| 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 | 46.7 | Very low | 75.5 | Confident | 193 Ų | 193 | 69.7 Ų | 69.7 | 95% | 0.951 | 35% | 0.348 | S | S | * | . | 0 | 108.5 | 0 | -146.7 | -177.8 | -67 | 0 | 0 | 103.6 | K285 | M1-K285 HydrophobicContact SD-CB 4.3Š| |||
| 2 | E | 54.4 | Low | 76.8 | Confident | 124 Ų | 124 | 69.6 Ų | 69.6 | 58% | 0.579 | 35% | 0.345 | S | S | * | . | trans | -57.5 | 144.3 | 178.8 | -74.2 | 176.4 | 176 | 0 | 0 | 108.7 | Q7 | E2-Q7 HydrophobicContact CB-CG 4.38Š| ||
| 3 | K | 74.3 | Confident | 77.9 | Confident | 130 Ų | 130 | 65.5 Ų | 65.5 | 57% | 0.565 | 33% | 0.325 | S | S | * | . | trans | -69.7 | 142.2 | 176.1 | -70.9 | -177.5 | 177 | -176.9 | 0 | 107.7 | E5 E6 Q7 | K3-E5 HydrophobicContact CB-CB 4.24Å; K3-E5 HydrophobicContact CB-CG 4.46Å; K3-E5 WeakPolarHBondContact CD-OE2 3.5Å; K3-E5 PolarHBondContact O-N 2.92Å; K3-E6 HydrophobicContact CB-CG 4.48Å; K3-E6 PolarHBondContact N-OE2 3.05Å; K3-E6 WeakPolarHBondContact O-CA 3.15Å; K3-E6 WeakPolarHBondContact O-CB 3.35Å; K3-E6 PolarHBondContact O-N 2.81Å; K3-Q7 PolarHBondContact O-N 2.76Å | ||
| 4 | I | 74.6 | Confident | 79 | Confident | 5 Ų | 5 | 64.4 Ų | 64.4 | 3% | 0.026 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -53.8 | -27.3 | 175 | -169.3 | 174.3 | 0 | 0 | 0 | 112.4 | E6 Q7 F8 L281 H283 H290 W329 | I4-E6 PolarHBondContact O-N 2.89Å; I4-Q7 PolarHBondContact O-N 3.49Å; I4-F8 VanDerWaalsContact O-CB 3.31Å; I4-F8 WeakPolarHBondContact O-CB 3.48Å; I4-F8 PolarHBondContact O-N 3.46Å; I4-L281 HydrophobicContact CD1-CD2 3.8Å; I4-H283 HydrophobicContact CD1-CB 4.09Å; I4-H290 WeakPolarHBondContact CG2-CE1 3.12Å; I4-H290 VanDerWaalsContact CG2-NE2 3.29Å; I4-H290 WeakPolarHBondContact CG2-NE2 2.84Å; I4-W329 HydrophobicContact CD1-CZ2 4.43Å; I4-W329 HydrophobicContact CG1-CZ2 4.23Å |
| 5 | E | 78.8 | Confident | 79.8 | Confident | 55 Ų | 55 | 66.1 Ų | 66.1 | 26% | 0.257 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -54.8 | -46.1 | 170 | -56.3 | 176.1 | 153.4 | 0 | 0 | 112.7 | K3 A9 V313 | K3-E5 HydrophobicContact CB-CB 4.24Å; K3-E5 HydrophobicContact CB-CG 4.46Å; K3-E5 WeakPolarHBondContact CD-OE2 3.5Å; K3-E5 PolarHBondContact O-N 2.92Å; E5-A9 WeakPolarHBondContact O-CB 3.04Å; E5-A9 PolarHBondContact O-N 3.19Å; E5-A9 VanDerWaalsContact O-N 3.07Å; E5-V313 HydrophobicContact CB-CG1 3.56Å; E5-V313 HydrophobicContact CG-CG1 3.68Å; E5-V313 HydrophobicContact CG-CG2 4.31Å |
| 6 | E | 80 | Confident | 80.5 | Confident | 97 Ų | 97 | 63.7 Ų | 63.7 | 45% | 0.453 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -71.8 | -41.2 | 178.2 | -63.7 | 169.9 | 160.5 | 0 | 0 | 110.7 | K3 I4 F8 A9 N10 | K3-E6 HydrophobicContact CB-CG 4.48Å; K3-E6 PolarHBondContact N-OE2 3.05Å; K3-E6 WeakPolarHBondContact O-CA 3.15Å; K3-E6 WeakPolarHBondContact O-CB 3.35Å; K3-E6 PolarHBondContact O-N 2.81Å; I4-E6 PolarHBondContact O-N 2.89Å; E6-F8 VanDerWaalsContact C-N 3.35Å; E6-F8 PolarHBondContact O-N 2.94Å; E6-A9 PolarHBondContact O-N 3Å; E6-N10 VanDerWaalsContact O-CG 3.3Å; E6-N10 PolarHBondContact O-N 3.11Å; E6-N10 PolarHBondContact O-ND2 3.36Å |
| 7 | Q | 80.1 | Confident | 81.1 | Confident | 26 Ų | 26 | 60.5 Ų | 60.5 | 12% | 0.121 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60 | -46.9 | 176.8 | -64.4 | 176.7 | -43.5 | 0 | 0 | 110.9 | E2 K3 I4 N10 W329 D334 | E2-Q7 HydrophobicContact CB-CG 4.38Å; K3-Q7 PolarHBondContact O-N 2.76Å; I4-Q7 PolarHBondContact O-N 3.49Å; Q7-N10 PolarHBondContact O-N 3Å; Q7-W329 HydrophobicContact CB-CH2 4.49Å; Q7-D334 PolarHBondContact NE2-OD1 3.36Å; Q7-D334 PolarHBondContact NE2-OD2 3.16Å |
| 8 | F | 81.4 | Confident | 81.1 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.6 | -37.9 | -179.5 | -152.3 | -85.1 | 0 | 0 | 0 | 112 | I4 E6 N10 L11 I292 L302 T314 L316 W329 L336 | I4-F8 VanDerWaalsContact O-CB 3.31Å; I4-F8 WeakPolarHBondContact O-CB 3.48Å; I4-F8 PolarHBondContact O-N 3.46Å; E6-F8 VanDerWaalsContact C-N 3.35Å; E6-F8 PolarHBondContact O-N 2.94Å; F8-N10 PolarHBondContact O-N 3.08Å; F8-L11 HydrophobicContact CB-CD1 4.33Å; F8-L11 HydrophobicContact CD1-CD1 4.14Å; F8-L11 HydrophobicContact CD2-CD1 3.78Å; F8-L11 HydrophobicContact CE1-CD1 4.47Å; F8-L11 HydrophobicContact CE2-CD1 4.12Å; F8-L11 HydrophobicContact CG-CD1 3.8Å; F8-L11 HydrophobicContact CZ-CD1 4.46Å; F8-L11 WeakPolarHBondContact O-CB 3.44Å; F8-L11 WeakPolarHBondContact O-CG 3.23Å; F8-L11 PolarHBondContact O-N 2.88Å; F8-I292 HydrophobicContact CE2-CD1 4.15Å; F8-I292 HydrophobicContact CZ-CD1 4.15Å; F8-L302 HydrophobicContact CB-CD2 3.64Å; F8-L302 HydrophobicContact CD1-CB 3.89Å; F8-L302 HydrophobicContact CD1-CD2 4.05Å; F8-L302 HydrophobicContact CD1-CG 4.48Å; F8-L302 HydrophobicContact CD2-CD1 4.34Å; F8-L302 HydrophobicContact CD2-CD2 4.07Å; F8-L302 HydrophobicContact CE1-CB 3.87Å; F8-L302 HydrophobicContact CE2-CD1 4.29Å; F8-L302 HydrophobicContact CG-CB 4.33Å; F8-L302 HydrophobicContact CG-CD2 3.68Å; F8-L302 HydrophobicContact CG-CG 4.43Å; F8-L302 HydrophobicContact CZ-CB 4.34Å; F8-T314 HydrophobicContact CB-CG2 4.3Å; F8-T314 HydrophobicContact CD1-CG2 3.71Å; F8-T314 HydrophobicContact CG-CG2 4.45Å; F8-L316 HydrophobicContact CD1-CD1 4.16Å; F8-L316 HydrophobicContact CD1-CD2 4.24Å; F8-L316 HydrophobicContact CD1-CG 4.08Å; F8-L316 HydrophobicContact CE1-CD1 3.48Å; F8-L316 VanDerWaalsContact CE1-CD1 3.48Å; F8-L316 HydrophobicContact CE1-CD2 4.25Å; F8-L316 HydrophobicContact CE1-CG 3.59Å; F8-L316 HydrophobicContact CZ-CD1 3.82Å; F8-L316 HydrophobicContact CZ-CG 4.41Å; F8-W329 HydrophobicContact CD2-CE3 4.39Å; F8-W329 AromaticContact CD2-CZ3 3.99Å; F8-W329 HydrophobicContact CD2-CZ3 3.99Å; F8-W329 HydrophobicContact CE2-CE3 4.46Å; F8-W329 HydrophobicContact CE2-CZ3 4.41Å; F8-L336 HydrophobicContact CE2-CD1 4.43Å; F8-L336 HydrophobicContact CE2-CD2 3.87Å; F8-L336 HydrophobicContact CZ-CD2 3.71Å |
| 9 | A | 83.3 | Confident | 80.3 | Confident | 49 Ų | 49 | 61.7 Ų | 61.7 | 41% | 0.405 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.4 | -25 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | E5 E6 T314 | E5-A9 WeakPolarHBondContact O-CB 3.04Å; E5-A9 PolarHBondContact O-N 3.19Å; E5-A9 VanDerWaalsContact O-N 3.07Å; E6-A9 PolarHBondContact O-N 3Å; A9-T314 HydrophobicContact CB-CG2 4.32Å |
| 10 | N | 86.2 | Confident | 79.6 | Confident | 83 Ų | 83 | 61 Ų | 61 | 44% | 0.444 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 6.5 | 179.8 | -69.4 | -35 | 0 | 0 | 0 | 113.8 | E6 Q7 F8 H12 P350 G351 | E6-N10 VanDerWaalsContact O-CG 3.3Å; E6-N10 PolarHBondContact O-N 3.11Å; E6-N10 PolarHBondContact O-ND2 3.36Å; Q7-N10 PolarHBondContact O-N 3Å; F8-N10 PolarHBondContact O-N 3.08Å; N10-H12 PolarHBondContact O-CD2 3.23Å; N10-P350 WeakPolarHBondContact O-CA 3.28Å; N10-G351 PolarHBondContact O-N 3.38Å |
| 11 | L | 90.5 | Very high | 78.9 | Confident | 5 Ų | 5 | 68.5 Ų | 68.5 | 3% | 0.026 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 129.4 | 179.3 | -69.4 | 173.4 | 0 | 0 | 0 | 111.6 | F8 L316 W329 D334 L336 W348 | F8-L11 HydrophobicContact CB-CD1 4.33Å; F8-L11 HydrophobicContact CD1-CD1 4.14Å; F8-L11 HydrophobicContact CD2-CD1 3.78Å; F8-L11 HydrophobicContact CE1-CD1 4.47Å; F8-L11 HydrophobicContact CE2-CD1 4.12Å; F8-L11 HydrophobicContact CG-CD1 3.8Å; F8-L11 HydrophobicContact CZ-CD1 4.46Å; F8-L11 WeakPolarHBondContact O-CB 3.44Å; F8-L11 WeakPolarHBondContact O-CG 3.23Å; F8-L11 PolarHBondContact O-N 2.88Å; L11-L316 HydrophobicContact CB-CD1 4.47Å; L11-L316 HydrophobicContact CB-CD2 3.91Å; L11-L316 HydrophobicContact CD1-CD1 3.99Å; L11-L316 HydrophobicContact CD1-CD2 4.49Å; L11-W329 HydrophobicContact CD1-CZ3 3.89Å; L11-W329 HydrophobicContact CD2-CZ3 4.34Å; L11-D334 WeakPolarHBondContact CD2-O 3.47Å; L11-L336 HydrophobicContact CD1-CB 4.06Å; L11-L336 HydrophobicContact CD1-CD2 4.24Å; L11-W348 HydrophobicContact CB-CB 4.08Å; L11-W348 HydrophobicContact CD1-CB 4.48Å; L11-W348 HydrophobicContact CD2-CB 4.3Å |
| 12 | H | 91.1 | Very high | 80.4 | Confident | 68 Ų | 68 | 66.6 Ų | 66.6 | 32% | 0.315 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 152.3 | 171.4 | -58.1 | -69.1 | 0 | 0 | 0 | 110.9 | N10 V14 W348 K349 A352 | N10-H12 PolarHBondContact O-CD2 3.23Å; H12-V14 PolarHBondContact O-N 2.98Å; H12-W348 CarbonylContact O-C 3.49Å; H12-W348 VanDerWaalsContact O-CA 3.3Å; H12-W348 WeakPolarHBondContact O-CA 3.47Å; H12-K349 PolarHBondContact N-O 3.01Å; H12-K349 PolarHBondContact O-N 3.21Å; H12-A352 HydrophobicContact CB-CB 4.09Å; H12-A352 VanDerWaalsContact CB-O 3.23Å; H12-A352 WeakPolarHBondContact CB-O 3.33Å; H12-A352 PolarHBondContact CD2-O 2.78Å; H12-A352 VanDerWaalsContact CG-O 3.23Å |
| 13 | I | 91.9 | Very high | 81.8 | Confident | 16 Ų | 16 | 64 Ų | 64 | 8% | 0.082 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 115.1 | -179.7 | -51.5 | 166.9 | 0 | 0 | 0 | 109.1 | L346 W348 F357 | I13-L346 HydrophobicContact CD1-CD1 4.43Å; I13-L346 HydrophobicContact CG2-CD2 4.44Å; I13-W348 HydrophobicContact CD1-CE3 4.47Å; I13-W348 HydrophobicContact CD1-CH2 3.67Å; I13-W348 HydrophobicContact CD1-CZ2 4.15Å; I13-W348 HydrophobicContact CD1-CZ3 3.85Å; I13-W348 HydrophobicContact CG1-CD2 3.86Å; I13-W348 HydrophobicContact CG1-CE3 3.47Å; I13-W348 VanDerWaalsContact CG1-CE3 3.47Å; I13-W348 HydrophobicContact CG1-CH2 3.55Å; I13-W348 HydrophobicContact CG1-CZ2 3.93Å; I13-W348 HydrophobicContact CG1-CZ3 3.31Å; I13-F357 HydrophobicContact CB-CD2 4.45Å; I13-F357 HydrophobicContact CB-CE2 3.89Å; I13-F357 HydrophobicContact CD1-CD2 4.5Å; I13-F357 HydrophobicContact CG2-CD2 4.07Å; I13-F357 HydrophobicContact CG2-CE2 3.38Å; I13-F357 HydrophobicContact CG2-CZ 3.97Å |
| 14 | V | 92.3 | Very high | 82.6 | Confident | 51 Ų | 51 | 58.3 Ų | 58.3 | 31% | 0.309 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | -31.6 | 173.7 | -80.3 | 0 | 0 | 0 | 0 | 112.2 | H12 L347 K349 A352 | H12-V14 PolarHBondContact O-N 2.98Å; V14-L347 HydrophobicContact CG2-CB 4.04Å; V14-L347 HydrophobicContact CG2-CD2 3.75Å; V14-L347 HydrophobicContact CG2-CG 3.63Å; V14-L347 WeakPolarHBondContact CG2-O 3.49Å; V14-L347 PolarHBondContact N-O 3.1Å; V14-K349 HydrophobicContact CG1-CB 4Å; V14-K349 HydrophobicContact CG2-CB 4.04Å; V14-K349 HydrophobicContact CG2-CD 4.25Å; V14-K349 HydrophobicContact CG2-CG 3.8Å; V14-A352 HydrophobicContact CB-CB 4.48Å; V14-A352 HydrophobicContact CG1-CB 3.11Å |
| 15 | K | 91.3 | Very high | 83.6 | Confident | 90 Ų | 90 | 60.5 Ų | 60.5 | 39% | 0.391 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 144.2 | -173.7 | -162 | 63.3 | 172.1 | 176 | 0 | 111.3 | R59 L60 L347 | K15-R59 WeakPolarHBondContact CE-O 3.42Å; K15-L60 HydrophobicContact CB-CD1 3.86Å; K15-L60 HydrophobicContact CB-CG 4.09Å; K15-L60 HydrophobicContact CG-CB 3.94Å; K15-L60 HydrophobicContact CG-CD1 3.85Å; K15-L60 HydrophobicContact CG-CG 3.74Å; K15-L60 WeakPolarHBondContact O-CD1 3.38Å; K15-L347 HydrophobicContact CB-CB 4.18Å; K15-L347 HydrophobicContact CB-CD2 4.47Å; K15-L347 PolarHBondContact N-O 3.43Å; K15-L347 PolarHBondContact O-N 3.5Å |
| 16 | S | 91.7 | Very high | 84.4 | Confident | 27 Ų | 27 | 58 Ų | 58 | 19% | 0.189 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 147.1 | 165.7 | 59.9 | 0 | 0 | 0 | 0 | 109.4 | L345 F357 | S16-L345 CarbonylContact C-O 3.56Å; S16-L345 WeakPolarHBondContact CA-O 3.24Å; S16-F357 WeakPolarHBondContact OG-CD1 3.19Å; S16-F357 WeakPolarHBondContact OG-CE1 3.43Å |
