high | 97.1 | Very high | 64 Ų | 64 | 62 Ų | 62 | 45% | 0.448 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.8 | -36.9 | 176.5 | 51.5 | 0 | 0 | 0 | 0 | 112.7 | P17 L22 Q23 | P17-S19 VanDerWaalsContact C-N 3.29Å; P17-S19 PolarHBondContact O-N 3.35Å; S19-L22 PolarHBondContact O-N 3.25Å; S19-Q23 WeakPolarHBondContact O-CB 3.48Å; S19-Q23 PolarHBondContact O-N 3.29Å |
| 20 | V | 98.4 | Very high | 97.1 | Very high | 3 Ų | 3 | 65.5 Ų | 65.5 | 2% | 0.018 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.6 | -44.3 | 174.8 | 169.7 | 0 | 0 | 0 | 0 | 110.8 | P17 Q18 L22 Q23 A24 L252 V253 W256 | P17-V20 HydrophobicContact CB-CB 4.31Å; P17-V20 HydrophobicContact CB-CG2 3.98Å; P17-V20 HydrophobicContact CG-CG2 4.12Å; P17-V20 WeakPolarHBondContact O-CB 3.43Å; P17-V20 PolarHBondContact O-N 3.07Å; P17-V20 VanDerWaalsContact O-N 3.14Å; Q18-V20 VanDerWaalsContact C-N 3.29Å; Q18-V20 PolarHBondContact O-N 3.26Å; V20-L22 PolarHBondContact O-N 3.3Å; V20-Q23 PolarHBondContact O-N 3.12Å; V20-A24 WeakPolarHBondContact O-CB 3.46Å; V20-A24 PolarHBondContact O-N 2.77Å; V20-L252 HydrophobicContact CB-CB 4.44Å; V20-L252 HydrophobicContact CG1-CB 3.66Å; V20-L252 HydrophobicContact CG1-CD1 4.06Å; V20-L252 HydrophobicContact CG2-CB 4.18Å; V20-V253 HydrophobicContact CG1-CG2 4Å; V20-V253 HydrophobicContact CG2-CG2 4.26Å; V20-W256 HydrophobicContact CG2-CB 3.95Å; V20-W256 HydrophobicContact CG2-CG 4.39Å |
| 21 | L | 98 | Very high | 97.1 | Very high | 88 Ų | 88 | 66.7 Ų | 66.7 | 46% | 0.461 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.3 | -41.8 | 177.9 | -67.8 | 174.9 | 0 | 0 | 0 | 112.1 | L16 P17 Q18 A24 Q25 | L16-L21 HydrophobicContact CB-CD1 4.36Å; L16-L21 HydrophobicContact CB-CD2 4.19Å; L16-L21 HydrophobicContact CB-CG 4.14Å; L16-L21 HydrophobicContact CD1-CD2 3.9Å; P17-L21 PolarHBondContact O-N 2.96Å; Q18-L21 PolarHBondContact O-N 3.45Å; L21-A24 PolarHBondContact O-N 3.26Å; L21-Q25 WeakPolarHBondContact O-CB 3.11Å; L21-Q25 PolarHBondContact O-N 2.92Å |
| 22 | L | 98.1 | Very high | 97 | Very high | 91 Ų | 91 | 71.7 Ų | 71.7 | 48% | 0.476 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.9 | -40.4 | 177.1 | -71.1 | 170.9 | 0 | 0 | 0 | 111.9 | Q18 S19 V20 Q25 K26 | Q18-L22 HydrophobicContact CG-CD1 4.14Å; Q18-L22 HydrophobicContact CG-CG 4.41Å; Q18-L22 WeakPolarHBondContact O-CG 3.41Å; Q18-L22 PolarHBondContact O-N 3.29Å; S19-L22 PolarHBondContact O-N 3.25Å; V20-L22 PolarHBondContact O-N 3.3Å; L22-Q25 PolarHBondContact O-N 3.43Å; L22-K26 WeakPolarHBondContact O-CB 3.44Å; L22-K26 PolarHBondContact O-N 3.41Å |
| 23 | Q | 98.1 | Very high | 97.1 | Very high | 71 Ų | 71 | 72.5 Ų | 72.5 | 33% | 0.332 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.2 | -48.6 | 174.7 | -178.1 | 171.9 | -4.5 | 0 | 0 | 111.4 | S19 V20 Q25 K26 E27 L252 | S19-Q23 WeakPolarHBondContact O-CB 3.48Å; S19-Q23 PolarHBondContact O-N 3.29Å; V20-Q23 PolarHBondContact O-N 3.12Å; Q23-Q25 VanDerWaalsContact C-N 3.28Å; Q23-Q25 PolarHBondContact O-N 3.48Å; Q23-K26 WeakPolarHBondContact O-CB 3.38Å; Q23-K26 PolarHBondContact O-N 3.02Å; Q23-K26 VanDerWaalsContact O-N 3.14Å; Q23-E27 VanDerWaalsContact CG-OE1 3.3Å; Q23-E27 WeakPolarHBondContact CG-OE1 3.27Å; Q23-E27 PolarHBondContact NE2-OE1 3.38Å; Q23-E27 PolarHBondContact O-N 3.22Å; Q23-L252 HydrophobicContact CB-CD1 4.35Å; Q23-L252 HydrophobicContact CG-CD1 4.2Å; Q23-L252 HydrophobicContact CG-CD2 4.41Å |
| 24 | A | 98 | Very high | 97.1 | Very high | 9 Ų | 9 | 71.7 Ų | 71.7 | 7% | 0.074 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -59.8 | -39.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | V20 L21 E27 L28 Y248 I249 L252 | V20-A24 WeakPolarHBondContact O-CB 3.46Å; V20-A24 PolarHBondContact O-N 2.77Å; L21-A24 PolarHBondContact O-N 3.26Å; A24-E27 PolarHBondContact O-N 3.17Å; A24-L28 WeakPolarHBondContact O-CA 3.43Å; A24-L28 WeakPolarHBondContact O-CB 3.33Å; A24-L28 PolarHBondContact O-N 3.43Å; A24-Y248 HydrophobicContact CB-CE1 4.11Å; A24-I249 HydrophobicContact CB-CD1 3.54Å; A24-L252 HydrophobicContact CB-CD1 4.28Å |
| 25 | Q | 98.1 | Very high | 97.1 | Very high | 142 Ų | 142 | 73.5 Ų | 73.5 | 66% | 0.664 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -60.9 | -46.3 | 174.4 | -178.4 | -173.2 | 53.1 | 0 | 0 | 111.6 | L21 L22 Q23 E27 L28 | L21-Q25 WeakPolarHBondContact O-CB 3.11Å; L21-Q25 PolarHBondContact O-N 2.92Å; L22-Q25 PolarHBondContact O-N 3.43Å; Q23-Q25 VanDerWaalsContact C-N 3.28Å; Q23-Q25 PolarHBondContact O-N 3.48Å; Q25-E27 VanDerWaalsContact C-N 3.33Å; Q25-E27 PolarHBondContact O-N 3.46Å; Q25-L28 PolarHBondContact O-N 2.93Å |
| 26 | K | 97.3 | Very high | 97.1 | Very high | 179 Ų | 179 | 74.3 Ų | 74.3 | 78% | 0.778 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -62.6 | -39.4 | 178.9 | -178.7 | -177.4 | 175.4 | -174.3 | 0 | 112.2 | L22 Q23 | L22-K26 WeakPolarHBondContact O-CB 3.44Å; L22-K26 PolarHBondContact O-N 3.41Å; Q23-K26 WeakPolarHBondContact O-CB 3.38Å; Q23-K26 PolarHBondContact O-N 3.02Å; Q23-K26 VanDerWaalsContact O-N 3.14Å |
| 27 | E | 97 | Very high | 97.1 | Very high | 35 Ų | 35 | 73.2 Ų | 73.2 | 16% | 0.164 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -88.7 | -7.4 | -176.3 | -68.3 | 176.9 | -161.5 | 0 | 0 | 113.3 | Q23 A24 Q25 L29 N30 Y31 Y248 | Q23-E27 VanDerWaalsContact CG-OE1 3.3Å; Q23-E27 WeakPolarHBondContact CG-OE1 3.27Å; Q23-E27 PolarHBondContact NE2-OE1 3.38Å; Q23-E27 PolarHBondContact O-N 3.22Å; A24-E27 PolarHBondContact O-N 3.17Å; Q25-E27 VanDerWaalsContact C-N 3.33Å; Q25-E27 PolarHBondContact O-N 3.46Å; E27-L29 VanDerWaalsContact C-N 3.35Å; E27-L29 PolarHBondContact O-N 2.85Å; E27-N30 CarbonylContact O-C 3.57Å; E27-N30 PolarHBondContact O-N 3.33Å; E27-Y31 HydrophobicContact CB-CD2 4.42Å; E27-Y31 PolarHBondContact O-N 3.39Å; E27-Y248 WeakPolarHBondContact CB-OH 3.3Å; E27-Y248 WeakPolarHBondContact OE2-CE2 3.5Å; E27-Y248 PolarHBondContact OE2-OH 3.2Å |
| 28 | L | 97.7 | Very high | 96.9 | Very high | 64 Ų | 64 | 72.9 Ų | 72.9 | 34% | 0.335 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -59.8 | -41.1 | -170.4 | -175.1 | 62 | 0 | 0 | 0 | 113.4 | A24 Q25 S37 L39 F245 | A24-L28 WeakPolarHBondContact O-CA 3.43Å; A24-L28 WeakPolarHBondContact O-CB 3.33Å; A24-L28 PolarHBondContact O-N 3.43Å; Q25-L28 PolarHBondContact O-N 2.93Å; L28-S37 WeakPolarHBondContact O-CA 3.42Å; L28-S37 WeakPolarHBondContact O-CB 3.37Å; L28-S37 PolarHBondContact O-OG 3.05Å; L28-L39 HydrophobicContact CD1-CD1 4.01Å; L28-F245 HydrophobicContact CD1-CE2 4.18Å; L28-F245 HydrophobicContact CD1-CZ 4.44Å |
| 29 | L | 97.8 | Very high | 96.9 | Very high | 146 Ų | 146 | 71.4 Ų | 71.4 | 76% | 0.764 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -95.7 | -15.6 | -178.1 | -60.7 | -179.9 | 0 | 0 | 0 | 113.2 | E27 | E27-L29 VanDerWaalsContact C-N 3.35Å; E27-L29 PolarHBondContact O-N 2.85Å |
| 30 | N | 97.1 | Very high | 96.9 | Very high | 75 Ų | 75 | 74.6 Ų | 74.6 | 40% | 0.401 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -152 | 81.3 | -175.7 | -175.2 | 3.2 | 0 | 0 | 0 | 109.3 | E27 N32 G33 L34 G35 | E27-N30 CarbonylContact O-C 3.57Å; E27-N30 PolarHBondContact O-N 3.33Å; N30-N32 PolarHBondContact O-N 3.37Å; N30-N32 VanDerWaalsContact O-N 3.15Å; N30-G33 WeakPolarHBondContact OD1-CA 3.15Å; N30-G33 PolarHBondContact OD1-N 2.96Å; N30-L34 PolarHBondContact OD1-N 2.64Å; N30-G35 WeakPolarHBondContact OD1-CA 3.36Å; N30-G35 PolarHBondContact OD1-N 3.11Å |
| 31 | Y | 97 | Very high | 96.9 | Very high | 32 Ų | 32 | 75.1 Ų | 75.1 | 13% | 0.125 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | -66 | 116.1 | 178.9 | 177.3 | -103.9 | 0 | 0 | 0 | 109.4 | E27 G33 L34 I36 V38 L41 I51 Y248 | E27-Y31 HydrophobicContact CB-CD2 4.42Å; E27-Y31 PolarHBondContact O-N 3.39Å; Y31-G33 PolarHBondContact O-N 2.72Å; Y31-L34 HydrophobicContact CD1-CD1 4Å; Y31-L34 WeakPolarHBondContact O-CB 3.13Å; Y31-L34 VanDerWaalsContact O-CG 3.29Å; Y31-L34 WeakPolarHBondContact O-CG 3.48Å; Y31-L34 PolarHBondContact O-N 3.05Å; Y31-I36 PolarHBondContact N-O 3.04Å; Y31-V38 HydrophobicContact CD2-CB 4.14Å; Y31-V38 HydrophobicContact CG-CB 4.24Å; Y31-L41 HydrophobicContact CD1-CD1 3.78Å; Y31-L41 HydrophobicContact CE1-CD1 4.06Å; Y31-L41 HydrophobicContact CG-CD1 4.36Å; Y31-I51 HydrophobicContact CE1-CD1 4.11Å; Y31-I51 HydrophobicContact CE2-CD1 4.19Å; Y31-I51 WeakPolarHBondContact OH-CG1 3.38Å; Y31-Y248 HydrophobicContact CD2-CE2 4.2Å; Y31-Y248 HydrophobicContact CE2-CD2 4.18Å; Y31-Y248 AromaticContact CE2-CE2 3.74Å; Y31-Y248 HydrophobicContact CE2-CE2 3.74Å |
| 32 | N | 93 | Very high | 96.8 | Very high | 120 Ų | 120 | 74.1 Ų | 74.1 | 64% | 0.642 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | 47.8 | 35.6 | 175.8 | -162.5 | 39.3 | 0 | 0 | 0 | 115.1 | N30 L34 | N30-N32 PolarHBondContact O-N 3.37Å; N30-N32 VanDerWaalsContact O-N 3.15Å; N32-L34 VanDerWaalsContact C-N 3.34Å; N32-L34 PolarHBondContact O-N 3.21Å |
| 33 | G | 94.7 | Very high | 96.8 | Very high | 60 Ų | 60 | 71.3 Ų | 71.3 | 62% | 0.619 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | 79.7 | 7.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | N30 Y31 G35 | N30-G33 WeakPolarHBondContact OD1-CA 3.15Å; N30-G33 PolarHBondContact OD1-N 2.96Å; Y31-G33 PolarHBondContact O-N 2.72Å; G33-G35 PolarHBondContact O-N 2.81Å |
| 34 | L | 95.6 | Very high | 96.8 | Very high | 76 Ų | 76 | 73.9 Ų | 73.9 | 40% | 0.398 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -73.2 | -11.2 | -179.3 | -63.3 | -179.8 | 0 | 0 | 0 | 114.4 | N30 Y31 N32 I36 L41 D47 | N30-L34 PolarHBondContact OD1-N 2.64Å; Y31-L34 HydrophobicContact CD1-CD1 4Å; Y31-L34 WeakPolarHBondContact O-CB 3.13Å; Y31-L34 VanDerWaalsContact O-CG 3.29Å; Y31-L34 WeakPolarHBondContact O-CG 3.48Å; Y31-L34 PolarHBondContact O-N 3.05Å; N32-L34 VanDerWaalsContact C-N 3.34Å; N32-L34 PolarHBondContact O-N 3.21Å; L34-I36 HydrophobicContact CB-CG1 4.1Å; L34-I36 PolarHBondContact O-N 3.44Å; L34-L41 HydrophobicContact CD1-CD2 4Å; L34-D47 HydrophobicContact CD1-CB 4.12Å |
| 35 | G | 96.4 | Very high | 96.7 | Very high | 55 Ų | 55 | 74.9 Ų | 74.9 | 57% | 0.567 | 40% | 0.402 | S | S | * | . | S | Bend | trans | 76 | 6.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | N30 G33 | N30-G35 WeakPolarHBondContact OD1-CA 3.36Å; N30-G35 PolarHBondContact OD1-N 3.11Å; G33-G35 PolarHBondContact O-N 2.81Å |
| 36 | I | 96.8 | Very high | 96.7 | Very high | 71 Ų | 71 | 71.3 Ų | 71.3 | 36% | 0.364 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -133.1 | 159.8 | 177.1 | 60.9 | 172.6 | 0 | 0 | 0 | 111.2 | Y31 L34 E40 L41 | Y31-I36 PolarHBondContact N-O 3.04Å; L34-I36 HydrophobicContact CB-CG1 4.1Å; L34-I36 PolarHBondContact O-N 3.44Å; I36-E40 HydrophobicContact CB-CB 4.48Å; I36-L41 HydrophobicContact CD1-CD2 3.83Å; I36-L41 HydrophobicContact CG1-CD2 4.26Å |
| 37 | S | 97.6 | Very high | 96.7 | Very high | 10 Ų | 10 | 64.5 Ų | 64.5 | 7% | 0.07 | 37% | 0.369 | C | S | . | . | trans | -71.7 | 151.9 | 177.1 | -172.6 | 0 | 0 | 0 | 0 | 112.3 | L28 L39 E40 L41 | L28-S37 WeakPolarHBondContact O-CA 3.42Å; L28-S37 WeakPolarHBondContact O-CB 3.37Å; L28-S37 PolarHBondContact O-OG 3.05Å; S37-L39 PolarHBondContact O-N 3.29Å; S37-L39 VanDerWaalsContact O-N 3.15Å; S37-L39 PolarHBondContact OG-N 3.41Å; S37-L39 VanDerWaalsContact OG-N 3.14Å; S37-E40 VanDerWaalsContact CB-OE2 3.29Å; S37-E40 WeakPolarHBondContact CB-OE2 3.49Å; S37-E40 PolarHBondContact N-OE2 2.96Å; S37-E40 PolarHBondContact O-N 3.43Å; S37-L41 PolarHBondContact O-N 3.22Å | ||
| 38 | V | 95.2 | Very high | 96.8 | Very high | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.006 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -56.1 | -25.2 | 164.2 | 61 | 0 | 0 | 0 | 0 | 112.5 | Y31 E40 L41 I51 F245 Y248 | Y31-V38 HydrophobicContact CD2-CB 4.14Å; Y31-V38 HydrophobicContact CG-CB 4.24Å; V38-E40 VanDerWaalsContact C-N 3.26Å; V38-E40 PolarHBondContact O-N 3.13Å; V38-L41 HydrophobicContact CB-CD1 4.45Å; V38-L41 HydrophobicContact CG2-CD1 4.17Å; V38-I51 HydrophobicContact CG2-CD1 3.94Å; V38-F245 HydrophobicContact CG1-CD2 3.56Å; V38-F245 HydrophobicContact CG1-CE2 3.8Å; V38-Y248 HydrophobicContact CG1-CD1 4.13Å; V38-Y248 HydrophobicContact CG1-CE1 4.27Å; V38-Y248 HydrophobicContact CG2-CD1 4.21Å; V38-Y248 HydrophobicContact CG2-CD2 4.14Å; V38-Y248 HydrophobicContact CG2-CG 3.82Å |
| 39 | L | 96.3 | Very high | 96.8 | Very high | 108 Ų | 108 | 62 Ų | 62 | 57% | 0.565 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -71.5 | -19.5 | 175.9 | -70.5 | 162.4 | 0 | 0 | 0 | 113.4 | L28 S37 F245 | L28-L39 HydrophobicContact CD1-CD1 4.01Å; S37-L39 PolarHBondContact O-N 3.29Å; S37-L39 VanDerWaalsContact O-N 3.15Å; S37-L39 PolarHBondContact OG-N 3.41Å; S37-L39 VanDerWaalsContact OG-N 3.14Å; L39-F245 HydrophobicContact CD2-CB 3.59Å; L39-F245 HydrophobicContact CD2-CD2 4.1Å; L39-F245 HydrophobicContact CD2-CG 3.83Å; L39-F245 HydrophobicContact CG-CB 4.49Å; L39-F245 HydrophobicContact CG-CD2 4.2Å; L39-F245 HydrophobicContact CG-CG 4.43Å |
| 40 | E | 97.6 | Very high | 96.8 | Very high | 131 Ų | 131 | 61 Ų | 61 | 61% | 0.612 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -102.5 | -4 | -176.4 | -62.8 | 170.6 | 120.7 | 0 | 0 | 112 | I36 S37 V38 S42 | I36-E40 HydrophobicContact CB-CB 4.48Å; S37-E40 VanDerWaalsContact CB-OE2 3.29Å; S37-E40 WeakPolarHBondContact CB-OE2 3.49Å; S37-E40 PolarHBondContact N-OE2 2.96Å; S37-E40 PolarHBondContact O-N 3.43Å; V38-E40 VanDerWaalsContact C-N 3.26Å; V38-E40 PolarHBondContact O-N 3.13Å; E40-S42 PolarHBondContact O-N 3.36Å |
| 41 | L | 96.6 | Very high | 96.9 | Very high | 14 Ų | 14 | 57.9 Ų | 57.9 | 7% | 0.073 | 33% | 0.332 | C | S | . | . | trans | -66.9 | 127 | 176.7 | -62.6 | 179.3 | 0 | 0 | 0 | 110.6 | Y31 L34 I36 S37 V38 H43 D47 I51 | Y31-L41 HydrophobicContact CD1-CD1 3.78Å; Y31-L41 HydrophobicContact CE1-CD1 4.06Å; Y31-L41 HydrophobicContact CG-CD1 4.36Å; L34-L41 HydrophobicContact CD1-CD2 4Å; I36-L41 HydrophobicContact CD1-CD2 3.83Å; I36-L41 HydrophobicContact CG1-CD2 4.26Å; S37-L41 PolarHBondContact O-N 3.22Å; V38-L41 HydrophobicContact CB-CD1 4.45Å; V38-L41 HydrophobicContact CG2-CD1 4.17Å; L41-H43 PolarHBondContact O-N 2.9Å; L41-D47 HydrophobicContact CD1-CB 4.46Å; L41-I51 HydrophobicContact CD1-CD1 4.02Å | ||
| 42 | S | 97.9 | Very high | 97 | Very high | 67 Ų | 67 | 56.6 Ų | 56.6 | 47% | 0.469 | 33% | 0.327 | S | S | . | . | trans | -58.3 | 131 | 164 | 173.5 | 0 | 0 | 0 | 0 | 109.5 | E40 R44 S45 F48 | E40-S42 PolarHBondContact O-N 3.36Å; S42-R44 PolarHBondContact O-N 3.19Å; S42-R44 PolarHBondContact OG-N 2.91Å; S42-S45 WeakPolarHBondContact O-CB 3.4Å; S42-S45 PolarHBondContact O-N 3.08Å; S42-S45 PolarHBondContact O-OG 3.28Å; S42-F48 WeakPolarHBondContact O-CB 3.46Å | ||
| 43 | H | 97 | Very high | 97.2 | Very high | 32 Ų | 32 | 54.8 Ų | 54.8 | 15% | 0.148 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -5.5 | 176.1 | 66.6 | -84.7 | 0 | 0 | 0 | 113.7 | L41 F48 P242 | L41-H43 PolarHBondContact O-N 2.9Å; H43-F48 VanDerWaalsContact CA-CD1 3.46Å; H43-F48 HydrophobicContact CB-CD1 3.85Å; H43-F48 HydrophobicContact CB-CE1 4.03Å; H43-F48 HydrophobicContact CB-CG 4.48Å; H43-F48 WeakPolarHBondContact O-CD1 3.41Å; H43-P242 VanDerWaalsContact CB-CD 3.46Å; H43-P242 HydrophobicContact CB-CG 3.82Å |
| 44 | R | 97.3 | Very high | 97.4 | Very high | 124 Ų | 124 | 56.3 Ų | 56.3 | 47% | 0.468 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -3.9 | 172.8 | -56.1 | -60.5 | -175 | 176.3 | 2.2 | 113.1 | S42 L238 | S42-R44 PolarHBondContact O-N 3.19Å; S42-R44 PolarHBondContact OG-N 2.91Å; R44-L238 VanDerWaalsContact NH1-CB 3.33Å; R44-L238 PolarHBondContact NH1-O 2.98Å; R44-L238 PolarHBondContact NH2-O 3.38Å |
| 45 | S | 97.6 | Very high | 97.6 | Very high | 30 Ų | 30 | 52.8 Ų | 52.8 | 21% | 0.21 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -71.6 | 152.2 | 178.6 | 77.9 | 0 | 0 | 0 | 0 | 110.7 | S42 D47 F48 T49 | S42-S45 WeakPolarHBondContact O-CB 3.4Å; S42-S45 PolarHBondContact O-N 3.08Å; S42-S45 PolarHBondContact O-OG 3.28Å; S45-D47 PolarHBondContact O-N 3.48Å; S45-D47 PolarHBondContact OG-N 3.43Å; S45-F48 PolarHBondContact O-N 3.4Å; S45-F48 PolarHBondContact OG-N 3.23Å; S45-F48 VanDerWaalsContact OG-N 3.16Å; S45-T49 PolarHBondContact O-N 2.8Å; S45-T49 PolarHBondContact O-OG1 2.82Å; S45-T49 VanDerWaalsContact O-OG1 3.08Å |
| 46 | A | 97.5 | Very high | 97.7 | Very high | 67 Ų | 67 | 52.3 Ų | 52.3 | 55% | 0.554 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -57.3 | -32 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | T49 K50 | A46-T49 PolarHBondContact O-N 3.41Å; A46-K50 VanDerWaalsContact O-CG 3.32Å; A46-K50 WeakPolarHBondContact O-CG 3.42Å; A46-K50 PolarHBondContact O-N 2.9Å |
| 47 | D | 97.6 | Very high | 97.8 | Very high | 36 Ų | 36 | 52.3 Ų | 52.3 | 19% | 0.193 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -71.4 | -41.1 | 179.7 | -62.2 | -54.3 | 0 | 0 | 0 | 112.5 | L34 L41 S45 K50 I51 | L34-D47 HydrophobicContact CD1-CB 4.12Å; L41-D47 HydrophobicContact CD1-CB 4.46Å; S45-D47 PolarHBondContact O-N 3.48Å; S45-D47 PolarHBondContact OG-N 3.43Å; D47-K50 WeakPolarHBondContact O-CB 3.28Å; D47-K50 PolarHBondContact O-N 3.06Å; D47-K50 IonicContact OD1-NZ 3.23Å; D47-K50 PolarHBondContact OD1-NZ 3.22Å; D47-I51 PolarHBondContact O-N 3.12Å |
| 48 | F | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -69.5 | -37.1 | 172.8 | -171.7 | -100.8 | 0 | 0 | 0 | 112.1 | S42 H43 S45 K50 I51 I52 L238 P242 C244 I247 | S42-F48 WeakPolarHBondContact O-CB 3.46Å; H43-F48 VanDerWaalsContact CA-CD1 3.46Å; H43-F48 HydrophobicContact CB-CD1 3.85Å; H43-F48 HydrophobicContact CB-CE1 4.03Å; H43-F48 HydrophobicContact CB-CG 4.48Å; H43-F48 WeakPolarHBondContact O-CD1 3.41Å; S45-F48 PolarHBondContact O-N 3.4Å; S45-F48 PolarHBondContact OG-N 3.23Å; S45-F48 VanDerWaalsContact OG-N 3.16Å; F48-K50 PolarHBondContact O-N 2.92Å; F48-I51 HydrophobicContact CD2-CB 4.45Å; F48-I51 HydrophobicContact CD2-CD1 4.2Å; F48-I51 HydrophobicContact CE2-CG2 4.48Å; F48-I51 WeakPolarHBondContact O-CB 3.48Å; F48-I51 PolarHBondContact O-N 2.91Å; F48-I52 HydrophobicContact CE1-CB 4.3Å; F48-I52 HydrophobicContact CE1-CD1 4.37Å; F48-I52 PolarHBondContact O-N 3.21Å; F48-L238 HydrophobicContact CD1-CD2 4.35Å; F48-L238 HydrophobicContact CE1-CD2 3.82Å; F48-P242 HydrophobicContact CE1-CG 3.68Å; F48-P242 HydrophobicContact CZ-CG 3.85Å; F48-C244 HydrophobicContact CD2-CB 4.02Å; F48-C244 VanDerWaalsContact CE2-CA 3.46Å; F48-C244 HydrophobicContact CE2-CB 3.41Å; F48-C244 VanDerWaalsContact CE2-CB 3.41Å; F48-C244 HydrophobicContact CZ-CB 3.93Å; F48-I247 HydrophobicContact CZ-CD1 4.09Å |
| 49 | T | 98.1 | Very high | 98 | Very high | 48 Ų | 48 | 52.2 Ų | 52.2 | 29% | 0.294 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -56.7 | -38.6 | 173 | -59.9 | 0 | 0 | 0 | 0 | 111.7 | S45 A46 I52 N53 | S45-T49 PolarHBondContact O-N 2.8Å; S45-T49 PolarHBondContact O-OG1 2.82Å; S45-T49 VanDerWaalsContact O-OG1 3.08Å; A46-T49 PolarHBondContact O-N 3.41Å; T49-I52 WeakPolarHBondContact O-CG2 3.48Å; T49-N53 WeakPolarHBondContact CG2-ND2 3.24Å; T49-N53 WeakPolarHBondContact O-CB 3.4Å; T49-N53 PolarHBondContact O-N 3.37Å; T49-N53 PolarHBondContact O-ND2 2.84Å; T49-N53 PolarHBondContact O-OD1 3.12Å |
| 50 | K | 98.3 | Very high | 98.1 | Very high | 123 Ų | 123 | 49.5 Ų | 49.5 | 54% | 0.535 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62 | -42.7 | 172.9 | -68.7 | 165.6 | -162.3 | 160.5 | 0 | 112.1 | A46 D47 F48 K54 | A46-K50 VanDerWaalsContact O-CG 3.32Å; A46-K50 WeakPolarHBondContact O-CG 3.42Å; A46-K50 PolarHBondContact O-N 2.9Å; D47-K50 WeakPolarHBondContact O-CB 3.28Å; D47-K50 PolarHBondContact O-N 3.06Å; D47-K50 IonicContact OD1-NZ 3.23Å; D47-K50 PolarHBondContact OD1-NZ 3.22Å; F48-K50 PolarHBondContact O-N 2.92Å; K50-K54 WeakPolarHBondContact O-CB 3.39Å; K50-K54 PolarHBondContact O-N 3.2Å |
| 51 | I | 98.5 | Very high | 98.2 | Very high | 10 Ų | 10 | 48.1 Ų | 48.1 | 5% | 0.051 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.6 | -51.5 | -179.7 | -65.9 | 170.4 | 0 | 0 | 0 | 111 | Y31 V38 L41 D47 F48 S55 I247 Y248 | Y31-I51 HydrophobicContact CE1-CD1 4.11Å; Y31-I51 HydrophobicContact CE2-CD1 4.19Å; Y31-I51 WeakPolarHBondContact OH-CG1 3.38Å; V38-I51 HydrophobicContact CG2-CD1 3.94Å; L41-I51 HydrophobicContact CD1-CD1 4.02Å; D47-I51 PolarHBondContact O-N 3.12Å; F48-I51 HydrophobicContact CD2-CB 4.45Å; F48-I51 HydrophobicContact CD2-CD1 4.2Å; F48-I51 HydrophobicContact CE2-CG2 4.48Å; F48-I51 WeakPolarHBondContact O-CB 3.48Å; F48-I51 PolarHBondContact O-N 2.91Å; I51-S55 WeakPolarHBondContact O-CB 3.27Å; I51-S55 PolarHBondContact O-N 2.88Å; I51-S55 PolarHBondContact O-OG 3.33Å; I51-I247 HydrophobicContact CG2-CG2 4.26Å; I51-Y248 HydrophobicContact CD1-CD2 4.3Å |
| 52 | I | 98.6 | Very high | 98.3 | Very high | 6 Ų | 6 | 48.1 Ų | 48.1 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.7 | -42.3 | -176.6 | -165.1 | 170.1 | 0 | 0 | 0 | 111.4 | F48 T49 K54 S55 E56 F73 L238 I247 | F48-I52 HydrophobicContact CE1-CB 4.3Å; F48-I52 HydrophobicContact CE1-CD1 4.37Å; F48-I52 PolarHBondContact O-N 3.21Å; T49-I52 WeakPolarHBondContact O-CG2 3.48Å; I52-K54 PolarHBondContact O-N 3.44Å; I52-S55 WeakPolarHBondContact O-CB 3.43Å; I52-S55 PolarHBondContact O-N 3.24Å; I52-E56 PolarHBondContact O-N 2.97Å; I52-F73 HydrophobicContact CD1-CD2 3.73Å; I52-F73 HydrophobicContact CD1-CE2 4.31Å; I52-F73 HydrophobicContact CG1-CD2 3.52Å; I52-F73 HydrophobicContact CG1-CE2 3.61Å; I52-F73 HydrophobicContact CG1-CG 4.44Å; I52-L238 HydrophobicContact CD1-CD2 3.79Å; I52-L238 HydrophobicContact CD1-CG 4.36Å; I52-I247 HydrophobicContact CB-CG2 4.4Å; I52-I247 HydrophobicContact CD1-CD1 4.38Å; I52-I247 HydrophobicContact CG1-CG2 4.32Å |
| 53 | N | 98.7 | Very high | 98.3 | Very high | 81 Ų | 81 | 45.2 Ų | 45.2 | 43% | 0.433 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -66.7 | -39.4 | 178 | -68.3 | -1.1 | 0 | 0 | 0 | 112 | T49 S55 E56 S57 | T49-N53 WeakPolarHBondContact CG2-ND2 3.24Å; T49-N53 WeakPolarHBondContact O-CB 3.4Å; T49-N53 PolarHBondContact O-N 3.37Å; T49-N53 PolarHBondContact O-ND2 2.84Å; T49-N53 PolarHBondContact O-OD1 3.12Å; N53-S55 VanDerWaalsContact C-N 3.32Å; N53-S55 PolarHBondContact O-N 3.49Å; N53-E56 PolarHBondContact O-N 3.31Å; N53-S57 WeakPolarHBondContact O-CB 3.31Å; N53-S57 PolarHBondContact O-N 3.22Å |
| 54 | K | 98.7 | Very high | 98.4 | Very high | 93 Ų | 93 | 50.4 Ų | 50.4 | 40% | 0.404 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.4 | -43.8 | 173.7 | -175.7 | -178.3 | -177.1 | -174.5 | 0 | 110.6 | K50 I52 S57 L58 E255 | K50-K54 WeakPolarHBondContact O-CB 3.39Å; K50-K54 PolarHBondContact O-N 3.2Å; I52-K54 PolarHBondContact O-N 3.44Å; K54-S57 PolarHBondContact O-N 2.86Å; K54-L58 HydrophobicContact CG-CD1 4.06Å; K54-L58 WeakPolarHBondContact O-CB 3.33Å; K54-L58 VanDerWaalsContact O-CG 3.3Å; K54-L58 WeakPolarHBondContact O-CG 3.28Å; K54-L58 PolarHBondContact O-N 3.26Å; K54-E255 WeakPolarHBondContact CE-OE1 3.43Å; K54-E255 IonicContact NZ-OE1 2.86Å; K54-E255 PolarHBondContact NZ-OE1 3.44Å; K54-E255 IonicContact NZ-OE2 2.96Å; K54-E255 PolarHBondContact NZ-OE2 2.94Å |
| 55 | S | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.007 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.6 | -43.8 | 178.6 | -57 | 0 | 0 | 0 | 0 | 111.8 | I51 I52 N53 L58 L59 G251 | I51-S55 WeakPolarHBondContact O-CB 3.27Å; I51-S55 PolarHBondContact O-N 2.88Å; I51-S55 PolarHBondContact O-OG 3.33Å; I52-S55 WeakPolarHBondContact O-CB 3.43Å; I52-S55 PolarHBondContact O-N 3.24Å; N53-S55 VanDerWaalsContact C-N 3.32Å; N53-S55 PolarHBondContact O-N 3.49Å; S55-L58 PolarHBondContact O-N 2.84Å; S55-L59 WeakPolarHBondContact O-CG 3.49Å; S55-L59 PolarHBondContact O-N 3.02Å; S55-G251 WeakPolarHBondContact OG-CA 3.46Å |
| 56 | E | 98.8 | Very high | 98.5 | Very high | 45 Ų | 45 | 45.2 Ų | 45.2 | 21% | 0.21 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60 | -50.6 | 173.3 | -177.9 | -174.9 | 169 | 0 | 0 | 111.3 | I52 N53 L58 L59 R60 V71 F73 | I52-E56 PolarHBondContact O-N 2.97Å; N53-E56 PolarHBondContact O-N 3.31Å; E56-L58 VanDerWaalsContact C-N 3.28Å; E56-L58 PolarHBondContact O-N 3.25Å; E56-L59 WeakPolarHBondContact O-CB 3.32Å; E56-L59 PolarHBondContact O-N 3.45Å; E56-L59 VanDerWaalsContact O-N 3.08Å; E56-R60 HydrophobicContact CG-CG 4.44Å; E56-R60 WeakPolarHBondContact O-CG 3.37Å; E56-R60 PolarHBondContact O-N 3.48Å; E56-R60 IonicContact OE1-CZ 3.63Å; E56-R60 IonicContact OE1-NE 2.78Å; E56-R60 PolarHBondContact OE1-NE 3.44Å; E56-R60 IonicContact OE1-NH2 3.55Å; E56-R60 PolarHBondContact OE1-NH2 3.35Å; E56-V71 HydrophobicContact CG-CB 3.95Å; E56-V71 HydrophobicContact CG-CG1 4.36Å; E56-V71 HydrophobicContact CG-CG2 4.27Å; E56-F73 HydrophobicContact CB-CE2 4.15Å; E56-F73 HydrophobicContact CB-CZ 4.18Å |
| 57 | S | 98.9 | Very high | 98.5 | Very high | 71 Ų | 71 | 49 Ų | 49 | 50% | 0.497 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -58.9 | -41.1 | -178.6 | -175.5 | 0 | 0 | 0 | 0 | 111.9 | N53 K54 R60 E61 | N53-S57 WeakPolarHBondContact O-CB 3.31Å; N53-S57 PolarHBondContact O-N 3.22Å; K54-S57 PolarHBondContact O-N 2.86Å; S57-R60 PolarHBondContact O-N 3.47Å; S57-E61 WeakPolarHBondContact O-CB 3.46Å; S57-E61 PolarHBondContact O-N 3.46Å |
| 58 | L | 98.9 | Very high | 98.6 | Very high | 9 Ų | 9 | 51 Ų | 51 | 5% | 0.047 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.3 | -40 | 176 | -74.3 | 168 | 0 | 0 | 0 | 111.8 | K54 S55 E56 E61 L62 L254 E255 K258 | K54-L58 HydrophobicContact CG-CD1 4.06Å; K54-L58 WeakPolarHBondContact O-CB 3.33Å; K54-L58 VanDerWaalsContact O-CG 3.3Å; K54-L58 WeakPolarHBondContact O-CG 3.28Å; K54-L58 PolarHBondContact O-N 3.26Å; S55-L58 PolarHBondContact O-N 2.84Å; E56-L58 VanDerWaalsContact C-N 3.28Å; E56-L58 PolarHBondContact O-N 3.25Å; L58-E61 PolarHBondContact O-N 3.42Å; L58-L62 VanDerWaalsContact O-CB 3.26Å; L58-L62 WeakPolarHBondContact O-CB 3.43Å; L58-L62 WeakPolarHBondContact O-CD1 3.36Å; L58-L62 WeakPolarHBondContact O-CG 3.43Å; L58-L62 PolarHBondContact O-N 3.32Å; L58-L254 HydrophobicContact CB-CB 3.96Å; L58-L254 HydrophobicContact CB-CD1 4.33Å; L58-L254 HydrophobicContact CD1-CB 3.95Å; L58-E255 HydrophobicContact CD1-CB 4.08Å; L58-K258 HydrophobicContact CD2-CB 4.4Å; L58-K258 HydrophobicContact CD2-CD 3.57Å |
| 59 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.5 | -45.1 | 173.7 | -74.3 | 171.1 | 0 | 0 | 0 | 111.3 | S55 E56 E61 L62 L63 I65 V71 F73 F180 L181 V208 L254 | S55-L59 WeakPolarHBondContact O-CG 3.49Å; S55-L59 PolarHBondContact O-N 3.02Å; E56-L59 WeakPolarHBondContact O-CB 3.32Å; E56-L59 PolarHBondContact O-N 3.45Å; E56-L59 VanDerWaalsContact O-N 3.08Å; L59-E61 VanDerWaalsContact C-N 3.33Å; L59-E61 PolarHBondContact O-N 3.17Å; L59-L62 PolarHBondContact O-N 3.41Å; L59-L63 WeakPolarHBondContact O-CB 3.29Å; L59-L63 PolarHBondContact O-N 2.94Å; L59-L63 VanDerWaalsContact O-N 3.08Å; L59-I65 HydrophobicContact CB-CD1 4.07Å; L59-I65 WeakPolarHBondContact O-CD1 3.46Å; L59-V71 HydrophobicContact CD1-CG1 3.64Å; L59-F73 HydrophobicContact CD1-CE1 3.75Å; L59-F73 HydrophobicContact CD1-CZ 3.99Å; L59-F180 HydrophobicContact CD2-CE1 3.73Å; L59-F180 HydrophobicContact CD2-CZ 3.95Å; L59-L181 HydrophobicContact CD2-CD1 4.12Å; L59-V208 HydrophobicContact CD1-CG1 3.9Å; L59-V208 HydrophobicContact CD1-CG2 4.07Å; L59-L254 HydrophobicContact CD1-CD1 4.4Å; L59-L254 HydrophobicContact CD2-CD1 3.93Å; L59-L254 HydrophobicContact CD2-CD2 3.63Å; L59-L254 HydrophobicContact CD2-CG 4.44Å; L59-L254 HydrophobicContact CG-CD1 3.72Å; L59-L254 HydrophobicContact CG-CD2 4.31Å |
| 60 | R | 98.8 | Very high | 98.7 | Very high | 52 Ų | 52 | 52.2 Ų | 52.2 | 20% | 0.196 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.2 | -45.2 | 177.1 | -69.1 | -172.6 | 176 | -81.6 | -1.5 | 111.8 | E56 S57 N64 I65 P66 Y69 V71 | E56-R60 HydrophobicContact CG-CG 4.44Å; E56-R60 WeakPolarHBondContact O-CG 3.37Å; E56-R60 PolarHBondContact O-N 3.48Å; E56-R60 IonicContact OE1-CZ 3.63Å; E56-R60 IonicContact OE1-NE 2.78Å; E56-R60 PolarHBondContact OE1-NE 3.44Å; E56-R60 IonicContact OE1-NH2 3.55Å; E56-R60 PolarHBondContact OE1-NH2 3.35Å; S57-R60 PolarHBondContact O-N 3.47Å; R60-N64 CarbonylContact O-C 3.59Å; R60-N64 WeakPolarHBondContact O-CA 3.3Å; R60-N64 PolarHBondContact O-N 2.93Å; R60-I65 HydrophobicContact CB-CB 4.35Å; R60-I65 HydrophobicContact CG-CB 4.11Å; R60-I65 HydrophobicContact CG-CD1 4.28Å; R60-I65 PolarHBondContact O-N 3.49Å; R60-P66 PolarHBondContact NH1-O 3.32Å; R60-Y69 PolarHBondContact NH1-O 3.38Å; R60-Y69 PolarHBondContact NH2-O 3.05Å; R60-V71 HydrophobicContact CG-CG2 4.43Å |
| 61 | E | 98.5 | Very high | 98.7 | Very high | 101 Ų | 101 | 46.7 Ų | 46.7 | 47% | 0.472 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.4 | -50.8 | 177.6 | -175.2 | -177.8 | 164.2 | 0 | 0 | 112.1 | S57 L58 L59 L63 N64 K258 | S57-E61 WeakPolarHBondContact O-CB 3.46Å; S57-E61 PolarHBondContact O-N 3.46Å; L58-E61 PolarHBondContact O-N 3.42Å; L59-E61 VanDerWaalsContact C-N 3.33Å; L59-E61 PolarHBondContact O-N 3.17Å; E61-L63 VanDerWaalsContact C-N 3.34Å; E61-L63 PolarHBondContact O-N 3.08Å; E61-N64 PolarHBondContact O-N 2.97Å; E61-K258 WeakPolarHBondContact OE1-CD 3.38Å; E61-K258 WeakPolarHBondContact OE1-CE 3.41Å; E61-K258 IonicContact OE1-NZ 2.83Å; E61-K258 PolarHBondContact OE1-NZ 3.11Å; E61-K258 IonicContact OE2-NZ 2.72Å; E61-K258 PolarHBondContact OE2-NZ 2.84Å |
| 62 | L | 98.6 | Very high | 98.7 | Very high | 14 Ų | 14 | 46.3 Ų | 46.3 | 7% | 0.073 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -70.8 | -26.8 | -172.3 | -72.7 | 168.9 | 0 | 0 | 0 | 114.3 | L58 L59 L181 L254 I257 K258 S263 | L58-L62 VanDerWaalsContact O-CB 3.26Å; L58-L62 WeakPolarHBondContact O-CB 3.43Å; L58-L62 WeakPolarHBondContact O-CD1 3.36Å; L58-L62 WeakPolarHBondContact O-CG 3.43Å; L58-L62 PolarHBondContact O-N 3.32Å; L59-L62 PolarHBondContact O-N 3.41Å; L62-L181 HydrophobicContact CB-CD2 3.62Å; L62-L181 HydrophobicContact CD1-CD1 4.14Å; L62-L181 HydrophobicContact CD1-CD2 4.41Å; L62-L254 HydrophobicContact CD1-CB 4.18Å; L62-L254 HydrophobicContact CD1-CD2 3.99Å; L62-I257 HydrophobicContact CD1-CB 4.42Å; L62-I257 HydrophobicContact CD1-CG2 4.26Å; L62-I257 HydrophobicContact CD2-CG2 3.99Å; L62-K258 HydrophobicContact CD2-CB 4.01Å; L62-S263 PolarHBondContact O-OG 3.21Å |
| 63 | L | 98.3 | Very high | 98.7 | Very high | 7 Ų | 7 | 46.3 Ų | 46.3 | 4% | 0.037 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -109.5 | 0.6 | 180 | -67.9 | 171.8 | 0 | 0 | 0 | 113.3 | L59 E61 I65 F180 L181 V187 I210 | L59-L63 WeakPolarHBondContact O-CB 3.29Å; L59-L63 PolarHBondContact O-N 2.94Å; L59-L63 VanDerWaalsContact O-N 3.08Å; E61-L63 VanDerWaalsContact C-N 3.34Å; E61-L63 PolarHBondContact O-N 3.08Å; L63-I65 VanDerWaalsContact C-N 3.26Å; L63-I65 HydrophobicContact CB-CD1 4.32Å; L63-I65 HydrophobicContact CB-CG1 3.72Å; L63-I65 HydrophobicContact CD1-CD1 4.35Å; L63-I65 PolarHBondContact O-N 3.48Å; L63-F180 HydrophobicContact CD1-CE1 4.4Å; L63-F180 HydrophobicContact CD1-CE2 3.52Å; L63-F180 HydrophobicContact CD1-CZ 3.46Å; L63-F180 VanDerWaalsContact CD1-CZ 3.46Å; L63-L181 HydrophobicContact CD1-CD2 4.38Å; L63-L181 HydrophobicContact CD1-CG 4.49Å; L63-L181 HydrophobicContact CD2-CD2 3.5Å; L63-L181 HydrophobicContact CD2-CG 4.11Å; L63-L181 HydrophobicContact CG-CD2 3.66Å; L63-L181 HydrophobicContact CG-CG 4.26Å; L63-V187 HydrophobicContact CB-CG2 4Å; L63-V187 WeakPolarHBondContact O-CG2 3.44Å; L63-I210 HydrophobicContact CD1-CD1 3.71Å |
| 64 | N | 98.3 | Very high | 98.7 | Very high | 141 Ų | 141 | 42.7 Ų | 42.7 | 75% | 0.754 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 49.1 | -172.5 | -170.4 | 41.4 | 0 | 0 | 0 | 111.7 | R60 E61 P66 | R60-N64 CarbonylContact O-C 3.59Å; R60-N64 WeakPolarHBondContact O-CA 3.3Å; R60-N64 PolarHBondContact O-N 2.93Å; E61-N64 PolarHBondContact O-N 2.97Å; N64-P66 VanDerWaalsContact O-CD 3.32Å; N64-P66 WeakPolarHBondContact O-CD 3.5Å |