| 17 | S | 90.1 | Very high | 85.1 | Confident | 9 Ų | 9 | 56.7 Ų | 56.7 | 6% | 0.063 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 145.8 | 170.3 | 58.5 | 0 | 0 | 0 | 0 | 110.2 | G19 L345 | S17-G19 PolarHBondContact O-N 3.34Å; S17-L345 PolarHBondContact N-O 3.01Å; S17-L345 PolarHBondContact OG-N 2.81Å |
| 18 | S | 81.1 | Confident | 85.9 | Confident | 88 Ų | 88 | 55.9 Ų | 55.9 | 62% | 0.615 | 31% | 0.313 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 134.6 | 172.1 | 54 | 0 | 0 | 0 | 0 | 109.9 | T20 | S18-T20 PolarHBondContact O-N 2.78Š|
| 19 | G | 66.4 | Low | 86.6 | Confident | 56 Ų | 56 | 56.1 Ų | 56.1 | 58% | 0.577 | 31% | 0.314 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 132.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | S17 | S17-G19 PolarHBondContact O-N 3.34Š|
| 20 | T | 65 | Low | 87.3 | Confident | 48 Ų | 48 | 54.9 Ų | 54.9 | 29% | 0.294 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -77.2 | 157.6 | 173.9 | 49.4 | 0 | 0 | 0 | 0 | 110.8 | S18 E22 | S18-T20 PolarHBondContact O-N 2.78Å; T20-E22 WeakPolarHBondContact CB-O 3.36Å; T20-E22 PolarHBondContact O-N 3.02Å; T20-E22 PolarHBondContact OG1-O 3.22Å |
| 21 | K | 65.4 | Low | 87.6 | Confident | 219 Ų | 219 | 51.7 Ų | 51.7 | 95% | 0.952 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -60.4 | -36.6 | 177.3 | -73.3 | -176.6 | 178.7 | 178.9 | 0 | 112.1 | ||
| 22 | E | 77.6 | Confident | 87.7 | Confident | 153 Ų | 153 | 52 Ų | 52 | 72% | 0.715 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -114.8 | 118.7 | 171 | -68.8 | -178.9 | -177.1 | 0 | 0 | 108 | T20 T24 | T20-E22 WeakPolarHBondContact CB-O 3.36Å; T20-E22 PolarHBondContact O-N 3.02Å; T20-E22 PolarHBondContact OG1-O 3.22Å; E22-T24 PolarHBondContact O-N 3.38Å |
| 23 | P | 84.8 | Confident | 87.3 | Confident | 70 Ų | 70 | 55 Ų | 55 | 46% | 0.455 | 30% | 0.299 | S | S | . | . | trans | -70.8 | 130.6 | 179.8 | 27.2 | -31.3 | 0 | 0 | 0 | 110.3 | A343 M363 | P23-A343 HydrophobicContact CB-CB 3.97Å; P23-M363 HydrophobicContact CB-CE 3.56Å; P23-M363 HydrophobicContact CB-SD 3.34Å; P23-M363 WeakPolarHBondContact CB-SD 3.43Å; P23-M363 HydrophobicContact CG-CE 4.15Å; P23-M363 HydrophobicContact CG-SD 3.2Å; P23-M363 WeakPolarHBondContact CG-SD 3.13Å | ||
| 24 | T | 91.9 | Very high | 86.5 | Confident | 9 Ų | 9 | 55.3 Ų | 55.3 | 6% | 0.055 | 30% | 0.301 | C | S | . | . | trans | -129.5 | 129.7 | -178.6 | 56 | 0 | 0 | 0 | 0 | 109.2 | E22 N49 R53 A343 | E22-T24 PolarHBondContact O-N 3.38Å; T24-N49 HydrophobicContact CG2-CB 3.96Å; T24-R53 PolarHBondContact OG1-NH1 2.82Å; T24-A343 WeakPolarHBondContact O-CA 3.42Å; T24-A343 WeakPolarHBondContact O-CB 3.32Å | ||
| 25 | Y | 94.6 | Very high | 85 | Confident | 52 Ų | 52 | 58.3 Ų | 58.3 | 20% | 0.204 | 32% | 0.319 | C | S | . | . | trans | -63.4 | 143.4 | 179.7 | -54 | -18.4 | 0 | 0 | 0 | 110.2 | C47 S48 E341 | Y25-C47 CarbonylContact O-C 3.6Å; Y25-C47 VanDerWaalsContact O-CA 3.3Å; Y25-C47 WeakPolarHBondContact O-CA 3.46Å; Y25-S48 PolarHBondContact N-OG 2.74Å; Y25-S48 PolarHBondContact O-N 3.06Å; Y25-E341 HydrophobicContact CD1-CB 4.05Å; Y25-E341 WeakPolarHBondContact CD1-O 3.43Å; Y25-E341 HydrophobicContact CD2-CB 4.33Å; Y25-E341 HydrophobicContact CD2-CG 4.13Å; Y25-E341 HydrophobicContact CE1-CB 4.23Å; Y25-E341 WeakPolarHBondContact CE1-O 3.19Å; Y25-E341 HydrophobicContact CE2-CB 4.47Å; Y25-E341 HydrophobicContact CE2-CG 4.47Å; Y25-E341 HydrophobicContact CG-CB 4.11Å; Y25-E341 HydrophobicContact CG-CG 4.22Å | ||
| 26 | L | 96 | Very high | 83.3 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 113.3 | 175.4 | -48.3 | -172.6 | 0 | 0 | 0 | 107.5 | V45 R325 G340 Q344 L345 | L26-V45 HydrophobicContact CB-CG1 3.82Å; L26-V45 HydrophobicContact CD1-CG1 4.08Å; L26-V45 HydrophobicContact CD2-CG1 3.79Å; L26-V45 HydrophobicContact CG-CG1 4.09Å; L26-R325 WeakPolarHBondContact O-CB 3.42Å; L26-G340 PolarHBondContact N-O 3.32Å; L26-Q344 VanDerWaalsContact CD1-O 3.24Å; L26-Q344 WeakPolarHBondContact CD1-O 3.49Å; L26-L345 HydrophobicContact CD1-CB 3.76Å; L26-L345 HydrophobicContact CD1-CD1 4.28Å |
| 27 | L | 95.4 | Very high | 81 | Confident | 70 Ų | 70 | 64.2 Ų | 64.2 | 37% | 0.366 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | -28.5 | -168.7 | -57.8 | -178.8 | 0 | 0 | 0 | 112.9 | L46 | L27-L46 HydrophobicContact CB-CD2 4.3Å; L27-L46 HydrophobicContact CB-CG 4.26Å; L27-L46 PolarHBondContact N-O 2.91Å |
| 28 | G | 95.9 | Very high | 79.1 | Confident | 10 Ų | 10 | 67.9 Ų | 67.9 | 10% | 0.103 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 142.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | V45 L46 | G28-V45 CarbonylContact O-C 3.58Å; G28-V45 WeakPolarHBondContact O-CA 3.46Å; G28-L46 PolarHBondContact O-N 2.76Å |
| 29 | I | 97.2 | Very high | 77.9 | Confident | 5 Ų | 5 | 66 Ų | 66 | 3% | 0.026 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 140 | 177.4 | -63 | 173.1 | 0 | 0 | 0 | 108.1 | A44 V45 R77 S326 C328 L337 L345 | I29-A44 WeakPolarHBondContact CA-O 3.31Å; I29-V45 HydrophobicContact CG1-CG2 4.32Å; I29-R77 PolarHBondContact O-NH1 3.29Å; I29-S326 PolarHBondContact N-OG 3.36Å; I29-C328 HydrophobicContact CG2-CB 3.93Å; I29-L337 HydrophobicContact CG2-CD2 3.78Å; I29-L337 HydrophobicContact CG2-CG 4.49Å; I29-L345 HydrophobicContact CD1-CD1 3.57Å; I29-L345 HydrophobicContact CG1-CD1 4.25Å |
| 30 | D | 96.3 | Very high | 77.7 | Confident | 23 Ų | 23 | 67.5 Ų | 67.5 | 12% | 0.123 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 159.4 | 159.3 | -162.9 | 20.5 | 0 | 0 | 0 | 110.5 | A43 A44 V76 R77 F78 | D30-A43 CarbonylContact O-C 3.56Å; D30-A43 WeakPolarHBondContact O-CA 3.36Å; D30-A44 PolarHBondContact N-O 3.16Å; D30-A44 PolarHBondContact O-N 3.48Å; D30-V76 WeakPolarHBondContact CB-O 3.38Å; D30-R77 VanDerWaalsContact OD2-CA 3.24Å; D30-R77 WeakPolarHBondContact OD2-CA 3.46Å; D30-F78 HydrophobicContact CB-CD2 4.18Å; D30-F78 WeakPolarHBondContact O-CE2 3.42Å; D30-F78 PolarHBondContact OD2-N 3.24Å |
| 31 | T | 94.1 | Very high | 78.8 | Confident | 15 Ų | 15 | 67.9 Ų | 67.9 | 9% | 0.092 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 143 | -179.6 | 64.5 | 0 | 0 | 0 | 0 | 111.7 | K33 A43 K57 C328 L337 | T31-K33 PolarHBondContact O-N 3.16Å; T31-A43 HydrophobicContact CG2-CB 4.08Å; T31-K57 HydrophobicContact CG2-CD 4.1Å; T31-C328 HydrophobicContact CG2-CB 4.13Å; T31-C328 PolarHBondContact OG1-SG 3.4Å; T31-C328 VanDerWaalsContact OG1-SG 3.36Å; T31-L337 HydrophobicContact CG2-CD2 4.33Å |
| 32 | S | 90.8 | Very high | 80.1 | Confident | 11 Ų | 11 | 57.5 Ų | 57.5 | 8% | 0.077 | 34% | 0.336 | C | S | . | . | trans | -64.9 | 134.8 | 178.5 | -179.5 | 0 | 0 | 0 | 0 | 109.9 | T34 L42 F78 D83 | S32-T34 PolarHBondContact OG-N 2.75Å; S32-T34 PolarHBondContact OG-OG1 2.77Å; S32-L42 PolarHBondContact N-O 2.91Å; S32-F78 VanDerWaalsContact N-CD2 3.32Å; S32-D83 PolarHBondContact OG-OD1 2.78Å | ||
| 33 | K | 83.9 | Confident | 80.9 | Confident | 133 Ų | 133 | 50.2 Ų | 50.2 | 58% | 0.578 | 30% | 0.302 | S | S | * | . | trans | -89.8 | -10.6 | 175.6 | -61.5 | 178.1 | -171.7 | 171.2 | 0 | 111.9 | T31 V35 N80 | T31-K33 PolarHBondContact O-N 3.16Å; K33-V35 PolarHBondContact O-N 3.45Å; K33-N80 PolarHBondContact NZ-OD1 3.48Å | ||
| 34 | T | 74.5 | Confident | 81.5 | Confident | 21 Ų | 21 | 46.9 Ų | 46.9 | 13% | 0.129 | 28% | 0.281 | C | S | . | . | trans | -82.8 | 103.8 | -176.2 | 51.8 | 0 | 0 | 0 | 0 | 111.4 | S32 Q36 S81 D83 | S32-T34 PolarHBondContact OG-N 2.75Å; S32-T34 PolarHBondContact OG-OG1 2.77Å; T34-Q36 PolarHBondContact O-N 3.33Å; T34-S81 WeakPolarHBondContact CG2-O 3.44Å; T34-D83 PolarHBondContact OG1-OD1 2.94Å | ||
| 35 | V | 61.8 | Low | 81.7 | Confident | 115 Ų | 115 | 46.5 Ų | 46.5 | 70% | 0.697 | 28% | 0.278 | S | S | * | . | trans | -94.9 | 85.9 | 168.3 | -172.5 | 0 | 0 | 0 | 0 | 108 | K33 | K33-V35 PolarHBondContact O-N 3.45Š| ||
| 36 | Q | 55.6 | Low | 81.8 | Confident | 124 Ų | 124 | 44.3 Ų | 44.3 | 58% | 0.579 | 27% | 0.27 | S | S | * | . | trans | -95.2 | 146.1 | 167.3 | -68.6 | -175.8 | -2.6 | 0 | 0 | 109.5 | T34 G38 T39 | T34-Q36 PolarHBondContact O-N 3.33Å; Q36-G38 PolarHBondContact O-N 3.12Å; Q36-T39 HydrophobicContact CB-CG2 3.73Å; Q36-T39 PolarHBondContact N-OG1 3.15Å; Q36-T39 VanDerWaalsContact N-OG1 3.11Å; Q36-T39 PolarHBondContact O-N 2.86Å; Q36-T39 PolarHBondContact O-OG1 3.22Å | ||
| 37 | A | 42.3 | Very low | 81.8 | Confident | 117 Ų | 117 | 44.3 Ų | 44.3 | 97% | 0.967 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 107.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 38 | G | 50.3 | Low | 81.6 | Confident | 85 Ų | 85 | 43.4 Ų | 43.4 | 88% | 0.876 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.7 | 1.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116 | Q36 | Q36-G38 PolarHBondContact O-N 3.12Š|
| 39 | T | 55.2 | Low | 81.3 | Confident | 49 Ų | 49 | 46.8 Ų | 46.8 | 30% | 0.301 | 29% | 0.285 | S | S | . | . | trans | -82.8 | 142.8 | 169.7 | 53.2 | 0 | 0 | 0 | 0 | 111.2 | Q36 | Q36-T39 HydrophobicContact CB-CG2 3.73Å; Q36-T39 PolarHBondContact N-OG1 3.15Å; Q36-T39 VanDerWaalsContact N-OG1 3.11Å; Q36-T39 PolarHBondContact O-N 2.86Å; Q36-T39 PolarHBondContact O-OG1 3.22Å | ||
| 40 | E | 63.9 | Low | 81 | Confident | 87 Ų | 87 | 47.2 Ų | 47.2 | 41% | 0.407 | 29% | 0.291 | S | S | . | . | trans | -63.3 | 137.2 | 175.8 | -64.7 | 176.5 | 154 | 0 | 0 | 109 | L42 L63 | E40-L42 HydrophobicContact CB-CD2 3.57Å; E40-L42 HydrophobicContact CB-CG 4.2Å; E40-L42 WeakPolarHBondContact O-CG 3.17Å; E40-L42 PolarHBondContact O-N 2.92Å; E40-L42 VanDerWaalsContact O-N 3.16Å; E40-L63 HydrophobicContact CB-CD1 4.47Å; E40-L63 WeakPolarHBondContact OE2-CD1 3.12Å | ||
| 41 | N | 86.5 | Confident | 80.8 | Confident | 56 Ų | 56 | 46.1 Ų | 46.1 | 30% | 0.299 | 29% | 0.285 | S | S | . | . | trans | -76 | 101.2 | 174 | -172.6 | 10 | 0 | 0 | 0 | 107.4 | K57 E58 | N41-K57 HydrophobicContact CB-CB 4.23Å; N41-K57 WeakPolarHBondContact O-CB 3.43Å; N41-K57 PolarHBondContact O-N 2.97Å; N41-K57 WeakPolarHBondContact OD1-CD 3.43Å; N41-E58 PolarHBondContact ND2-OE1 3.17Å | ||
| 42 | L | 93.4 | Very high | 80.8 | Confident | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 142.9 | -167.1 | -60.5 | -178.5 | 0 | 0 | 0 | 113.4 | S32 E40 I54 Y55 L63 F78 D83 A99 | S32-L42 PolarHBondContact N-O 2.91Å; E40-L42 HydrophobicContact CB-CD2 3.57Å; E40-L42 HydrophobicContact CB-CG 4.2Å; E40-L42 WeakPolarHBondContact O-CG 3.17Å; E40-L42 PolarHBondContact O-N 2.92Å; E40-L42 VanDerWaalsContact O-N 3.16Å; L42-I54 HydrophobicContact CB-CG2 4.31Å; L42-I54 HydrophobicContact CD1-CG2 4.15Å; L42-I54 HydrophobicContact CD2-CG2 3.87Å; L42-I54 HydrophobicContact CG-CG2 4.33Å; L42-Y55 WeakPolarHBondContact CA-O 3.33Å; L42-L63 HydrophobicContact CD2-CD1 3.41Å; L42-L63 VanDerWaalsContact CD2-CD1 3.41Å; L42-F78 HydrophobicContact CB-CE1 4.16Å; L42-F78 HydrophobicContact CB-CZ 3.75Å; L42-F78 HydrophobicContact CD1-CE1 4.48Å; L42-D83 HydrophobicContact CD1-CB 4.22Å; L42-A99 HydrophobicContact CD1-CB 3.82Å |
| 43 | A | 95.4 | Very high | 81 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 135.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110 | D30 T31 I54 Y55 K57 L337 | D30-A43 CarbonylContact O-C 3.56Å; D30-A43 WeakPolarHBondContact O-CA 3.36Å; T31-A43 HydrophobicContact CG2-CB 4.08Å; A43-I54 CarbonylContact O-C 3.54Å; A43-I54 WeakPolarHBondContact O-CA 3.46Å; A43-Y55 PolarHBondContact N-O 3.06Å; A43-Y55 PolarHBondContact O-N 3.28Å; A43-K57 HydrophobicContact CB-CB 4.47Å; A43-L337 HydrophobicContact CB-CD2 3.69Å |
| 44 | A | 96.8 | Very high | 81.6 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 130.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | I29 D30 I52 I54 V76 F78 V85 | I29-A44 WeakPolarHBondContact CA-O 3.31Å; D30-A44 PolarHBondContact N-O 3.16Å; D30-A44 PolarHBondContact O-N 3.48Å; A44-I52 HydrophobicContact CB-CG2 4.48Å; A44-I54 HydrophobicContact CB-CD1 3.67Å; A44-V76 HydrophobicContact CB-CG2 3.69Å; A44-F78 HydrophobicContact CB-CD2 4.08Å; A44-F78 HydrophobicContact CB-CE2 3.36Å; A44-F78 HydrophobicContact CB-CZ 3.71Å; A44-F78 VanDerWaalsContact N-CE2 3.32Å; A44-V85 HydrophobicContact CB-CG1 4.02Å; A44-V85 HydrophobicContact CB-CG2 4.04Å |
| 45 | V | 97 | Very high | 82.6 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 124.1 | -176.1 | -176.4 | 0 | 0 | 0 | 0 | 109.5 | L26 G28 I29 I52 R53 Y55 L345 | L26-V45 HydrophobicContact CB-CG1 3.82Å; L26-V45 HydrophobicContact CD1-CG1 4.08Å; L26-V45 HydrophobicContact CD2-CG1 3.79Å; L26-V45 HydrophobicContact CG-CG1 4.09Å; G28-V45 CarbonylContact O-C 3.58Å; G28-V45 WeakPolarHBondContact O-CA 3.46Å; I29-V45 HydrophobicContact CG1-CG2 4.32Å; V45-I52 CarbonylContact O-C 3.35Å; V45-I52 WeakPolarHBondContact O-CA 3.3Å; V45-R53 PolarHBondContact N-O 2.96Å; V45-R53 PolarHBondContact O-N 3.43Å; V45-Y55 HydrophobicContact CB-CD2 4.21Å; V45-Y55 HydrophobicContact CB-CE2 3.87Å; V45-Y55 HydrophobicContact CG2-CD2 3.63Å; V45-Y55 HydrophobicContact CG2-CE2 3.66Å; V45-L345 HydrophobicContact CG2-CD1 4.05Å; V45-L345 HydrophobicContact CG2-CD2 4.05Å |
| 46 | L | 96.1 | Very high | 84.1 | Confident | 6 Ų | 6 | 34 Ų | 34 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 125.6 | 172 | 172.6 | 62.1 | 0 | 0 | 0 | 109.8 | L27 G28 L73 V76 | L27-L46 HydrophobicContact CB-CD2 4.3Å; L27-L46 HydrophobicContact CB-CG 4.26Å; L27-L46 PolarHBondContact N-O 2.91Å; G28-L46 PolarHBondContact O-N 2.76Å; L46-L73 HydrophobicContact CD1-CB 3.34Å; L46-L73 HydrophobicContact CD1-CD1 4.02Å; L46-L73 HydrophobicContact CD1-CG 4.34Å; L46-V76 HydrophobicContact CB-CB 4.15Å; L46-V76 HydrophobicContact CB-CG1 3.89Å |
| 47 | C | 94.7 | Very high | 85.7 | Confident | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.014 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 148.8 | -178.5 | -63.2 | 0 | 0 | 0 | 0 | 112.1 | Y25 N49 G50 S51 | Y25-C47 CarbonylContact O-C 3.6Å; Y25-C47 VanDerWaalsContact O-CA 3.3Å; Y25-C47 WeakPolarHBondContact O-CA 3.46Å; C47-N49 WeakPolarHBondContact CB-OD1 3.26Å; C47-N49 PolarHBondContact O-N 2.82Å; C47-N49 VanDerWaalsContact O-N 3.1Å; C47-G50 PolarHBondContact O-N 3.23Å; C47-S51 WeakPolarHBondContact CB-O 3.28Å; C47-S51 PolarHBondContact N-O 3.1Å |
| 48 | S | 92.5 | Very high | 88 | Confident | 50 Ų | 50 | 26.6 Ų | 26.6 | 35% | 0.35 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -14.1 | -178.8 | 61.4 | 0 | 0 | 0 | 0 | 115.3 | Y25 G50 | Y25-S48 PolarHBondContact N-OG 2.74Å; Y25-S48 PolarHBondContact O-N 3.06Å; S48-G50 PolarHBondContact O-N 2.93Å |
| 49 | N | 90 | Very high | 89.9 | Confident | 82 Ų | 82 | 30.8 Ų | 30.8 | 44% | 0.439 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 10.6 | 172.6 | 70.6 | -18.9 | 0 | 0 | 0 | 113.2 | T24 C47 S51 | T24-N49 HydrophobicContact CG2-CB 3.96Å; C47-N49 WeakPolarHBondContact CB-OD1 3.26Å; C47-N49 PolarHBondContact O-N 2.82Å; C47-N49 VanDerWaalsContact O-N 3.1Å; N49-S51 VanDerWaalsContact C-N 3.31Å; N49-S51 PolarHBondContact ND2-OG 2.58Å; N49-S51 PolarHBondContact O-N 2.96Å; N49-S51 WeakPolarHBondContact OD1-CB 3.42Å; N49-S51 PolarHBondContact OD1-N 3.35Å; N49-S51 PolarHBondContact OD1-OG 3.22Å |
| 50 | G | 89.1 | Confident | 91.8 | Very high | 13 Ų | 13 | 28.5 Ų | 28.5 | 13% | 0.134 | 14% | 0.14 | C | C | . | . | S | Bend | trans | 75.2 | 18 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114 | C47 S48 L73 | C47-G50 PolarHBondContact O-N 3.23Å; S48-G50 PolarHBondContact O-N 2.93Å; G50-L73 WeakPolarHBondContact O-CD1 3.49Å |
| 51 | S | 92.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | -101.8 | 155.9 | 173.8 | 69.5 | 0 | 0 | 0 | 0 | 112.2 | C47 N49 F66 | C47-S51 WeakPolarHBondContact CB-O 3.28Å; C47-S51 PolarHBondContact N-O 3.1Å; N49-S51 VanDerWaalsContact C-N 3.31Å; N49-S51 PolarHBondContact ND2-OG 2.58Å; N49-S51 PolarHBondContact O-N 2.96Å; N49-S51 WeakPolarHBondContact OD1-CB 3.42Å; N49-S51 PolarHBondContact OD1-N 3.35Å; N49-S51 PolarHBondContact OD1-OG 3.22Å; S51-F66 CarbonylContact C-O 3.44Å; S51-F66 WeakPolarHBondContact CA-O 3.46Å; S51-F66 WeakPolarHBondContact CB-O 3.1Å | ||
| 52 | I | 95.3 | Very high | 93.5 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 123.4 | 167.3 | -57.2 | 165.3 | 0 | 0 | 0 | 107.3 | A44 V45 I54 E65 F66 L73 V76 V85 S87 | A44-I52 HydrophobicContact CB-CG2 4.48Å; V45-I52 CarbonylContact O-C 3.35Å; V45-I52 WeakPolarHBondContact O-CA 3.3Å; I52-I54 HydrophobicContact CG2-CD1 4.16Å; I52-E65 CarbonylContact O-C 3.6Å; I52-E65 WeakPolarHBondContact O-CA 3.36Å; I52-F66 HydrophobicContact CB-CB 4.34Å; I52-F66 HydrophobicContact CB-CD2 4.09Å; I52-F66 HydrophobicContact CG2-CD2 4.19Å; I52-F66 PolarHBondContact N-O 3.03Å; I52-F66 PolarHBondContact O-N 2.82Å; I52-L73 HydrophobicContact CD1-CD1 3.96Å; I52-L73 HydrophobicContact CG1-CD1 3.63Å; I52-V76 HydrophobicContact CG2-CG2 4.09Å; I52-V85 HydrophobicContact CG2-CG1 4.34Å; I52-S87 WeakPolarHBondContact CD1-OG 3.48Å |
| 53 | R | 95.1 | Very high | 93.5 | Very high | 14 Ų | 14 | 28.7 Ų | 28.7 | 5% | 0.053 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 129.4 | 175.4 | -70.5 | -179.3 | -178 | 139.4 | 9.3 | 110.2 | T24 V45 Y55 V62 R64 E65 | T24-R53 PolarHBondContact OG1-NH1 2.82Å; V45-R53 PolarHBondContact N-O 2.96Å; V45-R53 PolarHBondContact O-N 3.43Å; R53-Y55 HydrophobicContact CB-CD2 4.11Å; R53-Y55 HydrophobicContact CB-CE2 3.46Å; R53-Y55 VanDerWaalsContact CB-CE2 3.46Å; R53-V62 HydrophobicContact CB-CG1 4.45Å; R53-V62 HydrophobicContact CG-CG1 4.49Å; R53-R64 WeakPolarHBondContact CA-O 3.41Å; R53-E65 HydrophobicContact CG-CB 4.32Å; R53-E65 HydrophobicContact CG-CG 3.94Å; R53-E65 IonicContact CZ-OE2 3.06Å; R53-E65 IonicContact NE-OE2 3.12Å; R53-E65 PolarHBondContact NE-OE2 3.46Å; R53-E65 IonicContact NH2-OE2 2.62Å |
| 54 | I | 96.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 125.1 | 172.9 | -53.5 | -55.1 | 0 | 0 | 0 | 108 | L42 A43 A44 I52 L63 R64 F66 V85 A99 | L42-I54 HydrophobicContact CB-CG2 4.31Å; L42-I54 HydrophobicContact CD1-CG2 4.15Å; L42-I54 HydrophobicContact CD2-CG2 3.87Å; L42-I54 HydrophobicContact CG-CG2 4.33Å; A43-I54 CarbonylContact O-C 3.54Å; A43-I54 WeakPolarHBondContact O-CA 3.46Å; A44-I54 HydrophobicContact CB-CD1 3.67Å; I52-I54 HydrophobicContact CG2-CD1 4.16Å; I54-L63 PolarHBondContact O-N 2.82Å; I54-R64 HydrophobicContact CB-CB 4.02Å; I54-R64 HydrophobicContact CB-CG 4.46Å; I54-R64 HydrophobicContact CG1-CB 4.17Å; I54-R64 PolarHBondContact N-O 2.76Å; I54-R64 PolarHBondContact O-N 3.38Å; I54-F66 HydrophobicContact CD1-CE2 4Å; I54-F66 HydrophobicContact CG1-CD2 4.37Å; I54-F66 HydrophobicContact CG1-CE2 3.64Å; I54-F66 HydrophobicContact CG1-CZ 4.33Å; I54-V85 HydrophobicContact CD1-CG2 4.01Å; I54-A99 HydrophobicContact CD1-CB 4.23Å; I54-A99 HydrophobicContact CG1-CB 4.25Å; I54-A99 HydrophobicContact CG2-CB 4.36Å |
| 55 | Y | 94.9 | Very high | 93.2 | Very high | 5 Ų | 5 | 36 Ų | 36 | 2% | 0.02 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 148.5 | -179.8 | -70.8 | -98.7 | 0 | 0 | 0 | 110.8 | L42 A43 V45 R53 K57 L60 N61 V62 L345 | L42-Y55 WeakPolarHBondContact CA-O 3.33Å; A43-Y55 PolarHBondContact N-O 3.06Å; A43-Y55 PolarHBondContact O-N 3.28Å; V45-Y55 HydrophobicContact CB-CD2 4.21Å; V45-Y55 HydrophobicContact CB-CE2 3.87Å; V45-Y55 HydrophobicContact CG2-CD2 3.63Å; V45-Y55 HydrophobicContact CG2-CE2 3.66Å; R53-Y55 HydrophobicContact CB-CD2 4.11Å; R53-Y55 HydrophobicContact CB-CE2 3.46Å; R53-Y55 VanDerWaalsContact CB-CE2 3.46Å; Y55-K57 PolarHBondContact O-N 3.48Å; Y55-L60 WeakPolarHBondContact CD1-O 3.38Å; Y55-N61 WeakPolarHBondContact CA-O 3.34Å; Y55-V62 HydrophobicContact CD1-CG2 4.04Å; Y55-V62 HydrophobicContact CE1-CB 4.48Å; Y55-V62 HydrophobicContact CE1-CG2 3.41Å; Y55-V62 VanDerWaalsContact CE1-CG2 3.41Å; Y55-V62 HydrophobicContact CE2-CG2 4.35Å; Y55-L345 HydrophobicContact CD1-CD2 3.84Å; Y55-L345 HydrophobicContact CD2-CD2 3.89Å; Y55-L345 HydrophobicContact CE1-CD2 4.1Å; Y55-L345 HydrophobicContact CE2-CD2 4.13Å; Y55-L345 HydrophobicContact CG-CD2 3.72Å |
| 56 | D | 93.1 | Very high | 93 | Very high | 21 Ų | 21 | 36.1 Ų | 36.1 | 11% | 0.112 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 120.5 | 154.9 | -179.9 | -57 | 0 | 0 | 0 | 107.6 | E58 R59 L60 N61 L63 | D56-E58 VanDerWaalsContact C-N 3.27Å; D56-E58 PolarHBondContact O-N 2.86Å; D56-E58 WeakPolarHBondContact OD1-CA 3.32Å; D56-E58 WeakPolarHBondContact OD1-CB 3.33Å; D56-E58 PolarHBondContact OD1-N 3.33Å; D56-R59 HydrophobicContact CB-CB 4.17Å; D56-R59 PolarHBondContact OD1-N 3.2Å; D56-L60 WeakPolarHBondContact O-CA 3.27Å; D56-L60 PolarHBondContact O-N 3.26Å; D56-N61 WeakPolarHBondContact CB-OD1 3.4Å; D56-N61 PolarHBondContact N-O 3.07Å; D56-N61 VanDerWaalsContact N-O 3.16Å; D56-L63 HydrophobicContact CB-CD1 3.96Å; D56-L63 HydrophobicContact CB-CD2 4.31Å; D56-L63 HydrophobicContact CB-CG 4.19Å |
| 57 | K | 90.6 | Very high | 92.7 | Very high | 7 Ų | 7 | 38.8 Ų | 38.8 | 3% | 0.03 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -26.6 | -174.3 | -177.7 | 173.9 | 168.2 | -174.2 | 0 | 113.1 | T31 N41 A43 Y55 L60 N330 L347 | T31-K57 HydrophobicContact CG2-CD 4.1Å; N41-K57 HydrophobicContact CB-CB 4.23Å; N41-K57 WeakPolarHBondContact O-CB 3.43Å; N41-K57 PolarHBondContact O-N 2.97Å; N41-K57 WeakPolarHBondContact OD1-CD 3.43Å; A43-K57 HydrophobicContact CB-CB 4.47Å; Y55-K57 PolarHBondContact O-N 3.48Å; K57-L60 VanDerWaalsContact O-CD2 3.31Å; K57-L60 WeakPolarHBondContact O-CD2 3.31Å; K57-N330 PolarHBondContact NZ-ND2 3Å; K57-L347 WeakPolarHBondContact O-CD2 3.46Å |
| 58 | E | 89.5 | Confident | 91.5 | Very high | 79 Ų | 79 | 42.3 Ų | 42.3 | 37% | 0.369 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -40.7 | -179.8 | -65 | -61.7 | 147.8 | 0 | 0 | 111.8 | N41 D56 K349 | N41-E58 PolarHBondContact ND2-OE1 3.17Å; D56-E58 VanDerWaalsContact C-N 3.27Å; D56-E58 PolarHBondContact O-N 2.86Å; D56-E58 WeakPolarHBondContact OD1-CA 3.32Å; D56-E58 WeakPolarHBondContact OD1-CB 3.33Å; D56-E58 PolarHBondContact OD1-N 3.33Å; E58-K349 VanDerWaalsContact CD-NZ 3.28Å; E58-K349 IonicContact OE1-NZ 3.84Å; E58-K349 PolarHBondContact OE1-NZ 3.37Å; E58-K349 IonicContact OE2-NZ 3.93Å; E58-K349 PolarHBondContact OE2-NZ 3.47Å |
| 59 | R | 90.8 | Very high | 90.6 | Very high | 172 Ų | 172 | 42.1 Ų | 42.1 | 65% | 0.649 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -17.1 | -174.4 | -65.8 | 178.4 | 176.3 | -178.5 | 2.4 | 113.2 | K15 D56 N61 | K15-R59 WeakPolarHBondContact CE-O 3.42Å; D56-R59 HydrophobicContact CB-CB 4.17Å; D56-R59 PolarHBondContact OD1-N 3.2Å; R59-N61 WeakPolarHBondContact CB-OD1 3.49Å; R59-N61 PolarHBondContact O-N 3.32Å; R59-N61 VanDerWaalsContact O-N 3.12Å |