| 65 | I | 98.8 | Very high | 98.7 | Very high | 8 Ų | 8 | 42.7 Ų | 42.7 | 4% | 0.041 | 22% | 0.22 | C | C | . | . | trans | -68.1 | 121.2 | -175.2 | -56.4 | 176.7 | 0 | 0 | 0 | 108.8 | L59 R60 L63 Y69 V71 V187 I210 | L59-I65 HydrophobicContact CB-CD1 4.07Å; L59-I65 WeakPolarHBondContact O-CD1 3.46Å; R60-I65 HydrophobicContact CB-CB 4.35Å; R60-I65 HydrophobicContact CG-CB 4.11Å; R60-I65 HydrophobicContact CG-CD1 4.28Å; R60-I65 PolarHBondContact O-N 3.49Å; L63-I65 VanDerWaalsContact C-N 3.26Å; L63-I65 HydrophobicContact CB-CD1 4.32Å; L63-I65 HydrophobicContact CB-CG1 3.72Å; L63-I65 HydrophobicContact CD1-CD1 4.35Å; L63-I65 PolarHBondContact O-N 3.48Å; I65-Y69 HydrophobicContact CG2-CG 4.29Å; I65-V71 HydrophobicContact CD1-CG2 3.72Å; I65-V71 HydrophobicContact CG2-CG2 4.39Å; I65-V187 HydrophobicContact CG1-CG2 4.33Å; I65-V187 HydrophobicContact CG2-CG1 4.31Å; I65-I210 HydrophobicContact CD1-CD1 3.63Å; I65-I210 HydrophobicContact CD1-CG1 4.08Å; I65-I210 HydrophobicContact CD1-CG2 4.36Å; I65-I210 HydrophobicContact CG1-CD1 4.33Å; I65-I210 HydrophobicContact CG2-CG2 3.92Å | ||
| 66 | P | 98.7 | Very high | 98.6 | Very high | 36 Ų | 36 | 45.4 Ų | 45.4 | 23% | 0.234 | 25% | 0.249 | C | C | . | . | trans | -62.3 | 156.2 | 179.4 | -22.5 | 34.1 | 0 | 0 | 0 | 113 | R60 N64 N68 Y69 | R60-P66 PolarHBondContact NH1-O 3.32Å; N64-P66 VanDerWaalsContact O-CD 3.32Å; N64-P66 WeakPolarHBondContact O-CD 3.5Å; P66-N68 VanDerWaalsContact CB-OD1 3.25Å; P66-N68 WeakPolarHBondContact CB-OD1 3.3Å; P66-N68 PolarHBondContact O-N 2.94Å; P66-Y69 HydrophobicContact CB-CD2 3.83Å; P66-Y69 HydrophobicContact CB-CE2 4.01Å; P66-Y69 HydrophobicContact CG-CD2 4.05Å; P66-Y69 HydrophobicContact CG-CE2 3.9Å; P66-Y69 PolarHBondContact O-N 3.29Å | ||
| 67 | N | 98.4 | Very high | 98.5 | Very high | 147 Ų | 147 | 44.3 Ų | 44.3 | 79% | 0.786 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -25.8 | -176.4 | -70 | -20.9 | 0 | 0 | 0 | 113.5 | Y69 | N67-Y69 PolarHBondContact O-N 3.44Å; N67-Y69 VanDerWaalsContact O-N 3.13Å |
| 68 | N | 98.7 | Very high | 98.5 | Very high | 77 Ų | 77 | 41.4 Ų | 41.4 | 41% | 0.412 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 24.8 | 177.7 | 69.8 | -51.9 | 0 | 0 | 0 | 113.5 | P66 E213 | P66-N68 VanDerWaalsContact CB-OD1 3.25Å; P66-N68 WeakPolarHBondContact CB-OD1 3.3Å; P66-N68 PolarHBondContact O-N 2.94Å; N68-E213 WeakPolarHBondContact O-CG 3.33Å; N68-E213 PolarHBondContact O-N 3.46Å |
| 69 | Y | 98.9 | Very high | 98.4 | Very high | 3 Ų | 3 | 44.6 Ų | 44.6 | 1% | 0.012 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 143.5 | 175.2 | -73.4 | -105.6 | 0 | 0 | 0 | 110.5 | R60 I65 P66 N67 V187 S188 F190 I210 V211 R212 | R60-Y69 PolarHBondContact NH1-O 3.38Å; R60-Y69 PolarHBondContact NH2-O 3.05Å; I65-Y69 HydrophobicContact CG2-CG 4.29Å; P66-Y69 HydrophobicContact CB-CD2 3.83Å; P66-Y69 HydrophobicContact CB-CE2 4.01Å; P66-Y69 HydrophobicContact CG-CD2 4.05Å; P66-Y69 HydrophobicContact CG-CE2 3.9Å; P66-Y69 PolarHBondContact O-N 3.29Å; N67-Y69 PolarHBondContact O-N 3.44Å; N67-Y69 VanDerWaalsContact O-N 3.13Å; Y69-V187 HydrophobicContact CD1-CG1 4.22Å; Y69-V187 HydrophobicContact CE1-CG1 4.07Å; Y69-V187 PolarHBondContact OH-O 2.97Å; Y69-S188 PolarHBondContact OH-O 2.93Å; Y69-F190 VanDerWaalsContact CE1-O 3.24Å; Y69-F190 WeakPolarHBondContact CE1-O 3.22Å; Y69-F190 PolarHBondContact OH-O 3.13Å; Y69-I210 HydrophobicContact CD1-CG2 3.78Å; Y69-I210 HydrophobicContact CG-CG2 4.3Å; Y69-V211 CarbonylContact C-O 3.57Å; Y69-V211 VanDerWaalsContact CA-O 3.29Å; Y69-V211 WeakPolarHBondContact CA-O 3.46Å; Y69-R212 HydrophobicContact CD1-CB 3.96Å; Y69-R212 HydrophobicContact CD1-CG 4.32Å; Y69-R212 HydrophobicContact CD2-CG 4.28Å; Y69-R212 HydrophobicContact CE1-CB 3.62Å; Y69-R212 HydrophobicContact CE1-CG 3.89Å; Y69-R212 HydrophobicContact CE2-CB 4.47Å; Y69-R212 HydrophobicContact CE2-CG 3.83Å; Y69-R212 WeakPolarHBondContact OH-CD 3.19Å |
| 70 | K | 98.9 | Very high | 98.4 | Very high | 71 Ų | 71 | 45.3 Ų | 45.3 | 31% | 0.309 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 143.7 | 166.2 | -60.1 | -56.7 | -167.1 | -153.1 | 0 | 110.5 | L72 I210 V211 E213 L216 A233 | K70-L72 HydrophobicContact CB-CD2 4.09Å; K70-I210 WeakPolarHBondContact O-CA 3.19Å; K70-V211 HydrophobicContact CB-CG1 4.12Å; K70-V211 PolarHBondContact N-O 3.24Å; K70-V211 PolarHBondContact O-N 3.01Å; K70-E213 HydrophobicContact CD-CG 4.18Å; K70-E213 WeakPolarHBondContact CD-OE1 3.39Å; K70-E213 WeakPolarHBondContact CE-OE1 3.47Å; K70-E213 HydrophobicContact CG-CG 3.9Å; K70-E213 IonicContact NZ-OE1 3.36Å; K70-E213 PolarHBondContact NZ-OE1 2.98Å; K70-L216 HydrophobicContact CG-CD1 3.93Å; K70-A233 HydrophobicContact CB-CB 4.23Å; K70-A233 HydrophobicContact CD-CB 4.43Å; K70-A233 HydrophobicContact CG-CB 3.81Å |
| 71 | V | 98.9 | Very high | 98.4 | Very high | 8 Ų | 8 | 42.8 Ų | 42.8 | 5% | 0.048 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 117.5 | 173.4 | -178.5 | 0 | 0 | 0 | 0 | 107.4 | E56 L59 R60 I65 F73 V208 V209 I210 | E56-V71 HydrophobicContact CG-CB 3.95Å; E56-V71 HydrophobicContact CG-CG1 4.36Å; E56-V71 HydrophobicContact CG-CG2 4.27Å; L59-V71 HydrophobicContact CD1-CG1 3.64Å; R60-V71 HydrophobicContact CG-CG2 4.43Å; I65-V71 HydrophobicContact CD1-CG2 3.72Å; I65-V71 HydrophobicContact CG2-CG2 4.39Å; V71-F73 HydrophobicContact CG1-CZ 4.17Å; V71-V208 HydrophobicContact CG1-CG1 4.2Å; V71-V209 CarbonylContact C-O 3.33Å; V71-V209 WeakPolarHBondContact CA-O 3.37Å; V71-I210 HydrophobicContact CG2-CG1 4.43Å |
| 72 | L | 98.9 | Very high | 98.4 | Very high | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 143.8 | -174.6 | -44.9 | 176.5 | 0 | 0 | 0 | 110.7 | K70 L74 V208 V209 V211 Y229 Q232 A233 S237 | K70-L72 HydrophobicContact CB-CD2 4.09Å; L72-L74 HydrophobicContact CB-CD1 4.49Å; L72-L74 HydrophobicContact CB-CD2 4.05Å; L72-L74 HydrophobicContact CB-CG 4.08Å; L72-V208 CarbonylContact O-C 3.56Å; L72-V208 WeakPolarHBondContact O-CA 3.47Å; L72-V209 HydrophobicContact CB-CB 4.19Å; L72-V209 HydrophobicContact CD1-CB 4.45Å; L72-V209 HydrophobicContact CD1-CG1 4.43Å; L72-V209 PolarHBondContact N-O 3.2Å; L72-V209 PolarHBondContact O-N 3.23Å; L72-V211 HydrophobicContact CD1-CG1 4.01Å; L72-V211 HydrophobicContact CG-CG1 4.4Å; L72-Y229 HydrophobicContact CD1-CD1 3.84Å; L72-Y229 HydrophobicContact CD1-CG 4.15Å; L72-Q232 HydrophobicContact CD1-CB 4.08Å; L72-Q232 HydrophobicContact CD2-CB 4.28Å; L72-A233 HydrophobicContact CD2-CB 4.03Å; L72-S237 VanDerWaalsContact CA-OG 3.27Å; L72-S237 WeakPolarHBondContact CA-OG 3.48Å |
| 73 | F | 98.8 | Very high | 98.4 | Very high | 5 Ų | 5 | 38.8 Ų | 38.8 | 2% | 0.022 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 93.9 | 177.8 | -59.2 | -71.8 | 0 | 0 | 0 | 110 | I52 E56 L59 V71 V206 V208 S237 I247 M250 | I52-F73 HydrophobicContact CD1-CD2 3.73Å; I52-F73 HydrophobicContact CD1-CE2 4.31Å; I52-F73 HydrophobicContact CG1-CD2 3.52Å; I52-F73 HydrophobicContact CG1-CE2 3.61Å; I52-F73 HydrophobicContact CG1-CG 4.44Å; E56-F73 HydrophobicContact CB-CE2 4.15Å; E56-F73 HydrophobicContact CB-CZ 4.18Å; L59-F73 HydrophobicContact CD1-CE1 3.75Å; L59-F73 HydrophobicContact CD1-CZ 3.99Å; V71-F73 HydrophobicContact CG1-CZ 4.17Å; F73-V206 HydrophobicContact CB-CG2 4.08Å; F73-V206 HydrophobicContact CD1-CG2 4.23Å; F73-V208 HydrophobicContact CD1-CG2 4.29Å; F73-V208 HydrophobicContact CE1-CG2 4.27Å; F73-S237 PolarHBondContact N-OG 3.47Å; F73-I247 HydrophobicContact CB-CD1 3.87Å; F73-I247 HydrophobicContact CB-CG1 4.19Å; F73-I247 HydrophobicContact CG-CD1 4.39Å; F73-I247 HydrophobicContact CG-CG1 4.44Å; F73-M250 HydrophobicContact CD1-CE 3.46Å; F73-M250 VanDerWaalsContact CD1-CE 3.46Å; F73-M250 HydrophobicContact CE1-CE 3.28Å; F73-M250 HydrophobicContact CZ-CE 4.47Å |
| 74 | L | 98.6 | Very high | 98.4 | Very high | 5 Ų | 5 | 38.4 Ų | 38.4 | 3% | 0.026 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 158.3 | -170.3 | -52.9 | -173.6 | 0 | 0 | 0 | 112.6 | L72 V206 T207 V209 Y229 Q232 | L72-L74 HydrophobicContact CB-CD1 4.49Å; L72-L74 HydrophobicContact CB-CD2 4.05Å; L72-L74 HydrophobicContact CB-CG 4.08Å; L74-V206 CarbonylContact O-C 3.46Å; L74-T207 PolarHBondContact N-O 3.14Å; L74-T207 PolarHBondContact O-N 3.18Å; L74-V209 HydrophobicContact CD1-CB 4.43Å; L74-V209 HydrophobicContact CD1-CG2 3.79Å; L74-V209 HydrophobicContact CG-CG2 4.36Å; L74-Y229 HydrophobicContact CD1-CD1 4.02Å; L74-Y229 HydrophobicContact CD1-CE1 3.74Å; L74-Q232 HydrophobicContact CD2-CB 3.93Å; L74-Q232 HydrophobicContact CD2-CG 3.59Å |
| 75 | Q | 98.2 | Very high | 98.5 | Very high | 93 Ų | 93 | 31.8 Ų | 31.8 | 44% | 0.435 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -90.4 | -179.8 | 168.6 | -63 | -174.7 | 62.3 | 0 | 0 | 110.8 | T241 P243 | Q75-T241 PolarHBondContact NE2-O 3.14Å; Q75-T241 VanDerWaalsContact NE2-O 3.1Å; Q75-P243 HydrophobicContact CG-CB 4.31Å; Q75-P243 HydrophobicContact CG-CG 3.91Å |
| 76 | G | 96.9 | Very high | 98.5 | Very high | 59 Ų | 59 | 31.4 Ų | 31.4 | 61% | 0.608 | 20% | 0.195 | S | C | * | . | S | Bend | trans | 91.3 | -10.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | G80 | G76-G80 PolarHBondContact O-N 3.4Š|
| 77 | G | 97.8 | Very high | 98.5 | Very high | 22 Ų | 22 | 29.8 Ų | 29.8 | 23% | 0.227 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | 70 | -175.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S79 G80 Q81 T207 | G77-S79 PolarHBondContact O-N 3.19Å; G77-G80 PolarHBondContact O-N 3.12Å; G77-Q81 PolarHBondContact O-N 3.33Å; G77-T207 WeakPolarHBondContact CA-OG1 3.47Å; G77-T207 PolarHBondContact N-OG1 3.47Å |
| 78 | G | 97.2 | Very high | 98.5 | Very high | 10 Ų | 10 | 23 Ų | 23 | 10% | 0.103 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -57.4 | -36.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | G80 Q81 F82 | G78-G80 VanDerWaalsContact C-N 3.33Å; G78-G80 PolarHBondContact O-N 3.21Å; G78-Q81 WeakPolarHBondContact O-CA 3.43Å; G78-Q81 PolarHBondContact O-N 2.71Å; G78-F82 VanDerWaalsContact O-CD1 3.24Å; G78-F82 WeakPolarHBondContact O-CD1 3.48Å; G78-F82 PolarHBondContact O-N 3.03Å; G78-F82 VanDerWaalsContact O-N 3.1Å |
| 79 | S | 98 | Very high | 98.5 | Very high | 75 Ų | 75 | 19.4 Ų | 19.4 | 52% | 0.524 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -62.7 | -37 | 174.6 | -57.3 | 0 | 0 | 0 | 0 | 112.9 | G77 Q81 F82 | G77-S79 PolarHBondContact O-N 3.19Å; S79-Q81 PolarHBondContact O-N 2.73Å; S79-F82 WeakPolarHBondContact O-CB 3.48Å; S79-F82 PolarHBondContact O-N 3.14Å; S79-F82 VanDerWaalsContact O-N 3.14Å |
| 80 | G | 98.4 | Very high | 98.5 | Very high | 15 Ų | 15 | 19.2 Ų | 19.2 | 16% | 0.155 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.5 | -34 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | G76 G77 G78 S83 G84 | G76-G80 PolarHBondContact O-N 3.4Å; G77-G80 PolarHBondContact O-N 3.12Å; G78-G80 VanDerWaalsContact C-N 3.33Å; G78-G80 PolarHBondContact O-N 3.21Å; G80-S83 PolarHBondContact O-N 3Å; G80-G84 PolarHBondContact O-N 2.96Å |
| 81 | Q | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -77.7 | -17.9 | 176.1 | -57.2 | -51.8 | -51.3 | 0 | 0 | 113.5 | G77 G78 S79 S83 G84 V85 F194 T207 V209 Y229 | G77-Q81 PolarHBondContact O-N 3.33Å; G78-Q81 WeakPolarHBondContact O-CA 3.43Å; G78-Q81 PolarHBondContact O-N 2.71Å; S79-Q81 PolarHBondContact O-N 2.73Å; Q81-S83 PolarHBondContact O-N 2.9Å; Q81-G84 PolarHBondContact O-N 2.96Å; Q81-V85 WeakPolarHBondContact O-CB 3.43Å; Q81-V85 VanDerWaalsContact O-CG2 3.3Å; Q81-V85 WeakPolarHBondContact O-CG2 3.43Å; Q81-V85 PolarHBondContact O-N 3.35Å; Q81-F194 HydrophobicContact CB-CB 4.46Å; Q81-F194 HydrophobicContact CB-CD1 4.13Å; Q81-F194 HydrophobicContact CB-CD2 3.57Å; Q81-F194 HydrophobicContact CB-CE1 4.24Å; Q81-F194 HydrophobicContact CB-CE2 3.7Å; Q81-F194 HydrophobicContact CB-CG 3.79Å; Q81-F194 HydrophobicContact CB-CZ 4Å; Q81-F194 HydrophobicContact CG-CB 4.2Å; Q81-F194 HydrophobicContact CG-CD2 3.81Å; Q81-F194 HydrophobicContact CG-CE2 4.38Å; Q81-F194 HydrophobicContact CG-CG 4.01Å; Q81-T207 HydrophobicContact CG-CG2 3.73Å; Q81-V209 HydrophobicContact CG-CG2 4.19Å; Q81-Y229 PolarHBondContact OE1-OH 3.39Å |
| 82 | F | 98.8 | Very high | 98.4 | Very high | 10 Ų | 10 | 18.8 Ų | 18.8 | 4% | 0.044 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.6 | -30.8 | 167.9 | -60.5 | -13.2 | 0 | 0 | 0 | 111.7 | G78 S79 P86 W106 K109 A110 E113 Y149 F194 | G78-F82 VanDerWaalsContact O-CD1 3.24Å; G78-F82 WeakPolarHBondContact O-CD1 3.48Å; G78-F82 PolarHBondContact O-N 3.03Å; G78-F82 VanDerWaalsContact O-N 3.1Å; S79-F82 WeakPolarHBondContact O-CB 3.48Å; S79-F82 PolarHBondContact O-N 3.14Å; S79-F82 VanDerWaalsContact O-N 3.14Å; F82-P86 WeakPolarHBondContact O-CD 3.11Å; F82-P86 WeakPolarHBondContact O-CG 3.49Å; F82-W106 HydrophobicContact CE2-CE3 4.11Å; F82-W106 HydrophobicContact CZ-CB 4.31Å; F82-W106 HydrophobicContact CZ-CE3 4.01Å; F82-K109 HydrophobicContact CD2-CB 4.13Å; F82-K109 HydrophobicContact CE2-CB 3.78Å; F82-A110 HydrophobicContact CB-CB 4.39Å; F82-A110 HydrophobicContact CD1-CB 3.58Å; F82-A110 HydrophobicContact CD2-CB 4.38Å; F82-A110 HydrophobicContact CE1-CB 3.88Å; F82-A110 HydrophobicContact CG-CB 3.87Å; F82-A110 HydrophobicContact CZ-CB 4.4Å; F82-E113 HydrophobicContact CB-CB 3.93Å; F82-E113 HydrophobicContact CB-CG 3.98Å; F82-Y149 WeakPolarHBondContact CE1-OH 3.22Å; F82-F194 HydrophobicContact CD1-CZ 4.1Å; F82-F194 HydrophobicContact CE1-CE2 4.36Å; F82-F194 HydrophobicContact CE1-CZ 4.01Å |
| 83 | S | 98.8 | Very high | 98.3 | Very high | 20 Ų | 20 | 23.8 Ų | 23.8 | 14% | 0.14 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -89.6 | -40.8 | 169.8 | -44.7 | 0 | 0 | 0 | 0 | 111.9 | G80 Q81 V85 P86 L87 E113 | G80-S83 PolarHBondContact O-N 3Å; Q81-S83 PolarHBondContact O-N 2.9Å; S83-V85 PolarHBondContact O-N 3.45Å; S83-P86 VanDerWaalsContact O-CD 3.27Å; S83-P86 WeakPolarHBondContact O-CD 3.15Å; S83-P86 VanDerWaalsContact O-CG 3.3Å; S83-P86 WeakPolarHBondContact O-CG 3.27Å; S83-L87 VanDerWaalsContact O-CB 3.29Å; S83-L87 WeakPolarHBondContact O-CB 3.48Å; S83-L87 WeakPolarHBondContact O-CD1 3.35Å; S83-L87 WeakPolarHBondContact O-CG 3.43Å; S83-L87 PolarHBondContact O-N 2.88Å; S83-L87 VanDerWaalsContact O-N 3.09Å; S83-E113 VanDerWaalsContact OG-CG 3.3Å; S83-E113 WeakPolarHBondContact OG-CG 3.36Å; S83-E113 PolarHBondContact OG-OE1 3.46Å |
| 84 | G | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.8 | -43.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | G80 Q81 L87 N88 | G80-G84 PolarHBondContact O-N 2.96Å; Q81-G84 PolarHBondContact O-N 2.96Å; G84-L87 PolarHBondContact O-N 3.38Å; G84-N88 PolarHBondContact O-N 3.4Å; G84-N88 VanDerWaalsContact O-N 3.14Å; G84-N88 PolarHBondContact O-ND2 3.48Å |
| 85 | V | 98.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.1 | -59.2 | 179.2 | 169 | 0 | 0 | 0 | 0 | 112.2 | Q81 S83 L87 N88 L89 Y147 V173 L192 F194 Y229 | Q81-V85 WeakPolarHBondContact O-CB 3.43Å; Q81-V85 VanDerWaalsContact O-CG2 3.3Å; Q81-V85 WeakPolarHBondContact O-CG2 3.43Å; Q81-V85 PolarHBondContact O-N 3.35Å; S83-V85 PolarHBondContact O-N 3.45Å; V85-L87 VanDerWaalsContact C-N 3.31Å; V85-L87 PolarHBondContact O-N 3.46Å; V85-N88 PolarHBondContact O-N 2.94Å; V85-N88 VanDerWaalsContact O-N 3.17Å; V85-L89 HydrophobicContact CG1-CD1 4.27Å; V85-L89 WeakPolarHBondContact O-CB 3.49Å; V85-L89 PolarHBondContact O-N 2.94Å; V85-Y147 HydrophobicContact CG1-CE1 4.31Å; V85-Y147 HydrophobicContact CG1-CE2 4.03Å; V85-V173 HydrophobicContact CG1-CG1 3.88Å; V85-V173 HydrophobicContact CG1-CG2 4.26Å; V85-V173 HydrophobicContact CG2-CG1 4.09Å; V85-L192 HydrophobicContact CG2-CD1 4.41Å; V85-L192 HydrophobicContact CG2-CD2 3.9Å; V85-F194 HydrophobicContact CG2-CD1 4.24Å; V85-F194 HydrophobicContact CG2-CE1 4.23Å; V85-Y229 PolarHBondContact N-OH 3.44Å |
| 86 | P | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.1 | -38.7 | 179.8 | 20.7 | -31.3 | 0 | 0 | 0 | 112.2 | F82 S83 N88 L89 I90 A114 Y117 Y147 | F82-P86 WeakPolarHBondContact O-CD 3.11Å; F82-P86 WeakPolarHBondContact O-CG 3.49Å; S83-P86 VanDerWaalsContact O-CD 3.27Å; S83-P86 WeakPolarHBondContact O-CD 3.15Å; S83-P86 VanDerWaalsContact O-CG 3.3Å; S83-P86 WeakPolarHBondContact O-CG 3.27Å; P86-N88 PolarHBondContact O-N 3.24Å; P86-L89 PolarHBondContact O-N 3.23Å; P86-I90 HydrophobicContact CB-CB 4.28Å; P86-I90 HydrophobicContact CB-CD1 4.29Å; P86-I90 WeakPolarHBondContact O-CB 3.44Å; P86-I90 WeakPolarHBondContact O-CG2 3.49Å; P86-I90 PolarHBondContact O-N 3.03Å; P86-A114 HydrophobicContact CB-CB 3.99Å; P86-A114 HydrophobicContact CG-CB 3.93Å; P86-Y117 HydrophobicContact CB-CD2 3.85Å; P86-Y117 HydrophobicContact CB-CG 4.39Å; P86-Y117 HydrophobicContact CG-CD2 3.66Å; P86-Y117 HydrophobicContact CG-CE2 4.15Å; P86-Y147 WeakPolarHBondContact CB-OH 3.38Å |
| 87 | L | 98.8 | Very high | 97.8 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.016 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.8 | -29 | 177.4 | -78.8 | 171.2 | 0 | 0 | 0 | 113.6 | S83 G84 V85 Y117 A219 L220 E222 C223 L227 | S83-L87 VanDerWaalsContact O-CB 3.29Å; S83-L87 WeakPolarHBondContact O-CB 3.48Å; S83-L87 WeakPolarHBondContact O-CD1 3.35Å; S83-L87 WeakPolarHBondContact O-CG 3.43Å; S83-L87 PolarHBondContact O-N 2.88Å; S83-L87 VanDerWaalsContact O-N 3.09Å; G84-L87 PolarHBondContact O-N 3.38Å; V85-L87 VanDerWaalsContact C-N 3.31Å; V85-L87 PolarHBondContact O-N 3.46Å; L87-Y117 HydrophobicContact CD1-CE1 4.45Å; L87-Y117 HydrophobicContact CD2-CD1 3.55Å; L87-Y117 HydrophobicContact CD2-CE1 3.4Å; L87-Y117 VanDerWaalsContact CD2-CE1 3.4Å; L87-Y117 HydrophobicContact CD2-CG 4.21Å; L87-Y117 HydrophobicContact CG-CD1 4.18Å; L87-Y117 HydrophobicContact CG-CD2 4.48Å; L87-Y117 HydrophobicContact CG-CE1 3.91Å; L87-Y117 HydrophobicContact CG-CE2 4.22Å; L87-Y117 HydrophobicContact CG-CG 4.45Å; L87-A219 WeakPolarHBondContact O-CA 3.35Å; L87-L220 HydrophobicContact CD2-CD1 4.43Å; L87-L220 PolarHBondContact O-N 3.28Å; L87-E222 HydrophobicContact CD2-CG 4.11Å; L87-C223 HydrophobicContact CB-CB 4.14Å; L87-C223 HydrophobicContact CD2-CB 4.25Å; L87-L227 HydrophobicContact CD1-CD1 3.98Å |
| 88 | N | 98.9 | Very high | 97.8 | Very high | 4 Ų | 4 | 35.2 Ų | 35.2 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -98 | -31.5 | 179.6 | -74.9 | -92 | 0 | 0 | 0 | 113.7 | G84 V85 P86 H218 L227 Y229 | G84-N88 PolarHBondContact O-N 3.4Å; G84-N88 VanDerWaalsContact O-N 3.14Å; G84-N88 PolarHBondContact O-ND2 3.48Å; V85-N88 PolarHBondContact O-N 2.94Å; V85-N88 VanDerWaalsContact O-N 3.17Å; P86-N88 PolarHBondContact O-N 3.24Å; N88-H218 CarbonylContact O-C 3.39Å; N88-L227 PolarHBondContact ND2-O 3.06Å; N88-Y229 HydrophobicContact CB-CD2 3.43Å; N88-Y229 VanDerWaalsContact CB-CD2 3.43Å; N88-Y229 HydrophobicContact CB-CE2 3.6Å; N88-Y229 HydrophobicContact CB-CG 4.27Å; N88-Y229 PolarHBondContact OD1-N 3.5Å |
| 89 | L | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -115.8 | -21.2 | -166.5 | -55.4 | -173.1 | 0 | 0 | 0 | 113.9 | V85 P86 G91 L92 S146 Y147 V173 L192 L215 | V85-L89 HydrophobicContact CG1-CD1 4.27Å; V85-L89 WeakPolarHBondContact O-CB 3.49Å; V85-L89 PolarHBondContact O-N 2.94Å; P86-L89 PolarHBondContact O-N 3.23Å; L89-G91 PolarHBondContact O-N 3.45Å; L89-L92 HydrophobicContact CB-CD1 4.03Å; L89-L92 HydrophobicContact CD2-CD1 4.2Å; L89-L92 WeakPolarHBondContact O-CB 3.36Å; L89-L92 WeakPolarHBondContact O-CD1 3.46Å; L89-L92 WeakPolarHBondContact O-CG 3.47Å; L89-L92 PolarHBondContact O-N 3.01Å; L89-L92 VanDerWaalsContact O-N 3.1Å; L89-S146 VanDerWaalsContact O-CB 3.28Å; L89-S146 WeakPolarHBondContact O-CB 3.26Å; L89-Y147 HydrophobicContact CB-CD1 3.7Å; L89-Y147 HydrophobicContact CB-CE1 4.02Å; L89-V173 HydrophobicContact CD1-CG2 3.82Å; L89-L192 HydrophobicContact CD1-CB 4.23Å; L89-L192 HydrophobicContact CD1-CD1 4.07Å; L89-L215 HydrophobicContact CD2-CB 3.94Å |
| 90 | I | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -66.7 | -24.7 | -174.8 | -152.1 | 161.2 | 0 | 0 | 0 | 111.9 | P86 L92 R96 A98 S146 Y147 L220 | P86-I90 HydrophobicContact CB-CB 4.28Å; P86-I90 HydrophobicContact CB-CD1 4.29Å; P86-I90 WeakPolarHBondContact O-CB 3.44Å; P86-I90 WeakPolarHBondContact O-CG2 3.49Å; P86-I90 PolarHBondContact O-N 3.03Å; I90-L92 VanDerWaalsContact C-N 3.3Å; I90-L92 PolarHBondContact O-N 3.45Å; I90-R96 HydrophobicContact CG1-CB 4.36Å; I90-R96 WeakPolarHBondContact O-CA 3.32Å; I90-A98 HydrophobicContact CD1-CB 4.25Å; I90-A98 HydrophobicContact CG1-CB 4.36Å; I90-S146 WeakPolarHBondContact O-CB 3.43Å; I90-S146 PolarHBondContact O-OG 2.88Å; I90-Y147 HydrophobicContact CB-CE1 4.16Å; I90-Y147 HydrophobicContact CG1-CE1 4.37Å; I90-L220 HydrophobicContact CG2-CD1 3.77Å; I90-L220 HydrophobicContact CG2-CD2 4.44Å; I90-L220 HydrophobicContact CG2-CG 4.34Å |
| 91 | G | 97.4 | Very high | 97.9 | Very high | 28 Ų | 28 | 30.5 Ų | 30.5 | 29% | 0.289 | 15% | 0.151 | S | C | . | . | G | 310 helix | trans | -78.7 | 0.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | L89 K93 | L89-G91 PolarHBondContact O-N 3.45Å; G91-K93 PolarHBondContact O-N 3.35Å |
| 92 | L | 97.6 | Very high | 97.9 | Very high | 41 Ų | 41 | 31 Ų | 31 | 22% | 0.215 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -61.8 | -24.3 | 178 | -71.8 | 169.8 | 0 | 0 | 0 | 113.3 | L89 I90 V171 L215 H218 | L89-L92 HydrophobicContact CB-CD1 4.03Å; L89-L92 HydrophobicContact CD2-CD1 4.2Å; L89-L92 WeakPolarHBondContact O-CB 3.36Å; L89-L92 WeakPolarHBondContact O-CD1 3.46Å; L89-L92 WeakPolarHBondContact O-CG 3.47Å; L89-L92 PolarHBondContact O-N 3.01Å; L89-L92 VanDerWaalsContact O-N 3.1Å; I90-L92 VanDerWaalsContact C-N 3.3Å; I90-L92 PolarHBondContact O-N 3.45Å; L92-V171 HydrophobicContact CD1-CG2 4.27Å; L92-L215 HydrophobicContact CD1-CD2 3.99Å; L92-L215 HydrophobicContact CD2-CD2 4.32Å; L92-H218 HydrophobicContact CD2-CB 3.9Å; L92-H218 VanDerWaalsContact CD2-CD2 3.49Å; L92-H218 WeakPolarHBondContact CD2-CD2 3.46Å |
| 93 | K | 96.8 | Very high | 97.9 | Very high | 107 Ų | 107 | 30.5 Ų | 30.5 | 47% | 0.465 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -125.3 | 147.5 | 175.5 | -57.7 | -67.1 | -178.4 | -177.9 | 0 | 109.6 | G91 D95 R96 S144 S146 | G91-K93 PolarHBondContact O-N 3.35Å; K93-D95 VanDerWaalsContact C-N 3.26Å; K93-D95 PolarHBondContact O-N 3.5Å; K93-R96 PolarHBondContact O-N 3.5Å; K93-R96 VanDerWaalsContact O-N 3.1Å; K93-S144 WeakPolarHBondContact CG-O 3.38Å; K93-S146 WeakPolarHBondContact CB-OG 3.37Å; K93-S146 PolarHBondContact N-OG 3.19Å |
| 94 | E | 93.2 | Very high | 97.9 | Very high | 197 Ų | 197 | 29.5 Ų | 29.5 | 92% | 0.921 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -38 | -177.6 | -65.1 | -174.5 | 166.7 | 0 | 0 | 112.5 | R96 | E94-R96 PolarHBondContact O-N 2.95Å; E94-R96 VanDerWaalsContact O-N 3.14Å |
| 95 | D | 94.1 | Very high | 97.9 | Very high | 110 Ų | 110 | 30.8 Ų | 30.8 | 59% | 0.588 | 15% | 0.152 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -11 | -179.1 | -68.4 | -22.3 | 0 | 0 | 0 | 114.2 | K93 C97 | K93-D95 VanDerWaalsContact C-N 3.26Å; K93-D95 PolarHBondContact O-N 3.5Å; D95-C97 HydrophobicContact CB-CB 4.5Å; D95-C97 PolarHBondContact O-N 2.93Å; D95-C97 VanDerWaalsContact O-N 3.14Å |
| 96 | R | 96.9 | Very high | 97.9 | Very high | 114 Ų | 114 | 33.3 Ų | 33.3 | 43% | 0.43 | 16% | 0.162 | S | C | . | . | trans | 44.3 | 47.2 | -177 | -62.1 | -176 | -178.7 | -167.9 | -0.7 | 113.1 | I90 K93 E94 G118 K119 | I90-R96 HydrophobicContact CG1-CB 4.36Å; I90-R96 WeakPolarHBondContact O-CA 3.32Å; K93-R96 PolarHBondContact O-N 3.5Å; K93-R96 VanDerWaalsContact O-N 3.1Å; E94-R96 PolarHBondContact O-N 2.95Å; E94-R96 VanDerWaalsContact O-N 3.14Å; R96-G118 CarbonylContact O-C 3.52Å; R96-G118 WeakPolarHBondContact O-CA 3.34Å; R96-K119 PolarHBondContact O-N 3.27Å | ||
| 97 | C | 98.1 | Very high | 97.9 | Very high | 4 Ų | 4 | 33.3 Ų | 33.3 | 3% | 0.027 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 140.2 | -179.8 | -171.8 | 0 | 0 | 0 | 0 | 110.5 | D95 K119 A145 S146 | D95-C97 HydrophobicContact CB-CB 4.5Å; D95-C97 PolarHBondContact O-N 2.93Å; D95-C97 VanDerWaalsContact O-N 3.14Å; C97-K119 CarbonylContact C-O 3.48Å; C97-K119 VanDerWaalsContact CA-O 3.23Å; C97-K119 WeakPolarHBondContact CA-O 3.45Å; C97-K119 HydrophobicContact CB-CB 4.32Å; C97-A145 CarbonylContact O-C 3.55Å; C97-A145 WeakPolarHBondContact O-CA 3.44Å; C97-S146 WeakPolarHBondContact O-CB 3.33Å; C97-S146 PolarHBondContact O-N 3.15Å |
| 98 | A | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 135.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | I90 Y100 K119 V120 N121 Y147 | I90-A98 HydrophobicContact CD1-CB 4.25Å; I90-A98 HydrophobicContact CG1-CB 4.36Å; A98-Y100 HydrophobicContact CB-CD2 4.31Å; A98-Y100 HydrophobicContact CB-CE2 3.72Å; A98-K119 PolarHBondContact N-O 3.32Å; A98-V120 WeakPolarHBondContact O-CA 3.4Å; A98-N121 PolarHBondContact O-N 2.97Å; A98-Y147 HydrophobicContact CB-CD1 4.12Å; A98-Y147 HydrophobicContact CB-CD2 4.05Å; A98-Y147 HydrophobicContact CB-CE1 3.65Å; A98-Y147 HydrophobicContact CB-CE2 3.56Å; A98-Y147 HydrophobicContact CB-CG 4.3Å |
| 99 | D | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 139.4 | 177.7 | -81.8 | -8.7 | 0 | 0 | 0 | 110 | N121 I123 N142 A145 Y147 V148 Y149 | D99-N121 CarbonylContact C-O 3.51Å; D99-N121 WeakPolarHBondContact CA-O 3.37Å; D99-N121 VanDerWaalsContact OD1-CB 3.3Å; D99-N121 WeakPolarHBondContact OD1-CB 3.42Å; D99-N121 PolarHBondContact OD1-ND2 3.43Å; D99-I123 HydrophobicContact CB-CG2 3.46Å; D99-I123 VanDerWaalsContact CB-CG2 3.46Å; D99-I123 WeakPolarHBondContact OD1-CG2 3.46Å; D99-N142 PolarHBondContact OD2-N 3.25Å; D99-A145 HydrophobicContact CB-CB 4.32Å; D99-Y147 PolarHBondContact N-O 3.28Å; D99-V148 HydrophobicContact CB-CB 4.38Å; D99-V148 HydrophobicContact CB-CG1 4.39Å; D99-V148 HydrophobicContact CB-CG2 3.98Å; D99-V148 CarbonylContact O-C 3.5Å; D99-V148 WeakPolarHBondContact O-CA 3.49Å; D99-Y149 PolarHBondContact O-N 3.48Å |
| 100 | Y | 98.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 0% | 0.004 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 128.2 | -178.5 | -80.9 | -104.7 | 0 | 0 | 0 | 111.4 | A98 A110 A111 A114 V120 N121 I123 Y147 Y149 | A98-Y100 HydrophobicContact CB-CD2 4.31Å; A98-Y100 HydrophobicContact CB-CE2 3.72Å; Y100-A110 HydrophobicContact CE1-CB 4.02Å; Y100-A111 HydrophobicContact CD1-CB 3.62Å; Y100-A111 HydrophobicContact CE1-CB 4.16Å; Y100-A111 HydrophobicContact CG-CB 3.86Å; Y100-A114 HydrophobicContact CE2-CB 4.01Å; Y100-A114 WeakPolarHBondContact OH-CB 3.48Å; Y100-V120 HydrophobicContact CD2-CG1 3.66Å; Y100-V120 HydrophobicContact CD2-CG2 4.38Å; Y100-V120 HydrophobicContact CE2-CG1 4.21Å; Y100-V120 HydrophobicContact CE2-CG2 4.11Å; Y100-V120 HydrophobicContact CG-CG1 4.16Å; Y100-N121 PolarHBondContact N-O 2.84Å; Y100-I123 PolarHBondContact O-N 3.14Å; Y100-Y147 AromaticContact CE2-CE2 3.86Å; Y100-Y147 HydrophobicContact CE2-CE2 3.86Å; Y100-Y147 AromaticContact CZ-CE2 3.85Å; Y100-Y147 WeakPolarHBondContact OH-CE2 3.48Å; Y100-Y147 PolarHBondContact OH-OH 3.33Å; Y100-Y149 AromaticContact CD1-CD1 3.43Å; Y100-Y149 HydrophobicContact CD1-CD1 3.43Å; Y100-Y149 VanDerWaalsContact CD1-CD1 3.43Å; Y100-Y149 HydrophobicContact CD1-CE1 4.29Å; Y100-Y149 AromaticContact CD1-CG 3.69Å; Y100-Y149 HydrophobicContact CD1-CG 3.69Å; Y100-Y149 AromaticContact CE1-CD1 3.47Å; Y100-Y149 HydrophobicContact CE1-CD1 3.47Å; Y100-Y149 VanDerWaalsContact CE1-CD1 3.47Å; Y100-Y149 AromaticContact CE1-CD2 3.95Å; Y100-Y149 HydrophobicContact CE1-CD2 3.95Å; Y100-Y149 HydrophobicContact CE1-CE1 4.17Å; Y100-Y149 AromaticContact CE1-CG 3.37Å; Y100-Y149 HydrophobicContact CE1-CG 3.37Å; Y100-Y149 HydrophobicContact CG-CD1 4.49Å |
| 101 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 102.3 | 164.5 | -73.1 | 165.4 | 0 | 0 | 0 | 108.9 | S107 I123 W139 V148 Y149 P165 | L101-S107 WeakPolarHBondContact O-CB 3.32Å; L101-I123 HydrophobicContact CD1-CD1 4.47Å; L101-I123 HydrophobicContact CD2-CD1 3.63Å; L101-I123 HydrophobicContact CD2-CG1 3.65Å; L101-I123 HydrophobicContact CG-CD1 3.76Å; L101-I123 HydrophobicContact CG-CG1 4.04Å; L101-W139 HydrophobicContact CD1-CE3 4.36Å; L101-W139 HydrophobicContact CD1-CH2 3.79Å; L101-W139 HydrophobicContact CD1-CZ2 4.23Å; L101-W139 HydrophobicContact CD1-CZ3 3.89Å; L101-W139 HydrophobicContact CD2-CD2 3.68Å; L101-W139 VanDerWaalsContact CD2-CE2 3.49Å; L101-W139 HydrophobicContact CD2-CE3 4.08Å; L101-W139 HydrophobicContact CD2-CG 4.18Å; L101-W139 HydrophobicContact CD2-CH2 4.08Å; L101-W139 HydrophobicContact CD2-CZ2 3.72Å; L101-W139 HydrophobicContact CD2-CZ3 4.27Å; L101-V148 HydrophobicContact CD1-CG1 4.48Å; L101-Y149 PolarHBondContact N-O 3.37Å; L101-P165 HydrophobicContact CD1-CB 4.03Å; L101-P165 HydrophobicContact CD1-CG 3.85Å |
| 102 | V | 98.7 | Very high | 97.9 | Very high | 9 Ų | 9 | 44.4 Ų | 44.4 | 6% | 0.055 | 21% | 0.208 | C | C | . | . | trans | -100.1 | 90.9 | -174.9 | -178.1 | 0 | 0 | 0 | 0 | 110.8 | S107 A108 A111 I122 H124 Y130 | V102-S107 WeakPolarHBondContact CA-OG 3.41Å; V102-A108 HydrophobicContact CG1-CB 3.67Å; V102-A111 HydrophobicContact CG2-CB 4.04Å; V102-I122 HydrophobicContact CB-CG2 4.35Å; V102-I122 HydrophobicContact CG2-CD1 4.19Å; V102-I122 HydrophobicContact CG2-CG1 4.07Å; V102-I122 HydrophobicContact CG2-CG2 4.29Å; V102-H124 PolarHBondContact N-NE2 2.79Å; V102-H124 PolarHBondContact O-CE1 3.04Å; V102-H124 VanDerWaalsContact O-CE1 3.24Å; V102-H124 PolarHBondContact O-NE2 3.09Å; V102-H124 VanDerWaalsContact O-NE2 3.1Å; V102-Y130 HydrophobicContact CG1-CE1 4.08Å | ||
| 103 | T | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -110.2 | 9.6 | -178.3 | 53.3 | 0 | 0 | 0 | 0 | 113.9 | S107 Y130 I133 Y161 | T103-S107 PolarHBondContact N-OG 2.88Å; T103-S107 VanDerWaalsContact N-OG 3.08Å; T103-Y130 VanDerWaalsContact C-CD1 3.46Å; T103-Y130 WeakPolarHBondContact O-CB 3.27Å; T103-I133 HydrophobicContact CG2-CG1 4.34Å; T103-Y161 HydrophobicContact CG2-CE2 4.36Å; T103-Y161 WeakPolarHBondContact CG2-OH 3.38Å; T103-Y161 WeakPolarHBondContact OG1-CE2 3.44Å; T103-Y161 PolarHBondContact OG1-OH 3.07Å | ||
| 104 | G | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -179 | -166 | 177 | 0 | 0 | 0 | 0 | 0 | 115.1 | W106 S107 A108 Y130 E154 H157 | G104-W106 VanDerWaalsContact C-N 3.35Å; G104-W106 PolarHBondContact O-N 3.33Å; G104-S107 PolarHBondContact N-OG 3.32Å; G104-S107 VanDerWaalsContact N-OG 3.07Å; G104-S107 PolarHBondContact O-OG 3.03Å; G104-A108 WeakPolarHBondContact O-CB 3.44Å; G104-A108 PolarHBondContact O-N 3.46Å; G104-A108 VanDerWaalsContact O-N 3.09Å; G104-Y130 VanDerWaalsContact CA-CG 3.44Å; G104-E154 VanDerWaalsContact C-CD 3.48Å; G104-E154 VanDerWaalsContact C-OE1 3.28Å; G104-E154 VanDerWaalsContact CA-OE1 3.28Å; G104-E154 WeakPolarHBondContact CA-OE1 3.48Å; G104-E154 WeakPolarHBondContact CA-OE2 3.4Å; G104-E154 PolarHBondContact N-OE1 3.08Å; G104-H157 WeakPolarHBondContact CA-ND1 3.32Å |
| 105 | T | 97.9 | Very high | 98.3 | Very high | 26 Ų | 26 | 34.7 Ų | 34.7 | 16% | 0.16 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.3 | -36.6 | -174.6 | -64.8 | 0 | 0 | 0 | 0 | 111.8 | K109 E154 H157 | T105-K109 HydrophobicContact CG2-CD 4.19Å; T105-K109 WeakPolarHBondContact O-CB 3.36Å; T105-K109 VanDerWaalsContact O-CG 3.3Å; T105-K109 WeakPolarHBondContact O-CG 3.49Å; T105-K109 PolarHBondContact O-N 3.22Å; T105-K109 VanDerWaalsContact O-N 3.12Å; T105-E154 PolarHBondContact N-OE2 3.42Å; T105-E154 VanDerWaalsContact N-OE2 3.13Å; T105-H157 PolarHBondContact N-CE1 3.47Å; T105-H157 VanDerWaalsContact N-CE1 3.31Å; T105-H157 PolarHBondContact N-ND1 3.42Å; T105-H157 PolarHBondContact OG1-CE1 2.95Å |
| 106 | W | 98.6 | Very high | 98.5 | Very high | 55 Ų | 55 | 35.9 Ų | 35.9 | 21% | 0.208 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -78.1 | -45.3 | -173.5 | -64 | 121.8 | 0 | 0 | 0 | 111.6 | F82 G104 A108 K109 A110 E154 T155 | F82-W106 HydrophobicContact CE2-CE3 4.11Å; F82-W106 HydrophobicContact CZ-CB 4.31Å; F82-W106 HydrophobicContact CZ-CE3 4.01Å; G104-W106 VanDerWaalsContact C-N 3.35Å; G104-W106 PolarHBondContact O-N 3.33Å; W106-A108 VanDerWaalsContact C-N 3.34Å; W106-A108 PolarHBondContact O-N 2.76Å; W106-K109 HydrophobicContact CE3-CD 4.07Å; W106-K109 HydrophobicContact CZ3-CD 4.09Å; W106-K109 PolarHBondContact O-N 3.18Å; W106-A110 WeakPolarHBondContact O-CB 3.32Å; W106-A110 PolarHBondContact O-N 3.44Å; W106-E154 PolarHBondContact N-OE1 3.49Å; W106-E154 PolarHBondContact N-OE2 2.56Å; W106-T155 PolarHBondContact NE1-OG1 3.28Å |