| 60 | L | 93.7 | Very high | 89.4 | Confident | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | trans | 49.6 | 30.6 | -176 | -52.5 | -172.1 | 0 | 0 | 0 | 114.1 | K15 Y55 D56 K57 L337 L345 L347 | K15-L60 HydrophobicContact CB-CD1 3.86Å; K15-L60 HydrophobicContact CB-CG 4.09Å; K15-L60 HydrophobicContact CG-CB 3.94Å; K15-L60 HydrophobicContact CG-CD1 3.85Å; K15-L60 HydrophobicContact CG-CG 3.74Å; K15-L60 WeakPolarHBondContact O-CD1 3.38Å; Y55-L60 WeakPolarHBondContact CD1-O 3.38Å; D56-L60 WeakPolarHBondContact O-CA 3.27Å; D56-L60 PolarHBondContact O-N 3.26Å; K57-L60 VanDerWaalsContact O-CD2 3.31Å; K57-L60 WeakPolarHBondContact O-CD2 3.31Å; L60-L337 HydrophobicContact CD2-CD1 3.72Å; L60-L345 HydrophobicContact CD1-CG 4.49Å; L60-L345 WeakPolarHBondContact CD1-O 3.43Å; L60-L345 HydrophobicContact CD2-CD2 3.91Å; L60-L345 HydrophobicContact CD2-CG 4.36Å; L60-L347 HydrophobicContact CD1-CB 3.82Å; L60-L347 HydrophobicContact CD2-CB 4.37Å; L60-L347 HydrophobicContact CG-CB 4.31Å | ||
| 61 | N | 92.5 | Very high | 88.5 | Confident | 63 Ų | 63 | 43.9 Ų | 43.9 | 34% | 0.337 | 25% | 0.245 | S | C | . | . | trans | -90.4 | 142.1 | 166.2 | 63.1 | -59 | 0 | 0 | 0 | 109.6 | Y55 D56 R59 L63 | Y55-N61 WeakPolarHBondContact CA-O 3.34Å; D56-N61 WeakPolarHBondContact CB-OD1 3.4Å; D56-N61 PolarHBondContact N-O 3.07Å; D56-N61 VanDerWaalsContact N-O 3.16Å; R59-N61 WeakPolarHBondContact CB-OD1 3.49Å; R59-N61 PolarHBondContact O-N 3.32Å; R59-N61 VanDerWaalsContact O-N 3.12Å; N61-L63 PolarHBondContact O-N 3.01Å | ||
| 62 | V | 93.7 | Very high | 88 | Confident | 55 Ų | 55 | 49.2 Ų | 49.2 | 33% | 0.333 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 122.5 | 174.4 | -177.9 | 0 | 0 | 0 | 0 | 108.3 | R53 Y55 R64 | R53-V62 HydrophobicContact CB-CG1 4.45Å; R53-V62 HydrophobicContact CG-CG1 4.49Å; Y55-V62 HydrophobicContact CD1-CG2 4.04Å; Y55-V62 HydrophobicContact CE1-CB 4.48Å; Y55-V62 HydrophobicContact CE1-CG2 3.41Å; Y55-V62 VanDerWaalsContact CE1-CG2 3.41Å; Y55-V62 HydrophobicContact CE2-CG2 4.35Å; V62-R64 WeakPolarHBondContact CG1-O 3.43Å |
| 63 | L | 93.6 | Very high | 87.6 | Confident | 31 Ų | 31 | 49.5 Ų | 49.5 | 16% | 0.162 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | -44.9 | 172.9 | -62.3 | 172.7 | 0 | 0 | 0 | 109.8 | E40 L42 I54 D56 N61 | E40-L63 HydrophobicContact CB-CD1 4.47Å; E40-L63 WeakPolarHBondContact OE2-CD1 3.12Å; L42-L63 HydrophobicContact CD2-CD1 3.41Å; L42-L63 VanDerWaalsContact CD2-CD1 3.41Å; I54-L63 PolarHBondContact O-N 2.82Å; D56-L63 HydrophobicContact CB-CD1 3.96Å; D56-L63 HydrophobicContact CB-CD2 4.31Å; D56-L63 HydrophobicContact CB-CG 4.19Å; N61-L63 PolarHBondContact O-N 3.01Å |
| 64 | R | 93.7 | Very high | 87.2 | Confident | 75 Ų | 75 | 50.9 Ų | 50.9 | 28% | 0.283 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 155.5 | -175.2 | -47.5 | -70.4 | 177.6 | -89.8 | -8.6 | 110.6 | R53 I54 V62 R100 | R53-R64 WeakPolarHBondContact CA-O 3.41Å; I54-R64 HydrophobicContact CB-CB 4.02Å; I54-R64 HydrophobicContact CB-CG 4.46Å; I54-R64 HydrophobicContact CG1-CB 4.17Å; I54-R64 PolarHBondContact N-O 2.76Å; I54-R64 PolarHBondContact O-N 3.38Å; V62-R64 WeakPolarHBondContact CG1-O 3.43Å; R64-R100 PolarHBondContact NE-O 3.49Å; R64-R100 PolarHBondContact NH2-O 3.06Å |
| 65 | E | 93.6 | Very high | 87 | Confident | 79 Ų | 79 | 52.4 Ų | 52.4 | 37% | 0.369 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 130.2 | 171.5 | -174.8 | 169.9 | 139.3 | 0 | 0 | 109.1 | I52 R53 | I52-E65 CarbonylContact O-C 3.6Å; I52-E65 WeakPolarHBondContact O-CA 3.36Å; R53-E65 HydrophobicContact CG-CB 4.32Å; R53-E65 HydrophobicContact CG-CG 3.94Å; R53-E65 IonicContact CZ-OE2 3.06Å; R53-E65 IonicContact NE-OE2 3.12Å; R53-E65 PolarHBondContact NE-OE2 3.46Å; R53-E65 IonicContact NH2-OE2 2.62Å |
| 66 | F | 92.9 | Very high | 87.1 | Confident | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.009 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 116.7 | 171.7 | -52.6 | -62.5 | 0 | 0 | 0 | 107.8 | S51 I52 I54 Y69 W97 | S51-F66 CarbonylContact C-O 3.44Å; S51-F66 WeakPolarHBondContact CA-O 3.46Å; S51-F66 WeakPolarHBondContact CB-O 3.1Å; I52-F66 HydrophobicContact CB-CB 4.34Å; I52-F66 HydrophobicContact CB-CD2 4.09Å; I52-F66 HydrophobicContact CG2-CD2 4.19Å; I52-F66 PolarHBondContact N-O 3.03Å; I52-F66 PolarHBondContact O-N 2.82Å; I54-F66 HydrophobicContact CD1-CE2 4Å; I54-F66 HydrophobicContact CG1-CD2 4.37Å; I54-F66 HydrophobicContact CG1-CE2 3.64Å; I54-F66 HydrophobicContact CG1-CZ 4.33Å; F66-Y69 HydrophobicContact CB-CE2 4.31Å; F66-W97 HydrophobicContact CB-CD2 4.27Å; F66-W97 HydrophobicContact CB-CE3 4.23Å; F66-W97 HydrophobicContact CD1-CD2 4.33Å; F66-W97 AromaticContact CD1-CE3 3.88Å; F66-W97 HydrophobicContact CD1-CE3 3.88Å; F66-W97 HydrophobicContact CD2-CB 4.02Å; F66-W97 HydrophobicContact CD2-CD2 4.3Å; F66-W97 AromaticContact CD2-CG 3.99Å; F66-W97 HydrophobicContact CD2-CG 3.99Å; F66-W97 HydrophobicContact CE1-CB 4.28Å; F66-W97 HydrophobicContact CE1-CE3 4.4Å; F66-W97 HydrophobicContact CE2-CB 3.7Å; F66-W97 HydrophobicContact CE2-CG 4.18Å; F66-W97 HydrophobicContact CG-CB 4.46Å; F66-W97 HydrophobicContact CG-CD2 4.05Å; F66-W97 HydrophobicContact CG-CE3 4.01Å; F66-W97 HydrophobicContact CG-CG 4.23Å; F66-W97 HydrophobicContact CZ-CB 3.85Å |
| 67 | S | 88.4 | Confident | 87.3 | Confident | 61 Ų | 61 | 53.6 Ų | 53.6 | 43% | 0.427 | 30% | 0.302 | S | S | . | . | trans | -147.7 | 175.3 | -175.9 | 62.9 | 0 | 0 | 0 | 0 | 112.1 | Y69 | S67-Y69 VanDerWaalsContact O-CE2 3.3Å; S67-Y69 WeakPolarHBondContact O-CE2 3.38Å; S67-Y69 VanDerWaalsContact O-CZ 3.24Å; S67-Y69 PolarHBondContact O-OH 3.19Å | ||
| 68 | G | 70.6 | Confident | 87.5 | Confident | 77 Ų | 77 | 53.6 Ų | 53.6 | 79% | 0.794 | 30% | 0.301 | S | S | * | . | trans | 94.7 | 19.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 69 | Y | 73.3 | Confident | 87.8 | Confident | 45 Ų | 45 | 49.9 Ų | 49.9 | 18% | 0.176 | 28% | 0.284 | C | S | . | . | trans | -100.7 | 146 | -175.1 | -49.7 | -64.8 | 0 | 0 | 0 | 112.7 | F66 S67 W97 E104 | F66-Y69 HydrophobicContact CB-CE2 4.31Å; S67-Y69 VanDerWaalsContact O-CE2 3.3Å; S67-Y69 WeakPolarHBondContact O-CE2 3.38Å; S67-Y69 VanDerWaalsContact O-CZ 3.24Å; S67-Y69 PolarHBondContact O-OH 3.19Å; Y69-W97 HydrophobicContact CD1-CH2 4.17Å; Y69-W97 HydrophobicContact CD2-CH2 4.25Å; Y69-W97 HydrophobicContact CD2-CZ2 4.29Å; Y69-W97 AromaticContact CE1-CH2 3.4Å; Y69-W97 HydrophobicContact CE1-CH2 3.4Å; Y69-W97 HydrophobicContact CE1-CZ2 4.29Å; Y69-W97 HydrophobicContact CE1-CZ3 4.09Å; Y69-W97 AromaticContact CE2-CH2 3.47Å; Y69-W97 HydrophobicContact CE2-CH2 3.47Å; Y69-W97 VanDerWaalsContact CE2-CH2 3.47Å; Y69-W97 AromaticContact CE2-CZ2 3.75Å; Y69-W97 HydrophobicContact CE2-CZ2 3.75Å; Y69-W97 HydrophobicContact CE2-CZ3 4.18Å; Y69-W97 AromaticContact CZ-CH2 3.01Å; Y69-W97 AromaticContact CZ-CZ2 3.8Å; Y69-W97 AromaticContact CZ-CZ3 3.52Å; Y69-W97 WeakPolarHBondContact OH-CH2 3.37Å; Y69-W97 WeakPolarHBondContact OH-CZ3 3.4Å; Y69-E104 WeakPolarHBondContact CE1-O 3.5Å; Y69-E104 PolarHBondContact OH-O 3.38Å | ||
| 70 | P | 64 | Low | 87.8 | Confident | 95 Ų | 95 | 43.5 Ų | 43.5 | 62% | 0.617 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -72.1 | 130.4 | 170 | 30.7 | -31.9 | 0 | 0 | 0 | 109.3 | C89 | P70-C89 PolarHBondContact O-SG 2.92Å; P70-C89 VanDerWaalsContact O-SG 3.37Å |
| 71 | G | 70.6 | Confident | 87.6 | Confident | 38 Ų | 38 | 47.1 Ų | 47.1 | 39% | 0.392 | 29% | 0.289 | S | S | . | . | S | Bend | trans | 104.4 | 165.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | T90 | G71-T90 WeakPolarHBondContact CA-OG1 3.39Š|
| 72 | L | 82 | Confident | 87.4 | Confident | 111 Ų | 111 | 46.3 Ų | 46.3 | 58% | 0.581 | 29% | 0.287 | S | S | * | . | trans | -83.4 | 144.4 | 173.9 | -60.6 | 174.8 | 0 | 0 | 0 | 108.7 | C89 T90 | L72-C89 WeakPolarHBondContact O-CA 3.14Å; L72-T90 HydrophobicContact CB-CG2 3.9Å; L72-T90 PolarHBondContact N-OG1 2.57Å; L72-T90 PolarHBondContact O-N 2.88Å | ||
| 73 | L | 86.8 | Confident | 87.2 | Confident | 8 Ų | 8 | 44.1 Ų | 44.1 | 4% | 0.042 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 135.3 | 175.4 | -69 | -177.7 | 0 | 0 | 0 | 109.1 | L46 G50 I52 A88 C89 | L46-L73 HydrophobicContact CD1-CB 3.34Å; L46-L73 HydrophobicContact CD1-CD1 4.02Å; L46-L73 HydrophobicContact CD1-CG 4.34Å; G50-L73 WeakPolarHBondContact O-CD1 3.49Å; I52-L73 HydrophobicContact CD1-CD1 3.96Å; I52-L73 HydrophobicContact CG1-CD1 3.63Å; L73-A88 CarbonylContact C-O 3.49Å; L73-A88 WeakPolarHBondContact CA-O 3.17Å; L73-C89 HydrophobicContact CD2-CB 3.81Å |
| 74 | N | 86.8 | Confident | 87.2 | Confident | 42 Ų | 42 | 43.2 Ų | 43.2 | 23% | 0.225 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 107.6 | -176.9 | -67.4 | -53.4 | 0 | 0 | 0 | 109.7 | A88 T90 F118 I119 F121 | N74-A88 PolarHBondContact N-O 2.84Å; N74-A88 WeakPolarHBondContact O-CB 3.27Å; N74-A88 PolarHBondContact O-N 2.94Å; N74-T90 WeakPolarHBondContact ND2-CG2 3.29Å; N74-F118 PolarHBondContact ND2-O 3.35Å; N74-I119 WeakPolarHBondContact CB-O 3.32Å; N74-F121 WeakPolarHBondContact O-CD1 3.35Å; N74-F121 WeakPolarHBondContact O-CE1 3.42Å |
| 75 | G | 92.2 | Very high | 87.3 | Confident | 32 Ų | 32 | 39.7 Ų | 39.7 | 33% | 0.33 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 79.8 | 158.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 76 | V | 96.9 | Very high | 87.4 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 131.4 | 173 | 61.9 | 0 | 0 | 0 | 0 | 108.4 | D30 A44 L46 I52 V85 Y86 | D30-V76 WeakPolarHBondContact CB-O 3.38Å; A44-V76 HydrophobicContact CB-CG2 3.69Å; L46-V76 HydrophobicContact CB-CB 4.15Å; L46-V76 HydrophobicContact CB-CG1 3.89Å; I52-V76 HydrophobicContact CG2-CG2 4.09Å; V76-V85 HydrophobicContact CG2-CG1 3.48Å; V76-V85 VanDerWaalsContact CG2-CG1 3.48Å; V76-Y86 WeakPolarHBondContact CA-O 3.13Å |
| 77 | R | 96.9 | Very high | 87.6 | Confident | 51 Ų | 51 | 36.1 Ų | 36.1 | 19% | 0.192 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 134.7 | -178.5 | -67.8 | -69.1 | 168.3 | -114.1 | 11.6 | 111.7 | I29 D30 V85 Y86 F121 R177 | I29-R77 PolarHBondContact O-NH1 3.29Å; D30-R77 VanDerWaalsContact OD2-CA 3.24Å; D30-R77 WeakPolarHBondContact OD2-CA 3.46Å; R77-V85 CarbonylContact O-C 3.43Å; R77-V85 WeakPolarHBondContact O-CA 3.17Å; R77-Y86 PolarHBondContact N-O 3.3Å; R77-Y86 PolarHBondContact O-N 3.08Å; R77-F121 HydrophobicContact CB-CE2 3.95Å; R77-F121 HydrophobicContact CB-CZ 4.02Å; R77-F121 HydrophobicContact CG-CE2 4.04Å; R77-F121 HydrophobicContact CG-CZ 3.98Å; R77-R177 VanDerWaalsContact NH2-NH1 3.2Å |
| 78 | F | 95.9 | Very high | 87.9 | Confident | 6 Ų | 6 | 33.2 Ų | 33.2 | 3% | 0.026 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 149 | 167 | -82.5 | -84.7 | 0 | 0 | 0 | 110.6 | D30 S32 L42 A44 S84 V85 A99 | D30-F78 HydrophobicContact CB-CD2 4.18Å; D30-F78 WeakPolarHBondContact O-CE2 3.42Å; D30-F78 PolarHBondContact OD2-N 3.24Å; S32-F78 VanDerWaalsContact N-CD2 3.32Å; L42-F78 HydrophobicContact CB-CE1 4.16Å; L42-F78 HydrophobicContact CB-CZ 3.75Å; L42-F78 HydrophobicContact CD1-CE1 4.48Å; A44-F78 HydrophobicContact CB-CD2 4.08Å; A44-F78 HydrophobicContact CB-CE2 3.36Å; A44-F78 HydrophobicContact CB-CZ 3.71Å; A44-F78 VanDerWaalsContact N-CE2 3.32Å; F78-S84 CarbonylContact C-O 3.6Å; F78-S84 WeakPolarHBondContact CA-O 3.46Å; F78-V85 HydrophobicContact CD1-CG2 3.43Å; F78-V85 VanDerWaalsContact CD1-CG2 3.43Å; F78-V85 HydrophobicContact CD2-CG2 4.37Å; F78-V85 HydrophobicContact CE1-CG2 3.24Å; F78-V85 HydrophobicContact CE2-CG2 4.24Å; F78-V85 HydrophobicContact CG-CG2 4.01Å; F78-V85 HydrophobicContact CZ-CG2 3.69Å; F78-A99 HydrophobicContact CE1-CB 4.06Å |
| 79 | A | 94.4 | Very high | 88.9 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.008 | 18% | 0.182 | C | C | . | . | trans | -60.8 | 151.6 | 157.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | C82 S84 Y86 | A79-C82 WeakPolarHBondContact CB-O 3.36Å; A79-S84 PolarHBondContact N-O 2.91Å; A79-Y86 HydrophobicContact CB-CE2 4.01Å | ||
| 80 | N | 91.4 | Very high | 89.9 | Confident | 38 Ų | 38 | 29.3 Ų | 29.3 | 20% | 0.203 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -78.2 | -28.4 | 178.3 | -61.2 | -77.6 | 0 | 0 | 0 | 112.4 | K33 N124 D127 | K33-N80 PolarHBondContact NZ-OD1 3.48Å; N80-N124 PolarHBondContact ND2-O 2.85Å; N80-N124 VanDerWaalsContact ND2-O 3.14Å; N80-D127 WeakPolarHBondContact CB-OD1 2.93Å; N80-D127 VanDerWaalsContact N-CG 3.29Å; N80-D127 PolarHBondContact N-OD1 2.98Å; N80-D127 PolarHBondContact N-OD2 3.16Å; N80-D127 PolarHBondContact ND2-OD1 2.72Å |
| 81 | S | 89.3 | Confident | 91.2 | Very high | 79 Ų | 79 | 27.8 Ų | 27.8 | 55% | 0.552 | 17% | 0.172 | S | C | * | . | S | Bend | trans | -105.2 | -13.7 | -171.3 | 63.7 | 0 | 0 | 0 | 0 | 115 | T34 D127 | T34-S81 WeakPolarHBondContact CG2-O 3.44Å; S81-D127 WeakPolarHBondContact CB-OD2 3.45Å; S81-D127 PolarHBondContact N-OD2 2.89Å; S81-D127 PolarHBondContact OG-OD2 3.48Å |
| 82 | C | 88.6 | Confident | 92.3 | Very high | 45 Ų | 45 | 26.4 Ų | 26.4 | 30% | 0.304 | 16% | 0.157 | S | C | . | . | S | Bend | trans | -153 | 168.7 | -179.3 | 65.7 | 0 | 0 | 0 | 0 | 112.4 | A79 S84 | A79-C82 WeakPolarHBondContact CB-O 3.36Å; C82-S84 PolarHBondContact O-N 2.99Å; C82-S84 PolarHBondContact SG-OG 2.75Å |
| 83 | D | 90.3 | Very high | 92.9 | Very high | 10 Ų | 10 | 21.7 Ų | 21.7 | 5% | 0.053 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -78.2 | 40.9 | 176.8 | -64.7 | -50.8 | 0 | 0 | 0 | 113.1 | S32 T34 L42 A99 R100 | S32-D83 PolarHBondContact OG-OD1 2.78Å; T34-D83 PolarHBondContact OG1-OD1 2.94Å; L42-D83 HydrophobicContact CD1-CB 4.22Å; D83-A99 HydrophobicContact CB-CB 4.35Å; D83-A99 WeakPolarHBondContact O-CB 3.08Å; D83-A99 PolarHBondContact O-N 3.44Å; D83-R100 HydrophobicContact CB-CG 3.97Å |
| 84 | S | 93.2 | Very high | 93.3 | Very high | 12 Ų | 12 | 21.3 Ų | 21.3 | 8% | 0.084 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 144.1 | 169 | -60.5 | 0 | 0 | 0 | 0 | 110.1 | F78 A79 C82 W97 | F78-S84 CarbonylContact C-O 3.6Å; F78-S84 WeakPolarHBondContact CA-O 3.46Å; A79-S84 PolarHBondContact N-O 2.91Å; C82-S84 PolarHBondContact O-N 2.99Å; C82-S84 PolarHBondContact SG-OG 2.75Å; S84-W97 CarbonylContact C-O 3.55Å; S84-W97 VanDerWaalsContact CA-O 3.23Å; S84-W97 WeakPolarHBondContact CA-O 3.39Å |
| 85 | V | 95.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 132.6 | 178.7 | 175.5 | 0 | 0 | 0 | 0 | 109.4 | A44 I52 I54 V76 R77 F78 C96 W97 A99 | A44-V85 HydrophobicContact CB-CG1 4.02Å; A44-V85 HydrophobicContact CB-CG2 4.04Å; I52-V85 HydrophobicContact CG2-CG1 4.34Å; I54-V85 HydrophobicContact CD1-CG2 4.01Å; V76-V85 HydrophobicContact CG2-CG1 3.48Å; V76-V85 VanDerWaalsContact CG2-CG1 3.48Å; R77-V85 CarbonylContact O-C 3.43Å; R77-V85 WeakPolarHBondContact O-CA 3.17Å; F78-V85 HydrophobicContact CD1-CG2 3.43Å; F78-V85 VanDerWaalsContact CD1-CG2 3.43Å; F78-V85 HydrophobicContact CD2-CG2 4.37Å; F78-V85 HydrophobicContact CE1-CG2 3.24Å; F78-V85 HydrophobicContact CE2-CG2 4.24Å; F78-V85 HydrophobicContact CG-CG2 4.01Å; F78-V85 HydrophobicContact CZ-CG2 3.69Å; V85-C96 CarbonylContact O-C 3.47Å; V85-C96 WeakPolarHBondContact O-CA 3.33Å; V85-W97 PolarHBondContact N-O 3.29Å; V85-W97 PolarHBondContact O-N 2.72Å; V85-A99 HydrophobicContact CG2-CB 3.96Å |
| 86 | Y | 96.6 | Very high | 93.8 | Very high | 7 Ų | 7 | 18.1 Ų | 18.1 | 3% | 0.027 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 152.3 | 177 | -61.6 | -87.8 | 0 | 0 | 0 | 111.1 | V76 R77 A79 K95 C96 F110 F121 I123 I130 | V76-Y86 WeakPolarHBondContact CA-O 3.13Å; R77-Y86 PolarHBondContact N-O 3.3Å; R77-Y86 PolarHBondContact O-N 3.08Å; A79-Y86 HydrophobicContact CB-CE2 4.01Å; Y86-K95 CarbonylContact C-O 3.57Å; Y86-K95 VanDerWaalsContact CA-O 3.22Å; Y86-K95 WeakPolarHBondContact CA-O 3.44Å; Y86-C96 HydrophobicContact CD1-CB 3.65Å; Y86-C96 HydrophobicContact CE1-CB 3.45Å; Y86-C96 VanDerWaalsContact CE1-CB 3.45Å; Y86-C96 WeakPolarHBondContact CE1-SG 3.24Å; Y86-F110 HydrophobicContact CD1-CE2 4Å; Y86-F110 AromaticContact CE1-CE2 3.76Å; Y86-F110 HydrophobicContact CE1-CE2 3.76Å; Y86-F110 HydrophobicContact CE1-CZ 4.02Å; Y86-F121 VanDerWaalsContact C-CZ 3.48Å; Y86-F121 VanDerWaalsContact CB-CE2 3.48Å; Y86-F121 VanDerWaalsContact O-CZ 3.3Å; Y86-F121 WeakPolarHBondContact O-CZ 3.22Å; Y86-I123 HydrophobicContact CD2-CD1 4.04Å; Y86-I123 HydrophobicContact CD2-CG2 4.45Å; Y86-I123 HydrophobicContact CE1-CD1 4.42Å; Y86-I123 HydrophobicContact CE2-CD1 3.37Å; Y86-I130 HydrophobicContact CD1-CD1 3.59Å; Y86-I130 HydrophobicContact CE1-CD1 3.49Å; Y86-I130 VanDerWaalsContact CE1-CD1 3.49Å; Y86-I130 HydrophobicContact CG-CD1 4.44Å |
| 87 | S | 95.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 132.2 | 174.5 | 58 | 0 | 0 | 0 | 0 | 110.4 | I52 V94 K95 W97 | I52-S87 WeakPolarHBondContact CD1-OG 3.48Å; S87-V94 WeakPolarHBondContact O-CA 3.34Å; S87-K95 PolarHBondContact N-O 2.83Å; S87-K95 PolarHBondContact O-N 2.79Å; S87-W97 PolarHBondContact OG-NE1 3.42Å |
| 88 | A | 94.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 154.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | L73 N74 V94 F118 F121 | L73-A88 CarbonylContact C-O 3.49Å; L73-A88 WeakPolarHBondContact CA-O 3.17Å; N74-A88 PolarHBondContact N-O 2.84Å; N74-A88 WeakPolarHBondContact O-CB 3.27Å; N74-A88 PolarHBondContact O-N 2.94Å; A88-V94 HydrophobicContact CB-CG2 4.12Å; A88-F118 HydrophobicContact CB-CB 3.83Å; A88-F121 HydrophobicContact CB-CB 4.11Å; A88-F121 HydrophobicContact CB-CD1 3.37Å; A88-F121 HydrophobicContact CB-CE1 4.11Å; A88-F121 HydrophobicContact CB-CG 3.97Å; A88-F121 VanDerWaalsContact N-CD1 3.34Å |
| 89 | C | 93.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 144.7 | -176.9 | -170.5 | 0 | 0 | 0 | 0 | 111.2 | P70 L72 L73 D91 G92 T93 K95 | P70-C89 PolarHBondContact O-SG 2.92Å; P70-C89 VanDerWaalsContact O-SG 3.37Å; L72-C89 WeakPolarHBondContact O-CA 3.14Å; L73-C89 HydrophobicContact CD2-CB 3.81Å; C89-D91 VanDerWaalsContact CB-OD1 3.25Å; C89-D91 WeakPolarHBondContact CB-OD1 3.39Å; C89-D91 PolarHBondContact O-N 2.74Å; C89-D91 VanDerWaalsContact SG-CG 3.52Å; C89-D91 PolarHBondContact SG-OD1 3.47Å; C89-D91 VanDerWaalsContact SG-OD1 3.38Å; C89-G92 PolarHBondContact O-N 2.84Å; C89-T93 WeakPolarHBondContact CB-O 3.12Å; C89-T93 PolarHBondContact N-O 2.89Å; C89-K95 PolarHBondContact SG-NZ 3.45Å |
| 90 | T | 92.8 | Very high | 93 | Very high | 40 Ų | 40 | 23.3 Ų | 23.3 | 25% | 0.245 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -1.7 | 176 | 65.7 | 0 | 0 | 0 | 0 | 113.5 | G71 L72 N74 G92 I117 | G71-T90 WeakPolarHBondContact CA-OG1 3.39Å; L72-T90 HydrophobicContact CB-CG2 3.9Å; L72-T90 PolarHBondContact N-OG1 2.57Å; L72-T90 PolarHBondContact O-N 2.88Å; N74-T90 WeakPolarHBondContact ND2-CG2 3.29Å; T90-G92 PolarHBondContact O-N 3.23Å; T90-I117 HydrophobicContact CG2-CG2 3.93Å |
| 91 | D | 91.6 | Very high | 92.8 | Very high | 63 Ų | 63 | 24.5 Ų | 24.5 | 34% | 0.337 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 9.4 | 170.9 | 72.9 | -5 | 0 | 0 | 0 | 113.5 | C89 T93 K95 | C89-D91 VanDerWaalsContact CB-OD1 3.25Å; C89-D91 WeakPolarHBondContact CB-OD1 3.39Å; C89-D91 PolarHBondContact O-N 2.74Å; C89-D91 VanDerWaalsContact SG-CG 3.52Å; C89-D91 PolarHBondContact SG-OD1 3.47Å; C89-D91 VanDerWaalsContact SG-OD1 3.38Å; D91-T93 WeakPolarHBondContact OD1-CB 3.32Å; D91-T93 PolarHBondContact OD1-N 3.36Å; D91-T93 VanDerWaalsContact OD1-N 3.16Å; D91-T93 PolarHBondContact OD1-OG1 2.86Å; D91-K95 IonicContact OD1-NZ 2.82Å; D91-K95 PolarHBondContact OD1-NZ 2.78Å; D91-K95 WeakPolarHBondContact OD2-CE 3.23Å; D91-K95 IonicContact OD2-NZ 3.52Å; D91-K95 PolarHBondContact OD2-NZ 3.45Å |
| 92 | G | 93 | Very high | 92.5 | Very high | 8 Ų | 8 | 23.9 Ų | 23.9 | 8% | 0.082 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.3 | 25 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | C89 T90 G112 N116 F118 | C89-G92 PolarHBondContact O-N 2.84Å; T90-G92 PolarHBondContact O-N 3.23Å; G92-G112 PolarHBondContact O-N 3.26Å; G92-N116 WeakPolarHBondContact CA-O 3.48Å; G92-F118 WeakPolarHBondContact O-CE2 2.81Å |
| 93 | T | 94.8 | Very high | 92.2 | Very high | 13 Ų | 13 | 27.1 Ų | 27.1 | 8% | 0.08 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 151.4 | 176.6 | 71.7 | 0 | 0 | 0 | 0 | 113.5 | C89 D91 K95 L109 F110 K111 | C89-T93 WeakPolarHBondContact CB-O 3.12Å; C89-T93 PolarHBondContact N-O 2.89Å; D91-T93 WeakPolarHBondContact OD1-CB 3.32Å; D91-T93 PolarHBondContact OD1-N 3.36Å; D91-T93 VanDerWaalsContact OD1-N 3.16Å; D91-T93 PolarHBondContact OD1-OG1 2.86Å; T93-K95 VanDerWaalsContact OG1-CE 3.27Å; T93-K95 WeakPolarHBondContact OG1-CE 3.39Å; T93-L109 HydrophobicContact CG2-CD1 3.92Å; T93-L109 HydrophobicContact CG2-CG 4.32Å; T93-F110 CarbonylContact C-O 3.53Å; T93-F110 WeakPolarHBondContact CA-O 3.03Å; T93-F110 WeakPolarHBondContact CB-O 3.37Å; T93-K111 HydrophobicContact CG2-CG 4.42Å |
| 94 | V | 96.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 139.5 | 157 | -177 | 0 | 0 | 0 | 0 | 107.7 | S87 A88 F110 F121 I130 W146 | S87-V94 WeakPolarHBondContact O-CA 3.34Å; A88-V94 HydrophobicContact CB-CG2 4.12Å; V94-F110 HydrophobicContact CB-CB 4.04Å; V94-F110 HydrophobicContact CB-CD2 4.08Å; V94-F110 HydrophobicContact CB-CG 4.43Å; V94-F110 HydrophobicContact CG1-CD2 4.18Å; V94-F110 PolarHBondContact N-O 2.95Å; V94-F110 WeakPolarHBondContact O-CD2 3.26Å; V94-F110 PolarHBondContact O-N 3.36Å; V94-F121 HydrophobicContact CG1-CD2 4.28Å; V94-F121 HydrophobicContact CG2-CB 4.5Å; V94-I130 HydrophobicContact CG1-CG2 4.29Å; V94-W146 HydrophobicContact CG2-CH2 4.21Å; V94-W146 HydrophobicContact CG2-CZ3 4.19Å |
| 95 | K | 94.8 | Very high | 91.5 | Very high | 7 Ų | 7 | 41.7 Ų | 41.7 | 3% | 0.03 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 140.2 | -175.4 | -66.6 | 172.4 | -179.1 | 128.9 | 0 | 109.9 | Y86 S87 C89 D91 T93 W97 P106 L109 | Y86-K95 CarbonylContact C-O 3.57Å; Y86-K95 VanDerWaalsContact CA-O 3.22Å; Y86-K95 WeakPolarHBondContact CA-O 3.44Å; S87-K95 PolarHBondContact N-O 2.83Å; S87-K95 PolarHBondContact O-N 2.79Å; C89-K95 PolarHBondContact SG-NZ 3.45Å; D91-K95 IonicContact OD1-NZ 2.82Å; D91-K95 PolarHBondContact OD1-NZ 2.78Å; D91-K95 WeakPolarHBondContact OD2-CE 3.23Å; D91-K95 IonicContact OD2-NZ 3.52Å; D91-K95 PolarHBondContact OD2-NZ 3.45Å; T93-K95 VanDerWaalsContact OG1-CE 3.27Å; T93-K95 WeakPolarHBondContact OG1-CE 3.39Å; K95-W97 HydrophobicContact CB-CZ2 3.68Å; K95-W97 HydrophobicContact CD-CH2 4.21Å; K95-W97 HydrophobicContact CD-CZ2 3.67Å; K95-W97 HydrophobicContact CG-CZ2 4.22Å; K95-P106 HydrophobicContact CB-CB 4.11Å; K95-P106 HydrophobicContact CG-CB 4.48Å; K95-P106 HydrophobicContact CG-CG 4.38Å; K95-L109 HydrophobicContact CG-CD1 3.73Å |