| 107 | S | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.6 | -40.9 | 171.2 | 51.7 | 0 | 0 | 0 | 0 | 112.6 | L101 V102 T103 G104 K109 A110 A111 E154 | L101-S107 WeakPolarHBondContact O-CB 3.32Å; V102-S107 WeakPolarHBondContact CA-OG 3.41Å; T103-S107 PolarHBondContact N-OG 2.88Å; T103-S107 VanDerWaalsContact N-OG 3.08Å; G104-S107 PolarHBondContact N-OG 3.32Å; G104-S107 VanDerWaalsContact N-OG 3.07Å; G104-S107 PolarHBondContact O-OG 3.03Å; S107-K109 PolarHBondContact O-N 2.95Å; S107-A110 PolarHBondContact O-N 3.24Å; S107-A111 WeakPolarHBondContact O-CB 3.36Å; S107-A111 PolarHBondContact O-N 2.91Å; S107-E154 VanDerWaalsContact CB-OE1 3.23Å; S107-E154 WeakPolarHBondContact CB-OE1 3.33Å; S107-E154 PolarHBondContact N-OE1 3.22Å; S107-E154 PolarHBondContact OG-OE1 3.03Å |
| 108 | A | 98.6 | Very high | 98.6 | Very high | 28 Ų | 28 | 33.6 Ų | 33.6 | 23% | 0.231 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.8 | -40.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | V102 G104 W106 K112 | V102-A108 HydrophobicContact CG1-CB 3.67Å; G104-A108 WeakPolarHBondContact O-CB 3.44Å; G104-A108 PolarHBondContact O-N 3.46Å; G104-A108 VanDerWaalsContact O-N 3.09Å; W106-A108 VanDerWaalsContact C-N 3.34Å; W106-A108 PolarHBondContact O-N 2.76Å; A108-K112 WeakPolarHBondContact O-CB 3.29Å; A108-K112 PolarHBondContact O-N 2.82Å |
| 109 | K | 98.8 | Very high | 98.6 | Very high | 105 Ų | 105 | 40.4 Ų | 40.4 | 46% | 0.457 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -67.7 | -39.6 | 174.9 | -77.3 | 178.4 | 177.4 | -175.4 | 0 | 112.4 | F82 T105 W106 S107 K112 E113 | F82-K109 HydrophobicContact CD2-CB 4.13Å; F82-K109 HydrophobicContact CE2-CB 3.78Å; T105-K109 HydrophobicContact CG2-CD 4.19Å; T105-K109 WeakPolarHBondContact O-CB 3.36Å; T105-K109 VanDerWaalsContact O-CG 3.3Å; T105-K109 WeakPolarHBondContact O-CG 3.49Å; T105-K109 PolarHBondContact O-N 3.22Å; T105-K109 VanDerWaalsContact O-N 3.12Å; W106-K109 HydrophobicContact CE3-CD 4.07Å; W106-K109 HydrophobicContact CZ3-CD 4.09Å; W106-K109 PolarHBondContact O-N 3.18Å; S107-K109 PolarHBondContact O-N 2.95Å; K109-K112 PolarHBondContact O-N 2.77Å; K109-E113 WeakPolarHBondContact O-CB 3.06Å; K109-E113 PolarHBondContact O-N 2.87Å |
| 110 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.7 | -45.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | F82 Y100 W106 S107 K112 E113 A114 Y149 | F82-A110 HydrophobicContact CB-CB 4.39Å; F82-A110 HydrophobicContact CD1-CB 3.58Å; F82-A110 HydrophobicContact CD2-CB 4.38Å; F82-A110 HydrophobicContact CE1-CB 3.88Å; F82-A110 HydrophobicContact CG-CB 3.87Å; F82-A110 HydrophobicContact CZ-CB 4.4Å; Y100-A110 HydrophobicContact CE1-CB 4.02Å; W106-A110 WeakPolarHBondContact O-CB 3.32Å; W106-A110 PolarHBondContact O-N 3.44Å; S107-A110 PolarHBondContact O-N 3.24Å; A110-K112 VanDerWaalsContact C-N 3.35Å; A110-K112 PolarHBondContact O-N 3.23Å; A110-E113 PolarHBondContact O-N 2.88Å; A110-A114 PolarHBondContact O-N 3.03Å; A110-A114 VanDerWaalsContact O-N 3.08Å; A110-Y149 HydrophobicContact CB-CD1 4.36Å; A110-Y149 HydrophobicContact CB-CE1 3.61Å; A110-Y149 HydrophobicContact CB-CE2 4.04Å; A110-Y149 VanDerWaalsContact CB-CZ 3.41Å; A110-Y149 WeakPolarHBondContact CB-OH 3.25Å |
| 111 | A | 98.9 | Very high | 98.5 | Very high | 5 Ų | 5 | 44 Ų | 44 | 4% | 0.041 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.5 | -48.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y100 V102 S107 E113 A114 E115 V120 | Y100-A111 HydrophobicContact CD1-CB 3.62Å; Y100-A111 HydrophobicContact CE1-CB 4.16Å; Y100-A111 HydrophobicContact CG-CB 3.86Å; V102-A111 HydrophobicContact CG2-CB 4.04Å; S107-A111 WeakPolarHBondContact O-CB 3.36Å; S107-A111 PolarHBondContact O-N 2.91Å; A111-E113 VanDerWaalsContact C-N 3.31Å; A111-E113 PolarHBondContact O-N 2.86Å; A111-A114 PolarHBondContact O-N 3.21Å; A111-E115 PolarHBondContact O-N 2.78Å; A111-V120 HydrophobicContact CB-CG1 4.05Å |
| 112 | K | 98.8 | Very high | 98.5 | Very high | 131 Ų | 131 | 48.2 Ų | 48.2 | 57% | 0.57 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -62.2 | -36.7 | -179.2 | -175.4 | 58.6 | -175.1 | 170.6 | 0 | 113.4 | A108 K109 A110 E115 | A108-K112 WeakPolarHBondContact O-CB 3.29Å; A108-K112 PolarHBondContact O-N 2.82Å; K109-K112 PolarHBondContact O-N 2.77Å; A110-K112 VanDerWaalsContact C-N 3.35Å; A110-K112 PolarHBondContact O-N 3.23Å; K112-E115 WeakPolarHBondContact CD-OE2 3.32Å; K112-E115 WeakPolarHBondContact CE-OE2 3.49Å; K112-E115 IonicContact NZ-OE2 2.67Å; K112-E115 PolarHBondContact NZ-OE2 2.88Å |
| 113 | E | 98.8 | Very high | 98.5 | Very high | 40 Ų | 40 | 47.8 Ų | 47.8 | 19% | 0.187 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -70.1 | -38.9 | 177.7 | -174.1 | 59.7 | -160.3 | 0 | 0 | 111.7 | F82 S83 K109 A110 A111 E115 K116 | F82-E113 HydrophobicContact CB-CB 3.93Å; F82-E113 HydrophobicContact CB-CG 3.98Å; S83-E113 VanDerWaalsContact OG-CG 3.3Å; S83-E113 WeakPolarHBondContact OG-CG 3.36Å; S83-E113 PolarHBondContact OG-OE1 3.46Å; K109-E113 WeakPolarHBondContact O-CB 3.06Å; K109-E113 PolarHBondContact O-N 2.87Å; A110-E113 PolarHBondContact O-N 2.88Å; A111-E113 VanDerWaalsContact C-N 3.31Å; A111-E113 PolarHBondContact O-N 2.86Å; E113-E115 VanDerWaalsContact C-N 3.28Å; E113-E115 PolarHBondContact O-N 3.03Å; E113-K116 WeakPolarHBondContact O-CB 3.49Å; E113-K116 WeakPolarHBondContact O-CG 3.15Å; E113-K116 PolarHBondContact O-N 2.82Å; E113-K116 IonicContact OE1-NZ 2.71Å; E113-K116 PolarHBondContact OE1-NZ 2.87Å; E113-K116 VanDerWaalsContact OE2-CE 3.27Å; E113-K116 WeakPolarHBondContact OE2-CE 3.44Å; E113-K116 IonicContact OE2-NZ 3.61Å; E113-K116 PolarHBondContact OE2-NZ 2.99Å |
| 114 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.1 | -24.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | P86 Y100 A110 A111 K116 Y117 G118 V120 | P86-A114 HydrophobicContact CB-CB 3.99Å; P86-A114 HydrophobicContact CG-CB 3.93Å; Y100-A114 HydrophobicContact CE2-CB 4.01Å; Y100-A114 WeakPolarHBondContact OH-CB 3.48Å; A110-A114 PolarHBondContact O-N 3.03Å; A110-A114 VanDerWaalsContact O-N 3.08Å; A111-A114 PolarHBondContact O-N 3.21Å; A114-K116 PolarHBondContact O-N 3.34Å; A114-Y117 PolarHBondContact O-N 3.37Å; A114-G118 PolarHBondContact O-N 3.31Å; A114-V120 HydrophobicContact CB-CG2 3.74Å |
| 115 | E | 98.6 | Very high | 98.3 | Very high | 100 Ų | 100 | 52.3 Ų | 52.3 | 47% | 0.467 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -20.5 | 173.4 | -70.8 | 174.8 | -170.2 | 0 | 0 | 113.4 | A111 K112 E113 Y117 V120 | A111-E115 PolarHBondContact O-N 2.78Å; K112-E115 WeakPolarHBondContact CD-OE2 3.32Å; K112-E115 WeakPolarHBondContact CE-OE2 3.49Å; K112-E115 IonicContact NZ-OE2 2.67Å; K112-E115 PolarHBondContact NZ-OE2 2.88Å; E113-E115 VanDerWaalsContact C-N 3.28Å; E113-E115 PolarHBondContact O-N 3.03Å; E115-Y117 VanDerWaalsContact C-N 3.27Å; E115-Y117 PolarHBondContact O-N 3.03Å; E115-V120 HydrophobicContact CG-CB 4.01Å; E115-V120 HydrophobicContact CG-CG2 3.9Å |
| 116 | K | 98.4 | Very high | 98.1 | Very high | 135 Ų | 135 | 60.4 Ų | 60.4 | 59% | 0.587 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -21.8 | 176.1 | -63.1 | 179.4 | -170.3 | 166.4 | 0 | 113.6 | E113 A114 | E113-K116 WeakPolarHBondContact O-CB 3.49Å; E113-K116 WeakPolarHBondContact O-CG 3.15Å; E113-K116 PolarHBondContact O-N 2.82Å; E113-K116 IonicContact OE1-NZ 2.71Å; E113-K116 PolarHBondContact OE1-NZ 2.87Å; E113-K116 VanDerWaalsContact OE2-CE 3.27Å; E113-K116 WeakPolarHBondContact OE2-CE 3.44Å; E113-K116 IonicContact OE2-NZ 3.61Å; E113-K116 PolarHBondContact OE2-NZ 2.99Å; A114-K116 PolarHBondContact O-N 3.34Å |
| 117 | Y | 98.1 | Very high | 97.8 | Very high | 48 Ų | 48 | 59 Ų | 59 | 19% | 0.188 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.3 | -10 | -167.4 | -51 | -67.4 | 0 | 0 | 0 | 113.5 | P86 L87 A114 E115 | P86-Y117 HydrophobicContact CB-CD2 3.85Å; P86-Y117 HydrophobicContact CB-CG 4.39Å; P86-Y117 HydrophobicContact CG-CD2 3.66Å; P86-Y117 HydrophobicContact CG-CE2 4.15Å; L87-Y117 HydrophobicContact CD1-CE1 4.45Å; L87-Y117 HydrophobicContact CD2-CD1 3.55Å; L87-Y117 HydrophobicContact CD2-CE1 3.4Å; L87-Y117 VanDerWaalsContact CD2-CE1 3.4Å; L87-Y117 HydrophobicContact CD2-CG 4.21Å; L87-Y117 HydrophobicContact CG-CD1 4.18Å; L87-Y117 HydrophobicContact CG-CD2 4.48Å; L87-Y117 HydrophobicContact CG-CE1 3.91Å; L87-Y117 HydrophobicContact CG-CE2 4.22Å; L87-Y117 HydrophobicContact CG-CG 4.45Å; A114-Y117 PolarHBondContact O-N 3.37Å; E115-Y117 VanDerWaalsContact C-N 3.27Å; E115-Y117 PolarHBondContact O-N 3.03Å |
| 118 | G | 97.7 | Very high | 97.4 | Very high | 23 Ų | 23 | 67.1 Ų | 67.1 | 24% | 0.237 | 33% | 0.332 | C | S | . | . | S | Bend | trans | 176.4 | -168.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | R96 A114 | R96-G118 CarbonylContact O-C 3.52Å; R96-G118 WeakPolarHBondContact O-CA 3.34Å; A114-G118 PolarHBondContact O-N 3.31Å |
| 119 | K | 98.4 | Very high | 97.2 | Very high | 142 Ų | 142 | 68.7 Ų | 68.7 | 62% | 0.617 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 122.9 | -177.7 | -177.5 | -178.4 | 177.1 | -174.3 | 0 | 110.6 | R96 C97 A98 | R96-K119 PolarHBondContact O-N 3.27Å; C97-K119 CarbonylContact C-O 3.48Å; C97-K119 VanDerWaalsContact CA-O 3.23Å; C97-K119 WeakPolarHBondContact CA-O 3.45Å; C97-K119 HydrophobicContact CB-CB 4.32Å; A98-K119 PolarHBondContact N-O 3.32Å |
| 120 | V | 98.7 | Very high | 97.1 | Very high | 30 Ų | 30 | 67.1 Ų | 67.1 | 18% | 0.182 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 132.2 | 173.5 | 172.7 | 0 | 0 | 0 | 0 | 110.2 | A98 Y100 A111 A114 E115 | A98-V120 WeakPolarHBondContact O-CA 3.4Å; Y100-V120 HydrophobicContact CD2-CG1 3.66Å; Y100-V120 HydrophobicContact CD2-CG2 4.38Å; Y100-V120 HydrophobicContact CE2-CG1 4.21Å; Y100-V120 HydrophobicContact CE2-CG2 4.11Å; Y100-V120 HydrophobicContact CG-CG1 4.16Å; A111-V120 HydrophobicContact CB-CG1 4.05Å; A114-V120 HydrophobicContact CB-CG2 3.74Å; E115-V120 HydrophobicContact CG-CB 4.01Å; E115-V120 HydrophobicContact CG-CG2 3.9Å |
| 121 | N | 98.3 | Very high | 97 | Very high | 48 Ų | 48 | 68.6 Ų | 68.6 | 26% | 0.257 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 121 | 175 | -179.2 | 36.8 | 0 | 0 | 0 | 109.6 | A98 D99 Y100 | A98-N121 PolarHBondContact O-N 2.97Å; D99-N121 CarbonylContact C-O 3.51Å; D99-N121 WeakPolarHBondContact CA-O 3.37Å; D99-N121 VanDerWaalsContact OD1-CB 3.3Å; D99-N121 WeakPolarHBondContact OD1-CB 3.42Å; D99-N121 PolarHBondContact OD1-ND2 3.43Å; Y100-N121 PolarHBondContact N-O 2.84Å |
| 122 | I | 98.5 | Very high | 96.9 | Very high | 87 Ų | 87 | 73 Ų | 73 | 45% | 0.446 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 112.9 | 173 | -60.1 | 175.9 | 0 | 0 | 0 | 106.9 | V102 H124 | V102-I122 HydrophobicContact CB-CG2 4.35Å; V102-I122 HydrophobicContact CG2-CD1 4.19Å; V102-I122 HydrophobicContact CG2-CG1 4.07Å; V102-I122 HydrophobicContact CG2-CG2 4.29Å; I122-H124 VanDerWaalsContact C-N 3.28Å; I122-H124 PolarHBondContact O-N 3.38Å |
| 123 | I | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 34% | 0.339 | C | S | . | . | trans | -85.4 | 6.1 | -164.2 | 64.5 | 172.4 | 0 | 0 | 0 | 114.6 | D99 Y100 L101 W139 T140 L141 V148 | D99-I123 HydrophobicContact CB-CG2 3.46Å; D99-I123 VanDerWaalsContact CB-CG2 3.46Å; D99-I123 WeakPolarHBondContact OD1-CG2 3.46Å; Y100-I123 PolarHBondContact O-N 3.14Å; L101-I123 HydrophobicContact CD1-CD1 4.47Å; L101-I123 HydrophobicContact CD2-CD1 3.63Å; L101-I123 HydrophobicContact CD2-CG1 3.65Å; L101-I123 HydrophobicContact CG-CD1 3.76Å; L101-I123 HydrophobicContact CG-CG1 4.04Å; I123-W139 HydrophobicContact CD1-CB 4.24Å; I123-W139 HydrophobicContact CD1-CG 4.47Å; I123-W139 HydrophobicContact CG1-CB 4.46Å; I123-W139 CarbonylContact O-C 3.45Å; I123-W139 WeakPolarHBondContact O-CA 3.25Å; I123-T140 WeakPolarHBondContact CG2-O 3.44Å; I123-T140 PolarHBondContact O-N 3.34Å; I123-T140 PolarHBondContact O-OG1 3.02Å; I123-L141 HydrophobicContact CD1-CD2 3.39Å; I123-L141 HydrophobicContact CD1-CG 4.12Å; I123-V148 HydrophobicContact CD1-CG1 4.33Å | ||
| 124 | H | 97.8 | Very high | 96.7 | Very high | 14 Ų | 14 | 66.8 Ų | 66.8 | 7% | 0.065 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -131.4 | 159.5 | 178.8 | 64.4 | 77.5 | 0 | 0 | 0 | 110.4 | V102 I122 P134 | V102-H124 PolarHBondContact N-NE2 2.79Å; V102-H124 PolarHBondContact O-CE1 3.04Å; V102-H124 VanDerWaalsContact O-CE1 3.24Å; V102-H124 PolarHBondContact O-NE2 3.09Å; V102-H124 VanDerWaalsContact O-NE2 3.1Å; I122-H124 VanDerWaalsContact C-N 3.28Å; I122-H124 PolarHBondContact O-N 3.38Å; H124-P134 HydrophobicContact CB-CB 3.99Å; H124-P134 HydrophobicContact CB-CG 3.84Å |
| 125 | P | 94.6 | Very high | 96.6 | Very high | 82 Ų | 82 | 71.5 Ų | 71.5 | 53% | 0.532 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -53.2 | 146.1 | 174.2 | -26.7 | 35.3 | 0 | 0 | 0 | 112.2 | L127 | P125-L127 PolarHBondContact O-N 2.85Š|
| 126 | K | 93.1 | Very high | 96.4 | Very high | 196 Ų | 196 | 69.7 Ų | 69.7 | 85% | 0.852 | 36% | 0.357 | S | S | * | . | P | Polyproline II helix | trans | -53.8 | 131 | 178 | -175.5 | 179.2 | 177.8 | -175.7 | 0 | 110.3 | ||
| 127 | L | 93.8 | Very high | 96.3 | Very high | 26 Ų | 26 | 68.3 Ų | 68.3 | 14% | 0.136 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -90.2 | 133.8 | 175.7 | -68.2 | 178.3 | 0 | 0 | 0 | 110.4 | P125 S129 Y130 K132 P134 | P125-L127 PolarHBondContact O-N 2.85Å; L127-S129 VanDerWaalsContact C-N 3.33Å; L127-Y130 HydrophobicContact CD1-CD1 4.29Å; L127-K132 HydrophobicContact CD2-CG 4.23Å; L127-P134 HydrophobicContact CD1-CG 4.24Å; L127-P134 HydrophobicContact CD2-CG 3.99Å; L127-P134 HydrophobicContact CG-CG 4.36Å |
| 128 | D | 90.6 | Very high | 96.2 | Very high | 170 Ų | 170 | 68.2 Ų | 68.2 | 91% | 0.909 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -71.1 | -32 | 172.7 | -61.7 | -41.7 | 0 | 0 | 0 | 111.9 | ||
| 129 | S | 93.4 | Very high | 96.2 | Very high | 61 Ų | 61 | 68.4 Ų | 68.4 | 43% | 0.427 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -150.6 | 156.8 | 174.5 | 66.2 | 0 | 0 | 0 | 0 | 110.8 | L127 T131 | L127-S129 VanDerWaalsContact C-N 3.33Å; S129-T131 PolarHBondContact O-N 3.41Å; S129-T131 VanDerWaalsContact O-N 3.08Å; S129-T131 PolarHBondContact OG-OG1 2.97Å |
| 130 | Y | 96.5 | Very high | 96.2 | Very high | 71 Ų | 71 | 66.1 Ų | 66.1 | 28% | 0.278 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -87.4 | 58.4 | -179 | -62.9 | -51.8 | 0 | 0 | 0 | 112 | V102 T103 G104 L127 H157 V159 | V102-Y130 HydrophobicContact CG1-CE1 4.08Å; T103-Y130 VanDerWaalsContact C-CD1 3.46Å; T103-Y130 WeakPolarHBondContact O-CB 3.27Å; G104-Y130 VanDerWaalsContact CA-CG 3.44Å; L127-Y130 HydrophobicContact CD1-CD1 4.29Å; Y130-H157 AromaticContact CD2-CE1 3.24Å; Y130-H157 WeakPolarHBondContact CD2-CE1 3.25Å; Y130-H157 AromaticContact CD2-ND1 3.92Å; Y130-H157 AromaticContact CD2-NE2 3.49Å; Y130-H157 WeakPolarHBondContact CD2-NE2 3.21Å; Y130-H157 AromaticContact CG-CE1 3.86Å; Y130-H157 VanDerWaalsContact O-CB 3.23Å; Y130-H157 WeakPolarHBondContact O-CB 3.28Å; Y130-V159 WeakPolarHBondContact O-CG2 2.91Å |
| 131 | T | 96.3 | Very high | 96.1 | Very high | 32 Ų | 32 | 66.9 Ų | 66.9 | 20% | 0.196 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -113.9 | -3.7 | -173.9 | 48.5 | 0 | 0 | 0 | 0 | 113.5 | S129 P291 V292 D293 | S129-T131 PolarHBondContact O-N 3.41Å; S129-T131 VanDerWaalsContact O-N 3.08Å; S129-T131 PolarHBondContact OG-OG1 2.97Å; T131-P291 VanDerWaalsContact CB-O 3.23Å; T131-P291 WeakPolarHBondContact CB-O 3.41Å; T131-P291 HydrophobicContact CG2-CB 4.21Å; T131-P291 WeakPolarHBondContact CG2-O 3.39Å; T131-V292 WeakPolarHBondContact O-CA 3.49Å; T131-V292 WeakPolarHBondContact O-CG1 3.41Å; T131-D293 PolarHBondContact O-N 3.12Å |
| 132 | K | 96.9 | Very high | 96 | Very high | 96 Ų | 96 | 66.6 Ų | 66.6 | 42% | 0.417 | 36% | 0.363 | S | S | . | . | trans | -148.3 | 162.4 | -177 | 68.2 | -176.2 | 175.3 | -178.8 | 0 | 112.1 | L127 D293 | L127-K132 HydrophobicContact CD2-CG 4.23Å; K132-D293 HydrophobicContact CB-CB 4.27Å; K132-D293 WeakPolarHBondContact CB-OD2 3.35Å | ||
| 133 | I | 97.9 | Very high | 95.9 | Very high | 28 Ų | 28 | 67.6 Ų | 67.6 | 14% | 0.144 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -100.7 | 122.1 | 165.3 | -60 | 171.5 | 0 | 0 | 0 | 106.7 | T103 W139 V159 Y161 F163 C296 | T103-I133 HydrophobicContact CG2-CG1 4.34Å; I133-W139 HydrophobicContact CG2-CZ2 4.2Å; I133-V159 HydrophobicContact CD1-CG1 3.95Å; I133-V159 HydrophobicContact CG1-CG1 3.55Å; I133-Y161 HydrophobicContact CD1-CD1 3.76Å; I133-Y161 HydrophobicContact CD1-CD2 3.75Å; I133-Y161 HydrophobicContact CD1-CE1 3.96Å; I133-Y161 HydrophobicContact CD1-CE2 3.95Å; I133-Y161 HydrophobicContact CD1-CG 3.65Å; I133-Y161 HydrophobicContact CG1-CE1 4.36Å; I133-Y161 HydrophobicContact CG1-CE2 4.25Å; I133-Y161 HydrophobicContact CG2-CD1 4.25Å; I133-Y161 HydrophobicContact CG2-CE1 3.61Å; I133-F163 HydrophobicContact CG2-CZ 4.32Å; I133-C296 HydrophobicContact CD1-CB 3.64Å; I133-C296 HydrophobicContact CG1-CB 3.89Å |
| 134 | P | 96.4 | Very high | 95.8 | Very high | 13 Ų | 13 | 70.3 Ų | 70.3 | 8% | 0.084 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -56.3 | 144.7 | 174.7 | -21.2 | 29.5 | 0 | 0 | 0 | 111.7 | H124 L127 W139 | H124-P134 HydrophobicContact CB-CB 3.99Å; H124-P134 HydrophobicContact CB-CG 3.84Å; L127-P134 HydrophobicContact CD1-CG 4.24Å; L127-P134 HydrophobicContact CD2-CG 3.99Å; L127-P134 HydrophobicContact CG-CG 4.36Å; P134-W139 PolarHBondContact O-NE1 3.47Å |
| 135 | D | 95.6 | Very high | 95.8 | Very high | 100 Ų | 100 | 69.7 Ų | 69.7 | 54% | 0.535 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 131 | 177.3 | -169.9 | -68.5 | 0 | 0 | 0 | 110.6 | S137 S138 W139 | D135-S137 PolarHBondContact O-N 2.73Å; D135-S137 VanDerWaalsContact O-N 3.11Å; D135-S137 VanDerWaalsContact OD1-CB 3.25Å; D135-S137 WeakPolarHBondContact OD1-CB 3.48Å; D135-S137 PolarHBondContact OD1-N 3.05Å; D135-S137 PolarHBondContact OD1-OG 2.93Å; D135-S138 WeakPolarHBondContact O-CB 3.32Å; D135-S138 PolarHBondContact O-N 2.88Å; D135-S138 PolarHBondContact O-OG 3.46Å; D135-W139 PolarHBondContact O-NE1 3.07Å |
| 136 | P | 96.3 | Very high | 96 | Very high | 61 Ų | 61 | 65.9 Ų | 65.9 | 40% | 0.396 | 37% | 0.367 | S | S | . | . | G | 310 helix | trans | -53.9 | -29.5 | 179.7 | -28.5 | 36.3 | 0 | 0 | 0 | 115.1 | S138 W139 F163 | P136-S138 PolarHBondContact O-N 2.89Å; P136-W139 HydrophobicContact CB-CD2 4.22Å; P136-W139 HydrophobicContact CB-CE3 4.16Å; P136-W139 HydrophobicContact CB-CH2 4.31Å; P136-W139 HydrophobicContact CB-CZ2 4.32Å; P136-W139 HydrophobicContact CB-CZ3 4.19Å; P136-W139 HydrophobicContact CG-CH2 4.11Å; P136-W139 HydrophobicContact CG-CZ2 4.04Å; P136-W139 HydrophobicContact CG-CZ3 4.46Å; P136-W139 WeakPolarHBondContact O-CB 3.49Å; P136-W139 PolarHBondContact O-N 2.99Å; P136-W139 VanDerWaalsContact O-N 3.12Å; P136-F163 HydrophobicContact CG-CE2 4.12Å; P136-F163 HydrophobicContact CG-CZ 3.88Å |
| 137 | S | 95.5 | Very high | 96.3 | Very high | 107 Ų | 107 | 56.5 Ų | 56.5 | 75% | 0.748 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -65.8 | -18.9 | 175.6 | 65.4 | 0 | 0 | 0 | 0 | 113.9 | D135 W139 | D135-S137 PolarHBondContact O-N 2.73Å; D135-S137 VanDerWaalsContact O-N 3.11Å; D135-S137 VanDerWaalsContact OD1-CB 3.25Å; D135-S137 WeakPolarHBondContact OD1-CB 3.48Å; D135-S137 PolarHBondContact OD1-N 3.05Å; D135-S137 PolarHBondContact OD1-OG 2.93Å; S137-W139 VanDerWaalsContact C-N 3.35Å |
| 138 | S | 96.3 | Very high | 96.5 | Very high | 45 Ų | 45 | 55.3 Ų | 55.3 | 32% | 0.315 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -87.1 | -4.2 | 175.7 | 72.3 | 0 | 0 | 0 | 0 | 113.7 | D135 P136 | D135-S138 WeakPolarHBondContact O-CB 3.32Å; D135-S138 PolarHBondContact O-N 2.88Å; D135-S138 PolarHBondContact O-OG 3.46Å; P136-S138 PolarHBondContact O-N 2.89Å |
| 139 | W | 97.6 | Very high | 96.9 | Very high | 27 Ų | 27 | 47.3 Ų | 47.3 | 10% | 0.102 | 28% | 0.277 | C | S | . | . | trans | -81 | 130.1 | -175.9 | -58.8 | -5.7 | 0 | 0 | 0 | 111.5 | L101 I123 I133 P134 D135 P136 S137 Y161 F163 P165 | L101-W139 HydrophobicContact CD1-CE3 4.36Å; L101-W139 HydrophobicContact CD1-CH2 3.79Å; L101-W139 HydrophobicContact CD1-CZ2 4.23Å; L101-W139 HydrophobicContact CD1-CZ3 3.89Å; L101-W139 HydrophobicContact CD2-CD2 3.68Å; L101-W139 VanDerWaalsContact CD2-CE2 3.49Å; L101-W139 HydrophobicContact CD2-CE3 4.08Å; L101-W139 HydrophobicContact CD2-CG 4.18Å; L101-W139 HydrophobicContact CD2-CH2 4.08Å; L101-W139 HydrophobicContact CD2-CZ2 3.72Å; L101-W139 HydrophobicContact CD2-CZ3 4.27Å; I123-W139 HydrophobicContact CD1-CB 4.24Å; I123-W139 HydrophobicContact CD1-CG 4.47Å; I123-W139 HydrophobicContact CG1-CB 4.46Å; I123-W139 CarbonylContact O-C 3.45Å; I123-W139 WeakPolarHBondContact O-CA 3.25Å; I133-W139 HydrophobicContact CG2-CZ2 4.2Å; P134-W139 PolarHBondContact O-NE1 3.47Å; D135-W139 PolarHBondContact O-NE1 3.07Å; P136-W139 HydrophobicContact CB-CD2 4.22Å; P136-W139 HydrophobicContact CB-CE3 4.16Å; P136-W139 HydrophobicContact CB-CH2 4.31Å; P136-W139 HydrophobicContact CB-CZ2 4.32Å; P136-W139 HydrophobicContact CB-CZ3 4.19Å; P136-W139 HydrophobicContact CG-CH2 4.11Å; P136-W139 HydrophobicContact CG-CZ2 4.04Å; P136-W139 HydrophobicContact CG-CZ3 4.46Å; P136-W139 WeakPolarHBondContact O-CB 3.49Å; P136-W139 PolarHBondContact O-N 2.99Å; P136-W139 VanDerWaalsContact O-N 3.12Å; S137-W139 VanDerWaalsContact C-N 3.35Å; W139-Y161 HydrophobicContact CH2-CE1 4.42Å; W139-F163 AromaticContact CH2-CE2 3.64Å; W139-F163 HydrophobicContact CH2-CE2 3.64Å; W139-F163 AromaticContact CH2-CZ 3.77Å; W139-F163 HydrophobicContact CH2-CZ 3.77Å; W139-F163 HydrophobicContact CZ2-CE2 4.43Å; W139-F163 HydrophobicContact CZ2-CZ 4.11Å; W139-F163 HydrophobicContact CZ3-CE2 4.38Å; W139-P165 HydrophobicContact CH2-CB 4.22Å; W139-P165 HydrophobicContact CH2-CG 4.36Å; W139-P165 HydrophobicContact CZ3-CB 3.89Å | ||
| 140 | T | 97.4 | Very high | 97.2 | Very high | 94 Ų | 94 | 44.5 Ų | 44.5 | 58% | 0.577 | 26% | 0.257 | S | S | * | . | trans | -103 | 78.4 | 176.7 | 56.4 | 0 | 0 | 0 | 0 | 110 | I123 | I123-T140 WeakPolarHBondContact CG2-O 3.44Å; I123-T140 PolarHBondContact O-N 3.34Å; I123-T140 PolarHBondContact O-OG1 3.02Å | ||
| 141 | L | 97.1 | Very high | 97.3 | Very high | 46 Ų | 46 | 41.1 Ų | 41.1 | 24% | 0.241 | 24% | 0.244 | C | C | . | . | trans | -68.3 | 136.1 | 176.9 | -71.5 | 166.9 | 0 | 0 | 0 | 111.3 | I123 V148 | I123-L141 HydrophobicContact CD1-CD2 3.39Å; I123-L141 HydrophobicContact CD1-CG 4.12Å; L141-V148 HydrophobicContact CD2-CG1 4.23Å; L141-V148 HydrophobicContact CD2-CG2 3.67Å | ||
| 142 | N | 97 | Very high | 97.4 | Very high | 43 Ų | 43 | 39.7 Ų | 39.7 | 23% | 0.23 | 24% | 0.235 | C | C | . | . | trans | -92.1 | 112.6 | 171.8 | 178.3 | 6.9 | 0 | 0 | 0 | 109.7 | D99 S144 A145 | D99-N142 PolarHBondContact OD2-N 3.25Å; N142-S144 PolarHBondContact O-N 2.81Å; N142-S144 VanDerWaalsContact O-N 3.12Å; N142-S144 PolarHBondContact OD1-N 3.5Å; N142-A145 HydrophobicContact CB-CB 4.17Å; N142-A145 VanDerWaalsContact O-CB 3.28Å; N142-A145 WeakPolarHBondContact O-CB 3.42Å; N142-A145 PolarHBondContact O-N 2.92Å | ||
| 143 | P | 95.8 | Very high | 97.5 | Very high | 108 Ų | 108 | 35.1 Ų | 35.1 | 70% | 0.701 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -17.5 | 179.9 | 27.6 | -35.3 | 0 | 0 | 0 | 113.5 | ||
| 144 | S | 96.1 | Very high | 97.6 | Very high | 56 Ų | 56 | 33.8 Ų | 33.8 | 39% | 0.392 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 4.4 | 175 | -58.4 | 0 | 0 | 0 | 0 | 113.4 | K93 N142 | K93-S144 WeakPolarHBondContact CG-O 3.38Å; N142-S144 PolarHBondContact O-N 2.81Å; N142-S144 VanDerWaalsContact O-N 3.12Å; N142-S144 PolarHBondContact OD1-N 3.5Å |
| 145 | A | 98.4 | Very high | 97.7 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.008 | 21% | 0.205 | C | C | . | . | trans | -65.5 | 143.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111 | C97 D99 N142 Y147 V170 | C97-A145 CarbonylContact O-C 3.55Å; C97-A145 WeakPolarHBondContact O-CA 3.44Å; D99-A145 HydrophobicContact CB-CB 4.32Å; N142-A145 HydrophobicContact CB-CB 4.17Å; N142-A145 VanDerWaalsContact O-CB 3.28Å; N142-A145 WeakPolarHBondContact O-CB 3.42Å; N142-A145 PolarHBondContact O-N 2.92Å; A145-Y147 VanDerWaalsContact C-N 3.33Å; A145-V170 HydrophobicContact CB-CG1 4.21Å; A145-V170 WeakPolarHBondContact O-CG1 3.26Å | ||
| 146 | S | 98.7 | Very high | 97.8 | Very high | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.014 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -66.9 | -36.7 | 173.7 | -63.7 | 0 | 0 | 0 | 0 | 111.8 | L89 I90 K93 C97 | L89-S146 VanDerWaalsContact O-CB 3.28Å; L89-S146 WeakPolarHBondContact O-CB 3.26Å; I90-S146 WeakPolarHBondContact O-CB 3.43Å; I90-S146 PolarHBondContact O-OG 2.88Å; K93-S146 WeakPolarHBondContact CB-OG 3.37Å; K93-S146 PolarHBondContact N-OG 3.19Å; C97-S146 WeakPolarHBondContact O-CB 3.33Å; C97-S146 PolarHBondContact O-N 3.15Å |
| 147 | Y | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 161.7 | 173.2 | 60.8 | -92.8 | 0 | 0 | 0 | 111.8 | V85 P86 L89 I90 A98 D99 Y100 A145 V171 V173 | V85-Y147 HydrophobicContact CG1-CE1 4.31Å; V85-Y147 HydrophobicContact CG1-CE2 4.03Å; P86-Y147 WeakPolarHBondContact CB-OH 3.38Å; L89-Y147 HydrophobicContact CB-CD1 3.7Å; L89-Y147 HydrophobicContact CB-CE1 4.02Å; I90-Y147 HydrophobicContact CB-CE1 4.16Å; I90-Y147 HydrophobicContact CG1-CE1 4.37Å; A98-Y147 HydrophobicContact CB-CD1 4.12Å; A98-Y147 HydrophobicContact CB-CD2 4.05Å; A98-Y147 HydrophobicContact CB-CE1 3.65Å; A98-Y147 HydrophobicContact CB-CE2 3.56Å; A98-Y147 HydrophobicContact CB-CG 4.3Å; D99-Y147 PolarHBondContact N-O 3.28Å; Y100-Y147 AromaticContact CE2-CE2 3.86Å; Y100-Y147 HydrophobicContact CE2-CE2 3.86Å; Y100-Y147 AromaticContact CZ-CE2 3.85Å; Y100-Y147 WeakPolarHBondContact OH-CE2 3.48Å; Y100-Y147 PolarHBondContact OH-OH 3.33Å; A145-Y147 VanDerWaalsContact C-N 3.33Å; Y147-V171 CarbonylContact C-O 3.38Å; Y147-V171 WeakPolarHBondContact CA-O 3.3Å; Y147-V171 WeakPolarHBondContact CB-O 3.46Å; Y147-V173 HydrophobicContact CD2-CB 4.36Å; Y147-V173 HydrophobicContact CD2-CG2 3.93Å; Y147-V173 HydrophobicContact CG-CG2 4Å |
| 148 | V | 98.9 | Very high | 98 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.006 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 126.3 | 165.5 | -177.4 | 0 | 0 | 0 | 0 | 108.1 | D99 L101 I123 L141 T167 V170 V171 L172 V173 | D99-V148 HydrophobicContact CB-CB 4.38Å; D99-V148 HydrophobicContact CB-CG1 4.39Å; D99-V148 HydrophobicContact CB-CG2 3.98Å; D99-V148 CarbonylContact O-C 3.5Å; D99-V148 WeakPolarHBondContact O-CA 3.49Å; L101-V148 HydrophobicContact CD1-CG1 4.48Å; I123-V148 HydrophobicContact CD1-CG1 4.33Å; L141-V148 HydrophobicContact CD2-CG1 4.23Å; L141-V148 HydrophobicContact CD2-CG2 3.67Å; V148-T167 HydrophobicContact CB-CG2 3.83Å; V148-T167 HydrophobicContact CG1-CG2 4.23Å; V148-T167 HydrophobicContact CG2-CG2 3.81Å; V148-V170 HydrophobicContact CG2-CB 4.15Å; V148-V170 HydrophobicContact CG2-CG1 3.86Å; V148-V171 PolarHBondContact N-O 3.49Å; V148-L172 HydrophobicContact CB-CD1 4.35Å; V148-L172 HydrophobicContact CG1-CD1 4.41Å; V148-V173 PolarHBondContact O-N 3.12Å |
| 149 | Y | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 0% | 0.004 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 139.4 | 178.7 | 178 | -76.7 | 0 | 0 | 0 | 111.5 | F82 D99 Y100 L101 A110 V173 D175 F194 | F82-Y149 WeakPolarHBondContact CE1-OH 3.22Å; D99-Y149 PolarHBondContact O-N 3.48Å; Y100-Y149 AromaticContact CD1-CD1 3.43Å; Y100-Y149 HydrophobicContact CD1-CD1 3.43Å; Y100-Y149 VanDerWaalsContact CD1-CD1 3.43Å; Y100-Y149 HydrophobicContact CD1-CE1 4.29Å; Y100-Y149 AromaticContact CD1-CG 3.69Å; Y100-Y149 HydrophobicContact CD1-CG 3.69Å; Y100-Y149 AromaticContact CE1-CD1 3.47Å; Y100-Y149 HydrophobicContact CE1-CD1 3.47Å; Y100-Y149 VanDerWaalsContact CE1-CD1 3.47Å; Y100-Y149 AromaticContact CE1-CD2 3.95Å; Y100-Y149 HydrophobicContact CE1-CD2 3.95Å; Y100-Y149 HydrophobicContact CE1-CE1 4.17Å; Y100-Y149 AromaticContact CE1-CG 3.37Å; Y100-Y149 HydrophobicContact CE1-CG 3.37Å; Y100-Y149 HydrophobicContact CG-CD1 4.49Å; L101-Y149 PolarHBondContact N-O 3.37Å; A110-Y149 HydrophobicContact CB-CD1 4.36Å; A110-Y149 HydrophobicContact CB-CE1 3.61Å; A110-Y149 HydrophobicContact CB-CE2 4.04Å; A110-Y149 VanDerWaalsContact CB-CZ 3.41Å; A110-Y149 WeakPolarHBondContact CB-OH 3.25Å; Y149-V173 WeakPolarHBondContact CA-O 3.26Å; Y149-V173 HydrophobicContact CD2-CB 4.25Å; Y149-V173 HydrophobicContact CD2-CG1 3.82Å; Y149-V173 HydrophobicContact CE2-CG1 4.33Å; Y149-D175 WeakPolarHBondContact OH-CB 3.03Å; Y149-F194 AromaticContact CE2-CE1 3.81Å; Y149-F194 HydrophobicContact CE2-CE1 3.81Å; Y149-F194 HydrophobicContact CE2-CZ 4.18Å |
| 150 | Y | 98.9 | Very high | 98.2 | Very high | 2 Ų | 2 | 18.8 Ų | 18.8 | 1% | 0.008 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 156.5 | 163.5 | 79.7 | -67.3 | 0 | 0 | 0 | 112.9 | C152 Y161 P165 L172 V173 S174 D175 F190 | Y150-C152 HydrophobicContact CD2-CB 4.44Å; Y150-C152 HydrophobicContact CE2-CB 3.8Å; Y150-Y161 HydrophobicContact CD2-CD1 4.01Å; Y150-Y161 AromaticContact CD2-CD2 3.71Å; Y150-Y161 HydrophobicContact CD2-CD2 3.71Å; Y150-Y161 HydrophobicContact CD2-CE1 4.09Å; Y150-Y161 AromaticContact CD2-CE2 3.81Å; Y150-Y161 HydrophobicContact CD2-CE2 3.81Å; Y150-Y161 AromaticContact CD2-CG 3.82Å; Y150-Y161 HydrophobicContact CD2-CG 3.82Å; Y150-Y161 AromaticContact CD2-CZ 3.99Å; Y150-Y161 HydrophobicContact CE2-CD1 4.13Å; Y150-Y161 HydrophobicContact CE2-CD2 4.05Å; Y150-Y161 AromaticContact CE2-CG 3.81Å; Y150-Y161 HydrophobicContact CE2-CG 3.81Å; Y150-P165 HydrophobicContact CD1-CG 3.91Å; Y150-P165 HydrophobicContact CD2-CG 4.01Å; Y150-P165 HydrophobicContact CE1-CG 3.9Å; Y150-P165 HydrophobicContact CE2-CG 4Å; Y150-P165 HydrophobicContact CG-CG 3.96Å; Y150-L172 HydrophobicContact CD1-CD1 3.77Å; Y150-L172 HydrophobicContact CD1-CG 4.46Å; Y150-L172 HydrophobicContact CE1-CD1 3.82Å; Y150-L172 HydrophobicContact CE1-CD2 4.08Å; Y150-L172 HydrophobicContact CE1-CG 4.08Å; Y150-V173 WeakPolarHBondContact CD1-O 3.35Å; Y150-V173 PolarHBondContact N-O 2.84Å; Y150-S174 WeakPolarHBondContact O-CA 3.23Å; Y150-D175 PolarHBondContact O-N 2.87Å; Y150-F190 AromaticContact CE1-CE1 3.83Å; Y150-F190 HydrophobicContact CE1-CE1 3.83Å; Y150-F190 VanDerWaalsContact OH-CE1 3.3Å; Y150-F190 WeakPolarHBondContact OH-CE1 3.42Å |
| 151 | C | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 112.7 | 167.9 | -172.5 | 0 | 0 | 0 | 0 | 108.5 | N153 E154 Y161 D175 | C151-N153 PolarHBondContact O-N 3.34Å; C151-E154 HydrophobicContact CB-CG 4.28Å; C151-Y161 WeakPolarHBondContact O-CD2 3.4Å; C151-Y161 WeakPolarHBondContact O-CE2 3.49Å; C151-D175 HydrophobicContact CB-CB 4.35Å |
| 152 | C | 98.8 | Very high | 98.2 | Very high | 2 Ų | 2 | 17.2 Ų | 17.2 | 1% | 0.014 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -65.4 | -29.1 | -173 | -171.4 | 0 | 0 | 0 | 0 | 112.5 | Y150 E160 Y161 D175 M176 N179 | Y150-C152 HydrophobicContact CD2-CB 4.44Å; Y150-C152 HydrophobicContact CE2-CB 3.8Å; C152-E160 WeakPolarHBondContact O-CA 3.45Å; C152-Y161 PolarHBondContact O-N 3.08Å; C152-D175 PolarHBondContact N-O 2.94Å; C152-M176 HydrophobicContact CB-CG 4.03Å; C152-N179 PolarHBondContact SG-ND2 3.19Å |
| 153 | N | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 109.2 | 175.2 | -178.3 | 99.8 | 0 | 0 | 0 | 111.6 | C151 T155 V159 E160 S178 N179 S298 N301 | C151-N153 PolarHBondContact O-N 3.34Å; N153-T155 PolarHBondContact O-N 2.95Å; N153-T155 VanDerWaalsContact O-N 3.15Å; N153-V159 CarbonylContact C-O 3.44Å; N153-V159 WeakPolarHBondContact CA-O 3.47Å; N153-E160 HydrophobicContact CB-CG 4.24Å; N153-E160 WeakPolarHBondContact OD1-CB 3.4Å; N153-S178 VanDerWaalsContact ND2-CB 3.27Å; N153-S178 WeakPolarHBondContact ND2-CB 3.48Å; N153-S178 PolarHBondContact ND2-OG 2.98Å; N153-S178 PolarHBondContact O-OG 3.19Å; N153-N179 HydrophobicContact CB-CB 3.85Å; N153-S298 WeakPolarHBondContact OD1-CB 3.47Å; N153-S298 PolarHBondContact OD1-OG 3.36Å; N153-N301 PolarHBondContact ND2-OD1 3.05Å |