| 96 | C | 94.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 137 | 173.1 | -177.8 | 0 | 0 | 0 | 0 | 110.7 | V85 Y86 P106 V107 Q108 F110 | V85-C96 CarbonylContact O-C 3.47Å; V85-C96 WeakPolarHBondContact O-CA 3.33Å; Y86-C96 HydrophobicContact CD1-CB 3.65Å; Y86-C96 HydrophobicContact CE1-CB 3.45Å; Y86-C96 VanDerWaalsContact CE1-CB 3.45Å; Y86-C96 WeakPolarHBondContact CE1-SG 3.24Å; C96-P106 CarbonylContact O-C 3.49Å; C96-P106 WeakPolarHBondContact O-CA 3.42Å; C96-P106 WeakPolarHBondContact O-CB 3.35Å; C96-V107 HydrophobicContact CB-CG2 4.09Å; C96-V107 WeakPolarHBondContact O-CG2 3.43Å; C96-V107 PolarHBondContact O-N 2.93Å; C96-Q108 HydrophobicContact CB-CB 3.88Å; C96-Q108 PolarHBondContact N-O 2.83Å; C96-F110 HydrophobicContact CB-CE2 4.07Å |
| 97 | W | 93.2 | Very high | 91.1 | Very high | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.008 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 142.2 | -176.9 | -48.6 | 96.4 | 0 | 0 | 0 | 109.9 | F66 Y69 S84 V85 S87 K95 A99 K105 P106 | F66-W97 HydrophobicContact CB-CD2 4.27Å; F66-W97 HydrophobicContact CB-CE3 4.23Å; F66-W97 HydrophobicContact CD1-CD2 4.33Å; F66-W97 AromaticContact CD1-CE3 3.88Å; F66-W97 HydrophobicContact CD1-CE3 3.88Å; F66-W97 HydrophobicContact CD2-CB 4.02Å; F66-W97 HydrophobicContact CD2-CD2 4.3Å; F66-W97 AromaticContact CD2-CG 3.99Å; F66-W97 HydrophobicContact CD2-CG 3.99Å; F66-W97 HydrophobicContact CE1-CB 4.28Å; F66-W97 HydrophobicContact CE1-CE3 4.4Å; F66-W97 HydrophobicContact CE2-CB 3.7Å; F66-W97 HydrophobicContact CE2-CG 4.18Å; F66-W97 HydrophobicContact CG-CB 4.46Å; F66-W97 HydrophobicContact CG-CD2 4.05Å; F66-W97 HydrophobicContact CG-CE3 4.01Å; F66-W97 HydrophobicContact CG-CG 4.23Å; F66-W97 HydrophobicContact CZ-CB 3.85Å; Y69-W97 HydrophobicContact CD1-CH2 4.17Å; Y69-W97 HydrophobicContact CD2-CH2 4.25Å; Y69-W97 HydrophobicContact CD2-CZ2 4.29Å; Y69-W97 AromaticContact CE1-CH2 3.4Å; Y69-W97 HydrophobicContact CE1-CH2 3.4Å; Y69-W97 HydrophobicContact CE1-CZ2 4.29Å; Y69-W97 HydrophobicContact CE1-CZ3 4.09Å; Y69-W97 AromaticContact CE2-CH2 3.47Å; Y69-W97 HydrophobicContact CE2-CH2 3.47Å; Y69-W97 VanDerWaalsContact CE2-CH2 3.47Å; Y69-W97 AromaticContact CE2-CZ2 3.75Å; Y69-W97 HydrophobicContact CE2-CZ2 3.75Å; Y69-W97 HydrophobicContact CE2-CZ3 4.18Å; Y69-W97 AromaticContact CZ-CH2 3.01Å; Y69-W97 AromaticContact CZ-CZ2 3.8Å; Y69-W97 AromaticContact CZ-CZ3 3.52Å; Y69-W97 WeakPolarHBondContact OH-CH2 3.37Å; Y69-W97 WeakPolarHBondContact OH-CZ3 3.4Å; S84-W97 CarbonylContact C-O 3.55Å; S84-W97 VanDerWaalsContact CA-O 3.23Å; S84-W97 WeakPolarHBondContact CA-O 3.39Å; V85-W97 PolarHBondContact N-O 3.29Å; V85-W97 PolarHBondContact O-N 2.72Å; S87-W97 PolarHBondContact OG-NE1 3.42Å; K95-W97 HydrophobicContact CB-CZ2 3.68Å; K95-W97 HydrophobicContact CD-CH2 4.21Å; K95-W97 HydrophobicContact CD-CZ2 3.67Å; K95-W97 HydrophobicContact CG-CZ2 4.22Å; W97-A99 PolarHBondContact O-N 3.38Å; W97-K105 VanDerWaalsContact CZ3-C 3.49Å; W97-P106 HydrophobicContact CD2-CB 4.31Å; W97-P106 HydrophobicContact CE3-CB 4.05Å; W97-P106 HydrophobicContact CH2-CB 3.75Å; W97-P106 HydrophobicContact CH2-CG 4.04Å; W97-P106 HydrophobicContact CZ2-CB 4.14Å; W97-P106 VanDerWaalsContact CZ3-CA 3.5Å; W97-P106 HydrophobicContact CZ3-CB 3.76Å; W97-P106 HydrophobicContact CZ3-CG 4.29Å |
| 98 | D | 91.8 | Very high | 90.9 | Very high | 21 Ų | 21 | 43.3 Ų | 43.3 | 11% | 0.112 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 107.8 | 167.6 | -175.2 | -20.6 | 0 | 0 | 0 | 108.7 | R100 V101 V107 | D98-R100 PolarHBondContact O-N 3.44Å; D98-R100 VanDerWaalsContact O-N 3.08Å; D98-R100 VanDerWaalsContact OD1-CB 3.24Å; D98-R100 WeakPolarHBondContact OD1-CB 3.33Å; D98-R100 WeakPolarHBondContact OD1-CG 3.27Å; D98-R100 IonicContact OD1-CZ 3.41Å; D98-R100 PolarHBondContact OD1-N 3.41Å; D98-R100 IonicContact OD1-NE 3.26Å; D98-R100 PolarHBondContact OD1-NE 2.94Å; D98-R100 IonicContact OD1-NH2 2.65Å; D98-R100 IonicContact OD2-CZ 3.8Å; D98-R100 IonicContact OD2-NE 2.68Å; D98-R100 PolarHBondContact OD2-NE 3.31Å; D98-R100 IonicContact OD2-NH2 2.79Å; D98-R100 PolarHBondContact OD2-NH2 3.33Å; D98-V101 PolarHBondContact O-N 2.94Å; D98-V107 HydrophobicContact CB-CG1 4.06Å |
| 99 | A | 92.6 | Very high | 90.9 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.008 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -15.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | L42 I54 F78 D83 V85 W97 | L42-A99 HydrophobicContact CD1-CB 3.82Å; I54-A99 HydrophobicContact CD1-CB 4.23Å; I54-A99 HydrophobicContact CG1-CB 4.25Å; I54-A99 HydrophobicContact CG2-CB 4.36Å; F78-A99 HydrophobicContact CE1-CB 4.06Å; D83-A99 HydrophobicContact CB-CB 4.35Å; D83-A99 WeakPolarHBondContact O-CB 3.08Å; D83-A99 PolarHBondContact O-N 3.44Å; V85-A99 HydrophobicContact CG2-CB 3.96Å; W97-A99 PolarHBondContact O-N 3.38Å |
| 100 | R | 88.4 | Confident | 91.1 | Very high | 144 Ų | 144 | 45 Ų | 45 | 54% | 0.543 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -27.1 | -179.6 | -54 | 168.3 | -63.2 | -176.3 | 2.8 | 111.6 | R64 D83 D98 | R64-R100 PolarHBondContact NE-O 3.49Å; R64-R100 PolarHBondContact NH2-O 3.06Å; D83-R100 HydrophobicContact CB-CG 3.97Å; D98-R100 PolarHBondContact O-N 3.44Å; D98-R100 VanDerWaalsContact O-N 3.08Å; D98-R100 VanDerWaalsContact OD1-CB 3.24Å; D98-R100 WeakPolarHBondContact OD1-CB 3.33Å; D98-R100 WeakPolarHBondContact OD1-CG 3.27Å; D98-R100 IonicContact OD1-CZ 3.41Å; D98-R100 PolarHBondContact OD1-N 3.41Å; D98-R100 IonicContact OD1-NE 3.26Å; D98-R100 PolarHBondContact OD1-NE 2.94Å; D98-R100 IonicContact OD1-NH2 2.65Å; D98-R100 IonicContact OD2-CZ 3.8Å; D98-R100 IonicContact OD2-NE 2.68Å; D98-R100 PolarHBondContact OD2-NE 3.31Å; D98-R100 IonicContact OD2-NH2 2.79Å; D98-R100 PolarHBondContact OD2-NH2 3.33Å |
| 101 | V | 87.3 | Confident | 91.2 | Very high | 62 Ų | 62 | 47.7 Ų | 47.7 | 38% | 0.376 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -125.2 | 127.2 | -171.1 | -170.9 | 0 | 0 | 0 | 0 | 110.9 | D98 R103 | D98-V101 PolarHBondContact O-N 2.94Å; V101-R103 HydrophobicContact CB-CG 4.27Å; V101-R103 HydrophobicContact CG1-CG 3.85Å; V101-R103 PolarHBondContact O-N 2.66Å |
| 102 | A | 83.6 | Confident | 91.3 | Very high | 67 Ų | 67 | 45.5 Ų | 45.5 | 55% | 0.554 | 23% | 0.226 | S | C | * | . | trans | -69.4 | 106.2 | 169 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 103 | R | 82.3 | Confident | 91.3 | Very high | 112 Ų | 112 | 50 Ų | 50 | 42% | 0.423 | 24% | 0.241 | S | C | . | . | trans | -121.7 | 141.5 | 173.4 | -63.1 | -174.3 | 179.4 | -143.9 | 1.3 | 109.1 | V101 K105 | V101-R103 HydrophobicContact CB-CG 4.27Å; V101-R103 HydrophobicContact CG1-CG 3.85Å; V101-R103 PolarHBondContact O-N 2.66Å; R103-K105 PolarHBondContact O-N 3.48Å | ||
| 104 | E | 82.6 | Confident | 91.1 | Very high | 171 Ų | 171 | 54.9 Ų | 54.9 | 80% | 0.799 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -75.6 | -14.8 | 173.4 | -64 | -177 | 168.2 | 0 | 0 | 112.9 | Y69 | Y69-E104 WeakPolarHBondContact CE1-O 3.5Å; Y69-E104 PolarHBondContact OH-O 3.38Å |
| 105 | K | 86.8 | Confident | 90.7 | Very high | 158 Ų | 158 | 59.3 Ų | 59.3 | 69% | 0.687 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -121.9 | 142.8 | -177 | -65.8 | -173.4 | -178.3 | -178.1 | 0 | 110.8 | W97 R103 | W97-K105 VanDerWaalsContact CZ3-C 3.49Å; R103-K105 PolarHBondContact O-N 3.48Å |
| 106 | P | 91 | Very high | 90.6 | Very high | 21 Ų | 21 | 59.8 Ų | 59.8 | 14% | 0.136 | 31% | 0.307 | C | S | . | . | trans | -67.8 | 148.3 | 176.7 | 29.5 | -34.1 | 0 | 0 | 0 | 110.5 | K95 C96 W97 Q108 L109 | K95-P106 HydrophobicContact CB-CB 4.11Å; K95-P106 HydrophobicContact CG-CB 4.48Å; K95-P106 HydrophobicContact CG-CG 4.38Å; C96-P106 CarbonylContact O-C 3.49Å; C96-P106 WeakPolarHBondContact O-CA 3.42Å; C96-P106 WeakPolarHBondContact O-CB 3.35Å; W97-P106 HydrophobicContact CD2-CB 4.31Å; W97-P106 HydrophobicContact CE3-CB 4.05Å; W97-P106 HydrophobicContact CH2-CB 3.75Å; W97-P106 HydrophobicContact CH2-CG 4.04Å; W97-P106 HydrophobicContact CZ2-CB 4.14Å; W97-P106 VanDerWaalsContact CZ3-CA 3.5Å; W97-P106 HydrophobicContact CZ3-CB 3.76Å; W97-P106 HydrophobicContact CZ3-CG 4.29Å; P106-Q108 WeakPolarHBondContact CB-O 3.44Å; P106-L109 HydrophobicContact CG-CD1 4.45Å | ||
| 107 | V | 91.4 | Very high | 90.6 | Very high | 20 Ų | 20 | 62 Ų | 62 | 12% | 0.121 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -76.2 | -25.8 | 176.4 | -66.5 | 0 | 0 | 0 | 0 | 112 | C96 D98 M150 S156 | C96-V107 HydrophobicContact CB-CG2 4.09Å; C96-V107 WeakPolarHBondContact O-CG2 3.43Å; C96-V107 PolarHBondContact O-N 2.93Å; D98-V107 HydrophobicContact CB-CG1 4.06Å; V107-M150 HydrophobicContact CG2-CE 3.85Å; V107-S156 WeakPolarHBondContact O-CA 3.01Å |
| 108 | Q | 92.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 147.7 | 165.9 | -62.3 | 173.8 | -57.8 | 0 | 0 | 110.5 | C96 P106 F110 A148 M150 T157 | C96-Q108 HydrophobicContact CB-CB 3.88Å; C96-Q108 PolarHBondContact N-O 2.83Å; P106-Q108 WeakPolarHBondContact CB-O 3.44Å; Q108-F110 HydrophobicContact CB-CE2 3.91Å; Q108-F110 HydrophobicContact CB-CZ 3.9Å; Q108-A148 PolarHBondContact NE2-O 2.87Å; Q108-A148 PolarHBondContact OE1-O 2.81Å; Q108-M150 HydrophobicContact CG-CE 3.47Å; Q108-M150 VanDerWaalsContact CG-CE 3.47Å; Q108-M150 HydrophobicContact CG-SD 3.44Å; Q108-M150 WeakPolarHBondContact CG-SD 3.3Å; Q108-M150 PolarHBondContact NE2-SD 3.2Å; Q108-T157 WeakPolarHBondContact CA-O 3.16Å |
| 109 | L | 94.1 | Very high | 91 | Very high | 35 Ų | 35 | 62.5 Ų | 62.5 | 18% | 0.183 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 121.5 | 175.8 | -175.2 | 71.4 | 0 | 0 | 0 | 108.9 | T93 K95 P106 K111 T157 T158 K159 | T93-L109 HydrophobicContact CG2-CD1 3.92Å; T93-L109 HydrophobicContact CG2-CG 4.32Å; K95-L109 HydrophobicContact CG-CD1 3.73Å; P106-L109 HydrophobicContact CG-CD1 4.45Å; L109-K111 HydrophobicContact CD2-CG 4.4Å; L109-T157 PolarHBondContact N-O 2.78Å; L109-T158 CarbonylContact O-C 3.57Å; L109-T158 VanDerWaalsContact O-CA 3.24Å; L109-T158 WeakPolarHBondContact O-CA 3.3Å; L109-K159 PolarHBondContact O-N 3.13Å |
| 110 | F | 96.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 110.3 | 178.1 | -54.2 | -86.4 | 0 | 0 | 0 | 108.2 | Y86 T93 V94 C96 Q108 I130 W146 A148 K159 | Y86-F110 HydrophobicContact CD1-CE2 4Å; Y86-F110 AromaticContact CE1-CE2 3.76Å; Y86-F110 HydrophobicContact CE1-CE2 3.76Å; Y86-F110 HydrophobicContact CE1-CZ 4.02Å; T93-F110 CarbonylContact C-O 3.53Å; T93-F110 WeakPolarHBondContact CA-O 3.03Å; T93-F110 WeakPolarHBondContact CB-O 3.37Å; V94-F110 HydrophobicContact CB-CB 4.04Å; V94-F110 HydrophobicContact CB-CD2 4.08Å; V94-F110 HydrophobicContact CB-CG 4.43Å; V94-F110 HydrophobicContact CG1-CD2 4.18Å; V94-F110 PolarHBondContact N-O 2.95Å; V94-F110 WeakPolarHBondContact O-CD2 3.26Å; V94-F110 PolarHBondContact O-N 3.36Å; C96-F110 HydrophobicContact CB-CE2 4.07Å; Q108-F110 HydrophobicContact CB-CE2 3.91Å; Q108-F110 HydrophobicContact CB-CZ 3.9Å; F110-I130 HydrophobicContact CD1-CD1 4.29Å; F110-I130 HydrophobicContact CD2-CD1 3.93Å; F110-I130 HydrophobicContact CE1-CD1 3.87Å; F110-I130 HydrophobicContact CE2-CD1 3.49Å; F110-I130 VanDerWaalsContact CE2-CD1 3.49Å; F110-I130 HydrophobicContact CG-CD1 4.33Å; F110-I130 HydrophobicContact CZ-CD1 3.44Å; F110-I130 VanDerWaalsContact CZ-CD1 3.44Å; F110-W146 HydrophobicContact CB-CD2 3.97Å; F110-W146 HydrophobicContact CB-CG 3.88Å; F110-W146 HydrophobicContact CD1-CB 3.57Å; F110-W146 AromaticContact CD1-CG 3.83Å; F110-W146 HydrophobicContact CD1-CG 3.83Å; F110-W146 HydrophobicContact CE1-CB 4.22Å; F110-W146 HydrophobicContact CG-CB 4.37Å; F110-W146 HydrophobicContact CG-CG 4.25Å; F110-A148 HydrophobicContact CZ-CB 4.42Å; F110-K159 HydrophobicContact CD1-CB 3.63Å; F110-K159 HydrophobicContact CD1-CG 3.86Å; F110-K159 HydrophobicContact CE1-CB 4.07Å; F110-K159 HydrophobicContact CE1-CG 3.77Å; F110-K159 HydrophobicContact CG-CB 4.48Å |