| 154 | E | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 93.1 | 178.1 | -78.2 | -74 | -177.5 | 0 | 0 | 111.6 | G104 T105 W106 S107 C151 V156 H157 G158 V159 | G104-E154 VanDerWaalsContact C-CD 3.48Å; G104-E154 VanDerWaalsContact C-OE1 3.28Å; G104-E154 VanDerWaalsContact CA-OE1 3.28Å; G104-E154 WeakPolarHBondContact CA-OE1 3.48Å; G104-E154 WeakPolarHBondContact CA-OE2 3.4Å; G104-E154 PolarHBondContact N-OE1 3.08Å; T105-E154 PolarHBondContact N-OE2 3.42Å; T105-E154 VanDerWaalsContact N-OE2 3.13Å; W106-E154 PolarHBondContact N-OE1 3.49Å; W106-E154 PolarHBondContact N-OE2 2.56Å; S107-E154 VanDerWaalsContact CB-OE1 3.23Å; S107-E154 WeakPolarHBondContact CB-OE1 3.33Å; S107-E154 PolarHBondContact N-OE1 3.22Å; S107-E154 PolarHBondContact OG-OE1 3.03Å; C151-E154 HydrophobicContact CB-CG 4.28Å; E154-V156 PolarHBondContact O-N 2.89Å; E154-V156 VanDerWaalsContact O-N 3.1Å; E154-H157 PolarHBondContact O-N 2.9Å; E154-G158 PolarHBondContact O-N 3.43Å; E154-V159 HydrophobicContact CB-CB 4.22Å; E154-V159 PolarHBondContact N-O 3.01Å |
| 155 | T | 98.2 | Very high | 98.4 | Very high | 3 Ų | 3 | 12.6 Ų | 12.6 | 2% | 0.018 | 7% | 0.065 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -34.5 | -173.7 | -33.4 | 0 | 0 | 0 | 0 | 114.3 | A11 W106 N153 S178 K199 N301 R341 Y345 | A11-T155 HydrophobicContact CB-CG2 4.09Å; W106-T155 PolarHBondContact NE1-OG1 3.28Å; N153-T155 PolarHBondContact O-N 2.95Å; N153-T155 VanDerWaalsContact O-N 3.15Å; T155-S178 WeakPolarHBondContact OG1-CB 3.21Å; T155-S178 PolarHBondContact OG1-OG 3.31Å; T155-K199 PolarHBondContact OG1-NZ 2.85Å; T155-N301 VanDerWaalsContact CG2-ND2 3.35Å; T155-N301 WeakPolarHBondContact CG2-ND2 3.2Å; T155-N301 WeakPolarHBondContact CG2-OD1 3.25Å; T155-R341 VanDerWaalsContact O-CD 3.25Å; T155-R341 WeakPolarHBondContact O-CD 3.46Å; T155-R341 PolarHBondContact O-NH1 2.85Å; T155-Y345 VanDerWaalsContact CG2-OH 3.29Å; T155-Y345 WeakPolarHBondContact CG2-OH 3.05Å |
| 156 | V | 97.8 | Very high | 98.3 | Very high | 3 Ų | 3 | 18.3 Ų | 18.3 | 2% | 0.018 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -43.3 | -176.4 | 172.2 | 0 | 0 | 0 | 0 | 110.7 | E154 H334 V337 | E154-V156 PolarHBondContact O-N 2.89Å; E154-V156 VanDerWaalsContact O-N 3.1Å; V156-H334 HydrophobicContact CG1-CB 4.04Å; V156-H334 HydrophobicContact CG2-CB 4.49Å; V156-V337 HydrophobicContact CG1-CG1 3.97Å; V156-V337 HydrophobicContact CG1-CG2 4.33Å |
| 157 | H | 98.4 | Very high | 98.2 | Very high | 27 Ų | 27 | 19 Ų | 19 | 13% | 0.125 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -10.2 | -171.9 | -56.7 | 103.6 | 0 | 0 | 0 | 113.8 | G104 T105 Y130 E154 V159 V292 P303 | G104-H157 WeakPolarHBondContact CA-ND1 3.32Å; T105-H157 PolarHBondContact N-CE1 3.47Å; T105-H157 VanDerWaalsContact N-CE1 3.31Å; T105-H157 PolarHBondContact N-ND1 3.42Å; T105-H157 PolarHBondContact OG1-CE1 2.95Å; Y130-H157 AromaticContact CD2-CE1 3.24Å; Y130-H157 WeakPolarHBondContact CD2-CE1 3.25Å; Y130-H157 AromaticContact CD2-ND1 3.92Å; Y130-H157 AromaticContact CD2-NE2 3.49Å; Y130-H157 WeakPolarHBondContact CD2-NE2 3.21Å; Y130-H157 AromaticContact CG-CE1 3.86Å; Y130-H157 VanDerWaalsContact O-CB 3.23Å; Y130-H157 WeakPolarHBondContact O-CB 3.28Å; E154-H157 PolarHBondContact O-N 2.9Å; H157-V159 HydrophobicContact CB-CG2 4.25Å; H157-V292 WeakPolarHBondContact O-CG2 3.41Å; H157-P303 WeakPolarHBondContact O-CG 3.12Å |
| 158 | G | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 31 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | E154 S298 N301 | E154-G158 PolarHBondContact O-N 3.43Å; G158-S298 VanDerWaalsContact C-CB 3.45Å; G158-S298 VanDerWaalsContact O-CB 3.23Å; G158-S298 WeakPolarHBondContact O-CB 3.1Å; G158-S298 PolarHBondContact O-N 2.95Å; G158-N301 VanDerWaalsContact CA-O 3.24Å; G158-N301 WeakPolarHBondContact CA-O 3.34Å |
| 159 | V | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 122.7 | 175.3 | 177.1 | 0 | 0 | 0 | 0 | 109 | Y130 I133 N153 E154 H157 V292 C296 | Y130-V159 WeakPolarHBondContact O-CG2 2.91Å; I133-V159 HydrophobicContact CD1-CG1 3.95Å; I133-V159 HydrophobicContact CG1-CG1 3.55Å; N153-V159 CarbonylContact C-O 3.44Å; N153-V159 WeakPolarHBondContact CA-O 3.47Å; E154-V159 HydrophobicContact CB-CB 4.22Å; E154-V159 PolarHBondContact N-O 3.01Å; H157-V159 HydrophobicContact CB-CG2 4.25Å; V159-V292 HydrophobicContact CG2-CG1 3.89Å; V159-V292 HydrophobicContact CG2-CG2 4.45Å; V159-C296 CarbonylContact C-O 3.53Å; V159-C296 WeakPolarHBondContact CA-O 3.39Å; V159-C296 HydrophobicContact CG1-CB 4.18Å |
| 160 | E | 98.8 | Very high | 97.6 | Very high | 6 Ų | 6 | 30.6 Ų | 30.6 | 3% | 0.028 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 132.5 | 176.6 | -173.6 | 179.1 | -166.5 | 0 | 0 | 110.4 | C152 N153 N162 N179 C296 R299 | C152-E160 WeakPolarHBondContact O-CA 3.45Å; N153-E160 HydrophobicContact CB-CG 4.24Å; N153-E160 WeakPolarHBondContact OD1-CB 3.4Å; E160-N162 PolarHBondContact O-N 3.4Å; E160-N179 PolarHBondContact OE1-ND2 3.32Å; E160-C296 PolarHBondContact N-O 2.63Å; E160-R299 IonicContact OE1-CZ 2.64Å; E160-R299 IonicContact OE1-NE 2.76Å; E160-R299 IonicContact OE1-NH2 2.71Å; E160-R299 PolarHBondContact OE1-NH2 3.17Å; E160-R299 IonicContact OE2-CZ 3.91Å; E160-R299 PolarHBondContact OE2-N 3.35Å; E160-R299 IonicContact OE2-NE 2.73Å; E160-R299 PolarHBondContact OE2-NE 2.66Å; E160-R299 IonicContact OE2-NH2 3.11Å |
| 161 | Y | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 0% | 0.004 | 18% | 0.183 | C | C | . | . | trans | -72.2 | 121.1 | 171.4 | -76.2 | -105 | 0 | 0 | 0 | 109.2 | T103 I133 W139 Y150 C151 C152 F163 P165 R183 | T103-Y161 HydrophobicContact CG2-CE2 4.36Å; T103-Y161 WeakPolarHBondContact CG2-OH 3.38Å; T103-Y161 WeakPolarHBondContact OG1-CE2 3.44Å; T103-Y161 PolarHBondContact OG1-OH 3.07Å; I133-Y161 HydrophobicContact CD1-CD1 3.76Å; I133-Y161 HydrophobicContact CD1-CD2 3.75Å; I133-Y161 HydrophobicContact CD1-CE1 3.96Å; I133-Y161 HydrophobicContact CD1-CE2 3.95Å; I133-Y161 HydrophobicContact CD1-CG 3.65Å; I133-Y161 HydrophobicContact CG1-CE1 4.36Å; I133-Y161 HydrophobicContact CG1-CE2 4.25Å; I133-Y161 HydrophobicContact CG2-CD1 4.25Å; I133-Y161 HydrophobicContact CG2-CE1 3.61Å; W139-Y161 HydrophobicContact CH2-CE1 4.42Å; Y150-Y161 HydrophobicContact CD2-CD1 4.01Å; Y150-Y161 AromaticContact CD2-CD2 3.71Å; Y150-Y161 HydrophobicContact CD2-CD2 3.71Å; Y150-Y161 HydrophobicContact CD2-CE1 4.09Å; Y150-Y161 AromaticContact CD2-CE2 3.81Å; Y150-Y161 HydrophobicContact CD2-CE2 3.81Å; Y150-Y161 AromaticContact CD2-CG 3.82Å; Y150-Y161 HydrophobicContact CD2-CG 3.82Å; Y150-Y161 AromaticContact CD2-CZ 3.99Å; Y150-Y161 HydrophobicContact CE2-CD1 4.13Å; Y150-Y161 HydrophobicContact CE2-CD2 4.05Å; Y150-Y161 AromaticContact CE2-CG 3.81Å; Y150-Y161 HydrophobicContact CE2-CG 3.81Å; C151-Y161 WeakPolarHBondContact O-CD2 3.4Å; C151-Y161 WeakPolarHBondContact O-CE2 3.49Å; C152-Y161 PolarHBondContact O-N 3.08Å; Y161-F163 VanDerWaalsContact C-N 3.33Å; Y161-F163 HydrophobicContact CD1-CE1 4.28Å; Y161-F163 HydrophobicContact CD1-CE2 4.36Å; Y161-F163 HydrophobicContact CD1-CZ 4.02Å; Y161-F163 HydrophobicContact CE1-CZ 4.3Å; Y161-P165 HydrophobicContact CD1-CG 4.37Å; Y161-P165 HydrophobicContact CE1-CG 4.38Å; Y161-R183 PolarHBondContact O-NH1 2.94Å; Y161-R183 PolarHBondContact O-NH2 3.33Å | ||
| 162 | N | 96 | Very high | 97.6 | Very high | 105 Ų | 105 | 31.7 Ų | 31.7 | 56% | 0.561 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -86.7 | -5.4 | 172.6 | 61.8 | -7.9 | 0 | 0 | 0 | 113.1 | E160 A295 | E160-N162 PolarHBondContact O-N 3.4Å; N162-A295 PolarHBondContact ND2-O 2.84Å |
| 163 | F | 97.1 | Very high | 97.6 | Very high | 72 Ų | 72 | 31.6 Ų | 31.6 | 32% | 0.316 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -127.6 | 166.3 | 175.9 | 65.6 | -87.7 | 0 | 0 | 0 | 111.5 | I133 P136 W139 Y161 | I133-F163 HydrophobicContact CG2-CZ 4.32Å; P136-F163 HydrophobicContact CG-CE2 4.12Å; P136-F163 HydrophobicContact CG-CZ 3.88Å; W139-F163 AromaticContact CH2-CE2 3.64Å; W139-F163 HydrophobicContact CH2-CE2 3.64Å; W139-F163 AromaticContact CH2-CZ 3.77Å; W139-F163 HydrophobicContact CH2-CZ 3.77Å; W139-F163 HydrophobicContact CZ2-CE2 4.43Å; W139-F163 HydrophobicContact CZ2-CZ 4.11Å; W139-F163 HydrophobicContact CZ3-CE2 4.38Å; Y161-F163 VanDerWaalsContact C-N 3.33Å; Y161-F163 HydrophobicContact CD1-CE1 4.28Å; Y161-F163 HydrophobicContact CD1-CE2 4.36Å; Y161-F163 HydrophobicContact CD1-CZ 4.02Å; Y161-F163 HydrophobicContact CE1-CZ 4.3Å |
| 164 | T | 98.1 | Very high | 97.6 | Very high | 36 Ų | 36 | 31.6 Ų | 31.6 | 22% | 0.221 | 18% | 0.183 | C | C | . | . | P | Polyproline II helix | trans | -94 | 126.4 | 169.5 | -58.1 | 0 | 0 | 0 | 0 | 108.7 | E166 L172 K189 F190 | T164-E166 PolarHBondContact O-N 3.05Å; T164-L172 HydrophobicContact CG2-CD2 3.51Å; T164-K189 HydrophobicContact CG2-CB 4.13Å; T164-K189 HydrophobicContact CG2-CD 3.94Å; T164-F190 HydrophobicContact CG2-CE1 4.04Å; T164-F190 HydrophobicContact CG2-CE2 4.16Å; T164-F190 HydrophobicContact CG2-CZ 3.59Å |
| 165 | P | 97.9 | Very high | 97.6 | Very high | 3 Ų | 3 | 31.7 Ų | 31.7 | 2% | 0.019 | 18% | 0.183 | C | C | . | . | P | Polyproline II helix | trans | -55.1 | 132.9 | 175.7 | -28.5 | 37.1 | 0 | 0 | 0 | 112.5 | L101 W139 Y150 Y161 L172 | L101-P165 HydrophobicContact CD1-CB 4.03Å; L101-P165 HydrophobicContact CD1-CG 3.85Å; W139-P165 HydrophobicContact CH2-CB 4.22Å; W139-P165 HydrophobicContact CH2-CG 4.36Å; W139-P165 HydrophobicContact CZ3-CB 3.89Å; Y150-P165 HydrophobicContact CD1-CG 3.91Å; Y150-P165 HydrophobicContact CD2-CG 4.01Å; Y150-P165 HydrophobicContact CE1-CG 3.9Å; Y150-P165 HydrophobicContact CE2-CG 4Å; Y150-P165 HydrophobicContact CG-CG 3.96Å; Y161-P165 HydrophobicContact CD1-CG 4.37Å; Y161-P165 HydrophobicContact CE1-CG 4.38Å; P165-L172 HydrophobicContact CB-CD1 4.19Å; P165-L172 HydrophobicContact CG-CD1 4.5Å |
| 166 | E | 96.2 | Very high | 97.6 | Very high | 121 Ų | 121 | 31.8 Ų | 31.8 | 57% | 0.565 | 18% | 0.184 | S | C | * | . | P | Polyproline II helix | trans | -89.1 | 128 | 171.2 | -65.6 | -63 | 151.9 | 0 | 0 | 109 | T164 K189 | T164-E166 PolarHBondContact O-N 3.05Å; E166-K189 IonicContact OE1-NZ 3.76Å; E166-K189 PolarHBondContact OE1-NZ 3.18Å; E166-K189 VanDerWaalsContact OE1-NZ 3.08Å |
| 167 | T | 96.3 | Very high | 97.7 | Very high | 17 Ų | 17 | 31.8 Ų | 31.8 | 10% | 0.104 | 18% | 0.184 | C | C | . | . | trans | -115.7 | 6.4 | -168.4 | 58.8 | 0 | 0 | 0 | 0 | 113.6 | V148 G169 V170 L172 | V148-T167 HydrophobicContact CB-CG2 3.83Å; V148-T167 HydrophobicContact CG1-CG2 4.23Å; V148-T167 HydrophobicContact CG2-CG2 3.81Å; T167-G169 PolarHBondContact O-N 3.05Å; T167-V170 VanDerWaalsContact CB-O 3.3Å; T167-V170 WeakPolarHBondContact CB-O 3.34Å; T167-V170 PolarHBondContact O-N 3.33Å; T167-V170 VanDerWaalsContact O-N 3.16Å; T167-V170 PolarHBondContact OG1-O 3.28Å; T167-L172 HydrophobicContact CG2-CB 4.06Å; T167-L172 HydrophobicContact CG2-CD1 3.74Å; T167-L172 HydrophobicContact CG2-CG 4.36Å | ||
| 168 | N | 92.2 | Very high | 97.7 | Very high | 149 Ų | 149 | 30.6 Ų | 30.6 | 80% | 0.797 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51 | 38.5 | -177.5 | -61.1 | -35.1 | 0 | 0 | 0 | 113.5 | ||
| 169 | G | 94.3 | Very high | 97.7 | Very high | 79 Ų | 79 | 30.7 Ų | 30.7 | 81% | 0.814 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 96 | -8.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | T167 | T167-G169 PolarHBondContact O-N 3.05Š|
| 170 | V | 98.3 | Very high | 97.7 | Very high | 16 Ų | 16 | 30.9 Ų | 30.9 | 10% | 0.097 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -71.2 | 143.5 | 171.6 | -178.4 | 0 | 0 | 0 | 0 | 110.1 | A145 V148 T167 L172 | A145-V170 HydrophobicContact CB-CG1 4.21Å; A145-V170 WeakPolarHBondContact O-CG1 3.26Å; V148-V170 HydrophobicContact CG2-CB 4.15Å; V148-V170 HydrophobicContact CG2-CG1 3.86Å; T167-V170 VanDerWaalsContact CB-O 3.3Å; T167-V170 WeakPolarHBondContact CB-O 3.34Å; T167-V170 PolarHBondContact O-N 3.33Å; T167-V170 VanDerWaalsContact O-N 3.16Å; T167-V170 PolarHBondContact OG1-O 3.28Å; V170-L172 PolarHBondContact O-N 3.06Å |
| 171 | V | 98.8 | Very high | 97.7 | Very high | 22 Ų | 22 | 30.6 Ų | 30.6 | 13% | 0.133 | 18% | 0.179 | C | C | . | . | P | Polyproline II helix | trans | -57.9 | 125.7 | -179.3 | 178.3 | 0 | 0 | 0 | 0 | 110.9 | L92 Y147 V148 L215 | L92-V171 HydrophobicContact CD1-CG2 4.27Å; Y147-V171 CarbonylContact C-O 3.38Å; Y147-V171 WeakPolarHBondContact CA-O 3.3Å; Y147-V171 WeakPolarHBondContact CB-O 3.46Å; V148-V171 PolarHBondContact N-O 3.49Å; V171-L215 HydrophobicContact CG1-CD1 3.72Å; V171-L215 HydrophobicContact CG1-CD2 4.39Å; V171-L215 HydrophobicContact CG2-CD2 3.89Å |
| 172 | L | 98.9 | Very high | 97.7 | Very high | 3 Ų | 3 | 30.6 Ų | 30.6 | 2% | 0.016 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 129.6 | 176.6 | -176.6 | 64 | 0 | 0 | 0 | 111.4 | V148 Y150 T164 P165 T167 V170 F190 G191 L192 | V148-L172 HydrophobicContact CB-CD1 4.35Å; V148-L172 HydrophobicContact CG1-CD1 4.41Å; Y150-L172 HydrophobicContact CD1-CD1 3.77Å; Y150-L172 HydrophobicContact CD1-CG 4.46Å; Y150-L172 HydrophobicContact CE1-CD1 3.82Å; Y150-L172 HydrophobicContact CE1-CD2 4.08Å; Y150-L172 HydrophobicContact CE1-CG 4.08Å; T164-L172 HydrophobicContact CG2-CD2 3.51Å; P165-L172 HydrophobicContact CB-CD1 4.19Å; P165-L172 HydrophobicContact CG-CD1 4.5Å; T167-L172 HydrophobicContact CG2-CB 4.06Å; T167-L172 HydrophobicContact CG2-CD1 3.74Å; T167-L172 HydrophobicContact CG2-CG 4.36Å; V170-L172 PolarHBondContact O-N 3.06Å; L172-F190 HydrophobicContact CD2-CD1 3.73Å; L172-F190 HydrophobicContact CD2-CE1 3.67Å; L172-F190 HydrophobicContact CD2-CZ 4.41Å; L172-F190 HydrophobicContact CG-CD1 3.92Å; L172-F190 HydrophobicContact CG-CE1 4.21Å; L172-G191 PolarHBondContact O-N 3.36Å; L172-L192 PolarHBondContact O-N 3.09Å |
| 173 | V | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 133.4 | 175.7 | -178.3 | 0 | 0 | 0 | 0 | 110.3 | V85 L89 Y147 V148 Y149 Y150 L192 | V85-V173 HydrophobicContact CG1-CG1 3.88Å; V85-V173 HydrophobicContact CG1-CG2 4.26Å; V85-V173 HydrophobicContact CG2-CG1 4.09Å; L89-V173 HydrophobicContact CD1-CG2 3.82Å; Y147-V173 HydrophobicContact CD2-CB 4.36Å; Y147-V173 HydrophobicContact CD2-CG2 3.93Å; Y147-V173 HydrophobicContact CG-CG2 4Å; V148-V173 PolarHBondContact O-N 3.12Å; Y149-V173 WeakPolarHBondContact CA-O 3.26Å; Y149-V173 HydrophobicContact CD2-CB 4.25Å; Y149-V173 HydrophobicContact CD2-CG1 3.82Å; Y149-V173 HydrophobicContact CE2-CG1 4.33Å; Y150-V173 WeakPolarHBondContact CD1-O 3.35Å; Y150-V173 PolarHBondContact N-O 2.84Å; V173-L192 CarbonylContact C-O 3.54Å; V173-L192 VanDerWaalsContact CA-O 3.29Å; V173-L192 WeakPolarHBondContact CA-O 3.21Å; V173-L192 HydrophobicContact CG1-CB 4.26Å; V173-L192 HydrophobicContact CG1-CD2 3.84Å; V173-L192 HydrophobicContact CG2-CB 4.2Å |
| 174 | S | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 127.8 | -179.5 | -173.7 | 0 | 0 | 0 | 0 | 113.5 | Y150 M176 L192 I193 F194 | Y150-S174 WeakPolarHBondContact O-CA 3.23Å; S174-M176 WeakPolarHBondContact OG-CE 3.36Å; S174-M176 WeakPolarHBondContact OG-CG 3.24Å; S174-L192 PolarHBondContact N-O 3.34Å; S174-I193 WeakPolarHBondContact O-CA 3.33Å; S174-F194 PolarHBondContact O-N 3.4Å |
| 175 | D | 98.9 | Very high | 97.8 | Very high | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.011 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 111.6 | 158.4 | 177.6 | 6.2 | 0 | 0 | 0 | 109.1 | Y149 Y150 C151 C152 S177 F194 | Y149-D175 WeakPolarHBondContact OH-CB 3.03Å; Y150-D175 PolarHBondContact O-N 2.87Å; C151-D175 HydrophobicContact CB-CB 4.35Å; C152-D175 PolarHBondContact N-O 2.94Å; D175-S177 WeakPolarHBondContact OD1-CB 3.41Å; D175-S177 PolarHBondContact OD1-N 3.12Å; D175-S177 PolarHBondContact OD1-OG 3.22Å; D175-F194 HydrophobicContact CB-CE1 3.78Å; D175-F194 HydrophobicContact CB-CE2 3.89Å; D175-F194 HydrophobicContact CB-CZ 3.4Å |
| 176 | M | 98.8 | Very high | 97.8 | Very high | 5 Ų | 5 | 30 Ų | 30 | 3% | 0.025 | 18% | 0.18 | C | C | . | . | trans | -108.3 | 13.6 | 177.2 | -63.8 | -168.5 | 179.1 | 0 | 0 | 112.4 | C152 S174 S178 N179 F180 V185 F190 I193 F194 | C152-M176 HydrophobicContact CB-CG 4.03Å; S174-M176 WeakPolarHBondContact OG-CE 3.36Å; S174-M176 WeakPolarHBondContact OG-CG 3.24Å; M176-S178 PolarHBondContact O-N 3.42Å; M176-N179 WeakPolarHBondContact CA-OD1 3.4Å; M176-N179 CarbonylContact O-C 3.54Å; M176-N179 PolarHBondContact O-N 3.44Å; M176-N179 PolarHBondContact O-OD1 2.62Å; M176-F180 HydrophobicContact CB-CB 4.28Å; M176-F180 HydrophobicContact CB-CD2 4.09Å; M176-F180 WeakPolarHBondContact O-CA 3.44Å; M176-F180 VanDerWaalsContact O-CB 3.29Å; M176-F180 WeakPolarHBondContact O-CB 3.35Å; M176-F180 PolarHBondContact O-N 2.76Å; M176-V185 HydrophobicContact CE-CG1 3.86Å; M176-V185 HydrophobicContact SD-CG1 4.25Å; M176-V185 HydrophobicContact SD-CG2 4.31Å; M176-F190 HydrophobicContact CE-CD1 4.23Å; M176-F190 HydrophobicContact CE-CE1 3.53Å; M176-F190 HydrophobicContact CE-CE2 3.98Å; M176-F190 HydrophobicContact CE-CZ 3.4Å; M176-I193 HydrophobicContact CB-CG2 4.1Å; M176-I193 HydrophobicContact CE-CD1 3.97Å; M176-I193 HydrophobicContact CE-CG1 3.97Å; M176-I193 HydrophobicContact CE-CG2 4.42Å; M176-I193 HydrophobicContact CG-CG2 3.85Å; M176-I193 HydrophobicContact SD-CD1 4.14Å; M176-I193 HydrophobicContact SD-CG1 4.24Å; M176-I193 HydrophobicContact SD-CG2 3.65Å; M176-F194 PolarHBondContact N-O 3.05Å | ||
| 177 | S | 98.8 | Very high | 97.9 | Very high | 4 Ų | 4 | 24.4 Ų | 24.4 | 3% | 0.028 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.3 | -42.3 | -169.7 | -61.4 | 0 | 0 | 0 | 0 | 114.1 | D175 G196 K199 | D175-S177 WeakPolarHBondContact OD1-CB 3.41Å; D175-S177 PolarHBondContact OD1-N 3.12Å; D175-S177 PolarHBondContact OD1-OG 3.22Å; S177-G196 PolarHBondContact OG-N 3.36Å; S177-G196 VanDerWaalsContact OG-N 3.08Å; S177-K199 WeakPolarHBondContact O-CB 3.39Å |
| 178 | S | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.007 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -8.9 | -177.3 | 8.6 | 0 | 0 | 0 | 0 | 115.9 | N153 T155 M176 K199 M300 Y345 | N153-S178 VanDerWaalsContact ND2-CB 3.27Å; N153-S178 WeakPolarHBondContact ND2-CB 3.48Å; N153-S178 PolarHBondContact ND2-OG 2.98Å; N153-S178 PolarHBondContact O-OG 3.19Å; T155-S178 WeakPolarHBondContact OG1-CB 3.21Å; T155-S178 PolarHBondContact OG1-OG 3.31Å; M176-S178 PolarHBondContact O-N 3.42Å; S178-K199 PolarHBondContact OG-NZ 3.03Å; S178-M300 VanDerWaalsContact O-CG 3.28Å; S178-M300 WeakPolarHBondContact O-CG 3.29Å; S178-Y345 WeakPolarHBondContact O-CE1 3.19Å |
| 179 | N | 98.6 | Very high | 98.3 | Very high | 3 Ų | 3 | 23.9 Ų | 23.9 | 2% | 0.016 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -133.8 | 13.1 | -179.8 | 69.3 | -21.2 | 0 | 0 | 0 | 113 | C152 N153 E160 M176 L181 S182 M300 | C152-N179 PolarHBondContact SG-ND2 3.19Å; N153-N179 HydrophobicContact CB-CB 3.85Å; E160-N179 PolarHBondContact OE1-ND2 3.32Å; M176-N179 WeakPolarHBondContact CA-OD1 3.4Å; M176-N179 CarbonylContact O-C 3.54Å; M176-N179 PolarHBondContact O-N 3.44Å; M176-N179 PolarHBondContact O-OD1 2.62Å; N179-L181 PolarHBondContact O-N 2.77Å; N179-S182 WeakPolarHBondContact O-CB 3.28Å; N179-S182 PolarHBondContact O-N 3.17Å; N179-S182 PolarHBondContact O-OG 3.43Å; N179-M300 HydrophobicContact CB-CG 3.78Å |
| 180 | F | 98.6 | Very high | 98.5 | Very high | 3 Ų | 3 | 20.2 Ų | 20.2 | 1% | 0.013 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 126.7 | 175.9 | -167.1 | -118.1 | 0 | 0 | 0 | 110.2 | L59 L63 M176 S182 I193 A195 N200 V201 V208 I210 | L59-F180 HydrophobicContact CD2-CE1 3.73Å; L59-F180 HydrophobicContact CD2-CZ 3.95Å; L63-F180 HydrophobicContact CD1-CE1 4.4Å; L63-F180 HydrophobicContact CD1-CE2 3.52Å; L63-F180 HydrophobicContact CD1-CZ 3.46Å; L63-F180 VanDerWaalsContact CD1-CZ 3.46Å; M176-F180 HydrophobicContact CB-CB 4.28Å; M176-F180 HydrophobicContact CB-CD2 4.09Å; M176-F180 WeakPolarHBondContact O-CA 3.44Å; M176-F180 VanDerWaalsContact O-CB 3.29Å; M176-F180 WeakPolarHBondContact O-CB 3.35Å; M176-F180 PolarHBondContact O-N 2.76Å; F180-S182 PolarHBondContact O-N 3.08Å; F180-I193 HydrophobicContact CD2-CG2 4.35Å; F180-I193 HydrophobicContact CE2-CG2 4.1Å; F180-A195 HydrophobicContact CB-CB 3.63Å; F180-A195 HydrophobicContact CD1-CB 3.83Å; F180-A195 HydrophobicContact CD2-CB 3.81Å; F180-A195 HydrophobicContact CE1-CB 4.4Å; F180-A195 HydrophobicContact CE2-CB 4.39Å; F180-A195 HydrophobicContact CG-CB 3.49Å; F180-A195 VanDerWaalsContact CG-CB 3.49Å; F180-N200 PolarHBondContact O-ND2 3.49Å; F180-V201 HydrophobicContact CD1-CB 4.48Å; F180-V201 HydrophobicContact CD1-CG1 3.92Å; F180-V201 HydrophobicContact CD1-CG2 3.84Å; F180-V201 HydrophobicContact CE1-CG2 4.45Å; F180-V201 WeakPolarHBondContact O-CG1 3.37Å; F180-V208 HydrophobicContact CE1-CB 4.48Å; F180-V208 HydrophobicContact CE1-CG1 4.48Å; F180-V208 HydrophobicContact CZ-CG1 4.12Å; F180-I210 HydrophobicContact CE2-CD1 4.01Å; F180-I210 HydrophobicContact CZ-CD1 4Å |
| 181 | L | 98.6 | Very high | 98.6 | Very high | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 21.4 | -173.9 | -72 | 170.2 | 0 | 0 | 0 | 115.3 | L59 L62 L63 N179 V201 L254 I257 N346 | L59-L181 HydrophobicContact CD2-CD1 4.12Å; L62-L181 HydrophobicContact CB-CD2 3.62Å; L62-L181 HydrophobicContact CD1-CD1 4.14Å; L62-L181 HydrophobicContact CD1-CD2 4.41Å; L63-L181 HydrophobicContact CD1-CD2 4.38Å; L63-L181 HydrophobicContact CD1-CG 4.49Å; L63-L181 HydrophobicContact CD2-CD2 3.5Å; L63-L181 HydrophobicContact CD2-CG 4.11Å; L63-L181 HydrophobicContact CG-CD2 3.66Å; L63-L181 HydrophobicContact CG-CG 4.26Å; N179-L181 PolarHBondContact O-N 2.77Å; L181-V201 HydrophobicContact CB-CG1 3.96Å; L181-V201 HydrophobicContact CD1-CG1 4Å; L181-V201 HydrophobicContact CG-CG1 4.47Å; L181-L254 HydrophobicContact CD1-CD2 3.28Å; L181-I257 HydrophobicContact CB-CD1 4.17Å; L181-I257 HydrophobicContact CD1-CD1 4.2Å; L181-N346 PolarHBondContact O-ND2 3.1Å |
| 182 | S | 98.6 | Very high | 98.6 | Very high | 1 Ų | 1 | 18.4 Ų | 18.4 | 1% | 0.007 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -84.3 | -16.4 | 171.7 | 80 | 0 | 0 | 0 | 0 | 113.5 | N179 F180 M266 E267 N270 M300 N346 | N179-S182 WeakPolarHBondContact O-CB 3.28Å; N179-S182 PolarHBondContact O-N 3.17Å; N179-S182 PolarHBondContact O-OG 3.43Å; F180-S182 PolarHBondContact O-N 3.08Å; S182-M266 CarbonylContact O-C 3.58Å; S182-E267 VanDerWaalsContact O-CA 3.27Å; S182-E267 WeakPolarHBondContact O-CA 3.4Å; S182-E267 PolarHBondContact O-N 3.02Å; S182-E267 VanDerWaalsContact O-N 3.17Å; S182-N270 WeakPolarHBondContact CB-ND2 3.41Å; S182-N270 PolarHBondContact O-ND2 2.69Å; S182-M300 WeakPolarHBondContact CB-SD 3.43Å; S182-N346 WeakPolarHBondContact CA-OD1 3.35Å |
| 183 | R | 98.3 | Very high | 98.6 | Very high | 31 Ų | 31 | 18.4 Ų | 18.4 | 12% | 0.117 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -158 | 166.5 | 176.4 | 57.3 | 156.2 | 169.1 | -164.9 | 2.1 | 110.8 | Y161 S263 E267 R299 | Y161-R183 PolarHBondContact O-NH1 2.94Å; Y161-R183 PolarHBondContact O-NH2 3.33Å; R183-S263 WeakPolarHBondContact CA-O 3.42Å; R183-E267 HydrophobicContact CB-CB 3.82Å; R183-E267 HydrophobicContact CB-CG 3.85Å; R183-R299 VanDerWaalsContact CD-NH2 3.27Å; R183-R299 VanDerWaalsContact CZ-NH2 3.28Å |
| 184 | P | 98.1 | Very high | 98.6 | Very high | 63 Ų | 63 | 18.4 Ų | 18.4 | 41% | 0.409 | 10% | 0.101 | S | C | . | . | trans | -58.9 | 144.3 | 168.8 | -23.4 | 35.6 | 0 | 0 | 0 | 111.9 | A264 E267 | P184-A264 HydrophobicContact CG-CB 4.26Å; P184-E267 WeakPolarHBondContact CD-OE2 3.45Å | ||
| 185 | V | 96.9 | Very high | 98.6 | Very high | 29 Ų | 29 | 18.4 Ų | 18.4 | 18% | 0.176 | 10% | 0.101 | C | C | . | . | trans | -138.6 | 131.8 | 177.5 | 172.8 | 0 | 0 | 0 | 0 | 107.8 | M176 V187 F190 I193 | M176-V185 HydrophobicContact CE-CG1 3.86Å; M176-V185 HydrophobicContact SD-CG1 4.25Å; M176-V185 HydrophobicContact SD-CG2 4.31Å; V185-V187 PolarHBondContact O-N 3.48Å; V185-F190 HydrophobicContact CG1-CD2 4.38Å; V185-F190 HydrophobicContact CG1-CE2 3.62Å; V185-F190 HydrophobicContact CG1-CZ 4.2Å; V185-I193 HydrophobicContact CG1-CD1 4.36Å | ||
| 186 | D | 98.3 | Very high | 98.6 | Very high | 81 Ų | 81 | 18.3 Ų | 18.3 | 43% | 0.433 | 10% | 0.101 | S | C | . | . | trans | -79.8 | 95 | 170.8 | -179.5 | 3.3 | 0 | 0 | 0 | 109.9 | S188 K189 F190 | D186-S188 PolarHBondContact O-N 2.92Å; D186-S188 WeakPolarHBondContact OD1-CB 3.34Å; D186-S188 PolarHBondContact OD1-N 2.58Å; D186-S188 VanDerWaalsContact OD1-N 3.12Å; D186-S188 PolarHBondContact OD1-OG 3.49Å; D186-S188 PolarHBondContact OD2-OG 2.75Å; D186-K189 HydrophobicContact CB-CG 4.36Å; D186-K189 PolarHBondContact O-N 3.17Å; D186-F190 VanDerWaalsContact O-CD2 3.25Å; D186-F190 WeakPolarHBondContact O-CD2 3.23Å; D186-F190 WeakPolarHBondContact O-CE2 3.42Å | ||
| 187 | V | 98.8 | Very high | 98.5 | Very high | 2 Ų | 2 | 18.1 Ų | 18.1 | 1% | 0.012 | 10% | 0.1 | C | C | . | . | G | 310 helix | trans | -60.5 | -27.3 | -177.9 | 175.3 | 0 | 0 | 0 | 0 | 112.2 | L63 I65 Y69 V185 K189 F190 I193 I210 | L63-V187 HydrophobicContact CB-CG2 4Å; L63-V187 WeakPolarHBondContact O-CG2 3.44Å; I65-V187 HydrophobicContact CG1-CG2 4.33Å; I65-V187 HydrophobicContact CG2-CG1 4.31Å; Y69-V187 HydrophobicContact CD1-CG1 4.22Å; Y69-V187 HydrophobicContact CE1-CG1 4.07Å; Y69-V187 PolarHBondContact OH-O 2.97Å; V185-V187 PolarHBondContact O-N 3.48Å; V187-K189 PolarHBondContact O-N 2.92Å; V187-K189 VanDerWaalsContact O-N 3.15Å; V187-F190 PolarHBondContact O-N 3.4Å; V187-I193 HydrophobicContact CG1-CD1 4.39Å; V187-I193 HydrophobicContact CG2-CD1 4.22Å; V187-I210 HydrophobicContact CG1-CG2 3.99Å |
| 188 | S | 98.5 | Very high | 98.5 | Very high | 63 Ų | 63 | 20 Ų | 20 | 44% | 0.441 | 11% | 0.109 | S | C | . | . | G | 310 helix | trans | -64.8 | -20.9 | -177.2 | 75.8 | 0 | 0 | 0 | 0 | 113.8 | Y69 D186 F190 | Y69-S188 PolarHBondContact OH-O 2.93Å; D186-S188 PolarHBondContact O-N 2.92Å; D186-S188 WeakPolarHBondContact OD1-CB 3.34Å; D186-S188 PolarHBondContact OD1-N 2.58Å; D186-S188 VanDerWaalsContact OD1-N 3.12Å; D186-S188 PolarHBondContact OD1-OG 3.49Å; D186-S188 PolarHBondContact OD2-OG 2.75Å; S188-F190 VanDerWaalsContact C-N 3.26Å; S188-F190 PolarHBondContact O-N 3.01Å |
| 189 | K | 98.4 | Very high | 98.5 | Very high | 93 Ų | 93 | 20.7 Ų | 20.7 | 40% | 0.404 | 11% | 0.112 | S | C | . | . | G | 310 helix | trans | -74.2 | -13.5 | 175.5 | -66.6 | -165.6 | 168.8 | -152.2 | 0 | 114.1 | T164 E166 D186 V187 | T164-K189 HydrophobicContact CG2-CB 4.13Å; T164-K189 HydrophobicContact CG2-CD 3.94Å; E166-K189 IonicContact OE1-NZ 3.76Å; E166-K189 PolarHBondContact OE1-NZ 3.18Å; E166-K189 VanDerWaalsContact OE1-NZ 3.08Å; D186-K189 HydrophobicContact CB-CG 4.36Å; D186-K189 PolarHBondContact O-N 3.17Å; V187-K189 PolarHBondContact O-N 2.92Å; V187-K189 VanDerWaalsContact O-N 3.15Å |
| 190 | F | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 21 Ų | 21 | 0% | 0.004 | 11% | 0.113 | C | C | . | . | trans | -109 | 140.8 | -172.2 | -58.8 | -93 | 0 | 0 | 0 | 110.6 | Y69 Y150 T164 L172 M176 V185 D186 V187 S188 I193 | Y69-F190 VanDerWaalsContact CE1-O 3.24Å; Y69-F190 WeakPolarHBondContact CE1-O 3.22Å; Y69-F190 PolarHBondContact OH-O 3.13Å; Y150-F190 AromaticContact CE1-CE1 3.83Å; Y150-F190 HydrophobicContact CE1-CE1 3.83Å; Y150-F190 VanDerWaalsContact OH-CE1 3.3Å; Y150-F190 WeakPolarHBondContact OH-CE1 3.42Å; T164-F190 HydrophobicContact CG2-CE1 4.04Å; T164-F190 HydrophobicContact CG2-CE2 4.16Å; T164-F190 HydrophobicContact CG2-CZ 3.59Å; L172-F190 HydrophobicContact CD2-CD1 3.73Å; L172-F190 HydrophobicContact CD2-CE1 3.67Å; L172-F190 HydrophobicContact CD2-CZ 4.41Å; L172-F190 HydrophobicContact CG-CD1 3.92Å; L172-F190 HydrophobicContact CG-CE1 4.21Å; M176-F190 HydrophobicContact CE-CD1 4.23Å; M176-F190 HydrophobicContact CE-CE1 3.53Å; M176-F190 HydrophobicContact CE-CE2 3.98Å; M176-F190 HydrophobicContact CE-CZ 3.4Å; V185-F190 HydrophobicContact CG1-CD2 4.38Å; V185-F190 HydrophobicContact CG1-CE2 3.62Å; V185-F190 HydrophobicContact CG1-CZ 4.2Å; D186-F190 VanDerWaalsContact O-CD2 3.25Å; D186-F190 WeakPolarHBondContact O-CD2 3.23Å; D186-F190 WeakPolarHBondContact O-CE2 3.42Å; V187-F190 PolarHBondContact O-N 3.4Å; S188-F190 VanDerWaalsContact C-N 3.26Å; S188-F190 PolarHBondContact O-N 3.01Å; F190-I193 HydrophobicContact CB-CD1 4.01Å; F190-I193 HydrophobicContact CB-CG1 3.75Å; F190-I193 HydrophobicContact CD1-CD1 4.39Å; F190-I193 HydrophobicContact CD1-CG1 3.95Å; F190-I193 HydrophobicContact CD2-CD1 3.71Å; F190-I193 HydrophobicContact CD2-CG1 4.16Å; F190-I193 HydrophobicContact CE2-CD1 4.28Å; F190-I193 HydrophobicContact CG-CD1 3.77Å; F190-I193 HydrophobicContact CG-CG1 3.68Å | ||
| 191 | G | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.01 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -77.3 | -39.9 | 162.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L172 R212 L215 | L172-G191 PolarHBondContact O-N 3.36Å; G191-R212 PolarHBondContact O-N 3.39Å; G191-L215 VanDerWaalsContact CA-CD1 3.49Å; G191-L215 WeakPolarHBondContact O-CD1 3.42Å |
| 192 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 132.2 | 179 | -170.9 | 152.4 | 0 | 0 | 0 | 111.8 | V85 L89 L172 V173 S174 F194 V209 I210 V211 Y229 | V85-L192 HydrophobicContact CG2-CD1 4.41Å; V85-L192 HydrophobicContact CG2-CD2 3.9Å; L89-L192 HydrophobicContact CD1-CB 4.23Å; L89-L192 HydrophobicContact CD1-CD1 4.07Å; L172-L192 PolarHBondContact O-N 3.09Å; V173-L192 CarbonylContact C-O 3.54Å; V173-L192 VanDerWaalsContact CA-O 3.29Å; V173-L192 WeakPolarHBondContact CA-O 3.21Å; V173-L192 HydrophobicContact CG1-CB 4.26Å; V173-L192 HydrophobicContact CG1-CD2 3.84Å; V173-L192 HydrophobicContact CG2-CB 4.2Å; S174-L192 PolarHBondContact N-O 3.34Å; L192-F194 HydrophobicContact CD2-CB 4.22Å; L192-F194 HydrophobicContact CD2-CD1 3.84Å; L192-V209 HydrophobicContact CD1-CG1 3.85Å; L192-V209 HydrophobicContact CD2-CG1 4.18Å; L192-V209 HydrophobicContact CG-CG1 3.92Å; L192-I210 CarbonylContact C-O 3.45Å; L192-I210 VanDerWaalsContact CA-O 3.28Å; L192-I210 WeakPolarHBondContact CA-O 3.29Å; L192-V211 HydrophobicContact CD1-CB 4.15Å; L192-V211 HydrophobicContact CD1-CG2 4.02Å; L192-V211 HydrophobicContact CG-CB 4.34Å; L192-Y229 HydrophobicContact CD1-CD2 4.01Å; L192-Y229 HydrophobicContact CD1-CE2 3.33Å |
| 193 | I | 98.9 | Very high | 98.1 | Very high | 2 Ų | 2 | 22.5 Ų | 22.5 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 138.4 | 166 | -65.9 | 164.2 | 0 | 0 | 0 | 107.5 | S174 M176 F180 V185 V187 F190 V209 I210 | S174-I193 WeakPolarHBondContact O-CA 3.33Å; M176-I193 HydrophobicContact CB-CG2 4.1Å; M176-I193 HydrophobicContact CE-CD1 3.97Å; M176-I193 HydrophobicContact CE-CG1 3.97Å; M176-I193 HydrophobicContact CE-CG2 4.42Å; M176-I193 HydrophobicContact CG-CG2 3.85Å; M176-I193 HydrophobicContact SD-CD1 4.14Å; M176-I193 HydrophobicContact SD-CG1 4.24Å; M176-I193 HydrophobicContact SD-CG2 3.65Å; F180-I193 HydrophobicContact CD2-CG2 4.35Å; F180-I193 HydrophobicContact CE2-CG2 4.1Å; V185-I193 HydrophobicContact CG1-CD1 4.36Å; V187-I193 HydrophobicContact CG1-CD1 4.39Å; V187-I193 HydrophobicContact CG2-CD1 4.22Å; F190-I193 HydrophobicContact CB-CD1 4.01Å; F190-I193 HydrophobicContact CB-CG1 3.75Å; F190-I193 HydrophobicContact CD1-CD1 4.39Å; F190-I193 HydrophobicContact CD1-CG1 3.95Å; F190-I193 HydrophobicContact CD2-CD1 3.71Å; F190-I193 HydrophobicContact CD2-CG1 4.16Å; F190-I193 HydrophobicContact CE2-CD1 4.28Å; F190-I193 HydrophobicContact CG-CD1 3.77Å; F190-I193 HydrophobicContact CG-CG1 3.68Å; I193-V209 CarbonylContact O-C 3.56Å; I193-V209 WeakPolarHBondContact O-CA 3.29Å; I193-I210 HydrophobicContact CB-CB 4.36Å; I193-I210 PolarHBondContact N-O 3.05Å; I193-I210 PolarHBondContact O-N 2.92Å |