| 111 | K | 95.4 | Very high | 91.7 | Very high | 96 Ų | 96 | 56 Ų | 56 | 42% | 0.417 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 135.4 | -178.3 | -71.9 | -179.2 | 179.1 | 173.7 | 0 | 110.1 | T93 L109 W146 T158 K159 P161 | T93-K111 HydrophobicContact CG2-CG 4.42Å; L109-K111 HydrophobicContact CD2-CG 4.4Å; K111-W146 PolarHBondContact O-NE1 3.32Å; K111-T158 HydrophobicContact CD-CG2 3.51Å; K111-T158 VanDerWaalsContact CE-CG2 3.41Å; K111-T158 HydrophobicContact CG-CG2 3.82Å; K111-K159 PolarHBondContact N-O 3.13Å; K111-P161 VanDerWaalsContact O-CD 3.23Å; K111-P161 WeakPolarHBondContact O-CD 3.21Å; K111-P161 VanDerWaalsContact O-CG 3.25Å; K111-P161 WeakPolarHBondContact O-CG 3.46Å |
| 112 | G | 94 | Very high | 92.3 | Very high | 18 Ų | 18 | 53.8 Ų | 53.8 | 19% | 0.186 | 28% | 0.283 | C | S | . | . | trans | -80.9 | -174.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | G92 | G92-G112 PolarHBondContact O-N 3.26Š| ||
| 113 | Y | 93.2 | Very high | 92.9 | Very high | 101 Ų | 101 | 51 Ų | 51 | 40% | 0.396 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -71.9 | 163 | 168.4 | -61.9 | -76.5 | 0 | 0 | 0 | 110.9 | S115 N116 L142 V144 P161 A164 | Y113-S115 PolarHBondContact O-N 2.84Å; Y113-N116 PolarHBondContact N-ND2 2.83Å; Y113-N116 WeakPolarHBondContact O-CB 3.48Å; Y113-N116 PolarHBondContact O-N 3.35Å; Y113-L142 HydrophobicContact CD2-CD1 4.27Å; Y113-V144 HydrophobicContact CD2-CG1 4.44Å; Y113-V144 HydrophobicContact CD2-CG2 4.35Å; Y113-V144 HydrophobicContact CE2-CG1 4.12Å; Y113-V144 HydrophobicContact CE2-CG2 4.49Å; Y113-P161 HydrophobicContact CD2-CG 4.43Å; Y113-P161 HydrophobicContact CE1-CG 4.36Å; Y113-P161 HydrophobicContact CE2-CB 4.03Å; Y113-P161 HydrophobicContact CE2-CG 4.03Å; Y113-A164 HydrophobicContact CE2-CB 3.88Å |
| 114 | P | 89.9 | Confident | 93.7 | Very high | 117 Ų | 117 | 45.8 Ų | 45.8 | 76% | 0.76 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 139.1 | 176.2 | -25.9 | 35.5 | 0 | 0 | 0 | 111.8 | N116 | P114-N116 PolarHBondContact O-N 3.05Š|
| 115 | S | 89.3 | Confident | 94.3 | Very high | 92 Ų | 92 | 39.4 Ų | 39.4 | 64% | 0.643 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.3 | -4.3 | -179.5 | -48.6 | 0 | 0 | 0 | 0 | 116.6 | Y113 I117 | Y113-S115 PolarHBondContact O-N 2.84Å; S115-I117 PolarHBondContact O-N 3.25Å |
| 116 | N | 92.4 | Very high | 94.8 | Very high | 18 Ų | 18 | 34.7 Ų | 34.7 | 10% | 0.096 | 20% | 0.195 | C | C | . | . | trans | -59.6 | 137.1 | 175.2 | -73.6 | 16.3 | 0 | 0 | 0 | 111.5 | G92 Y113 P114 F118 T134 | G92-N116 WeakPolarHBondContact CA-O 3.48Å; Y113-N116 PolarHBondContact N-ND2 2.83Å; Y113-N116 WeakPolarHBondContact O-CB 3.48Å; Y113-N116 PolarHBondContact O-N 3.35Å; P114-N116 PolarHBondContact O-N 3.05Å; N116-F118 HydrophobicContact CB-CE2 4.26Å; N116-F118 HydrophobicContact CB-CZ 4.1Å; N116-T134 HydrophobicContact CB-CG2 4.14Å | ||
| 117 | I | 95.3 | Very high | 95 | Very high | 47 Ų | 47 | 34.2 Ų | 34.2 | 24% | 0.241 | 19% | 0.192 | C | C | . | . | trans | -122.6 | 111.3 | 172.2 | -62.1 | 173.3 | 0 | 0 | 0 | 106.8 | T90 S115 I119 T134 E135 | T90-I117 HydrophobicContact CG2-CG2 3.93Å; S115-I117 PolarHBondContact O-N 3.25Å; I117-I119 HydrophobicContact CG2-CG2 4.4Å; I117-T134 CarbonylContact O-C 3.45Å; I117-T134 WeakPolarHBondContact O-CA 3.2Å; I117-T134 WeakPolarHBondContact O-CB 3.5Å; I117-E135 HydrophobicContact CB-CB 4.25Å; I117-E135 HydrophobicContact CG2-CB 4.46Å; I117-E135 HydrophobicContact CG2-CG 4.2Å; I117-E135 PolarHBondContact O-N 3.03Å | ||
| 118 | F | 96.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 123.9 | -179.1 | -65.7 | -67.6 | 0 | 0 | 0 | 111.7 | N74 A88 G92 N116 T134 V144 W146 | N74-F118 PolarHBondContact ND2-O 3.35Å; A88-F118 HydrophobicContact CB-CB 3.83Å; G92-F118 WeakPolarHBondContact O-CE2 2.81Å; N116-F118 HydrophobicContact CB-CE2 4.26Å; N116-F118 HydrophobicContact CB-CZ 4.1Å; F118-T134 HydrophobicContact CD1-CG2 3.7Å; F118-T134 HydrophobicContact CE1-CG2 3.46Å; F118-T134 VanDerWaalsContact CE1-CG2 3.46Å; F118-T134 HydrophobicContact CZ-CG2 4.29Å; F118-V144 HydrophobicContact CE1-CB 3.95Å; F118-V144 HydrophobicContact CE1-CG2 3.83Å; F118-V144 HydrophobicContact CZ-CB 4.13Å; F118-V144 HydrophobicContact CZ-CG1 4.47Å; F118-V144 HydrophobicContact CZ-CG2 4.06Å; F118-W146 HydrophobicContact CD1-CH2 4.28Å; F118-W146 AromaticContact CE1-CH2 3.51Å; F118-W146 HydrophobicContact CE1-CH2 3.51Å; F118-W146 HydrophobicContact CE1-CZ2 4.21Å; F118-W146 AromaticContact CE2-CH2 3.82Å; F118-W146 HydrophobicContact CE2-CH2 3.82Å; F118-W146 AromaticContact CE2-CZ2 3.9Å; F118-W146 HydrophobicContact CE2-CZ2 3.9Å; F118-W146 AromaticContact CZ-CH2 3.25Å; F118-W146 HydrophobicContact CZ-CH2 3.25Å; F118-W146 AromaticContact CZ-CZ2 3.49Å; F118-W146 HydrophobicContact CZ-CZ2 3.49Å; F118-W146 VanDerWaalsContact CZ-CZ2 3.49Å |
| 119 | I | 96.4 | Very high | 95.5 | Very high | 32 Ų | 32 | 38.5 Ų | 38.5 | 16% | 0.164 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | -8.5 | -180 | 53.7 | 163.9 | 0 | 0 | 0 | 113.6 | N74 I117 G133 E135 D172 V173 | N74-I119 WeakPolarHBondContact CB-O 3.32Å; I117-I119 HydrophobicContact CG2-CG2 4.4Å; I119-G133 PolarHBondContact N-O 2.99Å; I119-E135 HydrophobicContact CB-CG 4.43Å; I119-E135 HydrophobicContact CD1-CG 3.84Å; I119-E135 HydrophobicContact CG1-CG 4.17Å; I119-E135 HydrophobicContact CG2-CG 3.51Å; I119-E135 WeakPolarHBondContact CG2-OE1 3.16Å; I119-D172 HydrophobicContact CD1-CB 3.77Å; I119-V173 WeakPolarHBondContact CG1-O 3.48Å |
| 120 | S | 97.3 | Very high | 95.7 | Very high | 4 Ų | 4 | 36.8 Ų | 36.8 | 3% | 0.028 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 156.1 | 171.7 | 66.2 | 0 | 0 | 0 | 0 | 110.1 | G132 G133 V173 T174 | S120-G132 CarbonylContact O-C 3.51Å; S120-G132 WeakPolarHBondContact O-CA 3.46Å; S120-G133 PolarHBondContact N-O 3.14Å; S120-G133 PolarHBondContact O-N 3.33Å; S120-G133 WeakPolarHBondContact OG-CA 3.22Å; S120-V173 WeakPolarHBondContact CB-O 3.15Å; S120-V173 PolarHBondContact OG-O 2.93Å; S120-T174 WeakPolarHBondContact CB-O 3.39Å |
| 121 | F | 98.4 | Very high | 95.8 | Very high | 4 Ų | 4 | 36.8 Ų | 36.8 | 2% | 0.018 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.2 | 165.4 | 170.1 | 78.8 | -75 | 0 | 0 | 0 | 110.8 | N74 R77 Y86 A88 V94 I130 C131 | N74-F121 WeakPolarHBondContact O-CD1 3.35Å; N74-F121 WeakPolarHBondContact O-CE1 3.42Å; R77-F121 HydrophobicContact CB-CE2 3.95Å; R77-F121 HydrophobicContact CB-CZ 4.02Å; R77-F121 HydrophobicContact CG-CE2 4.04Å; R77-F121 HydrophobicContact CG-CZ 3.98Å; Y86-F121 VanDerWaalsContact C-CZ 3.48Å; Y86-F121 VanDerWaalsContact CB-CE2 3.48Å; Y86-F121 VanDerWaalsContact O-CZ 3.3Å; Y86-F121 WeakPolarHBondContact O-CZ 3.22Å; A88-F121 HydrophobicContact CB-CB 4.11Å; A88-F121 HydrophobicContact CB-CD1 3.37Å; A88-F121 HydrophobicContact CB-CE1 4.11Å; A88-F121 HydrophobicContact CB-CG 3.97Å; A88-F121 VanDerWaalsContact N-CD1 3.34Å; V94-F121 HydrophobicContact CG1-CD2 4.28Å; V94-F121 HydrophobicContact CG2-CB 4.5Å; F121-I130 HydrophobicContact CD2-CG2 4.5Å; F121-C131 CarbonylContact C-O 3.57Å; F121-C131 WeakPolarHBondContact CA-O 3.14Å; F121-C131 VanDerWaalsContact CB-O 3.31Å; F121-C131 WeakPolarHBondContact CB-O 3.35Å |
| 122 | D | 98.5 | Very high | 96 | Very high | 17 Ų | 17 | 32.2 Ų | 32.2 | 9% | 0.091 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 167.4 | 164 | -155.3 | 15.3 | 0 | 0 | 0 | 111.7 | I130 C131 V176 R177 F178 | D122-I130 WeakPolarHBondContact O-CA 3.3Å; D122-C131 PolarHBondContact N-O 3.14Å; D122-C131 PolarHBondContact O-N 2.92Å; D122-V176 HydrophobicContact CB-CG1 4.24Å; D122-R177 VanDerWaalsContact OD2-CA 3.29Å; D122-R177 WeakPolarHBondContact OD2-CA 3.5Å; D122-F178 HydrophobicContact CB-CD2 3.91Å; D122-F178 WeakPolarHBondContact O-CE2 3.18Å; D122-F178 PolarHBondContact OD2-N 2.83Å |
| 123 | I | 98 | Very high | 96.2 | Very high | 8 Ų | 8 | 31.4 Ų | 31.4 | 4% | 0.041 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 137.6 | 173.1 | -171.4 | 169.3 | 0 | 0 | 0 | 110.2 | Y86 D127 I129 I130 A148 | Y86-I123 HydrophobicContact CD2-CD1 4.04Å; Y86-I123 HydrophobicContact CD2-CG2 4.45Å; Y86-I123 HydrophobicContact CE1-CD1 4.42Å; Y86-I123 HydrophobicContact CE2-CD1 3.37Å; I123-D127 HydrophobicContact CD1-CB 3.99Å; I123-I129 WeakPolarHBondContact CA-O 3.25Å; I123-I130 HydrophobicContact CB-CG1 4.11Å; I123-I130 HydrophobicContact CD1-CG1 4.08Å; I123-I130 HydrophobicContact CG1-CG1 3.96Å; I123-A148 HydrophobicContact CD1-CB 4.06Å |
| 124 | N | 97.8 | Very high | 96.4 | Very high | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.011 | 16% | 0.155 | C | C | . | . | trans | -72 | 163.7 | -176 | 76.7 | -16.8 | 0 | 0 | 0 | 112.9 | N80 N126 D127 H128 I129 F178 P183 | N80-N124 PolarHBondContact ND2-O 2.85Å; N80-N124 VanDerWaalsContact ND2-O 3.14Å; N124-N126 PolarHBondContact ND2-OD1 2.97Å; N124-N126 PolarHBondContact O-N 2.83Å; N124-N126 PolarHBondContact OD1-OD1 3Å; N124-D127 PolarHBondContact O-N 2.87Å; N124-D127 PolarHBondContact OD1-N 3.11Å; N124-H128 PolarHBondContact OD1-N 2.88Å; N124-I129 PolarHBondContact N-O 2.95Å; N124-I129 PolarHBondContact OD1-N 2.83Å; N124-I129 PolarHBondContact OD1-O 2.81Å; N124-F178 VanDerWaalsContact CA-CG 3.47Å; N124-F178 HydrophobicContact CB-CB 4.06Å; N124-F178 HydrophobicContact CB-CD1 3.45Å; N124-F178 VanDerWaalsContact CB-CD1 3.45Å; N124-F178 HydrophobicContact CB-CD2 3.88Å; N124-F178 HydrophobicContact CB-CE1 3.76Å; N124-F178 HydrophobicContact CB-CE2 4.15Å; N124-F178 HydrophobicContact CB-CG 3.51Å; N124-F178 HydrophobicContact CB-CZ 4.1Å; N124-F178 VanDerWaalsContact N-CD2 3.28Å; N124-P183 PolarHBondContact ND2-O 3.09Å | ||
| 125 | C | 96.3 | Very high | 96.7 | Very high | 37 Ų | 37 | 24.4 Ų | 24.4 | 25% | 0.25 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -13.6 | -168.8 | 64.4 | 0 | 0 | 0 | 0 | 115.5 | P180 P183 | C125-P180 WeakPolarHBondContact CB-O 3.47Å; C125-P183 VanDerWaalsContact SG-N 3.43Å |
| 126 | N | 96.3 | Very high | 97 | Very high | 59 Ų | 59 | 23.8 Ų | 23.8 | 32% | 0.316 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 6.1 | 173.9 | 68.6 | 8.7 | 0 | 0 | 0 | 113.6 | N124 H128 P183 | N124-N126 PolarHBondContact ND2-OD1 2.97Å; N124-N126 PolarHBondContact O-N 2.83Å; N124-N126 PolarHBondContact OD1-OD1 3Å; N126-H128 VanDerWaalsContact C-N 3.26Å; N126-H128 PolarHBondContact O-CE1 3.02Å; N126-H128 PolarHBondContact O-N 2.74Å; N126-H128 PolarHBondContact O-ND1 2.74Å; N126-H128 VanDerWaalsContact OD1-CB 3.25Å; N126-H128 WeakPolarHBondContact OD1-CB 3.01Å; N126-H128 PolarHBondContact OD1-N 3.33Å; N126-H128 VanDerWaalsContact OD1-N 3.16Å; N126-P183 HydrophobicContact CB-CB 4.38Å; N126-P183 VanDerWaalsContact ND2-CB 3.27Å; N126-P183 WeakPolarHBondContact ND2-CB 3.45Å |