| 194 | F | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 154.5 | 165 | 72.9 | -86.4 | 0 | 0 | 0 | 112.7 | Q81 F82 V85 Y149 S174 D175 M176 L192 V208 V209 | Q81-F194 HydrophobicContact CB-CB 4.46Å; Q81-F194 HydrophobicContact CB-CD1 4.13Å; Q81-F194 HydrophobicContact CB-CD2 3.57Å; Q81-F194 HydrophobicContact CB-CE1 4.24Å; Q81-F194 HydrophobicContact CB-CE2 3.7Å; Q81-F194 HydrophobicContact CB-CG 3.79Å; Q81-F194 HydrophobicContact CB-CZ 4Å; Q81-F194 HydrophobicContact CG-CB 4.2Å; Q81-F194 HydrophobicContact CG-CD2 3.81Å; Q81-F194 HydrophobicContact CG-CE2 4.38Å; Q81-F194 HydrophobicContact CG-CG 4.01Å; F82-F194 HydrophobicContact CD1-CZ 4.1Å; F82-F194 HydrophobicContact CE1-CE2 4.36Å; F82-F194 HydrophobicContact CE1-CZ 4.01Å; V85-F194 HydrophobicContact CG2-CD1 4.24Å; V85-F194 HydrophobicContact CG2-CE1 4.23Å; Y149-F194 AromaticContact CE2-CE1 3.81Å; Y149-F194 HydrophobicContact CE2-CE1 3.81Å; Y149-F194 HydrophobicContact CE2-CZ 4.18Å; S174-F194 PolarHBondContact O-N 3.4Å; D175-F194 HydrophobicContact CB-CE1 3.78Å; D175-F194 HydrophobicContact CB-CE2 3.89Å; D175-F194 HydrophobicContact CB-CZ 3.4Å; M176-F194 PolarHBondContact N-O 3.05Å; L192-F194 HydrophobicContact CD2-CB 4.22Å; L192-F194 HydrophobicContact CD2-CD1 3.84Å; F194-V208 CarbonylContact C-O 3.44Å; F194-V208 WeakPolarHBondContact CA-O 3.41Å; F194-V208 WeakPolarHBondContact CB-O 3.3Å; F194-V209 HydrophobicContact CB-CG2 3.93Å |
| 195 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 121.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111.3 | F180 A197 T207 V208 | F180-A195 HydrophobicContact CB-CB 3.63Å; F180-A195 HydrophobicContact CD1-CB 3.83Å; F180-A195 HydrophobicContact CD2-CB 3.81Å; F180-A195 HydrophobicContact CE1-CB 4.4Å; F180-A195 HydrophobicContact CE2-CB 4.39Å; F180-A195 HydrophobicContact CG-CB 3.49Å; F180-A195 VanDerWaalsContact CG-CB 3.49Å; A195-A197 PolarHBondContact O-N 3.29Å; A195-T207 WeakPolarHBondContact O-CA 3.24Å; A195-V208 PolarHBondContact N-O 2.9Å; A195-V208 PolarHBondContact O-N 3.49Å |
| 196 | G | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 125.6 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | S177 Q198 | S177-G196 PolarHBondContact OG-N 3.36Å; S177-G196 VanDerWaalsContact OG-N 3.08Å; G196-Q198 VanDerWaalsContact C-N 3.27Å; G196-Q198 PolarHBondContact O-N 2.88Å; G196-Q198 PolarHBondContact O-OE1 3.34Å |
| 197 | A | 98 | Very high | 98.2 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -25.6 | -168.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | A195 K199 N200 V201 G202 V206 M250 | A195-A197 PolarHBondContact O-N 3.29Å; A197-K199 PolarHBondContact O-N 3Å; A197-N200 PolarHBondContact O-N 2.97Å; A197-V201 HydrophobicContact CB-CG2 4.1Å; A197-V201 PolarHBondContact O-N 3.38Å; A197-G202 CarbonylContact O-C 3.58Å; A197-G202 PolarHBondContact O-N 2.96Å; A197-V206 HydrophobicContact CB-CG1 3.61Å; A197-V206 WeakPolarHBondContact CB-O 3.07Å; A197-V206 PolarHBondContact N-O 3.07Å; A197-M250 HydrophobicContact CB-SD 4.13Å |
| 198 | Q | 98.1 | Very high | 98.2 | Very high | 44 Ų | 44 | 17.1 Ų | 17.1 | 21% | 0.206 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -8.3 | -168.8 | 77.2 | -79.3 | 8 | 0 | 0 | 116.3 | P13 A14 G196 G202 A204 | P13-Q198 WeakPolarHBondContact CA-O 3.49Å; A14-Q198 PolarHBondContact N-O 2.86Å; G196-Q198 VanDerWaalsContact C-N 3.27Å; G196-Q198 PolarHBondContact O-N 2.88Å; G196-Q198 PolarHBondContact O-OE1 3.34Å; Q198-G202 WeakPolarHBondContact CA-O 3.37Å; Q198-A204 HydrophobicContact CB-CB 3.8Å; Q198-A204 HydrophobicContact CG-CB 4.45Å |
| 199 | K | 97.8 | Very high | 98.2 | Very high | 16 Ų | 16 | 14.1 Ų | 14.1 | 7% | 0.07 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -55 | 179.9 | -64.4 | -171.4 | -171.9 | 168.3 | 0 | 111.4 | A14 T155 S177 S178 A197 Y345 | A14-K199 WeakPolarHBondContact CB-O 3.46Å; T155-K199 PolarHBondContact OG1-NZ 2.85Å; S177-K199 WeakPolarHBondContact O-CB 3.39Å; S178-K199 PolarHBondContact OG-NZ 3.03Å; A197-K199 PolarHBondContact O-N 3Å; K199-Y345 HydrophobicContact CB-CE1 4.09Å; K199-Y345 HydrophobicContact CB-CE2 4.28Å; K199-Y345 WeakPolarHBondContact O-CD2 3.3Å; K199-Y345 WeakPolarHBondContact O-CE2 3.47Å |
| 200 | N | 97.7 | Very high | 98.2 | Very high | 10 Ų | 10 | 9.8 Ų | 9.8 | 5% | 0.053 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.2 | -17.3 | -168.2 | -151.6 | 44.6 | 0 | 0 | 0 | 115.4 | F180 A197 Y345 N346 | F180-N200 PolarHBondContact O-ND2 3.49Å; A197-N200 PolarHBondContact O-N 2.97Å; N200-Y345 HydrophobicContact CB-CD1 4.19Å; N200-Y345 VanDerWaalsContact OD1-CA 3.25Å; N200-Y345 WeakPolarHBondContact OD1-CA 3.29Å; N200-Y345 WeakPolarHBondContact OD1-CB 3.38Å; N200-Y345 WeakPolarHBondContact OD1-CD1 3.35Å; N200-N346 VanDerWaalsContact ND2-CG 3.34Å; N200-N346 PolarHBondContact ND2-ND2 3.4Å; N200-N346 PolarHBondContact ND2-OD1 2.88Å; N200-N346 PolarHBondContact OD1-N 2.8Å |
| 201 | V | 96.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 9.7 Ų | 9.7 | 1% | 0.006 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -136.6 | 12.7 | -167 | -61 | 0 | 0 | 0 | 0 | 114.8 | F180 L181 A197 M250 V253 I257 | F180-V201 HydrophobicContact CD1-CB 4.48Å; F180-V201 HydrophobicContact CD1-CG1 3.92Å; F180-V201 HydrophobicContact CD1-CG2 3.84Å; F180-V201 HydrophobicContact CE1-CG2 4.45Å; F180-V201 WeakPolarHBondContact O-CG1 3.37Å; L181-V201 HydrophobicContact CB-CG1 3.96Å; L181-V201 HydrophobicContact CD1-CG1 4Å; L181-V201 HydrophobicContact CG-CG1 4.47Å; A197-V201 HydrophobicContact CB-CG2 4.1Å; A197-V201 PolarHBondContact O-N 3.38Å; V201-M250 HydrophobicContact CG2-SD 4.5Å; V201-M250 WeakPolarHBondContact O-CG 3.1Å; V201-V253 WeakPolarHBondContact O-CB 3.25Å; V201-I257 HydrophobicContact CG1-CD1 4.16Å |
| 202 | G | 96.1 | Very high | 98.2 | Very high | 4 Ų | 4 | 12.6 Ų | 12.6 | 4% | 0.041 | 8% | 0.08 | C | C | . | . | S | Bend | trans | 167.8 | -160.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | A197 Q198 | A197-G202 CarbonylContact O-C 3.58Å; A197-G202 PolarHBondContact O-N 2.96Å; Q198-G202 WeakPolarHBondContact CA-O 3.37Å |
| 203 | C | 96.6 | Very high | 98.2 | Very high | 30 Ų | 30 | 16.2 Ų | 16.2 | 20% | 0.203 | 10% | 0.097 | C | C | . | . | trans | -96 | 169.8 | 174.5 | 69.4 | 0 | 0 | 0 | 0 | 111.5 | I249 | C203-I249 HydrophobicContact CB-CG2 4.21Š| ||
| 204 | A | 97.6 | Very high | 98.2 | Very high | 54 Ų | 54 | 20.4 Ų | 20.4 | 45% | 0.446 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | 146.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q198 S246 | Q198-A204 HydrophobicContact CB-CB 3.8Å; Q198-A204 HydrophobicContact CG-CB 4.45Å; A204-S246 PolarHBondContact O-OG 2.92Å |
| 205 | G | 97.6 | Very high | 98.2 | Very high | 38 Ų | 38 | 20.8 Ų | 20.8 | 39% | 0.392 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 129 | -30.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | P243 | G205-P243 WeakPolarHBondContact O-CG 3.36Š|
| 206 | V | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.006 | 13% | 0.13 | C | C | . | . | trans | -117.6 | 142.4 | 178.9 | 67.8 | 0 | 0 | 0 | 0 | 112.2 | F73 L74 A197 P243 I247 M250 | F73-V206 HydrophobicContact CB-CG2 4.08Å; F73-V206 HydrophobicContact CD1-CG2 4.23Å; L74-V206 CarbonylContact O-C 3.46Å; A197-V206 HydrophobicContact CB-CG1 3.61Å; A197-V206 WeakPolarHBondContact CB-O 3.07Å; A197-V206 PolarHBondContact N-O 3.07Å; V206-P243 HydrophobicContact CB-CG 3.92Å; V206-P243 HydrophobicContact CG2-CG 4.19Å; V206-I247 HydrophobicContact CB-CG1 4.34Å; V206-I247 HydrophobicContact CG2-CG1 3.78Å; V206-M250 HydrophobicContact CG1-CB 4.4Å; V206-M250 HydrophobicContact CG1-CE 4.18Å; V206-M250 HydrophobicContact CG1-SD 4.05Å; V206-M250 HydrophobicContact CG2-CE 4.26Å | ||
| 207 | T | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 125.8 | 173.3 | -52 | 0 | 0 | 0 | 0 | 108.1 | L74 G77 Q81 A195 | L74-T207 PolarHBondContact N-O 3.14Å; L74-T207 PolarHBondContact O-N 3.18Å; G77-T207 WeakPolarHBondContact CA-OG1 3.47Å; G77-T207 PolarHBondContact N-OG1 3.47Å; Q81-T207 HydrophobicContact CG-CG2 3.73Å; A195-T207 WeakPolarHBondContact O-CA 3.24Å |
| 208 | V | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 134.3 | 172.4 | 178.6 | 0 | 0 | 0 | 0 | 108.2 | L59 V71 L72 F73 F180 F194 A195 I210 M250 | L59-V208 HydrophobicContact CD1-CG1 3.9Å; L59-V208 HydrophobicContact CD1-CG2 4.07Å; V71-V208 HydrophobicContact CG1-CG1 4.2Å; L72-V208 CarbonylContact O-C 3.56Å; L72-V208 WeakPolarHBondContact O-CA 3.47Å; F73-V208 HydrophobicContact CD1-CG2 4.29Å; F73-V208 HydrophobicContact CE1-CG2 4.27Å; F180-V208 HydrophobicContact CE1-CB 4.48Å; F180-V208 HydrophobicContact CE1-CG1 4.48Å; F180-V208 HydrophobicContact CZ-CG1 4.12Å; F194-V208 CarbonylContact C-O 3.44Å; F194-V208 WeakPolarHBondContact CA-O 3.41Å; F194-V208 WeakPolarHBondContact CB-O 3.3Å; A195-V208 PolarHBondContact N-O 2.9Å; A195-V208 PolarHBondContact O-N 3.49Å; V208-I210 HydrophobicContact CG1-CG1 4.04Å; V208-M250 HydrophobicContact CG2-CE 3.88Å; V208-M250 HydrophobicContact CG2-SD 3.54Å; V208-M250 VanDerWaalsContact CG2-SD 3.54Å |
| 209 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 123.5 | 166.1 | 177.9 | 0 | 0 | 0 | 0 | 108 | V71 L72 L74 Q81 L192 I193 F194 V211 Y229 | V71-V209 CarbonylContact C-O 3.33Å; V71-V209 WeakPolarHBondContact CA-O 3.37Å; L72-V209 HydrophobicContact CB-CB 4.19Å; L72-V209 HydrophobicContact CD1-CB 4.45Å; L72-V209 HydrophobicContact CD1-CG1 4.43Å; L72-V209 PolarHBondContact N-O 3.2Å; L72-V209 PolarHBondContact O-N 3.23Å; L74-V209 HydrophobicContact CD1-CB 4.43Å; L74-V209 HydrophobicContact CD1-CG2 3.79Å; L74-V209 HydrophobicContact CG-CG2 4.36Å; Q81-V209 HydrophobicContact CG-CG2 4.19Å; L192-V209 HydrophobicContact CD1-CG1 3.85Å; L192-V209 HydrophobicContact CD2-CG1 4.18Å; L192-V209 HydrophobicContact CG-CG1 3.92Å; I193-V209 CarbonylContact O-C 3.56Å; I193-V209 WeakPolarHBondContact O-CA 3.29Å; F194-V209 HydrophobicContact CB-CG2 3.93Å; V209-V211 HydrophobicContact CG1-CB 4.25Å; V209-Y229 HydrophobicContact CG1-CE1 4.18Å; V209-Y229 HydrophobicContact CG2-CE1 4.34Å |
| 210 | I | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 112.4 | 172.2 | -56.8 | 166.8 | 0 | 0 | 0 | 105.8 | L63 I65 Y69 K70 V71 F180 V187 L192 I193 V208 | L63-I210 HydrophobicContact CD1-CD1 3.71Å; I65-I210 HydrophobicContact CD1-CD1 3.63Å; I65-I210 HydrophobicContact CD1-CG1 4.08Å; I65-I210 HydrophobicContact CD1-CG2 4.36Å; I65-I210 HydrophobicContact CG1-CD1 4.33Å; I65-I210 HydrophobicContact CG2-CG2 3.92Å; Y69-I210 HydrophobicContact CD1-CG2 3.78Å; Y69-I210 HydrophobicContact CG-CG2 4.3Å; K70-I210 WeakPolarHBondContact O-CA 3.19Å; V71-I210 HydrophobicContact CG2-CG1 4.43Å; F180-I210 HydrophobicContact CE2-CD1 4.01Å; F180-I210 HydrophobicContact CZ-CD1 4Å; V187-I210 HydrophobicContact CG1-CG2 3.99Å; L192-I210 CarbonylContact C-O 3.45Å; L192-I210 VanDerWaalsContact CA-O 3.28Å; L192-I210 WeakPolarHBondContact CA-O 3.29Å; I193-I210 HydrophobicContact CB-CB 4.36Å; I193-I210 PolarHBondContact N-O 3.05Å; I193-I210 PolarHBondContact O-N 2.92Å; V208-I210 HydrophobicContact CG1-CG1 4.04Å |
| 211 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 135 | -173.1 | 59.6 | 0 | 0 | 0 | 0 | 110.6 | Y69 K70 L72 L192 V209 L215 L216 | Y69-V211 CarbonylContact C-O 3.57Å; Y69-V211 VanDerWaalsContact CA-O 3.29Å; Y69-V211 WeakPolarHBondContact CA-O 3.46Å; K70-V211 HydrophobicContact CB-CG1 4.12Å; K70-V211 PolarHBondContact N-O 3.24Å; K70-V211 PolarHBondContact O-N 3.01Å; L72-V211 HydrophobicContact CD1-CG1 4.01Å; L72-V211 HydrophobicContact CG-CG1 4.4Å; L192-V211 HydrophobicContact CD1-CB 4.15Å; L192-V211 HydrophobicContact CD1-CG2 4.02Å; L192-V211 HydrophobicContact CG-CB 4.34Å; V209-V211 HydrophobicContact CG1-CB 4.25Å; V211-L215 HydrophobicContact CG2-CB 4.31Å; V211-L216 HydrophobicContact CG1-CD2 3.93Å; V211-L216 HydrophobicContact CG2-CD2 4.19Å |
| 212 | R | 98.9 | Very high | 98.1 | Very high | 61 Ų | 61 | 42.7 Ų | 42.7 | 23% | 0.23 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 136.2 | 177.9 | -153.8 | 172.8 | 63 | -165.8 | 3.5 | 110 | Y69 G191 D214 L215 | Y69-R212 HydrophobicContact CD1-CB 3.96Å; Y69-R212 HydrophobicContact CD1-CG 4.32Å; Y69-R212 HydrophobicContact CD2-CG 4.28Å; Y69-R212 HydrophobicContact CE1-CB 3.62Å; Y69-R212 HydrophobicContact CE1-CG 3.89Å; Y69-R212 HydrophobicContact CE2-CB 4.47Å; Y69-R212 HydrophobicContact CE2-CG 3.83Å; Y69-R212 WeakPolarHBondContact OH-CD 3.19Å; G191-R212 PolarHBondContact O-N 3.39Å; R212-D214 VanDerWaalsContact C-N 3.3Å; R212-D214 VanDerWaalsContact CB-OD1 3.31Å; R212-D214 WeakPolarHBondContact CB-OD1 3.47Å; R212-D214 WeakPolarHBondContact CD-OD1 3.27Å; R212-D214 WeakPolarHBondContact CG-OD1 3.49Å; R212-D214 IonicContact CZ-OD1 3.7Å; R212-D214 IonicContact CZ-OD2 2.76Å; R212-D214 VanDerWaalsContact NE-CG 3.33Å; R212-D214 IonicContact NE-OD1 2.76Å; R212-D214 PolarHBondContact NE-OD1 2.8Å; R212-D214 IonicContact NE-OD2 3.64Å; R212-D214 PolarHBondContact NE-OD2 3.48Å; R212-D214 IonicContact NH2-OD1 2.7Å; R212-D214 IonicContact NH2-OD2 3.19Å; R212-D214 PolarHBondContact NH2-OD2 3.36Å; R212-D214 PolarHBondContact O-N 3.05Å; R212-L215 HydrophobicContact CB-CD1 4.08Å; R212-L215 HydrophobicContact CB-CG 4.25Å; R212-L215 WeakPolarHBondContact O-CB 3.32Å; R212-L215 PolarHBondContact O-N 2.87Å |
| 213 | E | 98.6 | Very high | 98.2 | Very high | 77 Ų | 77 | 43.2 Ų | 43.2 | 36% | 0.36 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -63.2 | -31.9 | -169.7 | -77.6 | -176.1 | -176.8 | 0 | 0 | 114.1 | N68 K70 L215 L216 | N68-E213 WeakPolarHBondContact O-CG 3.33Å; N68-E213 PolarHBondContact O-N 3.46Å; K70-E213 HydrophobicContact CD-CG 4.18Å; K70-E213 WeakPolarHBondContact CD-OE1 3.39Å; K70-E213 WeakPolarHBondContact CE-OE1 3.47Å; K70-E213 HydrophobicContact CG-CG 3.9Å; K70-E213 IonicContact NZ-OE1 3.36Å; K70-E213 PolarHBondContact NZ-OE1 2.98Å; E213-L215 PolarHBondContact O-N 2.8Å; E213-L216 WeakPolarHBondContact O-CB 3.29Å; E213-L216 PolarHBondContact O-N 3.39Å |
| 214 | D | 98.6 | Very high | 98.3 | Very high | 89 Ų | 89 | 44.9 Ų | 44.9 | 48% | 0.476 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -67 | -11.1 | 176.1 | 66.3 | -45.3 | 0 | 0 | 0 | 113.7 | R212 | R212-D214 VanDerWaalsContact C-N 3.3Å; R212-D214 VanDerWaalsContact CB-OD1 3.31Å; R212-D214 WeakPolarHBondContact CB-OD1 3.47Å; R212-D214 WeakPolarHBondContact CD-OD1 3.27Å; R212-D214 WeakPolarHBondContact CG-OD1 3.49Å; R212-D214 IonicContact CZ-OD1 3.7Å; R212-D214 IonicContact CZ-OD2 2.76Å; R212-D214 VanDerWaalsContact NE-CG 3.33Å; R212-D214 IonicContact NE-OD1 2.76Å; R212-D214 PolarHBondContact NE-OD1 2.8Å; R212-D214 IonicContact NE-OD2 3.64Å; R212-D214 PolarHBondContact NE-OD2 3.48Å; R212-D214 IonicContact NH2-OD1 2.7Å; R212-D214 IonicContact NH2-OD2 3.19Å; R212-D214 PolarHBondContact NH2-OD2 3.36Å; R212-D214 PolarHBondContact O-N 3.05Å |
| 215 | L | 98.8 | Very high | 98.3 | Very high | 9 Ų | 9 | 46 Ų | 46 | 5% | 0.047 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -95.6 | -2.9 | 177.9 | -55.3 | 178.4 | 0 | 0 | 0 | 112.9 | L89 L92 V171 G191 V211 R212 E213 | L89-L215 HydrophobicContact CD2-CB 3.94Å; L92-L215 HydrophobicContact CD1-CD2 3.99Å; L92-L215 HydrophobicContact CD2-CD2 4.32Å; V171-L215 HydrophobicContact CG1-CD1 3.72Å; V171-L215 HydrophobicContact CG1-CD2 4.39Å; V171-L215 HydrophobicContact CG2-CD2 3.89Å; G191-L215 VanDerWaalsContact CA-CD1 3.49Å; G191-L215 WeakPolarHBondContact O-CD1 3.42Å; V211-L215 HydrophobicContact CG2-CB 4.31Å; R212-L215 HydrophobicContact CB-CD1 4.08Å; R212-L215 HydrophobicContact CB-CG 4.25Å; R212-L215 WeakPolarHBondContact O-CB 3.32Å; R212-L215 PolarHBondContact O-N 2.87Å; E213-L215 PolarHBondContact O-N 2.8Å |
| 216 | L | 98.8 | Very high | 98.3 | Very high | 33 Ų | 33 | 47.5 Ų | 47.5 | 17% | 0.173 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | 156.6 | 175.4 | -57.1 | 179 | 0 | 0 | 0 | 110.9 | K70 V211 E213 H218 T230 A233 | K70-L216 HydrophobicContact CG-CD1 3.93Å; V211-L216 HydrophobicContact CG1-CD2 3.93Å; V211-L216 HydrophobicContact CG2-CD2 4.19Å; E213-L216 WeakPolarHBondContact O-CB 3.29Å; E213-L216 PolarHBondContact O-N 3.39Å; L216-H218 PolarHBondContact O-CD2 3.47Å; L216-H218 VanDerWaalsContact O-CD2 3.3Å; L216-T230 HydrophobicContact CB-CG2 4.42Å; L216-A233 HydrophobicContact CD1-CB 3.83Å |
| 217 | G | 98.2 | Very high | 98.3 | Very high | 58 Ų | 58 | 48.9 Ų | 48.9 | 60% | 0.598 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.2 | 5.5 | -180 | 0 | 0 | 0 | 0 | 0 | 115.2 | T230 | G217-T230 WeakPolarHBondContact CA-OG1 3.38Å; G217-T230 PolarHBondContact N-OG1 3.3Å |
| 218 | H | 97.4 | Very high | 98.3 | Very high | 84 Ų | 84 | 50.3 Ų | 50.3 | 39% | 0.389 | 27% | 0.269 | S | S | . | . | trans | -108.1 | 13.6 | -176.5 | -64.7 | -72.9 | 0 | 0 | 0 | 114.5 | N88 L92 L216 L220 | N88-H218 CarbonylContact O-C 3.39Å; L92-H218 HydrophobicContact CD2-CB 3.9Å; L92-H218 VanDerWaalsContact CD2-CD2 3.49Å; L92-H218 WeakPolarHBondContact CD2-CD2 3.46Å; L216-H218 PolarHBondContact O-CD2 3.47Å; L216-H218 VanDerWaalsContact O-CD2 3.3Å; H218-L220 PolarHBondContact O-N 2.81Å | ||
| 219 | A | 98.3 | Very high | 98.3 | Very high | 29 Ų | 29 | 50.3 Ų | 50.3 | 24% | 0.24 | 27% | 0.269 | C | S | . | . | trans | -58.7 | 136.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L87 C223 | L87-A219 WeakPolarHBondContact O-CA 3.35Å; A219-C223 HydrophobicContact CB-CB 4.07Å | ||
| 220 | L | 98.3 | Very high | 98.3 | Very high | 13 Ų | 13 | 51.6 Ų | 51.6 | 7% | 0.068 | 28% | 0.277 | C | S | . | . | trans | -62.6 | 151.7 | 171.3 | -64.8 | -177.4 | 0 | 0 | 0 | 110.1 | L87 I90 H218 E222 C223 | L87-L220 HydrophobicContact CD2-CD1 4.43Å; L87-L220 PolarHBondContact O-N 3.28Å; I90-L220 HydrophobicContact CG2-CD1 3.77Å; I90-L220 HydrophobicContact CG2-CD2 4.44Å; I90-L220 HydrophobicContact CG2-CG 4.34Å; H218-L220 PolarHBondContact O-N 2.81Å; L220-E222 HydrophobicContact CB-CG 4.17Å; L220-E222 PolarHBondContact O-N 3.01Å; L220-C223 WeakPolarHBondContact O-CB 3.42Å; L220-C223 PolarHBondContact O-N 2.9Å | ||
| 221 | K | 97 | Very high | 98.3 | Very high | 210 Ų | 210 | 52.9 Ų | 52.9 | 91% | 0.913 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -33 | -179.4 | -176.2 | 178.7 | 177.2 | -179 | 0 | 112.7 | C223 | K221-C223 VanDerWaalsContact C-N 3.28Š|
| 222 | E | 96.7 | Very high | 98.3 | Very high | 105 Ų | 105 | 53 Ų | 53 | 49% | 0.491 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -3.3 | 176.6 | 60.1 | -94.1 | -143.8 | 0 | 0 | 114.1 | L87 L220 P224 | L87-E222 HydrophobicContact CD2-CG 4.11Å; L220-E222 HydrophobicContact CB-CG 4.17Å; L220-E222 PolarHBondContact O-N 3.01Å; E222-P224 VanDerWaalsContact O-CD 3.27Å; E222-P224 WeakPolarHBondContact O-CD 3.41Å |
| 223 | C | 98.5 | Very high | 98.3 | Very high | 15 Ų | 15 | 50.5 Ų | 50.5 | 10% | 0.101 | 28% | 0.278 | C | S | . | . | trans | -64.7 | 119 | 178.3 | -173.8 | 0 | 0 | 0 | 0 | 110.2 | L87 A219 L220 K221 I225 | L87-C223 HydrophobicContact CB-CB 4.14Å; L87-C223 HydrophobicContact CD2-CB 4.25Å; A219-C223 HydrophobicContact CB-CB 4.07Å; L220-C223 WeakPolarHBondContact O-CB 3.42Å; L220-C223 PolarHBondContact O-N 2.9Å; K221-C223 VanDerWaalsContact C-N 3.28Å; C223-I225 PolarHBondContact O-N 3.25Å | ||
| 224 | P | 98 | Very high | 98.3 | Very high | 64 Ų | 64 | 53.6 Ų | 53.6 | 42% | 0.416 | 29% | 0.292 | S | S | . | . | trans | -63 | 139.4 | 174 | -20.6 | 33.5 | 0 | 0 | 0 | 110.3 | E222 V226 L227 D228 | E222-P224 VanDerWaalsContact O-CD 3.27Å; E222-P224 WeakPolarHBondContact O-CD 3.41Å; P224-V226 HydrophobicContact CB-CG2 4.2Å; P224-V226 PolarHBondContact O-N 3.31Å; P224-L227 WeakPolarHBondContact O-CA 3.4Å; P224-L227 PolarHBondContact O-N 2.71Å; P224-D228 PolarHBondContact O-N 3.12Å | ||
| 225 | I | 97.9 | Very high | 98.2 | Very high | 79 Ų | 79 | 52.7 Ų | 52.7 | 41% | 0.405 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -26.3 | -176.7 | -167.1 | 154.4 | 0 | 0 | 0 | 114.6 | C223 L227 D228 V231 Q232 Y239 | C223-I225 PolarHBondContact O-N 3.25Å; I225-L227 VanDerWaalsContact C-N 3.25Å; I225-L227 PolarHBondContact O-N 2.86Å; I225-D228 PolarHBondContact O-N 3.19Å; I225-V231 HydrophobicContact CD1-CG1 4.31Å; I225-V231 HydrophobicContact CD1-CG2 4.48Å; I225-V231 HydrophobicContact CG1-CB 4.34Å; I225-V231 HydrophobicContact CG1-CG1 3.87Å; I225-V231 HydrophobicContact CG1-CG2 4.18Å; I225-Q232 PolarHBondContact O-NE2 3.15Å; I225-Y239 HydrophobicContact CB-CE1 4.47Å; I225-Y239 HydrophobicContact CD1-CE1 4.29Å; I225-Y239 HydrophobicContact CD1-CE2 3.69Å; I225-Y239 VanDerWaalsContact CD1-CZ 3.5Å; I225-Y239 VanDerWaalsContact CD1-OH 3.28Å; I225-Y239 WeakPolarHBondContact CD1-OH 3.44Å; I225-Y239 HydrophobicContact CG1-CE1 3.95Å; I225-Y239 HydrophobicContact CG1-CE2 4Å; I225-Y239 HydrophobicContact CG2-CE1 3.75Å |
| 226 | V | 97.5 | Very high | 98.2 | Very high | 68 Ų | 68 | 57.3 Ų | 57.3 | 41% | 0.412 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -14.2 | 175.9 | -62.9 | 0 | 0 | 0 | 0 | 113.8 | P224 | P224-V226 HydrophobicContact CB-CG2 4.2Å; P224-V226 PolarHBondContact O-N 3.31Å |
| 227 | L | 98.3 | Very high | 98.2 | Very high | 30 Ų | 30 | 55.8 Ų | 55.8 | 16% | 0.157 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | -6.1 | 175.5 | -65.9 | 179.7 | 0 | 0 | 0 | 112.9 | L87 N88 P224 I225 Y229 | L87-L227 HydrophobicContact CD1-CD1 3.98Å; N88-L227 PolarHBondContact ND2-O 3.06Å; P224-L227 WeakPolarHBondContact O-CA 3.4Å; P224-L227 PolarHBondContact O-N 2.71Å; I225-L227 VanDerWaalsContact C-N 3.25Å; I225-L227 PolarHBondContact O-N 2.86Å; L227-Y229 PolarHBondContact O-N 3.04Å |
| 228 | D | 98.8 | Very high | 98.2 | Very high | 30 Ų | 30 | 53.8 Ų | 53.8 | 16% | 0.16 | 28% | 0.278 | C | S | . | . | trans | -71.3 | 110.6 | 176.2 | -173.5 | -35.5 | 0 | 0 | 0 | 110.5 | P224 I225 T230 V231 Q232 | P224-D228 PolarHBondContact O-N 3.12Å; I225-D228 PolarHBondContact O-N 3.19Å; D228-T230 PolarHBondContact O-N 3.46Å; D228-T230 WeakPolarHBondContact OD1-CA 3.35Å; D228-T230 WeakPolarHBondContact OD1-CB 3.35Å; D228-T230 PolarHBondContact OD1-N 3.02Å; D228-T230 PolarHBondContact OD1-OG1 3.33Å; D228-T230 VanDerWaalsContact OD1-OG1 3.06Å; D228-V231 HydrophobicContact CB-CB 4.22Å; D228-V231 HydrophobicContact CB-CG2 4.11Å; D228-V231 PolarHBondContact O-N 3.03Å; D228-V231 PolarHBondContact OD1-N 3.49Å; D228-Q232 VanDerWaalsContact O-CG 3.26Å; D228-Q232 WeakPolarHBondContact O-CG 2.94Å; D228-Q232 PolarHBondContact O-N 2.97Å | ||
| 229 | Y | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 54 Ų | 54 | 0% | 0.004 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.1 | -26 | -176.2 | -62.4 | -32 | 0 | 0 | 0 | 113.3 | L72 L74 Q81 V85 N88 L192 V209 L227 A233 | L72-Y229 HydrophobicContact CD1-CD1 3.84Å; L72-Y229 HydrophobicContact CD1-CG 4.15Å; L74-Y229 HydrophobicContact CD1-CD1 4.02Å; L74-Y229 HydrophobicContact CD1-CE1 3.74Å; Q81-Y229 PolarHBondContact OE1-OH 3.39Å; V85-Y229 PolarHBondContact N-OH 3.44Å; N88-Y229 HydrophobicContact CB-CD2 3.43Å; N88-Y229 VanDerWaalsContact CB-CD2 3.43Å; N88-Y229 HydrophobicContact CB-CE2 3.6Å; N88-Y229 HydrophobicContact CB-CG 4.27Å; N88-Y229 PolarHBondContact OD1-N 3.5Å; L192-Y229 HydrophobicContact CD1-CD2 4.01Å; L192-Y229 HydrophobicContact CD1-CE2 3.33Å; V209-Y229 HydrophobicContact CG1-CE1 4.18Å; V209-Y229 HydrophobicContact CG2-CE1 4.34Å; L227-Y229 PolarHBondContact O-N 3.04Å; Y229-A233 WeakPolarHBondContact O-CB 3.25Å; Y229-A233 PolarHBondContact O-N 3.49Å |
| 230 | T | 98.8 | Very high | 98.2 | Very high | 28 Ų | 28 | 55.8 Ų | 55.8 | 17% | 0.172 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66 | -51.7 | 176.7 | -38.5 | 0 | 0 | 0 | 0 | 109.5 | L216 G217 D228 Q232 A233 E234 | L216-T230 HydrophobicContact CB-CG2 4.42Å; G217-T230 WeakPolarHBondContact CA-OG1 3.38Å; G217-T230 PolarHBondContact N-OG1 3.3Å; D228-T230 PolarHBondContact O-N 3.46Å; D228-T230 WeakPolarHBondContact OD1-CA 3.35Å; D228-T230 WeakPolarHBondContact OD1-CB 3.35Å; D228-T230 PolarHBondContact OD1-N 3.02Å; D228-T230 PolarHBondContact OD1-OG1 3.33Å; D228-T230 VanDerWaalsContact OD1-OG1 3.06Å; T230-Q232 VanDerWaalsContact C-N 3.32Å; T230-Q232 PolarHBondContact O-N 3.01Å; T230-A233 WeakPolarHBondContact O-CB 3.39Å; T230-A233 PolarHBondContact O-N 3.3Å; T230-A233 VanDerWaalsContact O-N 3.16Å; T230-E234 WeakPolarHBondContact O-CG 3.18Å; T230-E234 PolarHBondContact O-N 3.24Å |
| 231 | V | 98.8 | Very high | 98.2 | Very high | 27 Ų | 27 | 59.4 Ų | 59.4 | 16% | 0.164 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.6 | -42.1 | 178.8 | 175.4 | 0 | 0 | 0 | 0 | 110.9 | I225 D228 A233 M235 Y239 | I225-V231 HydrophobicContact CD1-CG1 4.31Å; I225-V231 HydrophobicContact CD1-CG2 4.48Å; I225-V231 HydrophobicContact CG1-CB 4.34Å; I225-V231 HydrophobicContact CG1-CG1 3.87Å; I225-V231 HydrophobicContact CG1-CG2 4.18Å; D228-V231 HydrophobicContact CB-CB 4.22Å; D228-V231 HydrophobicContact CB-CG2 4.11Å; D228-V231 PolarHBondContact O-N 3.03Å; D228-V231 PolarHBondContact OD1-N 3.49Å; V231-A233 VanDerWaalsContact C-N 3.34Å; V231-A233 PolarHBondContact O-N 2.83Å; V231-M235 WeakPolarHBondContact O-CB 3.25Å; V231-M235 WeakPolarHBondContact O-CG 3.23Å; V231-M235 PolarHBondContact O-N 3.13Å; V231-Y239 HydrophobicContact CG1-CD2 3.41Å; V231-Y239 VanDerWaalsContact CG1-CD2 3.41Å; V231-Y239 HydrophobicContact CG1-CE2 3.95Å; V231-Y239 HydrophobicContact CG1-CG 3.85Å |
| 232 | Q | 98.8 | Very high | 98.2 | Very high | 4 Ų | 4 | 49.7 Ų | 49.7 | 2% | 0.019 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.9 | -38.4 | 177.3 | -63.4 | -58.6 | -36.7 | 0 | 0 | 111.8 | L72 L74 I225 D228 T230 N236 S237 | L72-Q232 HydrophobicContact CD1-CB 4.08Å; L72-Q232 HydrophobicContact CD2-CB 4.28Å; L74-Q232 HydrophobicContact CD2-CB 3.93Å; L74-Q232 HydrophobicContact CD2-CG 3.59Å; I225-Q232 PolarHBondContact O-NE2 3.15Å; D228-Q232 VanDerWaalsContact O-CG 3.26Å; D228-Q232 WeakPolarHBondContact O-CG 2.94Å; D228-Q232 PolarHBondContact O-N 2.97Å; T230-Q232 VanDerWaalsContact C-N 3.32Å; T230-Q232 PolarHBondContact O-N 3.01Å; Q232-N236 PolarHBondContact O-N 3.26Å; Q232-N236 VanDerWaalsContact O-N 3.17Å; Q232-S237 PolarHBondContact O-N 2.81Å |
| 233 | A | 98.8 | Very high | 98.2 | Very high | 8 Ų | 8 | 45.6 Ų | 45.6 | 7% | 0.066 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.8 | -49 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | K70 L72 L216 Y229 T230 V231 M235 N236 | K70-A233 HydrophobicContact CB-CB 4.23Å; K70-A233 HydrophobicContact CD-CB 4.43Å; K70-A233 HydrophobicContact CG-CB 3.81Å; L72-A233 HydrophobicContact CD2-CB 4.03Å; L216-A233 HydrophobicContact CD1-CB 3.83Å; Y229-A233 WeakPolarHBondContact O-CB 3.25Å; Y229-A233 PolarHBondContact O-N 3.49Å; T230-A233 WeakPolarHBondContact O-CB 3.39Å; T230-A233 PolarHBondContact O-N 3.3Å; T230-A233 VanDerWaalsContact O-N 3.16Å; V231-A233 VanDerWaalsContact C-N 3.34Å; V231-A233 PolarHBondContact O-N 2.83Å; A233-M235 PolarHBondContact O-N 2.8Å; A233-N236 PolarHBondContact O-N 2.86Å; A233-N236 VanDerWaalsContact O-N 3.12Å |
| 234 | E | 98.5 | Very high | 98.2 | Very high | 141 Ų | 141 | 45.8 Ų | 45.8 | 66% | 0.659 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -60.8 | -35.3 | 179.5 | -72.1 | 175.3 | 172 | 0 | 0 | 112.2 | T230 | T230-E234 WeakPolarHBondContact O-CG 3.18Å; T230-E234 PolarHBondContact O-N 3.24Å |
| 235 | M | 98.3 | Very high | 98.2 | Very high | 71 Ų | 71 | 45.7 Ų | 45.7 | 35% | 0.35 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 7.7 | 180 | -63.1 | -63.8 | -73.4 | 0 | 0 | 113.6 | V231 A233 S237 L238 Y239 | V231-M235 WeakPolarHBondContact O-CB 3.25Å; V231-M235 WeakPolarHBondContact O-CG 3.23Å; V231-M235 PolarHBondContact O-N 3.13Å; A233-M235 PolarHBondContact O-N 2.8Å; M235-S237 VanDerWaalsContact C-N 3.27Å; M235-S237 PolarHBondContact O-N 3.34Å; M235-L238 WeakPolarHBondContact O-CA 3.14Å; M235-L238 VanDerWaalsContact O-CB 3.29Å; M235-L238 WeakPolarHBondContact O-CB 3.46Å; M235-L238 PolarHBondContact O-N 2.96Å; M235-Y239 HydrophobicContact CG-CD2 4.19Å |
| 236 | N | 97.9 | Very high | 98.2 | Very high | 105 Ų | 105 | 42.6 Ų | 42.6 | 56% | 0.561 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52 | 41.7 | -177.7 | -58.1 | -63.4 | 0 | 0 | 0 | 113.3 | Q232 A233 L238 | Q232-N236 PolarHBondContact O-N 3.26Å; Q232-N236 VanDerWaalsContact O-N 3.17Å; A233-N236 PolarHBondContact O-N 2.86Å; A233-N236 VanDerWaalsContact O-N 3.12Å; N236-L238 PolarHBondContact O-N 2.91Å |
| 237 | S | 98.4 | Very high | 98.3 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.014 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | 15.8 | -173.7 | -45.9 | 0 | 0 | 0 | 0 | 115.2 | L72 F73 Q232 M235 | L72-S237 VanDerWaalsContact CA-OG 3.27Å; L72-S237 WeakPolarHBondContact CA-OG 3.48Å; F73-S237 PolarHBondContact N-OG 3.47Å; Q232-S237 PolarHBondContact O-N 2.81Å; M235-S237 VanDerWaalsContact C-N 3.27Å; M235-S237 PolarHBondContact O-N 3.34Å |
| 238 | L | 98.1 | Very high | 98.3 | Very high | 15 Ų | 15 | 38.3 Ų | 38.3 | 8% | 0.079 | 20% | 0.2 | C | C | . | . | trans | -112.4 | 35 | 178.4 | -52.2 | 176.2 | 0 | 0 | 0 | 110.1 | R44 F48 I52 M235 N236 P242 | R44-L238 VanDerWaalsContact NH1-CB 3.33Å; R44-L238 PolarHBondContact NH1-O 2.98Å; R44-L238 PolarHBondContact NH2-O 3.38Å; F48-L238 HydrophobicContact CD1-CD2 4.35Å; F48-L238 HydrophobicContact CE1-CD2 3.82Å; I52-L238 HydrophobicContact CD1-CD2 3.79Å; I52-L238 HydrophobicContact CD1-CG 4.36Å; M235-L238 WeakPolarHBondContact O-CA 3.14Å; M235-L238 VanDerWaalsContact O-CB 3.29Å; M235-L238 WeakPolarHBondContact O-CB 3.46Å; M235-L238 PolarHBondContact O-N 2.96Å; N236-L238 PolarHBondContact O-N 2.91Å; L238-P242 HydrophobicContact CD2-CB 4.45Å; L238-P242 HydrophobicContact CD2-CG 3.74Å | ||
| 239 | Y | 97.9 | Very high | 98.3 | Very high | 89 Ų | 89 | 37.2 Ų | 37.2 | 35% | 0.349 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -63.2 | -52.5 | 175 | 171.1 | -99.3 | 0 | 0 | 0 | 110.3 | I225 V231 M235 | I225-Y239 HydrophobicContact CB-CE1 4.47Å; I225-Y239 HydrophobicContact CD1-CE1 4.29Å; I225-Y239 HydrophobicContact CD1-CE2 3.69Å; I225-Y239 VanDerWaalsContact CD1-CZ 3.5Å; I225-Y239 VanDerWaalsContact CD1-OH 3.28Å; I225-Y239 WeakPolarHBondContact CD1-OH 3.44Å; I225-Y239 HydrophobicContact CG1-CE1 3.95Å; I225-Y239 HydrophobicContact CG1-CE2 4Å; I225-Y239 HydrophobicContact CG2-CE1 3.75Å; V231-Y239 HydrophobicContact CG1-CD2 3.41Å; V231-Y239 VanDerWaalsContact CG1-CD2 3.41Å; V231-Y239 HydrophobicContact CG1-CE2 3.95Å; V231-Y239 HydrophobicContact CG1-CG 3.85Å; M235-Y239 HydrophobicContact CG-CD2 4.19Å |
| 240 | N | 97.8 | Very high | 98.3 | Very high | 66 Ų | 66 | 37.2 Ų | 37.2 | 35% | 0.353 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -114.9 | -175.5 | 169.2 | 70 | -32.2 | 0 | 0 | 0 | 110.4 | P242 | N240-P242 VanDerWaalsContact O-CD 3.25Å; N240-P242 WeakPolarHBondContact O-CD 3.5Å |
| 241 | T | 98.1 | Very high | 98.3 | Very high | 89 Ų | 89 | 36.1 Ų | 36.1 | 55% | 0.546 | 19% | 0.188 | S | C | . | . | trans | -61.9 | 115.9 | 176.3 | -50.7 | 0 | 0 | 0 | 0 | 110.4 | Q75 | Q75-T241 PolarHBondContact NE2-O 3.14Å; Q75-T241 VanDerWaalsContact NE2-O 3.1Å | ||
| 242 | P | 97.4 | Very high | 98.3 | Very high | 7 Ų | 7 | 35.4 Ų | 35.4 | 5% | 0.045 | 18% | 0.183 | C | C | . | . | trans | -78.8 | 168.7 | 179.3 | 36.5 | -38 | 0 | 0 | 0 | 110.9 | H43 F48 L238 N240 C244 I247 | H43-P242 VanDerWaalsContact CB-CD 3.46Å; H43-P242 HydrophobicContact CB-CG 3.82Å; F48-P242 HydrophobicContact CE1-CG 3.68Å; F48-P242 HydrophobicContact CZ-CG 3.85Å; L238-P242 HydrophobicContact CD2-CB 4.45Å; L238-P242 HydrophobicContact CD2-CG 3.74Å; N240-P242 VanDerWaalsContact O-CD 3.25Å; N240-P242 WeakPolarHBondContact O-CD 3.5Å; P242-C244 PolarHBondContact O-N 3.27Å; P242-I247 HydrophobicContact CB-CD1 3.84Å; P242-I247 HydrophobicContact CG-CD1 4.46Å | ||
| 243 | P | 97.5 | Very high | 98.3 | Very high | 19 Ų | 19 | 35.4 Ų | 35.4 | 12% | 0.123 | 18% | 0.184 | C | C | . | . | trans | -75.7 | 73.7 | 174.5 | 33.5 | -35.9 | 0 | 0 | 0 | 110.2 | Q75 G205 V206 F245 S246 I247 | Q75-P243 HydrophobicContact CG-CB 4.31Å; Q75-P243 HydrophobicContact CG-CG 3.91Å; G205-P243 WeakPolarHBondContact O-CG 3.36Å; V206-P243 HydrophobicContact CB-CG 3.92Å; V206-P243 HydrophobicContact CG2-CG 4.19Å; P243-F245 VanDerWaalsContact C-N 3.34Å; P243-F245 PolarHBondContact O-N 3.03Å; P243-S246 PolarHBondContact O-N 2.62Å; P243-I247 HydrophobicContact CG-CD1 4.32Å; P243-I247 HydrophobicContact CG-CG1 4.38Å; P243-I247 PolarHBondContact O-N 3.43Å | ||
| 244 | C | 97.8 | Very high | 98.3 | Very high | 18 Ų | 18 | 35 Ų | 35 | 12% | 0.122 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -49.9 | -49.1 | -168.5 | -63.7 | 0 | 0 | 0 | 0 | 113.4 | F48 P242 S246 I247 Y248 | F48-C244 HydrophobicContact CD2-CB 4.02Å; F48-C244 VanDerWaalsContact CE2-CA 3.46Å; F48-C244 HydrophobicContact CE2-CB 3.41Å; F48-C244 VanDerWaalsContact CE2-CB 3.41Å; F48-C244 HydrophobicContact CZ-CB 3.93Å; P242-C244 PolarHBondContact O-N 3.27Å; C244-S246 PolarHBondContact O-N 3.36Å; C244-I247 PolarHBondContact O-N 3Å; C244-Y248 PolarHBondContact O-N 3.33Å |
| 245 | F | 98.3 | Very high | 98.3 | Very high | 63 Ų | 63 | 30.8 Ų | 30.8 | 28% | 0.276 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -66.5 | -36.7 | -179.5 | -170.7 | -114.1 | 0 | 0 | 0 | 113 | L28 V38 L39 P243 Y248 I249 | L28-F245 HydrophobicContact CD1-CE2 4.18Å; L28-F245 HydrophobicContact CD1-CZ 4.44Å; V38-F245 HydrophobicContact CG1-CD2 3.56Å; V38-F245 HydrophobicContact CG1-CE2 3.8Å; L39-F245 HydrophobicContact CD2-CB 3.59Å; L39-F245 HydrophobicContact CD2-CD2 4.1Å; L39-F245 HydrophobicContact CD2-CG 3.83Å; L39-F245 HydrophobicContact CG-CB 4.49Å; L39-F245 HydrophobicContact CG-CD2 4.2Å; L39-F245 HydrophobicContact CG-CG 4.43Å; P243-F245 VanDerWaalsContact C-N 3.34Å; P243-F245 PolarHBondContact O-N 3.03Å; F245-Y248 AromaticContact CD2-CD1 3.98Å; F245-Y248 HydrophobicContact CD2-CD1 3.98Å; F245-Y248 AromaticContact CE2-CD1 3.96Å; F245-Y248 HydrophobicContact CE2-CD1 3.96Å; F245-Y248 HydrophobicContact CE2-CE1 4.17Å; F245-Y248 WeakPolarHBondContact O-CB 3.14Å; F245-Y248 PolarHBondContact O-N 3.42Å; F245-I249 HydrophobicContact CD1-CG1 4.21Å; F245-I249 HydrophobicContact CE1-CD1 4.25Å; F245-I249 HydrophobicContact CE1-CG1 3.87Å; F245-I249 HydrophobicContact CE2-CD1 4.27Å; F245-I249 HydrophobicContact CE2-CG1 4.33Å; F245-I249 HydrophobicContact CZ-CD1 3.87Å; F245-I249 HydrophobicContact CZ-CG1 3.95Å; F245-I249 WeakPolarHBondContact O-CG1 3.27Å; F245-I249 PolarHBondContact O-N 3.05Å |
| 246 | S | 98.6 | Very high | 98.4 | Very high | 14 Ų | 14 | 29.9 Ų | 29.9 | 10% | 0.098 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -69.2 | -37.5 | 178.3 | -50.7 | 0 | 0 | 0 | 0 | 112 | A204 P243 C244 M250 | A204-S246 PolarHBondContact O-OG 2.92Å; P243-S246 PolarHBondContact O-N 2.62Å; C244-S246 PolarHBondContact O-N 3.36Å; S246-M250 WeakPolarHBondContact O-CB 3.05Å; S246-M250 PolarHBondContact O-N 3.15Å |
| 247 | I | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64 | -44.7 | 172.5 | -67 | 165.1 | 0 | 0 | 0 | 110 | F48 I51 I52 F73 V206 P242 P243 C244 M250 G251 | F48-I247 HydrophobicContact CZ-CD1 4.09Å; I51-I247 HydrophobicContact CG2-CG2 4.26Å; I52-I247 HydrophobicContact CB-CG2 4.4Å; I52-I247 HydrophobicContact CD1-CD1 4.38Å; I52-I247 HydrophobicContact CG1-CG2 4.32Å; F73-I247 HydrophobicContact CB-CD1 3.87Å; F73-I247 HydrophobicContact CB-CG1 4.19Å; F73-I247 HydrophobicContact CG-CD1 4.39Å; F73-I247 HydrophobicContact CG-CG1 4.44Å; V206-I247 HydrophobicContact CB-CG1 4.34Å; V206-I247 HydrophobicContact CG2-CG1 3.78Å; P242-I247 HydrophobicContact CB-CD1 3.84Å; P242-I247 HydrophobicContact CG-CD1 4.46Å; P243-I247 HydrophobicContact CG-CD1 4.32Å; P243-I247 HydrophobicContact CG-CG1 4.38Å; P243-I247 PolarHBondContact O-N 3.43Å; C244-I247 PolarHBondContact O-N 3Å; I247-M250 PolarHBondContact O-N 3.24Å; I247-G251 PolarHBondContact O-N 2.95Å |
| 248 | Y | 98.7 | Very high | 98.4 | Very high | 8 Ų | 8 | 28.6 Ų | 28.6 | 3% | 0.031 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57.6 | -52 | 175.4 | 164.6 | -104.3 | 0 | 0 | 0 | 112.7 | A24 E27 Y31 V38 I51 C244 F245 M250 G251 L252 | A24-Y248 HydrophobicContact CB-CE1 4.11Å; E27-Y248 WeakPolarHBondContact CB-OH 3.3Å; E27-Y248 WeakPolarHBondContact OE2-CE2 3.5Å; E27-Y248 PolarHBondContact OE2-OH 3.2Å; Y31-Y248 HydrophobicContact CD2-CE2 4.2Å; Y31-Y248 HydrophobicContact CE2-CD2 4.18Å; Y31-Y248 AromaticContact CE2-CE2 3.74Å; Y31-Y248 HydrophobicContact CE2-CE2 3.74Å; V38-Y248 HydrophobicContact CG1-CD1 4.13Å; V38-Y248 HydrophobicContact CG1-CE1 4.27Å; V38-Y248 HydrophobicContact CG2-CD1 4.21Å; V38-Y248 HydrophobicContact CG2-CD2 4.14Å; V38-Y248 HydrophobicContact CG2-CG 3.82Å; I51-Y248 HydrophobicContact CD1-CD2 4.3Å; C244-Y248 PolarHBondContact O-N 3.33Å; F245-Y248 AromaticContact CD2-CD1 3.98Å; F245-Y248 HydrophobicContact CD2-CD1 3.98Å; F245-Y248 AromaticContact CE2-CD1 3.96Å; F245-Y248 HydrophobicContact CE2-CD1 3.96Å; F245-Y248 HydrophobicContact CE2-CE1 4.17Å; F245-Y248 WeakPolarHBondContact O-CB 3.14Å; F245-Y248 PolarHBondContact O-N 3.42Å; Y248-M250 VanDerWaalsContact C-N 3.32Å; Y248-M250 PolarHBondContact O-N 2.59Å; Y248-G251 PolarHBondContact O-N 2.95Å; Y248-G251 VanDerWaalsContact O-N 3.12Å; Y248-L252 HydrophobicContact CE1-CD1 3.89Å; Y248-L252 HydrophobicContact CE2-CD1 4.09Å; Y248-L252 HydrophobicContact CE2-CD2 4.18Å; Y248-L252 HydrophobicContact CE2-CG 4.11Å; Y248-L252 PolarHBondContact O-N 3.21Å |
| 249 | I | 98.8 | Very high | 98.5 | Very high | 7 Ų | 7 | 33.4 Ų | 33.4 | 4% | 0.036 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60 | -43.5 | 178.5 | -67.3 | -62.8 | 0 | 0 | 0 | 111.1 | L16 A24 C203 F245 G251 L252 V253 | L16-I249 HydrophobicContact CD1-CG2 4.06Å; A24-I249 HydrophobicContact CB-CD1 3.54Å; C203-I249 HydrophobicContact CB-CG2 4.21Å; F245-I249 HydrophobicContact CD1-CG1 4.21Å; F245-I249 HydrophobicContact CE1-CD1 4.25Å; F245-I249 HydrophobicContact CE1-CG1 3.87Å; F245-I249 HydrophobicContact CE2-CD1 4.27Å; F245-I249 HydrophobicContact CE2-CG1 4.33Å; F245-I249 HydrophobicContact CZ-CD1 3.87Å; F245-I249 HydrophobicContact CZ-CG1 3.95Å; F245-I249 WeakPolarHBondContact O-CG1 3.27Å; F245-I249 PolarHBondContact O-N 3.05Å; I249-G251 VanDerWaalsContact C-N 3.34Å; I249-G251 PolarHBondContact O-N 3.43Å; I249-L252 PolarHBondContact O-N 3.46Å; I249-V253 WeakPolarHBondContact O-CG2 3.46Å; I249-V253 PolarHBondContact O-N 2.94Å |
| 250 | M | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.6 | -44 | 175.2 | 178.5 | 175.3 | 67.9 | 0 | 0 | 111.4 | F73 A197 V201 V206 V208 S246 I247 Y248 L252 V253 L254 | F73-M250 HydrophobicContact CD1-CE 3.46Å; F73-M250 VanDerWaalsContact CD1-CE 3.46Å; F73-M250 HydrophobicContact CE1-CE 3.28Å; F73-M250 HydrophobicContact CZ-CE 4.47Å; A197-M250 HydrophobicContact CB-SD 4.13Å; V201-M250 HydrophobicContact CG2-SD 4.5Å; V201-M250 WeakPolarHBondContact O-CG 3.1Å; V206-M250 HydrophobicContact CG1-CB 4.4Å; V206-M250 HydrophobicContact CG1-CE 4.18Å; V206-M250 HydrophobicContact CG1-SD 4.05Å; V206-M250 HydrophobicContact CG2-CE 4.26Å; V208-M250 HydrophobicContact CG2-CE 3.88Å; V208-M250 HydrophobicContact CG2-SD 3.54Å; V208-M250 VanDerWaalsContact CG2-SD 3.54Å; S246-M250 WeakPolarHBondContact O-CB 3.05Å; S246-M250 PolarHBondContact O-N 3.15Å; I247-M250 PolarHBondContact O-N 3.24Å; Y248-M250 VanDerWaalsContact C-N 3.32Å; Y248-M250 PolarHBondContact O-N 2.59Å; M250-L252 VanDerWaalsContact C-N 3.29Å; M250-L252 PolarHBondContact O-N 2.93Å; M250-V253 PolarHBondContact O-N 3.44Å; M250-L254 HydrophobicContact CG-CD1 4.04Å; M250-L254 HydrophobicContact CG-CG 4.18Å; M250-L254 VanDerWaalsContact O-CG 3.26Å; M250-L254 WeakPolarHBondContact O-CG 3.33Å; M250-L254 PolarHBondContact O-N 2.86Å |
| 251 | G | 98.8 | Very high | 98.5 | Very high | 6 Ų | 6 | 32 Ų | 32 | 6% | 0.062 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -54.3 | -43.3 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | S55 I247 Y248 I249 L254 E255 | S55-G251 WeakPolarHBondContact OG-CA 3.46Å; I247-G251 PolarHBondContact O-N 2.95Å; Y248-G251 PolarHBondContact O-N 2.95Å; Y248-G251 VanDerWaalsContact O-N 3.12Å; I249-G251 VanDerWaalsContact C-N 3.34Å; I249-G251 PolarHBondContact O-N 3.43Å; G251-L254 PolarHBondContact O-N 2.86Å; G251-E255 PolarHBondContact O-N 2.81Å |
| 252 | L | 98.8 | Very high | 98.5 | Very high | 12 Ų | 12 | 28.3 Ų | 28.3 | 6% | 0.063 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.6 | -40.4 | 174.4 | -63.6 | -174.3 | 0 | 0 | 0 | 112.7 | V20 Q23 A24 Y248 I249 M250 E255 W256 | V20-L252 HydrophobicContact CB-CB 4.44Å; V20-L252 HydrophobicContact CG1-CB 3.66Å; V20-L252 HydrophobicContact CG1-CD1 4.06Å; V20-L252 HydrophobicContact CG2-CB 4.18Å; Q23-L252 HydrophobicContact CB-CD1 4.35Å; Q23-L252 HydrophobicContact CG-CD1 4.2Å; Q23-L252 HydrophobicContact CG-CD2 4.41Å; A24-L252 HydrophobicContact CB-CD1 4.28Å; Y248-L252 HydrophobicContact CE1-CD1 3.89Å; Y248-L252 HydrophobicContact CE2-CD1 4.09Å; Y248-L252 HydrophobicContact CE2-CD2 4.18Å; Y248-L252 HydrophobicContact CE2-CG 4.11Å; Y248-L252 PolarHBondContact O-N 3.21Å; I249-L252 PolarHBondContact O-N 3.46Å; M250-L252 VanDerWaalsContact C-N 3.29Å; M250-L252 PolarHBondContact O-N 2.93Å; L252-E255 PolarHBondContact O-N 2.76Å; L252-W256 WeakPolarHBondContact O-CB 3.44Å; L252-W256 PolarHBondContact O-N 2.79Å |
| 253 | V | 98.9 | Very high | 98.5 | Very high | 4 Ų | 4 | 28.8 Ų | 28.8 | 2% | 0.024 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.7 | -39.8 | 176.6 | 176.7 | 0 | 0 | 0 | 0 | 111.3 | L16 V20 V201 I249 M250 W256 I257 | L16-V253 HydrophobicContact CD2-CG2 3.77Å; V20-V253 HydrophobicContact CG1-CG2 4Å; V20-V253 HydrophobicContact CG2-CG2 4.26Å; V201-V253 WeakPolarHBondContact O-CB 3.25Å; I249-V253 WeakPolarHBondContact O-CG2 3.46Å; I249-V253 PolarHBondContact O-N 2.94Å; M250-V253 PolarHBondContact O-N 3.44Å; V253-W256 WeakPolarHBondContact O-CB 3.4Å; V253-W256 PolarHBondContact O-N 3.15Å; V253-I257 HydrophobicContact CG1-CD1 4.15Å; V253-I257 HydrophobicContact CG1-CG1 4.44Å; V253-I257 WeakPolarHBondContact O-CG1 3.07Å; V253-I257 PolarHBondContact O-N 2.97Å |
| 254 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.4 | -43.6 | 176.1 | -66.6 | 171.8 | 0 | 0 | 0 | 111.3 | L58 L59 L62 L181 M250 G251 W256 I257 K258 | L58-L254 HydrophobicContact CB-CB 3.96Å; L58-L254 HydrophobicContact CB-CD1 4.33Å; L58-L254 HydrophobicContact CD1-CB 3.95Å; L59-L254 HydrophobicContact CD1-CD1 4.4Å; L59-L254 HydrophobicContact CD2-CD1 3.93Å; L59-L254 HydrophobicContact CD2-CD2 3.63Å; L59-L254 HydrophobicContact CD2-CG 4.44Å; L59-L254 HydrophobicContact CG-CD1 3.72Å; L59-L254 HydrophobicContact CG-CD2 4.31Å; L62-L254 HydrophobicContact CD1-CB 4.18Å; L62-L254 HydrophobicContact CD1-CD2 3.99Å; L181-L254 HydrophobicContact CD1-CD2 3.28Å; M250-L254 HydrophobicContact CG-CD1 4.04Å; M250-L254 HydrophobicContact CG-CG 4.18Å; M250-L254 VanDerWaalsContact O-CG 3.26Å; M250-L254 WeakPolarHBondContact O-CG 3.33Å; M250-L254 PolarHBondContact O-N 2.86Å; G251-L254 PolarHBondContact O-N 2.86Å; L254-W256 VanDerWaalsContact C-N 3.32Å; L254-W256 PolarHBondContact O-N 3.43Å; L254-I257 PolarHBondContact O-N 2.76Å; L254-K258 PolarHBondContact O-N 3.19Å |
| 255 | E | 98.9 | Very high | 98.5 | Very high | 51 Ų | 51 | 31 Ų | 31 | 24% | 0.238 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.2 | -41 | 174 | -178.6 | 160.2 | -132 | 0 | 0 | 111.5 | K54 L58 G251 L252 K258 N259 | K54-E255 WeakPolarHBondContact CE-OE1 3.43Å; K54-E255 IonicContact NZ-OE1 2.86Å; K54-E255 PolarHBondContact NZ-OE1 3.44Å; K54-E255 IonicContact NZ-OE2 2.96Å; K54-E255 PolarHBondContact NZ-OE2 2.94Å; L58-E255 HydrophobicContact CD1-CB 4.08Å; G251-E255 PolarHBondContact O-N 2.81Å; L252-E255 PolarHBondContact O-N 2.76Å; E255-K258 PolarHBondContact O-N 3.27Å; E255-N259 WeakPolarHBondContact O-CB 3.5Å; E255-N259 PolarHBondContact O-N 3.02Å; E255-N259 PolarHBondContact O-ND2 3.1Å |
| 256 | W | 98.8 | Very high | 98.6 | Very high | 52 Ų | 52 | 28 Ų | 28 | 20% | 0.197 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.8 | -45.1 | 172.7 | 178.2 | 87.3 | 0 | 0 | 0 | 112.1 | P17 V20 L252 V253 L254 K258 N259 N260 M266 N346 | P17-W256 HydrophobicContact CB-CD2 3.89Å; P17-W256 HydrophobicContact CB-CE3 4.49Å; P17-W256 HydrophobicContact CB-CG 4.05Å; P17-W256 HydrophobicContact CB-CZ2 4.33Å; P17-W256 HydrophobicContact CG-CD2 3.57Å; P17-W256 HydrophobicContact CG-CE3 3.7Å; P17-W256 HydrophobicContact CG-CG 4Å; P17-W256 HydrophobicContact CG-CH2 4.42Å; P17-W256 HydrophobicContact CG-CZ2 4.29Å; P17-W256 HydrophobicContact CG-CZ3 4.14Å; V20-W256 HydrophobicContact CG2-CB 3.95Å; V20-W256 HydrophobicContact CG2-CG 4.39Å; L252-W256 WeakPolarHBondContact O-CB 3.44Å; L252-W256 PolarHBondContact O-N 2.79Å; V253-W256 WeakPolarHBondContact O-CB 3.4Å; V253-W256 PolarHBondContact O-N 3.15Å; L254-W256 VanDerWaalsContact C-N 3.32Å; L254-W256 PolarHBondContact O-N 3.43Å; W256-K258 VanDerWaalsContact C-N 3.34Å; W256-K258 PolarHBondContact O-N 3.27Å; W256-N259 PolarHBondContact O-N 2.83Å; W256-N260 PolarHBondContact NE1-ND2 2.58Å; W256-N260 PolarHBondContact O-N 2.81Å; W256-N260 PolarHBondContact O-ND2 2.78Å; W256-M266 HydrophobicContact CH2-CE 4.06Å; W256-M266 HydrophobicContact CH2-SD 4.4Å; W256-M266 HydrophobicContact CZ3-CE 3.87Å; W256-M266 HydrophobicContact CZ3-SD 4.11Å; W256-N346 HydrophobicContact CZ3-CB 4.44Å |
| 257 | I | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.7 | -46.8 | 176.9 | -69.5 | 170.2 | 0 | 0 | 0 | 110.2 | L62 L181 V201 V253 L254 N259 N260 G262 M266 | L62-I257 HydrophobicContact CD1-CB 4.42Å; L62-I257 HydrophobicContact CD1-CG2 4.26Å; L62-I257 HydrophobicContact CD2-CG2 3.99Å; L181-I257 HydrophobicContact CB-CD1 4.17Å; L181-I257 HydrophobicContact CD1-CD1 4.2Å; V201-I257 HydrophobicContact CG1-CD1 4.16Å; V253-I257 HydrophobicContact CG1-CD1 4.15Å; V253-I257 HydrophobicContact CG1-CG1 4.44Å; V253-I257 WeakPolarHBondContact O-CG1 3.07Å; V253-I257 PolarHBondContact O-N 2.97Å; L254-I257 PolarHBondContact O-N 2.76Å; I257-N259 PolarHBondContact O-N 3.18Å; I257-N260 CarbonylContact O-C 3.54Å; I257-N260 PolarHBondContact O-N 3.34Å; I257-N260 VanDerWaalsContact O-N 3.16Å; I257-G262 WeakPolarHBondContact O-CA 3.06Å; I257-G262 PolarHBondContact O-N 3.25Å; I257-M266 HydrophobicContact CG2-CG 4.05Å |
| 258 | K | 98.8 | Very high | 98.6 | Very high | 81 Ų | 81 | 33.1 Ų | 33.1 | 35% | 0.352 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -56.2 | -50.3 | 176.5 | 175.6 | 175.7 | 172 | 165.2 | 0 | 111.5 | L58 E61 L62 L254 E255 W256 N260 G261 | L58-K258 HydrophobicContact CD2-CB 4.4Å; L58-K258 HydrophobicContact CD2-CD 3.57Å; E61-K258 WeakPolarHBondContact OE1-CD 3.38Å; E61-K258 WeakPolarHBondContact OE1-CE 3.41Å; E61-K258 IonicContact OE1-NZ 2.83Å; E61-K258 PolarHBondContact OE1-NZ 3.11Å; E61-K258 IonicContact OE2-NZ 2.72Å; E61-K258 PolarHBondContact OE2-NZ 2.84Å; L62-K258 HydrophobicContact CD2-CB 4.01Å; L254-K258 PolarHBondContact O-N 3.19Å; E255-K258 PolarHBondContact O-N 3.27Å; W256-K258 VanDerWaalsContact C-N 3.34Å; W256-K258 PolarHBondContact O-N 3.27Å; K258-N260 PolarHBondContact O-N 3.42Å; K258-N260 VanDerWaalsContact O-N 3.17Å; K258-G261 PolarHBondContact O-N 2.83Å; K258-G261 VanDerWaalsContact O-N 3.13Å |
| 259 | N | 98.6 | Very high | 98.6 | Very high | 115 Ų | 115 | 35.6 Ų | 35.6 | 62% | 0.615 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -66.6 | -17.2 | -178.5 | -67.4 | -17.1 | 0 | 0 | 0 | 113.4 | E255 W256 I257 | E255-N259 WeakPolarHBondContact O-CB 3.5Å; E255-N259 PolarHBondContact O-N 3.02Å; E255-N259 PolarHBondContact O-ND2 3.1Å; W256-N259 PolarHBondContact O-N 2.83Å; I257-N259 PolarHBondContact O-N 3.18Å |
| 260 | N | 98.4 | Very high | 98.6 | Very high | 75 Ų | 75 | 35.3 Ų | 35.3 | 40% | 0.401 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 26.7 | 176.1 | -72.5 | -90.3 | 0 | 0 | 0 | 112.7 | W256 I257 K258 A265 M266 | W256-N260 PolarHBondContact NE1-ND2 2.58Å; W256-N260 PolarHBondContact O-N 2.81Å; W256-N260 PolarHBondContact O-ND2 2.78Å; I257-N260 CarbonylContact O-C 3.54Å; I257-N260 PolarHBondContact O-N 3.34Å; I257-N260 VanDerWaalsContact O-N 3.16Å; K258-N260 PolarHBondContact O-N 3.42Å; K258-N260 VanDerWaalsContact O-N 3.17Å; N260-A265 WeakPolarHBondContact O-CB 3.27Å; N260-M266 HydrophobicContact CB-CE 3.64Å |
| 261 | G | 98.1 | Very high | 98.6 | Very high | 52 Ų | 52 | 39.8 Ų | 39.8 | 54% | 0.536 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.6 | 13.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | K258 A265 | K258-G261 PolarHBondContact O-N 2.83Å; K258-G261 VanDerWaalsContact O-N 3.13Å; G261-A265 WeakPolarHBondContact O-CB 3.37Å |
| 262 | G | 98.5 | Very high | 98.6 | Very high | 11 Ų | 11 | 43.7 Ų | 43.7 | 11% | 0.113 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | 67.3 | -163.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | I257 A264 A265 M266 | I257-G262 WeakPolarHBondContact O-CA 3.06Å; I257-G262 PolarHBondContact O-N 3.25Å; G262-A264 VanDerWaalsContact C-N 3.28Å; G262-A264 PolarHBondContact O-N 2.98Å; G262-A265 PolarHBondContact O-N 3.18Å; G262-M266 WeakPolarHBondContact O-CG 3.31Å; G262-M266 PolarHBondContact O-N 2.92Å; G262-M266 VanDerWaalsContact O-N 3.12Å |
| 263 | S | 96.8 | Very high | 98.6 | Very high | 16 Ų | 16 | 43.2 Ų | 43.2 | 11% | 0.112 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64 | -29.3 | -174 | 58.6 | 0 | 0 | 0 | 0 | 113.9 | L62 R183 M266 E267 | L62-S263 PolarHBondContact O-OG 3.21Å; R183-S263 WeakPolarHBondContact CA-O 3.42Å; S263-M266 PolarHBondContact O-N 2.93Å; S263-E267 PolarHBondContact O-N 3.08Å |
| 264 | A | 98.2 | Very high | 98.6 | Very high | 56 Ų | 56 | 43.3 Ų | 43.3 | 46% | 0.463 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -68 | -43.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | P184 G262 E267 T268 | P184-A264 HydrophobicContact CG-CB 4.26Å; G262-A264 VanDerWaalsContact C-N 3.28Å; G262-A264 PolarHBondContact O-N 2.98Å; A264-E267 WeakPolarHBondContact O-CB 3.35Å; A264-E267 PolarHBondContact O-N 3.46Å; A264-T268 PolarHBondContact O-N 3.47Å; A264-T268 PolarHBondContact O-OG1 2.9Å |
| 265 | A | 98.5 | Very high | 98.6 | Very high | 28 Ų | 28 | 45.8 Ų | 45.8 | 23% | 0.231 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.5 | -40.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | N260 G261 G262 E267 T268 L269 | N260-A265 WeakPolarHBondContact O-CB 3.27Å; G261-A265 WeakPolarHBondContact O-CB 3.37Å; G262-A265 PolarHBondContact O-N 3.18Å; A265-E267 VanDerWaalsContact C-N 3.28Å; A265-E267 PolarHBondContact O-N 3.08Å; A265-T268 PolarHBondContact O-N 2.98Å; A265-L269 WeakPolarHBondContact O-CG 3.46Å; A265-L269 PolarHBondContact O-N 3.23Å |
| 266 | M | 98.6 | Very high | 98.5 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.1 | -41.2 | 173.2 | -65 | -60.4 | 133.4 | 0 | 0 | 111.4 | S182 W256 I257 N260 G262 S263 T268 L269 N270 N346 | S182-M266 CarbonylContact O-C 3.58Å; W256-M266 HydrophobicContact CH2-CE 4.06Å; W256-M266 HydrophobicContact CH2-SD 4.4Å; W256-M266 HydrophobicContact CZ3-CE 3.87Å; W256-M266 HydrophobicContact CZ3-SD 4.11Å; I257-M266 HydrophobicContact CG2-CG 4.05Å; N260-M266 HydrophobicContact CB-CE 3.64Å; G262-M266 WeakPolarHBondContact O-CG 3.31Å; G262-M266 PolarHBondContact O-N 2.92Å; G262-M266 VanDerWaalsContact O-N 3.12Å; S263-M266 PolarHBondContact O-N 2.93Å; M266-T268 PolarHBondContact O-N 3.45Å; M266-L269 PolarHBondContact O-N 3.23Å; M266-N270 WeakPolarHBondContact O-CB 3.35Å; M266-N270 PolarHBondContact O-N 2.76Å; M266-N270 PolarHBondContact O-ND2 3.27Å; M266-N346 HydrophobicContact SD-CB 3.87Å |
| 267 | E | 98.6 | Very high | 98.5 | Very high | 44 Ų | 44 | 43.8 Ų | 43.8 | 21% | 0.206 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.1 | -47.3 | 177 | -175.2 | 172.3 | -161.5 | 0 | 0 | 112 | S182 R183 P184 S263 A264 A265 N270 K271 R299 | S182-E267 VanDerWaalsContact O-CA 3.27Å; S182-E267 WeakPolarHBondContact O-CA 3.4Å; S182-E267 PolarHBondContact O-N 3.02Å; S182-E267 VanDerWaalsContact O-N 3.17Å; R183-E267 HydrophobicContact CB-CB 3.82Å; R183-E267 HydrophobicContact CB-CG 3.85Å; P184-E267 WeakPolarHBondContact CD-OE2 3.45Å; S263-E267 PolarHBondContact O-N 3.08Å; A264-E267 WeakPolarHBondContact O-CB 3.35Å; A264-E267 PolarHBondContact O-N 3.46Å; A265-E267 VanDerWaalsContact C-N 3.28Å; A265-E267 PolarHBondContact O-N 3.08Å; E267-N270 PolarHBondContact O-N 2.98Å; E267-K271 HydrophobicContact CG-CD 4.1Å; E267-K271 HydrophobicContact CG-CG 4.48Å; E267-K271 WeakPolarHBondContact O-CB 3.47Å; E267-K271 WeakPolarHBondContact O-CG 3.28Å; E267-K271 PolarHBondContact O-N 3.16Å; E267-K271 WeakPolarHBondContact OE1-CE 3.41Å; E267-K271 IonicContact OE1-NZ 3.21Å; E267-K271 PolarHBondContact OE1-NZ 3.34Å; E267-K271 IonicContact OE2-NZ 2.88Å; E267-R299 IonicContact OE1-NH1 3.95Å; E267-R299 PolarHBondContact OE1-NH1 3.37Å |
| 268 | T | 98.7 | Very high | 98.5 | Very high | 77 Ų | 77 | 44.6 Ų | 44.6 | 47% | 0.472 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -59.9 | -49.9 | 178.9 | -62.7 | 0 | 0 | 0 | 0 | 111.2 | A264 A265 M266 N270 K271 Q272 | A264-T268 PolarHBondContact O-N 3.47Å; A264-T268 PolarHBondContact O-OG1 2.9Å; A265-T268 PolarHBondContact O-N 2.98Å; M266-T268 PolarHBondContact O-N 3.45Å; T268-N270 PolarHBondContact O-N 3.19Å; T268-K271 PolarHBondContact O-N 2.68Å; T268-Q272 WeakPolarHBondContact O-CG 3.41Å; T268-Q272 PolarHBondContact O-N 2.86Å |
| 269 | L | 98.6 | Very high | 98.5 | Very high | 59 Ų | 59 | 45.2 Ų | 45.2 | 31% | 0.309 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.5 | -43 | 179.2 | -68.8 | 172 | 0 | 0 | 0 | 111.7 | A265 M266 Q272 K273 L350 | A265-L269 WeakPolarHBondContact O-CG 3.46Å; A265-L269 PolarHBondContact O-N 3.23Å; M266-L269 PolarHBondContact O-N 3.23Å; L269-Q272 PolarHBondContact O-N 3.2Å; L269-K273 WeakPolarHBondContact O-CG 3.16Å; L269-K273 PolarHBondContact O-N 2.83Å; L269-L350 HydrophobicContact CD2-CD1 3.74Å; L269-L350 HydrophobicContact CD2-CG 4.15Å |
| 270 | N | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.2 | -38.5 | -179.5 | -71.4 | -29 | 0 | 0 | 0 | 112.1 | S182 M266 E267 T268 K273 S274 M300 N346 | S182-N270 WeakPolarHBondContact CB-ND2 3.41Å; S182-N270 PolarHBondContact O-ND2 2.69Å; M266-N270 WeakPolarHBondContact O-CB 3.35Å; M266-N270 PolarHBondContact O-N 2.76Å; M266-N270 PolarHBondContact O-ND2 3.27Å; E267-N270 PolarHBondContact O-N 2.98Å; T268-N270 PolarHBondContact O-N 3.19Å; N270-K273 WeakPolarHBondContact OD1-CE 3.3Å; N270-K273 PolarHBondContact OD1-NZ 3.29Å; N270-S274 WeakPolarHBondContact O-CB 3.06Å; N270-S274 PolarHBondContact O-N 2.93Å; N270-S274 PolarHBondContact O-OG 2.7Å; N270-S274 VanDerWaalsContact O-OG 3.08Å; N270-M300 HydrophobicContact CB-CE 3.5Å; N270-M300 VanDerWaalsContact CB-CE 3.5Å; N270-M300 VanDerWaalsContact CG-CE 3.47Å; N270-N346 PolarHBondContact ND2-OD1 2.79Å |
| 271 | K | 98.7 | Very high | 98.6 | Very high | 94 Ų | 94 | 36.9 Ų | 36.9 | 41% | 0.409 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -58.9 | -53.4 | 170.8 | -77.1 | 173.5 | -177.8 | 166.6 | 0 | 110.4 | E267 T268 K273 S274 S275 | E267-K271 HydrophobicContact CG-CD 4.1Å; E267-K271 HydrophobicContact CG-CG 4.48Å; E267-K271 WeakPolarHBondContact O-CB 3.47Å; E267-K271 WeakPolarHBondContact O-CG 3.28Å; E267-K271 PolarHBondContact O-N 3.16Å; E267-K271 WeakPolarHBondContact OE1-CE 3.41Å; E267-K271 IonicContact OE1-NZ 3.21Å; E267-K271 PolarHBondContact OE1-NZ 3.34Å; E267-K271 IonicContact OE2-NZ 2.88Å; T268-K271 PolarHBondContact O-N 2.68Å; K271-K273 PolarHBondContact O-N 2.75Å; K271-S274 PolarHBondContact O-N 2.81Å; K271-S274 PolarHBondContact O-OG 2.88Å; K271-S275 WeakPolarHBondContact O-CB 3.29Å; K271-S275 PolarHBondContact O-N 3.06Å; K271-S275 PolarHBondContact O-OG 2.9Å |
| 272 | Q | 98.8 | Very high | 98.6 | Very high | 88 Ų | 88 | 39.1 Ų | 39.1 | 41% | 0.411 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -54.8 | -51 | 179.2 | -72.4 | 172.5 | -12.1 | 0 | 0 | 112.6 | T268 L269 S274 S275 M276 L350 | T268-Q272 WeakPolarHBondContact O-CG 3.41Å; T268-Q272 PolarHBondContact O-N 2.86Å; L269-Q272 PolarHBondContact O-N 3.2Å; Q272-S274 PolarHBondContact O-N 2.99Å; Q272-S275 PolarHBondContact O-N 2.83Å; Q272-M276 WeakPolarHBondContact O-CG 3.44Å; Q272-M276 PolarHBondContact O-N 2.93Å; Q272-M276 VanDerWaalsContact O-N 3.13Å; Q272-L350 HydrophobicContact CB-CD2 3.66Å |
| 273 | K | 98.9 | Very high | 98.5 | Very high | 3 Ų | 3 | 42.6 Ų | 42.6 | 1% | 0.013 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.9 | -48.5 | 177.5 | -71.8 | -178.1 | -64.1 | -179.2 | 0 | 112.2 | L269 N270 K271 M276 L344 Y345 V348 L350 A353 | L269-K273 WeakPolarHBondContact O-CG 3.16Å; L269-K273 PolarHBondContact O-N 2.83Å; N270-K273 WeakPolarHBondContact OD1-CE 3.3Å; N270-K273 PolarHBondContact OD1-NZ 3.29Å; K271-K273 PolarHBondContact O-N 2.75Å; K273-M276 PolarHBondContact O-N 2.9Å; K273-L344 HydrophobicContact CB-CD1 4.27Å; K273-L344 WeakPolarHBondContact CE-O 3.27Å; K273-L344 PolarHBondContact NZ-O 3.24Å; K273-Y345 PolarHBondContact NZ-O 3.5Å; K273-V348 HydrophobicContact CD-CG1 4.41Å; K273-V348 WeakPolarHBondContact CD-O 3.38Å; K273-V348 WeakPolarHBondContact CE-O 3.45Å; K273-V348 PolarHBondContact NZ-O 3.17Å; K273-L350 HydrophobicContact CG-CD2 3.71Å; K273-L350 HydrophobicContact CG-CG 4.44Å; K273-A353 HydrophobicContact CB-CB 3.9Å; K273-A353 HydrophobicContact CD-CB 4.4Å; K273-A353 HydrophobicContact CG-CB 3.81Å |
| 274 | S | 98.8 | Very high | 98.6 | Very high | 6 Ų | 6 | 41.8 Ų | 41.8 | 4% | 0.042 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67 | -38.8 | -177.8 | 67.7 | 0 | 0 | 0 | 0 | 112.5 | N270 K271 Q272 M276 I277 Y278 | N270-S274 WeakPolarHBondContact O-CB 3.06Å; N270-S274 PolarHBondContact O-N 2.93Å; N270-S274 PolarHBondContact O-OG 2.7Å; N270-S274 VanDerWaalsContact O-OG 3.08Å; K271-S274 PolarHBondContact O-N 2.81Å; K271-S274 PolarHBondContact O-OG 2.88Å; Q272-S274 PolarHBondContact O-N 2.99Å; S274-M276 PolarHBondContact O-N 3.22Å; S274-I277 PolarHBondContact O-N 3.18Å; S274-Y278 VanDerWaalsContact O-CD2 3.28Å; S274-Y278 WeakPolarHBondContact O-CD2 3.45Å; S274-Y278 PolarHBondContact O-N 3.25Å |
| 275 | S | 98.8 | Very high | 98.5 | Very high | 52 Ų | 52 | 46.4 Ų | 46.4 | 36% | 0.364 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.3 | -43.6 | 175.5 | -69.1 | 0 | 0 | 0 | 0 | 111.9 | K271 Q272 I277 Y278 D279 | K271-S275 WeakPolarHBondContact O-CB 3.29Å; K271-S275 PolarHBondContact O-N 3.06Å; K271-S275 PolarHBondContact O-OG 2.9Å; Q272-S275 PolarHBondContact O-N 2.83Å; S275-I277 PolarHBondContact O-N 2.87Å; S275-Y278 PolarHBondContact O-N 2.78Å; S275-D279 VanDerWaalsContact O-CB 3.24Å; S275-D279 WeakPolarHBondContact O-CB 3.41Å; S275-D279 PolarHBondContact O-N 2.9Å |
| 276 | M | 98.8 | Very high | 98.4 | Very high | 60 Ų | 60 | 47 Ų | 47 | 30% | 0.296 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -52.6 | -36.5 | 177.4 | -69.3 | 174.1 | -176.6 | 0 | 0 | 113.1 | Q272 K273 S274 I280 L350 A353 A354 A357 | Q272-M276 WeakPolarHBondContact O-CG 3.44Å; Q272-M276 PolarHBondContact O-N 2.93Å; Q272-M276 VanDerWaalsContact O-N 3.13Å; K273-M276 PolarHBondContact O-N 2.9Å; S274-M276 PolarHBondContact O-N 3.22Å; M276-I280 WeakPolarHBondContact O-CD1 3.5Å; M276-I280 WeakPolarHBondContact O-CG1 3.41Å; M276-L350 HydrophobicContact CE-CD2 3.88Å; M276-A353 HydrophobicContact SD-CB 4.27Å; M276-A354 HydrophobicContact SD-CB 4.38Å; M276-A357 HydrophobicContact CB-CB 4.36Å |
| 277 | I | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -85.1 | -46.6 | 180 | -52.6 | -53 | 0 | 0 | 0 | 111.1 | S274 S275 D279 I280 I281 V302 L344 L356 A357 M360 | S274-I277 PolarHBondContact O-N 3.18Å; S275-I277 PolarHBondContact O-N 2.87Å; I277-D279 VanDerWaalsContact C-N 3.33Å; I277-D279 PolarHBondContact O-N 2.63Å; I277-I280 PolarHBondContact O-N 2.81Å; I277-I281 HydrophobicContact CG2-CD1 4.06Å; I277-I281 WeakPolarHBondContact O-CG1 3.38Å; I277-I281 PolarHBondContact O-N 2.75Å; I277-I281 VanDerWaalsContact O-N 3.09Å; I277-V302 HydrophobicContact CB-CG1 4.49Å; I277-V302 HydrophobicContact CG2-CB 4.45Å; I277-V302 HydrophobicContact CG2-CG1 3.76Å; I277-L344 HydrophobicContact CG1-CD1 4.22Å; I277-L356 HydrophobicContact CD1-CB 4.19Å; I277-L356 HydrophobicContact CD1-CD2 3.87Å; I277-L356 HydrophobicContact CD1-CG 3.93Å; I277-L356 HydrophobicContact CG1-CD2 4.46Å; I277-A357 HydrophobicContact CD1-CB 4.09Å; I277-M360 HydrophobicContact CD1-SD 4.16Å; I277-M360 HydrophobicContact CG2-CE 4.07Å; I277-M360 HydrophobicContact CG2-SD 3.89Å |
| 278 | Y | 98.8 | Very high | 98.4 | Very high | 17 Ų | 17 | 45.8 Ų | 45.8 | 7% | 0.067 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.6 | -34.4 | -178.9 | -78.8 | -53.7 | 0 | 0 | 0 | 113.4 | S274 S275 I280 I281 N282 C290 R297 S298 V302 | S274-Y278 VanDerWaalsContact O-CD2 3.28Å; S274-Y278 WeakPolarHBondContact O-CD2 3.45Å; S274-Y278 PolarHBondContact O-N 3.25Å; S275-Y278 PolarHBondContact O-N 2.78Å; Y278-I280 VanDerWaalsContact C-N 3.33Å; Y278-I280 PolarHBondContact O-N 3.48Å; Y278-I281 HydrophobicContact CD1-CD1 4.02Å; Y278-I281 HydrophobicContact CE1-CD1 4.42Å; Y278-I281 PolarHBondContact O-N 3.03Å; Y278-N282 WeakPolarHBondContact O-CB 3.17Å; Y278-N282 PolarHBondContact O-N 3.16Å; Y278-N282 PolarHBondContact O-ND2 2.88Å; Y278-C290 HydrophobicContact CE1-CB 4.27Å; Y278-R297 HydrophobicContact CE1-CB 4.13Å; Y278-R297 VanDerWaalsContact CE1-CD 3.45Å; Y278-R297 HydrophobicContact CE1-CG 3.86Å; Y278-R297 HydrophobicContact CE2-CB 3.94Å; Y278-S298 WeakPolarHBondContact CE2-O 3.34Å; Y278-S298 PolarHBondContact OH-O 2.96Å; Y278-V302 HydrophobicContact CD1-CG1 4.04Å; Y278-V302 HydrophobicContact CD2-CG2 4.42Å; Y278-V302 HydrophobicContact CE1-CB 4.44Å; Y278-V302 HydrophobicContact CE1-CG1 3.51Å; Y278-V302 HydrophobicContact CE1-CG2 4.41Å; Y278-V302 HydrophobicContact CE2-CG1 4.31Å; Y278-V302 HydrophobicContact CE2-CG2 3.72Å |
| 279 | D | 98.7 | Very high | 98.4 | Very high | 95 Ų | 95 | 43.5 Ų | 43.5 | 51% | 0.508 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.4 | -42.1 | 177.7 | -66.5 | -18.4 | 0 | 0 | 0 | 110.5 | S275 I277 N282 S283 | S275-D279 VanDerWaalsContact O-CB 3.24Å; S275-D279 WeakPolarHBondContact O-CB 3.41Å; S275-D279 PolarHBondContact O-N 2.9Å; I277-D279 VanDerWaalsContact C-N 3.33Å; I277-D279 PolarHBondContact O-N 2.63Å; D279-N282 PolarHBondContact O-N 2.92Å; D279-S283 WeakPolarHBondContact O-CB 3.19Å; D279-S283 PolarHBondContact O-N 3.08Å; D279-S283 PolarHBondContact O-OG 3.29Å |
| 280 | I | 98.7 | Very high | 98.4 | Very high | 7 Ų | 7 | 41.2 Ų | 41.2 | 4% | 0.036 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.6 | -44.9 | 174.2 | -64.8 | 168.2 | 0 | 0 | 0 | 110.8 | M276 I277 Y278 N282 S283 S284 Y288 A357 M360 R361 | M276-I280 WeakPolarHBondContact O-CD1 3.5Å; M276-I280 WeakPolarHBondContact O-CG1 3.41Å; I277-I280 PolarHBondContact O-N 2.81Å; Y278-I280 VanDerWaalsContact C-N 3.33Å; Y278-I280 PolarHBondContact O-N 3.48Å; I280-N282 VanDerWaalsContact C-N 3.3Å; I280-N282 PolarHBondContact O-N 3.01Å; I280-S283 PolarHBondContact O-N 2.62Å; I280-S283 PolarHBondContact O-OG 3Å; I280-S284 VanDerWaalsContact O-CB 3.28Å; I280-S284 WeakPolarHBondContact O-CB 3.08Å; I280-S284 PolarHBondContact O-N 3.01Å; I280-S284 VanDerWaalsContact O-N 3.08Å; I280-Y288 HydrophobicContact CG2-CD2 4.02Å; I280-Y288 HydrophobicContact CG2-CE2 4.14Å; I280-A357 HydrophobicContact CD1-CB 3.56Å; I280-A357 VanDerWaalsContact CD1-O 3.27Å; I280-A357 WeakPolarHBondContact CD1-O 3.23Å; I280-M360 HydrophobicContact CB-CE 4.4Å; I280-M360 HydrophobicContact CD1-CB 4.29Å; I280-M360 HydrophobicContact CG2-CB 4.08Å; I280-M360 HydrophobicContact CG2-CE 4.04Å; I280-R361 HydrophobicContact CD1-CG 3.88Å; I280-R361 HydrophobicContact CG1-CG 4.2Å |
| 281 | I | 98.7 | Very high | 98.3 | Very high | 7 Ų | 7 | 44.2 Ų | 44.2 | 4% | 0.036 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.7 | -49.2 | 177.6 | -68.5 | 167.7 | 0 | 0 | 0 | 109.7 | I277 Y278 S283 S284 C290 V302 F304 M360 | I277-I281 HydrophobicContact CG2-CD1 4.06Å; I277-I281 WeakPolarHBondContact O-CG1 3.38Å; I277-I281 PolarHBondContact O-N 2.75Å; I277-I281 VanDerWaalsContact O-N 3.09Å; Y278-I281 HydrophobicContact CD1-CD1 4.02Å; Y278-I281 HydrophobicContact CE1-CD1 4.42Å; Y278-I281 PolarHBondContact O-N 3.03Å; I281-S283 PolarHBondContact O-N 3.18Å; I281-S284 WeakPolarHBondContact O-CB 3.28Å; I281-S284 PolarHBondContact O-N 2.83Å; I281-S284 PolarHBondContact O-OG 2.79Å; I281-C290 HydrophobicContact CD1-CB 4.41Å; I281-C290 HydrophobicContact CG2-CB 4.02Å; I281-V302 HydrophobicContact CD1-CG1 3.85Å; I281-F304 HydrophobicContact CD1-CB 3.91Å; I281-F304 HydrophobicContact CD1-CD1 4.32Å; I281-F304 HydrophobicContact CD1-CG 4.24Å; I281-F304 HydrophobicContact CG1-CB 4.46Å; I281-M360 HydrophobicContact CG1-CE 4.01Å |
| 282 | N | 98.3 | Very high | 98.2 | Very high | 99 Ų | 99 | 39.9 Ų | 39.9 | 53% | 0.529 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -66.3 | -34.5 | -177.6 | -66.1 | -21.7 | 0 | 0 | 0 | 112.8 | Y278 D279 I280 R297 | Y278-N282 WeakPolarHBondContact O-CB 3.17Å; Y278-N282 PolarHBondContact O-N 3.16Å; Y278-N282 PolarHBondContact O-ND2 2.88Å; D279-N282 PolarHBondContact O-N 2.92Å; I280-N282 VanDerWaalsContact C-N 3.3Å; I280-N282 PolarHBondContact O-N 3.01Å; N282-R297 PolarHBondContact OD1-NH1 2.91Å |
| 283 | S | 97.8 | Very high | 98.2 | Very high | 84 Ų | 84 | 39.7 Ų | 39.7 | 59% | 0.587 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | 3.6 | 179.8 | 74.2 | 0 | 0 | 0 | 0 | 114.2 | D279 I280 I281 N285 | D279-S283 WeakPolarHBondContact O-CB 3.19Å; D279-S283 PolarHBondContact O-N 3.08Å; D279-S283 PolarHBondContact O-OG 3.29Å; I280-S283 PolarHBondContact O-N 2.62Å; I280-S283 PolarHBondContact O-OG 3Å; I281-S283 PolarHBondContact O-N 3.18Å; S283-N285 VanDerWaalsContact C-N 3.3Å; S283-N285 PolarHBondContact O-N 3.13Å |
| 284 | S | 98.1 | Very high | 98.1 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -84.1 | 3.4 | -172.6 | 70.8 | 0 | 0 | 0 | 0 | 115 | I280 I281 G286 F287 Y288 | I280-S284 VanDerWaalsContact O-CB 3.28Å; I280-S284 WeakPolarHBondContact O-CB 3.08Å; I280-S284 PolarHBondContact O-N 3.01Å; I280-S284 VanDerWaalsContact O-N 3.08Å; I281-S284 WeakPolarHBondContact O-CB 3.28Å; I281-S284 PolarHBondContact O-N 2.83Å; I281-S284 PolarHBondContact O-OG 2.79Å; S284-G286 PolarHBondContact O-N 3.35Å; S284-F287 WeakPolarHBondContact O-CB 3.49Å; S284-F287 PolarHBondContact O-N 2.97Å; S284-F287 VanDerWaalsContact O-N 3.12Å; S284-Y288 PolarHBondContact OG-N 2.58Å; S284-Y288 PolarHBondContact OG-O 2.82Å; S284-Y288 VanDerWaalsContact OG-O 3.05Å |
| 285 | N | 96.2 | Very high | 98.1 | Very high | 153 Ų | 153 | 46.8 Ų | 46.8 | 82% | 0.818 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 40.6 | -174.9 | -66.7 | -22.5 | 0 | 0 | 0 | 113.4 | S283 | S283-N285 VanDerWaalsContact C-N 3.3Å; S283-N285 PolarHBondContact O-N 3.13Å |
| 286 | G | 96.8 | Very high | 98 | Very high | 40 Ų | 40 | 44.7 Ų | 44.7 | 41% | 0.412 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.8 | 1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | S284 V289 | S284-G286 PolarHBondContact O-N 3.35Å; G286-V289 VanDerWaalsContact O-CG2 3.23Å; G286-V289 WeakPolarHBondContact O-CG2 3.23Å |
| 287 | F | 98.4 | Very high | 98 | Very high | 16 Ų | 16 | 44.1 Ų | 44.1 | 7% | 0.07 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -69 | -42.4 | 172.8 | -177.1 | -88.1 | 0 | 0 | 0 | 111.8 | S284 V306 G307 L315 F363 L364 H367 Q368 | S284-F287 WeakPolarHBondContact O-CB 3.49Å; S284-F287 PolarHBondContact O-N 2.97Å; S284-F287 VanDerWaalsContact O-N 3.12Å; F287-V306 HydrophobicContact CD1-CG1 4.44Å; F287-V306 HydrophobicContact CE1-CG1 3.7Å; F287-V306 HydrophobicContact CZ-CG1 3.85Å; F287-V306 CarbonylContact O-C 3.52Å; F287-V306 WeakPolarHBondContact O-CA 3.39Å; F287-G307 PolarHBondContact O-N 3.1Å; F287-L315 HydrophobicContact CE2-CD1 4.18Å; F287-F363 AromaticContact CE1-CD1 3.8Å; F287-F363 HydrophobicContact CE1-CD1 3.8Å; F287-F363 AromaticContact CE1-CE1 3.96Å; F287-F363 HydrophobicContact CE1-CE1 3.96Å; F287-F363 AromaticContact CZ-CD1 3.83Å; F287-F363 HydrophobicContact CZ-CD1 3.83Å; F287-F363 AromaticContact CZ-CE1 3.69Å; F287-F363 HydrophobicContact CZ-CE1 3.69Å; F287-L364 HydrophobicContact CB-CD1 3.35Å; F287-L364 HydrophobicContact CD1-CD1 3.2Å; F287-L364 HydrophobicContact CD1-CG 4.47Å; F287-L364 HydrophobicContact CD2-CD1 3.94Å; F287-L364 HydrophobicContact CE1-CD1 3.87Å; F287-L364 HydrophobicContact CG-CD1 3.21Å; F287-L364 HydrophobicContact CZ-CD1 4.47Å; F287-H367 HydrophobicContact CE2-CB 3.93Å; F287-H367 HydrophobicContact CZ-CB 3.87Å; F287-Q368 HydrophobicContact CD2-CG 4.38Å |
| 288 | Y | 98.7 | Very high | 98 | Very high | 3 Ų | 3 | 44.1 Ų | 44.1 | 1% | 0.012 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 129.4 | 167.6 | -63.6 | -61.2 | 0 | 0 | 0 | 109.3 | I280 S284 F304 R305 V306 F319 M360 F363 L364 | I280-Y288 HydrophobicContact CG2-CD2 4.02Å; I280-Y288 HydrophobicContact CG2-CE2 4.14Å; S284-Y288 PolarHBondContact OG-N 2.58Å; S284-Y288 PolarHBondContact OG-O 2.82Å; S284-Y288 VanDerWaalsContact OG-O 3.05Å; Y288-F304 AromaticContact CD1-CD2 3.9Å; Y288-F304 HydrophobicContact CD1-CD2 3.9Å; Y288-F304 HydrophobicContact CD1-CE2 4.07Å; Y288-F304 HydrophobicContact CE1-CE2 4.24Å; Y288-R305 WeakPolarHBondContact CA-O 3.43Å; Y288-V306 HydrophobicContact CD1-CG2 3.92Å; Y288-V306 HydrophobicContact CE1-CB 4.45Å; Y288-V306 HydrophobicContact CE1-CG1 4.26Å; Y288-V306 HydrophobicContact CE1-CG2 3.7Å; Y288-F319 HydrophobicContact CE1-CD2 4.33Å; Y288-F319 HydrophobicContact CE1-CE2 4.07Å; Y288-M360 HydrophobicContact CD1-CE 4.41Å; Y288-M360 HydrophobicContact CD2-CE 4.06Å; Y288-M360 HydrophobicContact CE2-CB 4Å; Y288-M360 HydrophobicContact CE2-CE 4.21Å; Y288-M360 WeakPolarHBondContact CE2-O 3.23Å; Y288-M360 HydrophobicContact CG-CE 4.17Å; Y288-M360 WeakPolarHBondContact OH-CA 3.3Å; Y288-M360 PolarHBondContact OH-O 3.47Å; Y288-F363 WeakPolarHBondContact OH-CD1 3.24Å; Y288-L364 HydrophobicContact CE2-CB 3.99Å; Y288-L364 HydrophobicContact CE2-CD1 4.31Å |
| 289 | V | 98.4 | Very high | 98 | Very high | 30 Ų | 30 | 44.8 Ų | 44.8 | 18% | 0.182 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 115.6 | -177.7 | -175.7 | 0 | 0 | 0 | 0 | 110.7 | G286 F304 R305 K309 | G286-V289 VanDerWaalsContact O-CG2 3.23Å; G286-V289 WeakPolarHBondContact O-CG2 3.23Å; V289-F304 CarbonylContact O-C 3.55Å; V289-F304 WeakPolarHBondContact O-CA 3.34Å; V289-R305 PolarHBondContact N-O 2.92Å; V289-R305 PolarHBondContact O-N 2.98Å; V289-K309 HydrophobicContact CG1-CB 4.48Å; V289-K309 HydrophobicContact CG1-CG 4.27Å |
| 290 | C | 98.3 | Very high | 98 | Very high | 10 Ų | 10 | 40.2 Ų | 40.2 | 7% | 0.068 | 25% | 0.252 | C | S | . | . | trans | -83.2 | 122.7 | 165.3 | -176.3 | 0 | 0 | 0 | 0 | 108.8 | Y278 I281 V292 P303 | Y278-C290 HydrophobicContact CE1-CB 4.27Å; I281-C290 HydrophobicContact CD1-CB 4.41Å; I281-C290 HydrophobicContact CG2-CB 4.02Å; C290-V292 PolarHBondContact O-N 3.36Å; C290-P303 PolarHBondContact SG-O 3.32Å | ||
| 291 | P | 96.3 | Very high | 98 | Very high | 65 Ų | 65 | 39.9 Ų | 39.9 | 42% | 0.422 | 25% | 0.251 | S | S | . | . | trans | -74.8 | -5.4 | -178.3 | 31.8 | -36.4 | 0 | 0 | 0 | 113.5 | T131 | T131-P291 VanDerWaalsContact CB-O 3.23Å; T131-P291 WeakPolarHBondContact CB-O 3.41Å; T131-P291 HydrophobicContact CG2-CB 4.21Å; T131-P291 WeakPolarHBondContact CG2-O 3.39Å | ||
| 292 | V | 98.1 | Very high | 98 | Very high | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.018 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -92.7 | 136.6 | -174 | -173.8 | 0 | 0 | 0 | 0 | 111.2 | T131 H157 V159 C290 A294 R297 P303 | T131-V292 WeakPolarHBondContact O-CA 3.49Å; T131-V292 WeakPolarHBondContact O-CG1 3.41Å; H157-V292 WeakPolarHBondContact O-CG2 3.41Å; V159-V292 HydrophobicContact CG2-CG1 3.89Å; V159-V292 HydrophobicContact CG2-CG2 4.45Å; C290-V292 PolarHBondContact O-N 3.36Å; V292-A294 PolarHBondContact O-N 3.38Å; V292-R297 HydrophobicContact CB-CG 4.1Å; V292-R297 HydrophobicContact CG1-CG 4.12Å; V292-R297 PolarHBondContact O-NE 3.08Å; V292-P303 HydrophobicContact CG2-CG 4.01Å |
| 293 | D | 97.7 | Very high | 98 | Very high | 83 Ų | 83 | 35.3 Ų | 35.3 | 44% | 0.444 | 23% | 0.226 | S | C | . | . | trans | -55 | 133.5 | 173.2 | -76 | -0.9 | 0 | 0 | 0 | 110.7 | T131 K132 A295 C296 R297 | T131-D293 PolarHBondContact O-N 3.12Å; K132-D293 HydrophobicContact CB-CB 4.27Å; K132-D293 WeakPolarHBondContact CB-OD2 3.35Å; D293-A295 PolarHBondContact O-N 3.01Å; D293-C296 PolarHBondContact O-N 3.31Å; D293-C296 PolarHBondContact O-SG 3.25Å; D293-R297 PolarHBondContact O-N 2.9Å | ||
| 294 | A | 97.8 | Very high | 98.1 | Very high | 79 Ų | 79 | 31.4 Ų | 31.4 | 65% | 0.653 | 20% | 0.199 | S | C | * | . | G | 310 helix | trans | -56.9 | -32.3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | V292 C296 | V292-A294 PolarHBondContact O-N 3.38Å; A294-C296 PolarHBondContact O-N 3.44Å |
| 295 | A | 97.1 | Very high | 98.1 | Very high | 80 Ų | 80 | 33.7 Ų | 33.7 | 66% | 0.661 | 21% | 0.207 | S | C | * | . | G | 310 helix | trans | -66.2 | -21.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | N162 D293 | N162-A295 PolarHBondContact ND2-O 2.84Å; D293-A295 PolarHBondContact O-N 3.01Å |
| 296 | C | 98.3 | Very high | 98.2 | Very high | 8 Ų | 8 | 26.4 Ų | 26.4 | 5% | 0.054 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -128.8 | 22.2 | -177 | 64.5 | 0 | 0 | 0 | 0 | 113.1 | I133 V159 E160 D293 A294 S298 | I133-C296 HydrophobicContact CD1-CB 3.64Å; I133-C296 HydrophobicContact CG1-CB 3.89Å; V159-C296 CarbonylContact C-O 3.53Å; V159-C296 WeakPolarHBondContact CA-O 3.39Å; V159-C296 HydrophobicContact CG1-CB 4.18Å; E160-C296 PolarHBondContact N-O 2.63Å; D293-C296 PolarHBondContact O-N 3.31Å; D293-C296 PolarHBondContact O-SG 3.25Å; A294-C296 PolarHBondContact O-N 3.44Å; C296-S298 PolarHBondContact O-N 2.93Å |
| 297 | R | 98.6 | Very high | 98.2 | Very high | 48 Ų | 48 | 25.7 Ų | 25.7 | 18% | 0.181 | 16% | 0.161 | C | C | . | . | B | Isolated β-bridge | trans | -63.3 | 126.3 | 174.8 | -85.8 | 175.9 | -179.6 | -173 | 5.7 | 110.9 | Y278 N282 V292 D293 | Y278-R297 HydrophobicContact CE1-CB 4.13Å; Y278-R297 VanDerWaalsContact CE1-CD 3.45Å; Y278-R297 HydrophobicContact CE1-CG 3.86Å; Y278-R297 HydrophobicContact CE2-CB 3.94Å; N282-R297 PolarHBondContact OD1-NH1 2.91Å; V292-R297 HydrophobicContact CB-CG 4.1Å; V292-R297 HydrophobicContact CG1-CG 4.12Å; V292-R297 PolarHBondContact O-NE 3.08Å; D293-R297 PolarHBondContact O-N 2.9Å |
| 298 | S | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -68.9 | 131 | 178.5 | 173.6 | 0 | 0 | 0 | 0 | 112.5 | N153 G158 Y278 C296 M300 N301 | N153-S298 WeakPolarHBondContact OD1-CB 3.47Å; N153-S298 PolarHBondContact OD1-OG 3.36Å; G158-S298 VanDerWaalsContact C-CB 3.45Å; G158-S298 VanDerWaalsContact O-CB 3.23Å; G158-S298 WeakPolarHBondContact O-CB 3.1Å; G158-S298 PolarHBondContact O-N 2.95Å; Y278-S298 WeakPolarHBondContact CE2-O 3.34Å; Y278-S298 PolarHBondContact OH-O 2.96Å; C296-S298 PolarHBondContact O-N 2.93Å; S298-M300 PolarHBondContact O-N 3.12Å; S298-M300 PolarHBondContact OG-N 3.28Å; S298-N301 WeakPolarHBondContact CB-O 3.47Å; S298-N301 PolarHBondContact OG-N 2.88Å | ||
| 299 | R | 98.7 | Very high | 97.8 | Very high | 30 Ų | 30 | 37.1 Ų | 37.1 | 11% | 0.113 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -73 | -22.2 | 169.1 | -64.9 | 166.4 | -68 | -175.8 | -0.3 | 112.2 | E160 R183 E267 | E160-R299 IonicContact OE1-CZ 2.64Å; E160-R299 IonicContact OE1-NE 2.76Å; E160-R299 IonicContact OE1-NH2 2.71Å; E160-R299 PolarHBondContact OE1-NH2 3.17Å; E160-R299 IonicContact OE2-CZ 3.91Å; E160-R299 PolarHBondContact OE2-N 3.35Å; E160-R299 IonicContact OE2-NE 2.73Å; E160-R299 PolarHBondContact OE2-NE 2.66Å; E160-R299 IonicContact OE2-NH2 3.11Å; R183-R299 VanDerWaalsContact CD-NH2 3.27Å; R183-R299 VanDerWaalsContact CZ-NH2 3.28Å; E267-R299 IonicContact OE1-NH1 3.95Å; E267-R299 PolarHBondContact OE1-NH1 3.37Å |
| 300 | M | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -91.3 | -35.1 | -173.8 | -59.5 | -62.2 | 97 | 0 | 0 | 112.8 | S178 N179 S182 N270 S298 S343 L344 Y345 | S178-M300 VanDerWaalsContact O-CG 3.28Å; S178-M300 WeakPolarHBondContact O-CG 3.29Å; N179-M300 HydrophobicContact CB-CG 3.78Å; S182-M300 WeakPolarHBondContact CB-SD 3.43Å; N270-M300 HydrophobicContact CB-CE 3.5Å; N270-M300 VanDerWaalsContact CB-CE 3.5Å; N270-M300 VanDerWaalsContact CG-CE 3.47Å; S298-M300 PolarHBondContact O-N 3.12Å; S298-M300 PolarHBondContact OG-N 3.28Å; M300-S343 CarbonylContact O-C 3.55Å; M300-S343 VanDerWaalsContact O-CA 3.26Å; M300-S343 WeakPolarHBondContact O-CA 3.43Å; M300-L344 PolarHBondContact O-N 2.92Å; M300-Y345 HydrophobicContact CB-CD1 4.27Å; M300-Y345 HydrophobicContact CB-CE1 4.16Å; M300-Y345 HydrophobicContact SD-CD1 4.36Å |
| 301 | N | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 106.1 | -173.8 | -57.2 | 108.7 | 0 | 0 | 0 | 109.2 | N153 T155 G158 S298 P303 R341 S343 Y345 | N153-N301 PolarHBondContact ND2-OD1 3.05Å; T155-N301 VanDerWaalsContact CG2-ND2 3.35Å; T155-N301 WeakPolarHBondContact CG2-ND2 3.2Å; T155-N301 WeakPolarHBondContact CG2-OD1 3.25Å; G158-N301 VanDerWaalsContact CA-O 3.24Å; G158-N301 WeakPolarHBondContact CA-O 3.34Å; S298-N301 WeakPolarHBondContact CB-O 3.47Å; S298-N301 PolarHBondContact OG-N 2.88Å; N301-P303 WeakPolarHBondContact O-CD 3.26Å; N301-R341 HydrophobicContact CB-CG 4.45Å; N301-S343 WeakPolarHBondContact ND2-CB 3.28Å; N301-S343 PolarHBondContact ND2-OG 3.28Å; N301-Y345 PolarHBondContact ND2-OH 3.41Å |
| 302 | V | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 96.6 | -176.2 | -178.4 | 0 | 0 | 0 | 0 | 109.6 | I277 Y278 I281 F304 R341 A342 L344 | I277-V302 HydrophobicContact CB-CG1 4.49Å; I277-V302 HydrophobicContact CG2-CB 4.45Å; I277-V302 HydrophobicContact CG2-CG1 3.76Å; Y278-V302 HydrophobicContact CD1-CG1 4.04Å; Y278-V302 HydrophobicContact CD2-CG2 4.42Å; Y278-V302 HydrophobicContact CE1-CB 4.44Å; Y278-V302 HydrophobicContact CE1-CG1 3.51Å; Y278-V302 HydrophobicContact CE1-CG2 4.41Å; Y278-V302 HydrophobicContact CE2-CG1 4.31Å; Y278-V302 HydrophobicContact CE2-CG2 3.72Å; I281-V302 HydrophobicContact CD1-CG1 3.85Å; V302-F304 HydrophobicContact CG1-CD1 4.45Å; V302-R341 WeakPolarHBondContact O-CA 3.42Å; V302-A342 HydrophobicContact CB-CB 4.46Å; V302-A342 PolarHBondContact N-O 3.42Å; V302-A342 PolarHBondContact O-N 3.03Å; V302-L344 HydrophobicContact CG2-CD1 3.85Å |
| 303 | P | 98.4 | Very high | 97.4 | Very high | 9 Ų | 9 | 48.7 Ų | 48.7 | 6% | 0.058 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 143.5 | 171.7 | 33.6 | -35.8 | 0 | 0 | 0 | 110.6 | H157 C290 V292 N301 M340 | H157-P303 WeakPolarHBondContact O-CG 3.12Å; C290-P303 PolarHBondContact SG-O 3.32Å; V292-P303 HydrophobicContact CG2-CG 4.01Å; N301-P303 WeakPolarHBondContact O-CD 3.26Å; P303-M340 VanDerWaalsContact CA-O 3.28Å; P303-M340 WeakPolarHBondContact CA-O 3.45Å |
| 304 | F | 98.7 | Very high | 97.4 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.009 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 160.8 | 171.9 | 58.5 | -81.8 | 0 | 0 | 0 | 110.8 | I281 Y288 V289 V302 V306 F319 M340 M360 | I281-F304 HydrophobicContact CD1-CB 3.91Å; I281-F304 HydrophobicContact CD1-CD1 4.32Å; I281-F304 HydrophobicContact CD1-CG 4.24Å; I281-F304 HydrophobicContact CG1-CB 4.46Å; Y288-F304 AromaticContact CD1-CD2 3.9Å; Y288-F304 HydrophobicContact CD1-CD2 3.9Å; Y288-F304 HydrophobicContact CD1-CE2 4.07Å; Y288-F304 HydrophobicContact CE1-CE2 4.24Å; V289-F304 CarbonylContact O-C 3.55Å; V289-F304 WeakPolarHBondContact O-CA 3.34Å; V302-F304 HydrophobicContact CG1-CD1 4.45Å; F304-V306 HydrophobicContact CD2-CG2 4.41Å; F304-V306 HydrophobicContact CE2-CG2 4.24Å; F304-F319 HydrophobicContact CE2-CE1 4.2Å; F304-F319 HydrophobicContact CE2-CZ 4.06Å; F304-F319 HydrophobicContact CZ-CE1 4.02Å; F304-F319 AromaticContact CZ-CZ 3.97Å; F304-F319 HydrophobicContact CZ-CZ 3.97Å; F304-M340 HydrophobicContact CD1-CB 4.07Å; F304-M340 HydrophobicContact CD2-CB 4.02Å; F304-M340 HydrophobicContact CD2-CE 3.78Å; F304-M340 HydrophobicContact CE1-CB 3.68Å; F304-M340 HydrophobicContact CE2-CB 3.62Å; F304-M340 HydrophobicContact CE2-CE 3.88Å; F304-M340 HydrophobicContact CE2-CG 3.87Å; F304-M340 HydrophobicContact CG-CB 4.23Å; F304-M340 HydrophobicContact CZ-CB 3.44Å; F304-M340 VanDerWaalsContact CZ-CB 3.44Å; F304-M340 HydrophobicContact CZ-CG 3.92Å; F304-M340 PolarHBondContact N-O 3.32Å; F304-M340 WeakPolarHBondContact O-CE 3.17Å; F304-M340 PolarHBondContact O-N 2.63Å; F304-M360 HydrophobicContact CE2-CE 4.29Å; F304-M360 HydrophobicContact CZ-CE 4.34Å; F304-M360 HydrophobicContact CZ-SD 4.33Å |
| 305 | R | 98.3 | Very high | 97.5 | Very high | 48 Ų | 48 | 45.5 Ų | 45.5 | 18% | 0.181 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 154.8 | 169.4 | -57.1 | -64.5 | -76.3 | -168.7 | 10.1 | 109.1 | Y288 V289 K309 E310 E316 V337 G338 | Y288-R305 WeakPolarHBondContact CA-O 3.43Å; V289-R305 PolarHBondContact N-O 2.92Å; V289-R305 PolarHBondContact O-N 2.98Å; R305-K309 WeakPolarHBondContact CG-O 3.3Å; R305-E310 PolarHBondContact NE-O 3.41Å; R305-E310 VanDerWaalsContact NE-O 3.08Å; R305-E310 PolarHBondContact NH2-O 2.89Å; R305-E316 IonicContact CZ-OE1 3.84Å; R305-E316 IonicContact CZ-OE2 3.92Å; R305-E316 IonicContact NE-OE1 3.03Å; R305-E316 PolarHBondContact NE-OE1 3.16Å; R305-E316 IonicContact NH2-OE1 2.68Å; R305-E316 IonicContact NH2-OE2 3.49Å; R305-V337 PolarHBondContact NH1-O 3.34Å; R305-G338 VanDerWaalsContact NH1-C 3.28Å |
| 306 | V | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 142.9 | 176.7 | 177 | 0 | 0 | 0 | 0 | 109.6 | F287 Y288 F304 K308 G311 D312 L315 E316 F319 M340 F363 | F287-V306 HydrophobicContact CD1-CG1 4.44Å; F287-V306 HydrophobicContact CE1-CG1 3.7Å; F287-V306 HydrophobicContact CZ-CG1 3.85Å; F287-V306 CarbonylContact O-C 3.52Å; F287-V306 WeakPolarHBondContact O-CA 3.39Å; Y288-V306 HydrophobicContact CD1-CG2 3.92Å; Y288-V306 HydrophobicContact CE1-CB 4.45Å; Y288-V306 HydrophobicContact CE1-CG1 4.26Å; Y288-V306 HydrophobicContact CE1-CG2 3.7Å; F304-V306 HydrophobicContact CD2-CG2 4.41Å; F304-V306 HydrophobicContact CE2-CG2 4.24Å; V306-K308 VanDerWaalsContact C-N 3.3Å; V306-K308 PolarHBondContact O-N 3.2Å; V306-G311 CarbonylContact O-C 3.37Å; V306-G311 WeakPolarHBondContact O-CA 3.5Å; V306-D312 PolarHBondContact O-N 3.48Å; V306-L315 HydrophobicContact CG1-CB 3.72Å; V306-E316 HydrophobicContact CB-CG 3.91Å; V306-E316 HydrophobicContact CG2-CG 4.37Å; V306-E316 PolarHBondContact N-OE1 2.79Å; V306-F319 HydrophobicContact CG2-CB 4.24Å; V306-F319 HydrophobicContact CG2-CD2 4.21Å; V306-F319 HydrophobicContact CG2-CG 4.12Å; V306-M340 HydrophobicContact CB-CE 3.89Å; V306-M340 HydrophobicContact CG2-CE 3.08Å; V306-M340 HydrophobicContact CG2-SD 3.86Å; V306-F363 HydrophobicContact CG1-CD1 4.48Å; V306-F363 HydrophobicContact CG1-CE1 3.67Å; V306-F363 HydrophobicContact CG1-CZ 4.46Å |
| 307 | G | 97.2 | Very high | 97.5 | Very high | 25 Ų | 25 | 48.5 Ų | 48.5 | 26% | 0.258 | 24% | 0.235 | S | C | . | . | S | Bend | trans | 89.5 | -43.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114 | F287 | F287-G307 PolarHBondContact O-N 3.1Š|
| 308 | K | 94.4 | Very high | 97.5 | Very high | 105 Ų | 105 | 50.8 Ų | 50.8 | 46% | 0.457 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -162.7 | 175.6 | 179.5 | 59.8 | -173.5 | 175.6 | -173.5 | 0 | 111.5 | V306 E310 G311 | V306-K308 VanDerWaalsContact C-N 3.3Å; V306-K308 PolarHBondContact O-N 3.2Å; K308-E310 VanDerWaalsContact C-N 3.34Å; K308-E310 PolarHBondContact O-N 3.19Å; K308-G311 WeakPolarHBondContact CE-O 3.28Å; K308-G311 WeakPolarHBondContact O-CA 3.24Å; K308-G311 PolarHBondContact O-N 2.57Å |
| 309 | K | 94 | Very high | 97.5 | Very high | 155 Ų | 155 | 50.8 Ų | 50.8 | 67% | 0.674 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -44.5 | -178.4 | -176.1 | 177.7 | -177 | -177.9 | 0 | 113.5 | V289 R305 G311 | V289-K309 HydrophobicContact CG1-CB 4.48Å; V289-K309 HydrophobicContact CG1-CG 4.27Å; R305-K309 WeakPolarHBondContact CG-O 3.3Å; K309-G311 VanDerWaalsContact C-N 3.26Å; K309-G311 PolarHBondContact O-N 3.36Å |
| 310 | E | 93.8 | Very high | 97.5 | Very high | 126 Ų | 126 | 51.6 Ų | 51.6 | 59% | 0.589 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -3.3 | 178.7 | -58.4 | 69.4 | -147.2 | 0 | 0 | 112.4 | R305 K308 | R305-E310 PolarHBondContact NE-O 3.41Å; R305-E310 VanDerWaalsContact NE-O 3.08Å; R305-E310 PolarHBondContact NH2-O 2.89Å; K308-E310 VanDerWaalsContact C-N 3.34Å; K308-E310 PolarHBondContact O-N 3.19Å |
| 311 | G | 96.3 | Very high | 97.5 | Very high | 9 Ų | 9 | 56 Ų | 56 | 9% | 0.093 | 27% | 0.273 | C | S | . | . | trans | 76.9 | 153.9 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | V306 K308 K309 | V306-G311 CarbonylContact O-C 3.37Å; V306-G311 WeakPolarHBondContact O-CA 3.5Å; K308-G311 WeakPolarHBondContact CE-O 3.28Å; K308-G311 WeakPolarHBondContact O-CA 3.24Å; K308-G311 PolarHBondContact O-N 2.57Å; K309-G311 VanDerWaalsContact C-N 3.26Å; K309-G311 PolarHBondContact O-N 3.36Å | ||
| 312 | D | 97.3 | Very high | 97.4 | Very high | 55 Ų | 55 | 56.4 Ų | 56.4 | 29% | 0.294 | 28% | 0.278 | S | S | . | . | trans | -116.1 | 111.2 | 169.3 | -179.1 | -47 | 0 | 0 | 0 | 108.6 | V306 S314 L315 E316 | V306-D312 PolarHBondContact O-N 3.48Å; D312-S314 PolarHBondContact O-N 2.79Å; D312-S314 WeakPolarHBondContact OD1-CA 3.33Å; D312-S314 VanDerWaalsContact OD1-CB 3.25Å; D312-S314 WeakPolarHBondContact OD1-CB 3.33Å; D312-S314 PolarHBondContact OD1-N 3.36Å; D312-L315 HydrophobicContact CB-CB 4.07Å; D312-L315 HydrophobicContact CB-CD1 4.03Å; D312-L315 HydrophobicContact CB-CG 4.17Å; D312-L315 PolarHBondContact O-N 3.33Å; D312-L315 VanDerWaalsContact O-N 3.12Å; D312-L315 PolarHBondContact OD1-N 2.96Å; D312-E316 WeakPolarHBondContact O-CB 3.46Å; D312-E316 VanDerWaalsContact O-CG 3.3Å; D312-E316 WeakPolarHBondContact O-CG 3.48Å; D312-E316 PolarHBondContact O-N 3.37Å | ||
| 313 | E | 96.2 | Very high | 97.4 | Very high | 161 Ų | 161 | 56.5 Ų | 56.5 | 75% | 0.752 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -58.7 | -32.4 | -174.7 | -62.7 | -172.9 | 167.9 | 0 | 0 | 113.4 | K317 | E313-K317 VanDerWaalsContact O-CB 3.27Å; E313-K317 WeakPolarHBondContact O-CB 3.49Å; E313-K317 PolarHBondContact O-N 3.28Å |
| 314 | S | 97.4 | Very high | 97.4 | Very high | 68 Ų | 68 | 58.5 Ų | 58.5 | 48% | 0.476 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -69.7 | -46 | 177.8 | -175.4 | 0 | 0 | 0 | 0 | 110.5 | D312 K317 K318 | D312-S314 PolarHBondContact O-N 2.79Å; D312-S314 WeakPolarHBondContact OD1-CA 3.33Å; D312-S314 VanDerWaalsContact OD1-CB 3.25Å; D312-S314 WeakPolarHBondContact OD1-CB 3.33Å; D312-S314 PolarHBondContact OD1-N 3.36Å; S314-K317 PolarHBondContact O-N 3.42Å; S314-K318 WeakPolarHBondContact O-CG 3.46Å; S314-K318 PolarHBondContact O-N 3.1Å |
| 315 | L | 98.2 | Very high | 97.3 | Very high | 26 Ų | 26 | 66.7 Ų | 66.7 | 14% | 0.136 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -69 | -39.3 | 176.5 | -66.8 | 176.5 | 0 | 0 | 0 | 112.3 | F287 V306 D312 K317 K318 F319 F363 H367 | F287-L315 HydrophobicContact CE2-CD1 4.18Å; V306-L315 HydrophobicContact CG1-CB 3.72Å; D312-L315 HydrophobicContact CB-CB 4.07Å; D312-L315 HydrophobicContact CB-CD1 4.03Å; D312-L315 HydrophobicContact CB-CG 4.17Å; D312-L315 PolarHBondContact O-N 3.33Å; D312-L315 VanDerWaalsContact O-N 3.12Å; D312-L315 PolarHBondContact OD1-N 2.96Å; L315-K317 VanDerWaalsContact C-N 3.33Å; L315-K317 PolarHBondContact O-N 3.06Å; L315-K318 HydrophobicContact CD2-CD 4.49Å; L315-K318 PolarHBondContact O-N 3.32Å; L315-F319 WeakPolarHBondContact O-CB 3.36Å; L315-F319 PolarHBondContact O-N 3.03Å; L315-F363 WeakPolarHBondContact O-CZ 3.45Å; L315-H367 HydrophobicContact CD2-CB 4.24Å |
| 316 | E | 98.4 | Very high | 97.2 | Very high | 18 Ų | 18 | 70.1 Ų | 70.1 | 8% | 0.084 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.7 | -41.7 | 175.2 | -70.5 | -173.5 | 168.1 | 0 | 0 | 111.4 | R305 V306 D312 F319 L320 G339 M340 | R305-E316 IonicContact CZ-OE1 3.84Å; R305-E316 IonicContact CZ-OE2 3.92Å; R305-E316 IonicContact NE-OE1 3.03Å; R305-E316 PolarHBondContact NE-OE1 3.16Å; R305-E316 IonicContact NH2-OE1 2.68Å; R305-E316 IonicContact NH2-OE2 3.49Å; V306-E316 HydrophobicContact CB-CG 3.91Å; V306-E316 HydrophobicContact CG2-CG 4.37Å; V306-E316 PolarHBondContact N-OE1 2.79Å; D312-E316 WeakPolarHBondContact O-CB 3.46Å; D312-E316 VanDerWaalsContact O-CG 3.3Å; D312-E316 WeakPolarHBondContact O-CG 3.48Å; D312-E316 PolarHBondContact O-N 3.37Å; E316-F319 PolarHBondContact O-N 3.03Å; E316-L320 WeakPolarHBondContact O-CG 3.49Å; E316-L320 PolarHBondContact O-N 2.78Å; E316-G339 WeakPolarHBondContact OE1-CA 3.16Å; E316-G339 WeakPolarHBondContact OE2-CA 3.35Å; E316-M340 HydrophobicContact CB-SD 3.98Å; E316-M340 HydrophobicContact CG-CE 3.82Å; E316-M340 HydrophobicContact CG-SD 3.8Å |
| 317 | K | 98.3 | Very high | 97.2 | Very high | 134 Ų | 134 | 70.4 Ų | 70.4 | 58% | 0.583 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -62 | -48.4 | 173.6 | -176.9 | 179.9 | 174.7 | -175.2 | 0 | 111.6 | E313 S314 L315 F319 L320 E321 | E313-K317 VanDerWaalsContact O-CB 3.27Å; E313-K317 WeakPolarHBondContact O-CB 3.49Å; E313-K317 PolarHBondContact O-N 3.28Å; S314-K317 PolarHBondContact O-N 3.42Å; L315-K317 VanDerWaalsContact C-N 3.33Å; L315-K317 PolarHBondContact O-N 3.06Å; K317-F319 VanDerWaalsContact C-N 3.29Å; K317-F319 PolarHBondContact O-N 3.12Å; K317-L320 PolarHBondContact O-N 2.9Å; K317-E321 WeakPolarHBondContact CE-OE1 3.47Å; K317-E321 WeakPolarHBondContact O-CG 3.43Å; K317-E321 PolarHBondContact O-N 2.77Å |
| 318 | K | 98.5 | Very high | 97.2 | Very high | 96 Ų | 96 | 69.5 Ų | 69.5 | 42% | 0.417 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.4 | -38.2 | 176.4 | -73.2 | 176.3 | -177.1 | -178.8 | 0 | 112.2 | S314 L315 E321 G322 F363 | S314-K318 WeakPolarHBondContact O-CG 3.46Å; S314-K318 PolarHBondContact O-N 3.1Å; L315-K318 HydrophobicContact CD2-CD 4.49Å; L315-K318 PolarHBondContact O-N 3.32Å; K318-E321 PolarHBondContact O-N 2.88Å; K318-G322 PolarHBondContact O-N 3.25Å; K318-F363 HydrophobicContact CB-CE2 4.06Å; K318-F363 HydrophobicContact CB-CZ 4.13Å |
| 319 | F | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.3 | -46.7 | 176.4 | -174.5 | -87.8 | 0 | 0 | 0 | 111.1 | Y288 F304 V306 L315 E316 K317 G322 A323 L331 M340 L356 Y359 M360 F363 | Y288-F319 HydrophobicContact CE1-CD2 4.33Å; Y288-F319 HydrophobicContact CE1-CE2 4.07Å; F304-F319 HydrophobicContact CE2-CE1 4.2Å; F304-F319 HydrophobicContact CE2-CZ 4.06Å; F304-F319 HydrophobicContact CZ-CE1 4.02Å; F304-F319 AromaticContact CZ-CZ 3.97Å; F304-F319 HydrophobicContact CZ-CZ 3.97Å; V306-F319 HydrophobicContact CG2-CB 4.24Å; V306-F319 HydrophobicContact CG2-CD2 4.21Å; V306-F319 HydrophobicContact CG2-CG 4.12Å; L315-F319 WeakPolarHBondContact O-CB 3.36Å; L315-F319 PolarHBondContact O-N 3.03Å; E316-F319 PolarHBondContact O-N 3.03Å; K317-F319 VanDerWaalsContact C-N 3.29Å; K317-F319 PolarHBondContact O-N 3.12Å; F319-G322 PolarHBondContact O-N 2.97Å; F319-A323 WeakPolarHBondContact O-CB 3.3Å; F319-A323 PolarHBondContact O-N 2.79Å; F319-L331 HydrophobicContact CE1-CD1 4.45Å; F319-M340 HydrophobicContact CD1-CG 3.71Å; F319-M340 HydrophobicContact CD1-SD 4.27Å; F319-M340 HydrophobicContact CE1-CG 3.89Å; F319-L356 HydrophobicContact CZ-CD1 4.24Å; F319-Y359 WeakPolarHBondContact CA-OH 3.42Å; F319-Y359 HydrophobicContact CD1-CE1 4.22Å; F319-Y359 AromaticContact CD2-CE1 3.74Å; F319-Y359 HydrophobicContact CD2-CE1 3.74Å; F319-Y359 HydrophobicContact CE1-CE1 4.01Å; F319-Y359 AromaticContact CE2-CD1 3.92Å; F319-Y359 HydrophobicContact CE2-CD1 3.92Å; F319-Y359 AromaticContact CE2-CE1 3.5Å; F319-Y359 HydrophobicContact CE2-CE1 3.5Å; F319-Y359 HydrophobicContact CG-CE1 4.1Å; F319-Y359 AromaticContact CZ-CD1 3.88Å; F319-Y359 HydrophobicContact CZ-CD1 3.88Å; F319-Y359 AromaticContact CZ-CE1 3.65Å; F319-Y359 HydrophobicContact CZ-CE1 3.65Å; F319-Y359 PolarHBondContact O-OH 2.9Å; F319-M360 HydrophobicContact CE2-CG 3.96Å; F319-M360 HydrophobicContact CZ-CG 3.86Å; F319-F363 HydrophobicContact CB-CE1 4.21Å; F319-F363 HydrophobicContact CB-CE2 4Å; F319-F363 HydrophobicContact CB-CZ 3.81Å; F319-F363 HydrophobicContact CD2-CB 4.32Å; F319-F363 AromaticContact CD2-CD1 3.76Å; F319-F363 HydrophobicContact CD2-CD1 3.76Å; F319-F363 HydrophobicContact CD2-CD2 4.09Å; F319-F363 HydrophobicContact CD2-CE1 4.03Å; F319-F363 HydrophobicContact CD2-CE2 4.34Å; F319-F363 AromaticContact CD2-CG 3.78Å; F319-F363 HydrophobicContact CD2-CG 3.78Å; F319-F363 HydrophobicContact CD2-CZ 4.3Å; F319-F363 HydrophobicContact CE2-CB 4.49Å; F319-F363 HydrophobicContact CE2-CG 4.41Å |
| 320 | L | 98.6 | Very high | 97.5 | Very high | 46 Ų | 46 | 63.6 Ų | 63.6 | 24% | 0.241 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65 | -41.1 | 178.1 | -69.1 | 171.3 | 0 | 0 | 0 | 112.4 | E316 K317 A323 A324 L331 K332 M340 | E316-L320 WeakPolarHBondContact O-CG 3.49Å; E316-L320 PolarHBondContact O-N 2.78Å; K317-L320 PolarHBondContact O-N 2.9Å; L320-A323 PolarHBondContact O-N 3.46Å; L320-A324 WeakPolarHBondContact O-CB 3.48Å; L320-A324 PolarHBondContact O-N 3.09Å; L320-L331 HydrophobicContact CD2-CB 3.97Å; L320-K332 HydrophobicContact CD1-CB 4.05Å; L320-K332 HydrophobicContact CD1-CD 4.27Å; L320-K332 HydrophobicContact CD1-CG 4Å; L320-K332 HydrophobicContact CD2-CB 4.1Å; L320-M340 HydrophobicContact CD2-CG 4.49Å |
| 321 | E | 98.4 | Very high | 97.7 | Very high | 92 Ų | 92 | 57.8 Ų | 57.8 | 43% | 0.43 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65 | -42.7 | 176 | -71.8 | 173.8 | -176.2 | 0 | 0 | 111.9 | K317 K318 A324 K325 | K317-E321 WeakPolarHBondContact CE-OE1 3.47Å; K317-E321 WeakPolarHBondContact O-CG 3.43Å; K317-E321 PolarHBondContact O-N 2.77Å; K318-E321 PolarHBondContact O-N 2.88Å; E321-A324 PolarHBondContact O-N 3.19Å; E321-K325 WeakPolarHBondContact O-CG 3.2Å; E321-K325 PolarHBondContact O-N 3.07Å |
| 322 | G | 98.2 | Very high | 97.8 | Very high | 10 Ų | 10 | 64.8 Ų | 64.8 | 10% | 0.103 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.6 | -35.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | K318 F319 R326 Y359 | K318-G322 PolarHBondContact O-N 3.25Å; F319-G322 PolarHBondContact O-N 2.97Å; G322-R326 WeakPolarHBondContact O-CG 3.16Å; G322-R326 PolarHBondContact O-N 2.91Å; G322-R326 PolarHBondContact O-NH1 2.91Å; G322-Y359 WeakPolarHBondContact CA-OH 3.21Å |
| 323 | A | 98.3 | Very high | 97.8 | Very high | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.008 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.5 | -45.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | F319 L320 K325 R326 G327 M328 L331 Y359 | F319-A323 WeakPolarHBondContact O-CB 3.3Å; F319-A323 PolarHBondContact O-N 2.79Å; L320-A323 PolarHBondContact O-N 3.46Å; A323-K325 VanDerWaalsContact C-N 3.33Å; A323-K325 PolarHBondContact O-N 3.08Å; A323-R326 CarbonylContact O-C 3.55Å; A323-R326 WeakPolarHBondContact O-CA 3.35Å; A323-R326 WeakPolarHBondContact O-CB 3.44Å; A323-R326 PolarHBondContact O-N 3.28Å; A323-G327 PolarHBondContact O-N 3.25Å; A323-M328 CarbonylContact C-O 3.47Å; A323-M328 HydrophobicContact CB-CB 4.14Å; A323-M328 HydrophobicContact CB-CE 4.35Å; A323-M328 PolarHBondContact O-N 3.12Å; A323-L331 HydrophobicContact CB-CD1 3.72Å; A323-Y359 HydrophobicContact CB-CD1 4.22Å; A323-Y359 HydrophobicContact CB-CE1 3.73Å; A323-Y359 PolarHBondContact N-OH 3.48Å |
| 324 | A | 97.4 | Very high | 97.7 | Very high | 52 Ų | 52 | 57.9 Ų | 57.9 | 43% | 0.43 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.9 | -38.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | L320 E321 R326 G327 M328 | L320-A324 WeakPolarHBondContact O-CB 3.48Å; L320-A324 PolarHBondContact O-N 3.09Å; E321-A324 PolarHBondContact O-N 3.19Å; A324-R326 PolarHBondContact O-N 3.46Å; A324-G327 PolarHBondContact O-N 3.47Å; A324-M328 PolarHBondContact N-O 2.77Å |
| 325 | K | 97.1 | Very high | 97.4 | Very high | 173 Ų | 173 | 65.9 Ų | 65.9 | 75% | 0.752 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -60.7 | -27.7 | 173 | -73.9 | 173.9 | -176.2 | 176.7 | 0 | 112.9 | E321 A323 G327 | E321-K325 WeakPolarHBondContact O-CG 3.2Å; E321-K325 PolarHBondContact O-N 3.07Å; A323-K325 VanDerWaalsContact C-N 3.33Å; A323-K325 PolarHBondContact O-N 3.08Å; K325-G327 VanDerWaalsContact C-N 3.33Å |
| 326 | R | 96.8 | Very high | 96.9 | Very high | 121 Ų | 121 | 68.2 Ų | 68.2 | 46% | 0.457 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 10.8 | 176.4 | -67.9 | 168.3 | 174.6 | 73.7 | -3.1 | 113.2 | G322 A323 A324 M328 Y359 | G322-R326 WeakPolarHBondContact O-CG 3.16Å; G322-R326 PolarHBondContact O-N 2.91Å; G322-R326 PolarHBondContact O-NH1 2.91Å; A323-R326 CarbonylContact O-C 3.55Å; A323-R326 WeakPolarHBondContact O-CA 3.35Å; A323-R326 WeakPolarHBondContact O-CB 3.44Å; A323-R326 PolarHBondContact O-N 3.28Å; A324-R326 PolarHBondContact O-N 3.46Å; R326-M328 VanDerWaalsContact C-N 3.25Å; R326-M328 HydrophobicContact CB-CE 3.74Å; R326-M328 PolarHBondContact O-N 3.33Å; R326-Y359 VanDerWaalsContact CD-CD2 3.48Å |
| 327 | G | 97.1 | Very high | 96.6 | Very high | 5 Ų | 5 | 70 Ų | 70 | 5% | 0.052 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.7 | 11.6 | -180 | 0 | 0 | 0 | 0 | 0 | 114.5 | T6 I7 A323 A324 K325 | T6-G327 CarbonylContact C-O 3.54Å; T6-G327 WeakPolarHBondContact CA-O 3.3Å; T6-G327 WeakPolarHBondContact CG2-O 3.28Å; I7-G327 PolarHBondContact N-O 2.83Å; A323-G327 PolarHBondContact O-N 3.25Å; A324-G327 PolarHBondContact O-N 3.47Å; K325-G327 VanDerWaalsContact C-N 3.33Å |
| 328 | M | 98.2 | Very high | 96.4 | Very high | 6 Ų | 6 | 65 Ų | 65 | 3% | 0.03 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 121.9 | 175.1 | -65.9 | -178.6 | -80.7 | 0 | 0 | 110.3 | I7 F9 A323 A324 R326 L331 L356 Y359 | I7-M328 HydrophobicContact CB-CG 4.15Å; I7-M328 HydrophobicContact CD1-CG 4.06Å; I7-M328 WeakPolarHBondContact O-CA 3.43Å; F9-M328 HydrophobicContact CD2-CB 4.41Å; F9-M328 HydrophobicContact CE2-CB 4.08Å; F9-M328 HydrophobicContact CE2-CG 3.93Å; F9-M328 HydrophobicContact CE2-SD 3.97Å; A323-M328 CarbonylContact C-O 3.47Å; A323-M328 HydrophobicContact CB-CB 4.14Å; A323-M328 HydrophobicContact CB-CE 4.35Å; A323-M328 PolarHBondContact O-N 3.12Å; A324-M328 PolarHBondContact N-O 2.77Å; R326-M328 VanDerWaalsContact C-N 3.25Å; R326-M328 HydrophobicContact CB-CE 3.74Å; R326-M328 PolarHBondContact O-N 3.33Å; M328-L331 HydrophobicContact CB-CD1 4.08Å; M328-L356 HydrophobicContact SD-CB 4.04Å; M328-L356 HydrophobicContact SD-CD1 4.07Å; M328-Y359 HydrophobicContact CE-CD1 3.67Å; M328-Y359 HydrophobicContact CE-CG 3.72Å |
| 329 | I | 97.7 | Very high | 96.3 | Very high | 74 Ų | 74 | 60.8 Ų | 60.8 | 38% | 0.379 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 166 | -176.2 | 66.5 | 168.9 | 0 | 0 | 0 | 112 | T6 I7 N8 F9 L331 | T6-I329 HydrophobicContact CG2-CD1 3.87Å; T6-I329 HydrophobicContact CG2-CG1 3.99Å; T6-I329 HydrophobicContact CG2-CG2 4.05Å; I7-I329 WeakPolarHBondContact O-CG1 3.43Å; I7-I329 PolarHBondContact O-N 3.47Å; N8-I329 HydrophobicContact CB-CD1 4.23Å; N8-I329 HydrophobicContact CB-CG1 4.1Å; F9-I329 PolarHBondContact N-O 3.17Å; F9-I329 VanDerWaalsContact N-O 3.09Å; I329-L331 VanDerWaalsContact C-N 3.29Å; I329-L331 PolarHBondContact O-N 3.28Å |
| 330 | S | 97.5 | Very high | 96.3 | Very high | 62 Ų | 62 | 60.8 Ų | 60.8 | 43% | 0.434 | 31% | 0.31 | S | S | . | . | trans | 65.8 | 24.5 | 173.3 | -48.3 | 0 | 0 | 0 | 0 | 115.5 | N8 G10 | N8-S330 WeakPolarHBondContact OD1-CB 3.46Å; N8-S330 PolarHBondContact OD1-OG 3.13Å; G10-S330 VanDerWaalsContact CA-CB 3.45Å | ||
| 331 | L | 98.4 | Very high | 96.3 | Very high | 5 Ų | 5 | 60 Ų | 60 | 3% | 0.026 | 30% | 0.304 | C | S | . | . | trans | -83.9 | -11.1 | 177.4 | -74.9 | 166.5 | 0 | 0 | 0 | 114.3 | F9 F319 L320 A323 M328 I329 G333 M340 R341 A342 L356 | F9-L331 HydrophobicContact CB-CD2 3.77Å; F9-L331 HydrophobicContact CB-CG 4.18Å; F9-L331 HydrophobicContact CD2-CD1 4.14Å; F9-L331 HydrophobicContact CD2-CD2 3.69Å; F9-L331 HydrophobicContact CD2-CG 3.83Å; F9-L331 HydrophobicContact CE2-CD2 4.41Å; F9-L331 HydrophobicContact CG-CD2 3.74Å; F9-L331 HydrophobicContact CG-CG 4.26Å; F319-L331 HydrophobicContact CE1-CD1 4.45Å; L320-L331 HydrophobicContact CD2-CB 3.97Å; A323-L331 HydrophobicContact CB-CD1 3.72Å; M328-L331 HydrophobicContact CB-CD1 4.08Å; I329-L331 VanDerWaalsContact C-N 3.29Å; I329-L331 PolarHBondContact O-N 3.28Å; L331-G333 PolarHBondContact O-N 3.1Å; L331-M340 CarbonylContact O-C 3.4Å; L331-M340 WeakPolarHBondContact O-CA 3.49Å; L331-R341 PolarHBondContact O-N 3.06Å; L331-A342 HydrophobicContact CD2-CB 3.97Å; L331-L356 HydrophobicContact CD1-CD1 3.92Å; L331-L356 HydrophobicContact CD2-CD1 4.26Å; L331-L356 HydrophobicContact CD2-CD2 4.03Å | ||
| 332 | K | 98.1 | Very high | 96.4 | Very high | 156 Ų | 156 | 55.6 Ų | 55.6 | 68% | 0.678 | 28% | 0.284 | S | S | * | . | B | Isolated β-bridge | trans | -64.6 | 127.8 | 178.2 | -171.3 | 172.5 | -176.7 | 174.4 | 0 | 109.9 | L320 | L320-K332 HydrophobicContact CD1-CB 4.05Å; L320-K332 HydrophobicContact CD1-CD 4.27Å; L320-K332 HydrophobicContact CD1-CG 4Å; L320-K332 HydrophobicContact CD2-CB 4.1Å |
| 333 | G | 96.3 | Very high | 96.4 | Very high | 8 Ų | 8 | 55.2 Ų | 55.2 | 8% | 0.082 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 161.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L331 G339 | L331-G333 PolarHBondContact O-N 3.1Å; G333-G339 WeakPolarHBondContact CA-O 3.47Å; G333-G339 PolarHBondContact N-O 3.04Å |
| 334 | H | 94.7 | Very high | 96.4 | Very high | 62 Ų | 62 | 55.1 Ų | 55.1 | 29% | 0.287 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -64 | 142.8 | 179.8 | -175.8 | -94.8 | 0 | 0 | 0 | 110.5 | V156 S336 V337 G338 | V156-H334 HydrophobicContact CG1-CB 4.04Å; V156-H334 HydrophobicContact CG2-CB 4.49Å; H334-S336 PolarHBondContact CE1-OG 3.33Å; H334-S336 PolarHBondContact ND1-N 3.46Å; H334-S336 PolarHBondContact ND1-OG 2.81Å; H334-S336 PolarHBondContact O-N 3.24Å; H334-V337 HydrophobicContact CB-CG2 4.17Å; H334-V337 WeakPolarHBondContact O-CG2 3.39Å; H334-V337 PolarHBondContact O-N 3.29Å; H334-G338 PolarHBondContact O-N 3.32Å |
| 335 | R | 90.4 | Very high | 96.5 | Very high | 237 Ų | 237 | 52.8 Ų | 52.8 | 89% | 0.894 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | -28.6 | -173.9 | 66.9 | 178.9 | -179.1 | 179.7 | 1.3 | 115.1 | V337 | R335-V337 VanDerWaalsContact C-N 3.34Š|
| 336 | S | 88.6 | Confident | 96.6 | Very high | 75 Ų | 75 | 45 Ų | 45 | 52% | 0.524 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -14 | -179.2 | 64 | 0 | 0 | 0 | 0 | 114.2 | H334 | H334-S336 PolarHBondContact CE1-OG 3.33Å; H334-S336 PolarHBondContact ND1-N 3.46Å; H334-S336 PolarHBondContact ND1-OG 2.81Å; H334-S336 PolarHBondContact O-N 3.24Å |
| 337 | V | 92.2 | Very high | 96.6 | Very high | 55 Ų | 55 | 39.8 Ų | 39.8 | 33% | 0.333 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -125.6 | -17.4 | -177.5 | -59.2 | 0 | 0 | 0 | 0 | 113 | V156 R305 H334 R335 | V156-V337 HydrophobicContact CG1-CG1 3.97Å; V156-V337 HydrophobicContact CG1-CG2 4.33Å; R305-V337 PolarHBondContact NH1-O 3.34Å; H334-V337 HydrophobicContact CB-CG2 4.17Å; H334-V337 WeakPolarHBondContact O-CG2 3.39Å; H334-V337 PolarHBondContact O-N 3.29Å; R335-V337 VanDerWaalsContact C-N 3.34Å |
| 338 | G | 93.6 | Very high | 96.7 | Very high | 30 Ų | 30 | 39.8 Ų | 39.8 | 31% | 0.309 | 21% | 0.207 | S | C | . | . | trans | 65.4 | -160.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | R305 H334 | R305-G338 VanDerWaalsContact NH1-C 3.28Å; H334-G338 PolarHBondContact O-N 3.32Å | ||
| 339 | G | 97.3 | Very high | 96.7 | Very high | 6 Ų | 6 | 42.2 Ų | 42.2 | 6% | 0.062 | 22% | 0.222 | C | C | . | . | S | Bend | trans | 69 | -149.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | E316 G333 | E316-G339 WeakPolarHBondContact OE1-CA 3.16Å; E316-G339 WeakPolarHBondContact OE2-CA 3.35Å; G333-G339 WeakPolarHBondContact CA-O 3.47Å; G333-G339 PolarHBondContact N-O 3.04Å |
| 340 | M | 98.5 | Very high | 96.7 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 155.4 | 179.5 | -72.8 | 62.9 | 47.5 | 0 | 0 | 109.7 | P303 F304 V306 E316 F319 L320 L331 | P303-M340 VanDerWaalsContact CA-O 3.28Å; P303-M340 WeakPolarHBondContact CA-O 3.45Å; F304-M340 HydrophobicContact CD1-CB 4.07Å; F304-M340 HydrophobicContact CD2-CB 4.02Å; F304-M340 HydrophobicContact CD2-CE 3.78Å; F304-M340 HydrophobicContact CE1-CB 3.68Å; F304-M340 HydrophobicContact CE2-CB 3.62Å; F304-M340 HydrophobicContact CE2-CE 3.88Å; F304-M340 HydrophobicContact CE2-CG 3.87Å; F304-M340 HydrophobicContact CG-CB 4.23Å; F304-M340 HydrophobicContact CZ-CB 3.44Å; F304-M340 VanDerWaalsContact CZ-CB 3.44Å; F304-M340 HydrophobicContact CZ-CG 3.92Å; F304-M340 PolarHBondContact N-O 3.32Å; F304-M340 WeakPolarHBondContact O-CE 3.17Å; F304-M340 PolarHBondContact O-N 2.63Å; V306-M340 HydrophobicContact CB-CE 3.89Å; V306-M340 HydrophobicContact CG2-CE 3.08Å; V306-M340 HydrophobicContact CG2-SD 3.86Å; E316-M340 HydrophobicContact CB-SD 3.98Å; E316-M340 HydrophobicContact CG-CE 3.82Å; E316-M340 HydrophobicContact CG-SD 3.8Å; F319-M340 HydrophobicContact CD1-CG 3.71Å; F319-M340 HydrophobicContact CD1-SD 4.27Å; F319-M340 HydrophobicContact CE1-CG 3.89Å; L320-M340 HydrophobicContact CD2-CG 4.49Å; L331-M340 CarbonylContact O-C 3.4Å; L331-M340 WeakPolarHBondContact O-CA 3.49Å |
| 341 | R | 98.6 | Very high | 96.8 | Very high | 29 Ų | 29 | 44.2 Ų | 44.2 | 11% | 0.109 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 118.5 | 168.2 | -178 | 179.3 | 58.8 | -175.6 | -7 | 110 | T155 N301 V302 L331 | T155-R341 VanDerWaalsContact O-CD 3.25Å; T155-R341 WeakPolarHBondContact O-CD 3.46Å; T155-R341 PolarHBondContact O-NH1 2.85Å; N301-R341 HydrophobicContact CB-CG 4.45Å; V302-R341 WeakPolarHBondContact O-CA 3.42Å; L331-R341 PolarHBondContact O-N 3.06Å |
| 342 | A | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 115.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | F9 V302 L331 L344 L356 | F9-A342 HydrophobicContact CD1-CB 4.43Å; V302-A342 HydrophobicContact CB-CB 4.46Å; V302-A342 PolarHBondContact N-O 3.42Å; V302-A342 PolarHBondContact O-N 3.03Å; L331-A342 HydrophobicContact CD2-CB 3.97Å; A342-L344 HydrophobicContact CB-CD2 4.39Å; A342-L356 HydrophobicContact CB-CD2 3.54Å |
| 343 | S | 98.8 | Very high | 96.8 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.007 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 119.5 | 173.1 | -46.3 | 0 | 0 | 0 | 0 | 109.3 | F9 A11 M300 N301 | F9-S343 WeakPolarHBondContact O-CB 3.47Å; F9-S343 PolarHBondContact O-N 3.3Å; F9-S343 PolarHBondContact O-OG 2.84Å; F9-S343 VanDerWaalsContact O-OG 3.13Å; A11-S343 VanDerWaalsContact CA-OG 3.3Å; A11-S343 WeakPolarHBondContact CA-OG 3.37Å; A11-S343 WeakPolarHBondContact CB-OG 3.5Å; M300-S343 CarbonylContact O-C 3.55Å; M300-S343 VanDerWaalsContact O-CA 3.26Å; M300-S343 WeakPolarHBondContact O-CA 3.43Å; N301-S343 WeakPolarHBondContact ND2-CB 3.28Å; N301-S343 PolarHBondContact ND2-OG 3.28Å |
| 344 | L | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -113.1 | 37.1 | -168.5 | -57.2 | 176.7 | 0 | 0 | 0 | 111.9 | F9 K273 I277 M300 V302 A342 V348 A353 | F9-L344 HydrophobicContact CD1-CD2 4.11Å; F9-L344 HydrophobicContact CE1-CD2 3.93Å; K273-L344 HydrophobicContact CB-CD1 4.27Å; K273-L344 WeakPolarHBondContact CE-O 3.27Å; K273-L344 PolarHBondContact NZ-O 3.24Å; I277-L344 HydrophobicContact CG1-CD1 4.22Å; M300-L344 PolarHBondContact O-N 2.92Å; V302-L344 HydrophobicContact CG2-CD1 3.85Å; A342-L344 HydrophobicContact CB-CD2 4.39Å; L344-V348 HydrophobicContact CD2-CG1 4.15Å; L344-A353 HydrophobicContact CD2-CB 4.41Å | ||
| 345 | Y | 98.8 | Very high | 97.1 | Very high | 3 Ų | 3 | 36.8 Ų | 36.8 | 1% | 0.012 | 20% | 0.202 | C | C | . | . | trans | -51.2 | 166.1 | 177.4 | -63.3 | -50.5 | 0 | 0 | 0 | 113.2 | G10 A11 A14 T155 S178 K199 N200 K273 M300 N301 A347 V348 | G10-Y345 WeakPolarHBondContact O-CE2 3.19Å; A11-Y345 PolarHBondContact O-OH 2.79Å; A14-Y345 HydrophobicContact CB-CD2 3.43Å; A14-Y345 VanDerWaalsContact CB-CD2 3.43Å; A14-Y345 HydrophobicContact CB-CE2 3.82Å; A14-Y345 HydrophobicContact CB-CG 4.34Å; T155-Y345 VanDerWaalsContact CG2-OH 3.29Å; T155-Y345 WeakPolarHBondContact CG2-OH 3.05Å; S178-Y345 WeakPolarHBondContact O-CE1 3.19Å; K199-Y345 HydrophobicContact CB-CE1 4.09Å; K199-Y345 HydrophobicContact CB-CE2 4.28Å; K199-Y345 WeakPolarHBondContact O-CD2 3.3Å; K199-Y345 WeakPolarHBondContact O-CE2 3.47Å; N200-Y345 HydrophobicContact CB-CD1 4.19Å; N200-Y345 VanDerWaalsContact OD1-CA 3.25Å; N200-Y345 WeakPolarHBondContact OD1-CA 3.29Å; N200-Y345 WeakPolarHBondContact OD1-CB 3.38Å; N200-Y345 WeakPolarHBondContact OD1-CD1 3.35Å; K273-Y345 PolarHBondContact NZ-O 3.5Å; M300-Y345 HydrophobicContact CB-CD1 4.27Å; M300-Y345 HydrophobicContact CB-CE1 4.16Å; M300-Y345 HydrophobicContact SD-CD1 4.36Å; N301-Y345 PolarHBondContact ND2-OH 3.41Å; Y345-A347 PolarHBondContact O-N 3.14Å; Y345-V348 WeakPolarHBondContact O-CB 3.12Å; Y345-V348 PolarHBondContact O-N 3.22Å | ||
| 346 | N | 98.7 | Very high | 97.5 | Very high | 8 Ų | 8 | 25.5 Ų | 25.5 | 4% | 0.043 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.4 | -40 | -171 | -73.3 | 0.4 | 0 | 0 | 0 | 114 | L181 S182 N200 W256 M266 N270 V348 | L181-N346 PolarHBondContact O-ND2 3.1Å; S182-N346 WeakPolarHBondContact CA-OD1 3.35Å; N200-N346 VanDerWaalsContact ND2-CG 3.34Å; N200-N346 PolarHBondContact ND2-ND2 3.4Å; N200-N346 PolarHBondContact ND2-OD1 2.88Å; N200-N346 PolarHBondContact OD1-N 2.8Å; W256-N346 HydrophobicContact CZ3-CB 4.44Å; M266-N346 HydrophobicContact SD-CB 3.87Å; N270-N346 PolarHBondContact ND2-OD1 2.79Å; N346-V348 VanDerWaalsContact C-N 3.33Å; N346-V348 PolarHBondContact O-N 3.43Å |
| 347 | A | 98.2 | Very high | 98 | Very high | 13 Ų | 13 | 22 Ų | 22 | 11% | 0.107 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -9.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | K15 P17 Y345 | K15-A347 HydrophobicContact CG-CB 4.39Å; K15-A347 VanDerWaalsContact O-CB 3.27Å; K15-A347 WeakPolarHBondContact O-CB 3.22Å; P17-A347 HydrophobicContact CG-CB 3.98Å; Y345-A347 PolarHBondContact O-N 3.14Å |
| 348 | V | 98.4 | Very high | 98.3 | Very high | 5 Ų | 5 | 23.4 Ų | 23.4 | 3% | 0.03 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -74.8 | 124.2 | 166.4 | -179.8 | 0 | 0 | 0 | 0 | 107.3 | F9 K273 L344 Y345 N346 D352 | F9-V348 HydrophobicContact CD1-CG1 4.47Å; F9-V348 HydrophobicContact CE1-CG1 4.08Å; K273-V348 HydrophobicContact CD-CG1 4.41Å; K273-V348 WeakPolarHBondContact CD-O 3.38Å; K273-V348 WeakPolarHBondContact CE-O 3.45Å; K273-V348 PolarHBondContact NZ-O 3.17Å; L344-V348 HydrophobicContact CD2-CG1 4.15Å; Y345-V348 WeakPolarHBondContact O-CB 3.12Å; Y345-V348 PolarHBondContact O-N 3.22Å; N346-V348 VanDerWaalsContact C-N 3.33Å; N346-V348 PolarHBondContact O-N 3.43Å; V348-D352 HydrophobicContact CG1-CB 3.67Å |
| 349 | T | 98.3 | Very high | 98.5 | Very high | 56 Ų | 56 | 22.3 Ų | 22.3 | 34% | 0.344 | 13% | 0.127 | S | C | . | . | trans | -83.1 | 168.9 | -175.2 | 63.3 | 0 | 0 | 0 | 0 | 111.6 | E351 D352 A353 | T349-E351 VanDerWaalsContact C-N 3.25Å; T349-E351 VanDerWaalsContact CB-OE2 3.3Å; T349-E351 WeakPolarHBondContact CB-OE2 3.43Å; T349-E351 PolarHBondContact OG1-OE2 2.74Å; T349-D352 WeakPolarHBondContact CB-OD2 3.3Å; T349-D352 PolarHBondContact N-OD2 3.4Å; T349-D352 PolarHBondContact O-N 3.17Å; T349-D352 PolarHBondContact OG1-N 3.24Å; T349-D352 PolarHBondContact OG1-OD2 2.86Å; T349-A353 PolarHBondContact O-N 3.49Å | ||
| 350 | L | 98.4 | Very high | 98.6 | Very high | 44 Ų | 44 | 22 Ų | 22 | 23% | 0.23 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65 | -36 | 172.5 | -74.9 | 169 | 0 | 0 | 0 | 110.7 | L269 Q272 K273 M276 A353 A354 | L269-L350 HydrophobicContact CD2-CD1 3.74Å; L269-L350 HydrophobicContact CD2-CG 4.15Å; Q272-L350 HydrophobicContact CB-CD2 3.66Å; K273-L350 HydrophobicContact CG-CD2 3.71Å; K273-L350 HydrophobicContact CG-CG 4.44Å; M276-L350 HydrophobicContact CE-CD2 3.88Å; L350-A353 PolarHBondContact O-N 3.3Å; L350-A354 VanDerWaalsContact O-CB 3.28Å; L350-A354 WeakPolarHBondContact O-CB 3.44Å; L350-A354 PolarHBondContact O-N 3.14Å |
| 351 | E | 98.3 | Very high | 98.6 | Very high | 135 Ų | 135 | 28.2 Ų | 28.2 | 63% | 0.631 | 15% | 0.147 | S | C | * | . | H | α-helix | trans | -64.9 | -41.4 | 177.7 | -62.7 | 70.1 | -154 | 0 | 0 | 111 | T349 A354 A355 | T349-E351 VanDerWaalsContact C-N 3.25Å; T349-E351 VanDerWaalsContact CB-OE2 3.3Å; T349-E351 WeakPolarHBondContact CB-OE2 3.43Å; T349-E351 PolarHBondContact OG1-OE2 2.74Å; E351-A354 PolarHBondContact O-N 3Å; E351-A355 WeakPolarHBondContact O-CB 3.32Å; E351-A355 PolarHBondContact O-N 2.68Å |
| 352 | D | 98.4 | Very high | 98.6 | Very high | 6 Ų | 6 | 29.4 Ų | 29.4 | 3% | 0.032 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.4 | -46.8 | 173.8 | -64.2 | -49.9 | 0 | 0 | 0 | 111.1 | I7 F9 K15 V348 T349 A355 L356 | I7-D352 HydrophobicContact CG2-CB 3.66Å; I7-D352 WeakPolarHBondContact CG2-OD1 3.48Å; F9-D352 WeakPolarHBondContact CZ-O 3.09Å; K15-D352 VanDerWaalsContact NZ-CG 3.26Å; K15-D352 IonicContact NZ-OD1 3.37Å; K15-D352 PolarHBondContact NZ-OD1 3.38Å; K15-D352 VanDerWaalsContact NZ-OD1 3.11Å; K15-D352 IonicContact NZ-OD2 3.08Å; K15-D352 PolarHBondContact NZ-OD2 3.09Å; V348-D352 HydrophobicContact CG1-CB 3.67Å; T349-D352 WeakPolarHBondContact CB-OD2 3.3Å; T349-D352 PolarHBondContact N-OD2 3.4Å; T349-D352 PolarHBondContact O-N 3.17Å; T349-D352 PolarHBondContact OG1-N 3.24Å; T349-D352 PolarHBondContact OG1-OD2 2.86Å; D352-A355 PolarHBondContact O-N 2.94Å; D352-L356 PolarHBondContact O-N 3.19Å |
| 353 | A | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.5 | -39.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112 | K273 M276 L344 T349 L350 L356 A357 | K273-A353 HydrophobicContact CB-CB 3.9Å; K273-A353 HydrophobicContact CD-CB 4.4Å; K273-A353 HydrophobicContact CG-CB 3.81Å; M276-A353 HydrophobicContact SD-CB 4.27Å; L344-A353 HydrophobicContact CD2-CB 4.41Å; T349-A353 PolarHBondContact O-N 3.49Å; L350-A353 PolarHBondContact O-N 3.3Å; A353-L356 PolarHBondContact O-N 3.34Å; A353-A357 WeakPolarHBondContact O-CB 3.07Å; A353-A357 PolarHBondContact O-N 3.08Å |
| 354 | A | 98.7 | Very high | 98.6 | Very high | 31 Ų | 31 | 30.5 Ų | 30.5 | 26% | 0.256 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -63.2 | -41.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | M276 L350 E351 L356 A357 D358 | M276-A354 HydrophobicContact SD-CB 4.38Å; L350-A354 VanDerWaalsContact O-CB 3.28Å; L350-A354 WeakPolarHBondContact O-CB 3.44Å; L350-A354 PolarHBondContact O-N 3.14Å; E351-A354 PolarHBondContact O-N 3Å; A354-L356 VanDerWaalsContact C-N 3.31Å; A354-L356 PolarHBondContact O-N 2.98Å; A354-A357 WeakPolarHBondContact O-CB 3.49Å; A354-A357 PolarHBondContact O-N 3.48Å; A354-A357 VanDerWaalsContact O-N 3.12Å; A354-D358 PolarHBondContact O-N 2.83Å |
| 355 | A | 98.6 | Very high | 98.5 | Very high | 37 Ų | 37 | 39.1 Ų | 39.1 | 31% | 0.306 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.6 | -39.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I7 E351 D352 Y359 | I7-A355 HydrophobicContact CD1-CB 3.78Å; E351-A355 WeakPolarHBondContact O-CB 3.32Å; E351-A355 PolarHBondContact O-N 2.68Å; D352-A355 PolarHBondContact O-N 2.94Å; A355-Y359 WeakPolarHBondContact O-CB 3.38Å; A355-Y359 PolarHBondContact O-N 2.78Å; A355-Y359 VanDerWaalsContact O-N 3.12Å |
| 356 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.9 | -43.8 | 172.6 | 177.6 | 61.6 | 0 | 0 | 0 | 111.6 | F9 I277 F319 M328 L331 A342 D352 A353 A354 D358 Y359 M360 | F9-L356 HydrophobicContact CE1-CB 4.44Å; F9-L356 HydrophobicContact CE1-CD2 4.08Å; F9-L356 HydrophobicContact CE2-CB 4.23Å; F9-L356 HydrophobicContact CE2-CD2 4.39Å; F9-L356 HydrophobicContact CZ-CB 3.73Å; F9-L356 HydrophobicContact CZ-CD2 4Å; F9-L356 HydrophobicContact CZ-CG 4.41Å; I277-L356 HydrophobicContact CD1-CB 4.19Å; I277-L356 HydrophobicContact CD1-CD2 3.87Å; I277-L356 HydrophobicContact CD1-CG 3.93Å; I277-L356 HydrophobicContact CG1-CD2 4.46Å; F319-L356 HydrophobicContact CZ-CD1 4.24Å; M328-L356 HydrophobicContact SD-CB 4.04Å; M328-L356 HydrophobicContact SD-CD1 4.07Å; L331-L356 HydrophobicContact CD1-CD1 3.92Å; L331-L356 HydrophobicContact CD2-CD1 4.26Å; L331-L356 HydrophobicContact CD2-CD2 4.03Å; A342-L356 HydrophobicContact CB-CD2 3.54Å; D352-L356 PolarHBondContact O-N 3.19Å; A353-L356 PolarHBondContact O-N 3.34Å; A354-L356 VanDerWaalsContact C-N 3.31Å; A354-L356 PolarHBondContact O-N 2.98Å; L356-D358 PolarHBondContact O-N 2.88Å; L356-Y359 HydrophobicContact CD1-CD1 4.48Å; L356-Y359 PolarHBondContact O-N 3.33Å; L356-M360 HydrophobicContact CD1-CG 4.26Å; L356-M360 HydrophobicContact CD1-SD 4.39Å; L356-M360 HydrophobicContact CG-CG 4.43Å; L356-M360 HydrophobicContact CG-SD 4.07Å; L356-M360 VanDerWaalsContact O-CG 3.32Å; L356-M360 WeakPolarHBondContact O-CG 3.28Å; L356-M360 PolarHBondContact O-N 2.98Å |
| 357 | A | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.008 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.7 | -46.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | M276 I277 I280 A353 A354 Y359 M360 R361 | M276-A357 HydrophobicContact CB-CB 4.36Å; I277-A357 HydrophobicContact CD1-CB 4.09Å; I280-A357 HydrophobicContact CD1-CB 3.56Å; I280-A357 VanDerWaalsContact CD1-O 3.27Å; I280-A357 WeakPolarHBondContact CD1-O 3.23Å; A353-A357 WeakPolarHBondContact O-CB 3.07Å; A353-A357 PolarHBondContact O-N 3.08Å; A354-A357 WeakPolarHBondContact O-CB 3.49Å; A354-A357 PolarHBondContact O-N 3.48Å; A354-A357 VanDerWaalsContact O-N 3.12Å; A357-Y359 VanDerWaalsContact C-N 3.33Å; A357-Y359 PolarHBondContact O-N 2.87Å; A357-M360 PolarHBondContact O-N 3.22Å; A357-R361 WeakPolarHBondContact O-CG 3.36Å; A357-R361 PolarHBondContact O-N 3.29Å |
| 358 | D | 98.8 | Very high | 97.2 | Very high | 85 Ų | 85 | 54.6 Ų | 54.6 | 46% | 0.455 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65 | -38 | 177.6 | -71.5 | -21.3 | 0 | 0 | 0 | 112.3 | A354 L356 R361 S362 | A354-D358 PolarHBondContact O-N 2.83Å; L356-D358 PolarHBondContact O-N 2.88Å; D358-R361 PolarHBondContact O-N 2.78Å; D358-R361 IonicContact OD1-CZ 3.98Å; D358-R361 IonicContact OD1-NH1 2.8Å; D358-R361 PolarHBondContact OD1-NH1 3.37Å; D358-S362 WeakPolarHBondContact O-CB 3.29Å; D358-S362 PolarHBondContact O-N 3.37Å; D358-S362 PolarHBondContact O-OG 3.02Å |
| 359 | Y | 98.8 | Very high | 97.1 | Very high | 7 Ų | 7 | 57.1 Ų | 57.1 | 3% | 0.027 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.3 | -44.1 | 172.4 | 175.1 | -124.4 | 0 | 0 | 0 | 112.1 | F319 G322 A323 R326 M328 A355 L356 A357 R361 S362 F363 | F319-Y359 WeakPolarHBondContact CA-OH 3.42Å; F319-Y359 HydrophobicContact CD1-CE1 4.22Å; F319-Y359 AromaticContact CD2-CE1 3.74Å; F319-Y359 HydrophobicContact CD2-CE1 3.74Å; F319-Y359 HydrophobicContact CE1-CE1 4.01Å; F319-Y359 AromaticContact CE2-CD1 3.92Å; F319-Y359 HydrophobicContact CE2-CD1 3.92Å; F319-Y359 AromaticContact CE2-CE1 3.5Å; F319-Y359 HydrophobicContact CE2-CE1 3.5Å; F319-Y359 HydrophobicContact CG-CE1 4.1Å; F319-Y359 AromaticContact CZ-CD1 3.88Å; F319-Y359 HydrophobicContact CZ-CD1 3.88Å; F319-Y359 AromaticContact CZ-CE1 3.65Å; F319-Y359 HydrophobicContact CZ-CE1 3.65Å; F319-Y359 PolarHBondContact O-OH 2.9Å; G322-Y359 WeakPolarHBondContact CA-OH 3.21Å; A323-Y359 HydrophobicContact CB-CD1 4.22Å; A323-Y359 HydrophobicContact CB-CE1 3.73Å; A323-Y359 PolarHBondContact N-OH 3.48Å; R326-Y359 VanDerWaalsContact CD-CD2 3.48Å; M328-Y359 HydrophobicContact CE-CD1 3.67Å; M328-Y359 HydrophobicContact CE-CG 3.72Å; A355-Y359 WeakPolarHBondContact O-CB 3.38Å; A355-Y359 PolarHBondContact O-N 2.78Å; A355-Y359 VanDerWaalsContact O-N 3.12Å; L356-Y359 HydrophobicContact CD1-CD1 4.48Å; L356-Y359 PolarHBondContact O-N 3.33Å; A357-Y359 VanDerWaalsContact C-N 3.33Å; A357-Y359 PolarHBondContact O-N 2.87Å; Y359-R361 VanDerWaalsContact C-N 3.35Å; Y359-R361 PolarHBondContact O-N 3.14Å; Y359-S362 PolarHBondContact O-N 2.99Å; Y359-F363 HydrophobicContact CE2-CB 4.07Å; Y359-F363 HydrophobicContact CE2-CD2 4.15Å; Y359-F363 AromaticContact CZ-CD2 3.89Å; Y359-F363 VanDerWaalsContact O-CB 3.31Å; Y359-F363 WeakPolarHBondContact O-CB 3.27Å; Y359-F363 PolarHBondContact O-N 3.18Å; Y359-F363 VanDerWaalsContact OH-CD2 3.27Å; Y359-F363 WeakPolarHBondContact OH-CD2 3.34Å |
| 360 | M | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60 | -43.7 | 177 | -72.2 | 173.8 | 67.5 | 0 | 0 | 111.7 | I277 I280 I281 Y288 F304 F319 L356 A357 S362 F363 L364 | I277-M360 HydrophobicContact CD1-SD 4.16Å; I277-M360 HydrophobicContact CG2-CE 4.07Å; I277-M360 HydrophobicContact CG2-SD 3.89Å; I280-M360 HydrophobicContact CB-CE 4.4Å; I280-M360 HydrophobicContact CD1-CB 4.29Å; I280-M360 HydrophobicContact CG2-CB 4.08Å; I280-M360 HydrophobicContact CG2-CE 4.04Å; I281-M360 HydrophobicContact CG1-CE 4.01Å; Y288-M360 HydrophobicContact CD1-CE 4.41Å; Y288-M360 HydrophobicContact CD2-CE 4.06Å; Y288-M360 HydrophobicContact CE2-CB 4Å; Y288-M360 HydrophobicContact CE2-CE 4.21Å; Y288-M360 WeakPolarHBondContact CE2-O 3.23Å; Y288-M360 HydrophobicContact CG-CE 4.17Å; Y288-M360 WeakPolarHBondContact OH-CA 3.3Å; Y288-M360 PolarHBondContact OH-O 3.47Å; F304-M360 HydrophobicContact CE2-CE 4.29Å; F304-M360 HydrophobicContact CZ-CE 4.34Å; F304-M360 HydrophobicContact CZ-SD 4.33Å; F319-M360 HydrophobicContact CE2-CG 3.96Å; F319-M360 HydrophobicContact CZ-CG 3.86Å; L356-M360 HydrophobicContact CD1-CG 4.26Å; L356-M360 HydrophobicContact CD1-SD 4.39Å; L356-M360 HydrophobicContact CG-CG 4.43Å; L356-M360 HydrophobicContact CG-SD 4.07Å; L356-M360 VanDerWaalsContact O-CG 3.32Å; L356-M360 WeakPolarHBondContact O-CG 3.28Å; L356-M360 PolarHBondContact O-N 2.98Å; A357-M360 PolarHBondContact O-N 3.22Å; M360-S362 PolarHBondContact O-N 2.84Å; M360-F363 PolarHBondContact O-N 3.1Å; M360-L364 VanDerWaalsContact O-CB 3.29Å; M360-L364 WeakPolarHBondContact O-CB 3.46Å; M360-L364 PolarHBondContact O-N 3.14Å |
| 361 | R | 98.8 | Very high | 97 | Very high | 132 Ų | 132 | 57.8 Ų | 57.8 | 50% | 0.498 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.7 | -43.9 | 175.5 | -68 | 177.3 | -168.2 | 134.8 | -2.5 | 112.3 | I280 A357 D358 Y359 K365 | I280-R361 HydrophobicContact CD1-CG 3.88Å; I280-R361 HydrophobicContact CG1-CG 4.2Å; A357-R361 WeakPolarHBondContact O-CG 3.36Å; A357-R361 PolarHBondContact O-N 3.29Å; D358-R361 PolarHBondContact O-N 2.78Å; D358-R361 IonicContact OD1-CZ 3.98Å; D358-R361 IonicContact OD1-NH1 2.8Å; D358-R361 PolarHBondContact OD1-NH1 3.37Å; Y359-R361 VanDerWaalsContact C-N 3.35Å; Y359-R361 PolarHBondContact O-N 3.14Å; R361-K365 PolarHBondContact O-N 2.83Å; R361-K365 VanDerWaalsContact O-N 3.14Å |
| 362 | S | 98.5 | Very high | 96.9 | Very high | 54 Ų | 54 | 53.3 Ų | 53.3 | 38% | 0.378 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66 | -46.1 | 179.9 | -56.4 | 0 | 0 | 0 | 0 | 111.5 | D358 Y359 M360 L364 K365 E366 | D358-S362 WeakPolarHBondContact O-CB 3.29Å; D358-S362 PolarHBondContact O-N 3.37Å; D358-S362 PolarHBondContact O-OG 3.02Å; Y359-S362 PolarHBondContact O-N 2.99Å; M360-S362 PolarHBondContact O-N 2.84Å; S362-L364 VanDerWaalsContact C-N 3.34Å; S362-L364 PolarHBondContact O-N 3.2Å; S362-K365 PolarHBondContact O-N 2.97Å; S362-E366 WeakPolarHBondContact O-CG 3.27Å; S362-E366 PolarHBondContact O-N 3.44Å |
| 363 | F | 98.7 | Very high | 96.8 | Very high | 4 Ų | 4 | 56.3 Ų | 56.3 | 2% | 0.018 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.4 | -40 | 179.5 | -173.7 | -85.6 | 0 | 0 | 0 | 112 | F287 Y288 V306 L315 K318 F319 Y359 M360 E366 H367 | F287-F363 AromaticContact CE1-CD1 3.8Å; F287-F363 HydrophobicContact CE1-CD1 3.8Å; F287-F363 AromaticContact CE1-CE1 3.96Å; F287-F363 HydrophobicContact CE1-CE1 3.96Å; F287-F363 AromaticContact CZ-CD1 3.83Å; F287-F363 HydrophobicContact CZ-CD1 3.83Å; F287-F363 AromaticContact CZ-CE1 3.69Å; F287-F363 HydrophobicContact CZ-CE1 3.69Å; Y288-F363 WeakPolarHBondContact OH-CD1 3.24Å; V306-F363 HydrophobicContact CG1-CD1 4.48Å; V306-F363 HydrophobicContact CG1-CE1 3.67Å; V306-F363 HydrophobicContact CG1-CZ 4.46Å; L315-F363 WeakPolarHBondContact O-CZ 3.45Å; K318-F363 HydrophobicContact CB-CE2 4.06Å; K318-F363 HydrophobicContact CB-CZ 4.13Å; F319-F363 HydrophobicContact CB-CE1 4.21Å; F319-F363 HydrophobicContact CB-CE2 4Å; F319-F363 HydrophobicContact CB-CZ 3.81Å; F319-F363 HydrophobicContact CD2-CB 4.32Å; F319-F363 AromaticContact CD2-CD1 3.76Å; F319-F363 HydrophobicContact CD2-CD1 3.76Å; F319-F363 HydrophobicContact CD2-CD2 4.09Å; F319-F363 HydrophobicContact CD2-CE1 4.03Å; F319-F363 HydrophobicContact CD2-CE2 4.34Å; F319-F363 AromaticContact CD2-CG 3.78Å; F319-F363 HydrophobicContact CD2-CG 3.78Å; F319-F363 HydrophobicContact CD2-CZ 4.3Å; F319-F363 HydrophobicContact CE2-CB 4.49Å; F319-F363 HydrophobicContact CE2-CG 4.41Å; Y359-F363 HydrophobicContact CE2-CB 4.07Å; Y359-F363 HydrophobicContact CE2-CD2 4.15Å; Y359-F363 AromaticContact CZ-CD2 3.89Å; Y359-F363 VanDerWaalsContact O-CB 3.31Å; Y359-F363 WeakPolarHBondContact O-CB 3.27Å; Y359-F363 PolarHBondContact O-N 3.18Å; Y359-F363 VanDerWaalsContact OH-CD2 3.27Å; Y359-F363 WeakPolarHBondContact OH-CD2 3.34Å; M360-F363 PolarHBondContact O-N 3.1Å; F363-E366 PolarHBondContact O-N 3.25Å; F363-H367 AromaticContact CD2-CE1 3.82Å; F363-H367 AromaticContact CD2-ND1 3.91Å; F363-H367 AromaticContact CE1-ND1 3.96Å; F363-H367 AromaticContact CE2-CE1 3.54Å; F363-H367 AromaticContact CE2-ND1 3.85Å; F363-H367 AromaticContact CZ-CE1 3.87Å; F363-H367 AromaticContact CZ-ND1 3.89Å; F363-H367 PolarHBondContact O-N 3.29Å; F363-H367 PolarHBondContact O-ND1 3.34Å |
| 364 | L | 98.3 | Very high | 96.7 | Very high | 20 Ų | 20 | 60 Ų | 60 | 11% | 0.105 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -56.6 | -51.5 | 172.6 | -178.9 | 67.2 | 0 | 0 | 0 | 111.2 | F287 Y288 M360 S362 E366 H367 Q368 | F287-L364 HydrophobicContact CB-CD1 3.35Å; F287-L364 HydrophobicContact CD1-CD1 3.2Å; F287-L364 HydrophobicContact CD1-CG 4.47Å; F287-L364 HydrophobicContact CD2-CD1 3.94Å; F287-L364 HydrophobicContact CE1-CD1 3.87Å; F287-L364 HydrophobicContact CG-CD1 3.21Å; F287-L364 HydrophobicContact CZ-CD1 4.47Å; Y288-L364 HydrophobicContact CE2-CB 3.99Å; Y288-L364 HydrophobicContact CE2-CD1 4.31Å; M360-L364 VanDerWaalsContact O-CB 3.29Å; M360-L364 WeakPolarHBondContact O-CB 3.46Å; M360-L364 PolarHBondContact O-N 3.14Å; S362-L364 VanDerWaalsContact C-N 3.34Å; S362-L364 PolarHBondContact O-N 3.2Å; L364-E366 VanDerWaalsContact C-N 3.28Å; L364-E366 PolarHBondContact O-N 2.76Å; L364-H367 PolarHBondContact O-N 2.71Å; L364-Q368 VanDerWaalsContact CD1-CD 3.47Å; L364-Q368 HydrophobicContact CD1-CG 3.73Å; L364-Q368 HydrophobicContact CG-CG 4.13Å; L364-Q368 WeakPolarHBondContact O-CB 3.5Å; L364-Q368 WeakPolarHBondContact O-CG 3.33Å; L364-Q368 PolarHBondContact O-N 2.67Å |
| 365 | K | 97.4 | Very high | 96.6 | Very high | 180 Ų | 180 | 62.1 Ų | 62.1 | 78% | 0.783 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -62.1 | -33.7 | -179.3 | -174.1 | -179.4 | 178.5 | -177 | 0 | 113.2 | R361 S362 H367 | R361-K365 PolarHBondContact O-N 2.83Å; R361-K365 VanDerWaalsContact O-N 3.14Å; S362-K365 PolarHBondContact O-N 2.97Å; K365-H367 VanDerWaalsContact C-N 3.33Å |
| 366 | E | 97.3 | Very high | 96.4 | Very high | 125 Ų | 125 | 64 Ų | 64 | 58% | 0.584 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -74.7 | -20.6 | 179.3 | -73.6 | 170.5 | -170 | 0 | 0 | 113.6 | S362 F363 L364 | S362-E366 WeakPolarHBondContact O-CG 3.27Å; S362-E366 PolarHBondContact O-N 3.44Å; F363-E366 PolarHBondContact O-N 3.25Å; L364-E366 VanDerWaalsContact C-N 3.28Å; L364-E366 PolarHBondContact O-N 2.76Å |
| 367 | H | 94.5 | Very high | 96.2 | Very high | 59 Ų | 59 | 69.3 Ų | 69.3 | 27% | 0.273 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -128.1 | 12.8 | -170.1 | -61.6 | 84.6 | 0 | 0 | 0 | 113.7 | F287 L315 F363 L364 K365 | F287-H367 HydrophobicContact CE2-CB 3.93Å; F287-H367 HydrophobicContact CZ-CB 3.87Å; L315-H367 HydrophobicContact CD2-CB 4.24Å; F363-H367 AromaticContact CD2-CE1 3.82Å; F363-H367 AromaticContact CD2-ND1 3.91Å; F363-H367 AromaticContact CE1-ND1 3.96Å; F363-H367 AromaticContact CE2-CE1 3.54Å; F363-H367 AromaticContact CE2-ND1 3.85Å; F363-H367 AromaticContact CZ-CE1 3.87Å; F363-H367 AromaticContact CZ-ND1 3.89Å; F363-H367 PolarHBondContact O-N 3.29Å; F363-H367 PolarHBondContact O-ND1 3.34Å; L364-H367 PolarHBondContact O-N 2.71Å; K365-H367 VanDerWaalsContact C-N 3.33Å |
| 368 | Q | 76.1 | Confident | 96 | Very high | 165 Ų | 165 | 75.5 Ų | 75.5 | 77% | 0.771 | 35% | 0.354 | S | S | * | . | trans | -94.4 | 0 | 171.8 | -92.4 | -171.9 | -27.4 | 0 | 0 | 112.4 | F287 L364 | F287-Q368 HydrophobicContact CD2-CG 4.38Å; L364-Q368 VanDerWaalsContact CD1-CD 3.47Å; L364-Q368 HydrophobicContact CD1-CG 3.73Å; L364-Q368 HydrophobicContact CG-CG 4.13Å; L364-Q368 WeakPolarHBondContact O-CB 3.5Å; L364-Q368 WeakPolarHBondContact O-CG 3.33Å; L364-Q368 PolarHBondContact O-N 2.67Å |
Retrieved 368 of 368 residues in 88.9 ms
(Link to these results)