| 127 | D | 96.2 | Very high | 97 | Very high | 12 Ų | 12 | 24.9 Ų | 24.9 | 6% | 0.064 | 13% | 0.127 | C | C | . | . | S | Bend | trans | 58.3 | 29.6 | -178.7 | -55.1 | -36.1 | 0 | 0 | 0 | 114.8 | N80 S81 I123 N124 | N80-D127 WeakPolarHBondContact CB-OD1 2.93Å; N80-D127 VanDerWaalsContact N-CG 3.29Å; N80-D127 PolarHBondContact N-OD1 2.98Å; N80-D127 PolarHBondContact N-OD2 3.16Å; N80-D127 PolarHBondContact ND2-OD1 2.72Å; S81-D127 WeakPolarHBondContact CB-OD2 3.45Å; S81-D127 PolarHBondContact N-OD2 2.89Å; S81-D127 PolarHBondContact OG-OD2 3.48Å; I123-D127 HydrophobicContact CD1-CB 3.99Å; N124-D127 PolarHBondContact O-N 2.87Å; N124-D127 PolarHBondContact OD1-N 3.11Å |
| 128 | H | 96.4 | Very high | 96.5 | Very high | 77 Ų | 77 | 29.6 Ų | 29.6 | 36% | 0.356 | 15% | 0.153 | S | C | . | . | trans | -99.2 | -32.8 | -179.6 | -66 | 2.5 | 0 | 0 | 0 | 113 | N124 N126 D147 A148 R149 | N124-H128 PolarHBondContact OD1-N 2.88Å; N126-H128 VanDerWaalsContact C-N 3.26Å; N126-H128 PolarHBondContact O-CE1 3.02Å; N126-H128 PolarHBondContact O-N 2.74Å; N126-H128 PolarHBondContact O-ND1 2.74Å; N126-H128 VanDerWaalsContact OD1-CB 3.25Å; N126-H128 WeakPolarHBondContact OD1-CB 3.01Å; N126-H128 PolarHBondContact OD1-N 3.33Å; N126-H128 VanDerWaalsContact OD1-N 3.16Å; H128-D147 CarbonylContact O-C 3.56Å; H128-D147 WeakPolarHBondContact O-CA 3.36Å; H128-A148 PolarHBondContact O-N 2.8Å; H128-R149 HydrophobicContact CB-CG 4.19Å | ||
| 129 | I | 97.9 | Very high | 96 | Very high | 32 Ų | 32 | 36 Ų | 36 | 16% | 0.164 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 130.9 | -173.7 | -54.7 | -64.7 | 0 | 0 | 0 | 109.9 | I123 N124 F145 W146 L162 F178 I200 | I123-I129 WeakPolarHBondContact CA-O 3.25Å; N124-I129 PolarHBondContact N-O 2.95Å; N124-I129 PolarHBondContact OD1-N 2.83Å; N124-I129 PolarHBondContact OD1-O 2.81Å; I129-F145 HydrophobicContact CG2-CD1 4.09Å; I129-W146 WeakPolarHBondContact CA-O 3.4Å; I129-L162 HydrophobicContact CD1-CD1 3.74Å; I129-F178 HydrophobicContact CB-CZ 4.37Å; I129-F178 HydrophobicContact CG2-CZ 3.94Å; I129-I200 HydrophobicContact CB-CD1 4.33Å; I129-I200 HydrophobicContact CG1-CD1 4.29Å; I129-I200 HydrophobicContact CG2-CD1 3.96Å |
| 130 | I | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 140.8 | 164.5 | -68.7 | 159.9 | 0 | 0 | 0 | 107.8 | Y86 V94 F110 F121 D122 I123 F145 W146 A148 | Y86-I130 HydrophobicContact CD1-CD1 3.59Å; Y86-I130 HydrophobicContact CE1-CD1 3.49Å; Y86-I130 VanDerWaalsContact CE1-CD1 3.49Å; Y86-I130 HydrophobicContact CG-CD1 4.44Å; V94-I130 HydrophobicContact CG1-CG2 4.29Å; F110-I130 HydrophobicContact CD1-CD1 4.29Å; F110-I130 HydrophobicContact CD2-CD1 3.93Å; F110-I130 HydrophobicContact CE1-CD1 3.87Å; F110-I130 HydrophobicContact CE2-CD1 3.49Å; F110-I130 VanDerWaalsContact CE2-CD1 3.49Å; F110-I130 HydrophobicContact CG-CD1 4.33Å; F110-I130 HydrophobicContact CZ-CD1 3.44Å; F110-I130 VanDerWaalsContact CZ-CD1 3.44Å; F121-I130 HydrophobicContact CD2-CG2 4.5Å; D122-I130 WeakPolarHBondContact O-CA 3.3Å; I123-I130 HydrophobicContact CB-CG1 4.11Å; I123-I130 HydrophobicContact CD1-CG1 4.08Å; I123-I130 HydrophobicContact CG1-CG1 3.96Å; I130-F145 CarbonylContact O-C 3.53Å; I130-F145 VanDerWaalsContact O-CA 3.31Å; I130-F145 WeakPolarHBondContact O-CA 3.2Å; I130-W146 HydrophobicContact CB-CE3 4.27Å; I130-W146 HydrophobicContact CG2-CE3 3.9Å; I130-W146 HydrophobicContact CG2-CZ3 4.18Å; I130-W146 PolarHBondContact N-O 2.65Å; I130-W146 PolarHBondContact O-N 3.33Å; I130-A148 HydrophobicContact CD1-CB 3.79Å; I130-A148 HydrophobicContact CG1-CB 3.95Å |
| 131 | C | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 132.4 | 168.5 | 179.2 | 0 | 0 | 0 | 0 | 108.8 | F121 D122 V144 F145 V176 F178 | F121-C131 CarbonylContact C-O 3.57Å; F121-C131 WeakPolarHBondContact CA-O 3.14Å; F121-C131 VanDerWaalsContact CB-O 3.31Å; F121-C131 WeakPolarHBondContact CB-O 3.35Å; D122-C131 PolarHBondContact N-O 3.14Å; D122-C131 PolarHBondContact O-N 2.92Å; C131-V144 CarbonylContact C-O 3.53Å; C131-V144 VanDerWaalsContact CA-O 3.29Å; C131-V144 WeakPolarHBondContact CA-O 3.39Å; C131-F145 HydrophobicContact CB-CD1 3.71Å; C131-F145 HydrophobicContact CB-CE1 3.63Å; C131-F145 HydrophobicContact CB-CZ 4.49Å; C131-F145 WeakPolarHBondContact SG-CE1 3.49Å; C131-V176 HydrophobicContact CB-CG1 3.88Å; C131-F178 HydrophobicContact CB-CE2 3.63Å; C131-F178 HydrophobicContact CB-CZ 3.62Å |
| 132 | G | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 130.6 | 179 | 0 | 0 | 0 | 0 | 0 | 110.9 | S120 L143 V144 | S120-G132 CarbonylContact O-C 3.51Å; S120-G132 WeakPolarHBondContact O-CA 3.46Å; G132-L143 WeakPolarHBondContact O-CA 3.19Å; G132-V144 PolarHBondContact N-O 2.8Å; G132-V144 PolarHBondContact O-N 3.43Å |
| 133 | G | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 137.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | I119 S120 L142 | I119-G133 PolarHBondContact N-O 2.99Å; S120-G133 PolarHBondContact N-O 3.14Å; S120-G133 PolarHBondContact O-N 3.33Å; S120-G133 WeakPolarHBondContact OG-CA 3.22Å; G133-L142 WeakPolarHBondContact CA-O 3.37Å |
| 134 | T | 97.8 | Very high | 95.5 | Very high | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.018 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 159 | -178.7 | 71.4 | 0 | 0 | 0 | 0 | 113.5 | N116 I117 F118 L142 V144 V173 | N116-T134 HydrophobicContact CB-CG2 4.14Å; I117-T134 CarbonylContact O-C 3.45Å; I117-T134 WeakPolarHBondContact O-CA 3.2Å; I117-T134 WeakPolarHBondContact O-CB 3.5Å; F118-T134 HydrophobicContact CD1-CG2 3.7Å; F118-T134 HydrophobicContact CE1-CG2 3.46Å; F118-T134 VanDerWaalsContact CE1-CG2 3.46Å; F118-T134 HydrophobicContact CZ-CG2 4.29Å; T134-L142 HydrophobicContact CG2-CB 4.09Å; T134-L142 PolarHBondContact N-O 3.11Å; T134-L142 PolarHBondContact OG1-N 2.75Å; T134-V144 HydrophobicContact CG2-CG2 4.39Å; T134-V173 PolarHBondContact O-N 2.79Å |
| 135 | E | 96.4 | Very high | 95.5 | Very high | 68 Ų | 68 | 39.1 Ų | 39.1 | 32% | 0.318 | 20% | 0.203 | S | C | . | . | P | Polyproline II helix | trans | -61 | 155.6 | 153.4 | -75.9 | 175 | -166.4 | 0 | 0 | 109.3 | I117 I119 V137 D172 | I117-E135 HydrophobicContact CB-CB 4.25Å; I117-E135 HydrophobicContact CG2-CB 4.46Å; I117-E135 HydrophobicContact CG2-CG 4.2Å; I117-E135 PolarHBondContact O-N 3.03Å; I119-E135 HydrophobicContact CB-CG 4.43Å; I119-E135 HydrophobicContact CD1-CG 3.84Å; I119-E135 HydrophobicContact CG1-CG 4.17Å; I119-E135 HydrophobicContact CG2-CG 3.51Å; I119-E135 WeakPolarHBondContact CG2-OE1 3.16Å; E135-V137 PolarHBondContact O-N 2.78Å; E135-D172 WeakPolarHBondContact CA-OD1 3.42Å |
| 136 | K | 95.7 | Very high | 95.6 | Very high | 79 Ų | 79 | 37.3 Ų | 37.3 | 34% | 0.343 | 19% | 0.191 | S | C | . | . | P | Polyproline II helix | trans | -68.4 | 123 | 168.8 | -176.6 | 179.6 | -174.4 | 159.5 | 0 | 109.4 | D138 D140 A141 S170 D172 | K136-D138 WeakPolarHBondContact CE-O 3.36Å; K136-D140 WeakPolarHBondContact CA-O 3.08Å; K136-A141 HydrophobicContact CB-CB 4.38Å; K136-S170 WeakPolarHBondContact CD-O 3.42Å; K136-S170 PolarHBondContact NZ-O 3.47Å; K136-D172 PolarHBondContact N-OD1 2.75Å |
| 137 | V | 91.7 | Very high | 95.5 | Very high | 41 Ų | 41 | 36 Ų | 36 | 25% | 0.248 | 18% | 0.184 | C | C | . | . | B | Isolated β-bridge | trans | -120.8 | 123.4 | 171.5 | -179.4 | 0 | 0 | 0 | 0 | 107.8 | E135 D139 D140 | E135-V137 PolarHBondContact O-N 2.78Å; V137-D139 PolarHBondContact O-N 3.17Å; V137-D140 PolarHBondContact N-O 3.33Å; V137-D140 PolarHBondContact O-N 3.16Å; V137-D140 VanDerWaalsContact O-N 3.14Å |
| 138 | D | 86.6 | Confident | 95.5 | Very high | 147 Ų | 147 | 35.5 Ų | 35.5 | 79% | 0.786 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | -104.5 | -168.6 | -57.9 | -45.6 | 0 | 0 | 0 | 111.2 | K136 | K136-D138 WeakPolarHBondContact CE-O 3.36Š|
| 139 | D | 84.5 | Confident | 95.2 | Very high | 135 Ų | 135 | 38 Ų | 38 | 72% | 0.722 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -112.6 | -5.7 | -179.1 | -70.3 | -48.8 | 0 | 0 | 0 | 113.6 | V137 | V137-D139 PolarHBondContact O-N 3.17Š|
| 140 | D | 88.8 | Confident | 94.6 | Very high | 96 Ų | 96 | 41 Ų | 41 | 51% | 0.513 | 20% | 0.203 | S | C | . | . | B | Isolated β-bridge | trans | -110.9 | 132.9 | -171.6 | -60.5 | -40 | 0 | 0 | 0 | 112.1 | K136 V137 L142 | K136-D140 WeakPolarHBondContact CA-O 3.08Å; V137-D140 PolarHBondContact N-O 3.33Å; V137-D140 PolarHBondContact O-N 3.16Å; V137-D140 VanDerWaalsContact O-N 3.14Å; D140-L142 HydrophobicContact CB-CD2 4.12Å |
| 141 | A | 95.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 124.6 | 163 | 0 | 0 | 0 | 0 | 0 | 108.1 | K136 D171 V173 | K136-A141 HydrophobicContact CB-CB 4.38Å; A141-D171 VanDerWaalsContact CB-O 3.3Å; A141-D171 WeakPolarHBondContact CB-O 3.27Å; A141-V173 HydrophobicContact CB-CG2 4.19Å |
| 142 | L | 97.3 | Very high | 91.4 | Very high | 20 Ų | 20 | 52 Ų | 52 | 11% | 0.105 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 144.4 | -166.4 | -55 | -179.3 | 0 | 0 | 0 | 112 | Y113 G133 T134 D140 V144 Y165 S166 | Y113-L142 HydrophobicContact CD2-CD1 4.27Å; G133-L142 WeakPolarHBondContact CA-O 3.37Å; T134-L142 HydrophobicContact CG2-CB 4.09Å; T134-L142 PolarHBondContact N-O 3.11Å; T134-L142 PolarHBondContact OG1-N 2.75Å; D140-L142 HydrophobicContact CB-CD2 4.12Å; L142-V144 HydrophobicContact CB-CG2 3.84Å; L142-V144 HydrophobicContact CD1-CG2 4.35Å; L142-Y165 WeakPolarHBondContact CA-O 3.48Å; L142-S166 VanDerWaalsContact CD2-CB 3.48Å |
| 143 | L | 98.1 | Very high | 89.6 | Confident | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 117.2 | 152.1 | -64.7 | 171.6 | 0 | 0 | 0 | 108.1 | G132 F145 A164 Y165 T168 V173 V176 F198 | G132-L143 WeakPolarHBondContact O-CA 3.19Å; L143-F145 HydrophobicContact CB-CE2 4Å; L143-F145 HydrophobicContact CB-CZ 4.16Å; L143-A164 CarbonylContact O-C 3.53Å; L143-A164 WeakPolarHBondContact O-CA 3.24Å; L143-A164 VanDerWaalsContact O-CB 3.29Å; L143-A164 WeakPolarHBondContact O-CB 3.39Å; L143-Y165 HydrophobicContact CD1-CD2 4.11Å; L143-Y165 PolarHBondContact N-O 3.44Å; L143-Y165 PolarHBondContact O-N 2.89Å; L143-T168 HydrophobicContact CD1-CG2 3.94Å; L143-V173 HydrophobicContact CD2-CG1 3.69Å; L143-V176 HydrophobicContact CD2-CG2 3.59Å; L143-F198 HydrophobicContact CD1-CD2 4.32Å; L143-F198 HydrophobicContact CD1-CE2 3.88Å |
| 144 | V | 98.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 135.4 | -178.3 | -172.7 | 0 | 0 | 0 | 0 | 109.8 | Y113 F118 C131 G132 T134 L142 W146 P161 A164 | Y113-V144 HydrophobicContact CD2-CG1 4.44Å; Y113-V144 HydrophobicContact CD2-CG2 4.35Å; Y113-V144 HydrophobicContact CE2-CG1 4.12Å; Y113-V144 HydrophobicContact CE2-CG2 4.49Å; F118-V144 HydrophobicContact CE1-CB 3.95Å; F118-V144 HydrophobicContact CE1-CG2 3.83Å; F118-V144 HydrophobicContact CZ-CB 4.13Å; F118-V144 HydrophobicContact CZ-CG1 4.47Å; F118-V144 HydrophobicContact CZ-CG2 4.06Å; C131-V144 CarbonylContact C-O 3.53Å; C131-V144 VanDerWaalsContact CA-O 3.29Å; C131-V144 WeakPolarHBondContact CA-O 3.39Å; G132-V144 PolarHBondContact N-O 2.8Å; G132-V144 PolarHBondContact O-N 3.43Å; T134-V144 HydrophobicContact CG2-CG2 4.39Å; L142-V144 HydrophobicContact CB-CG2 3.84Å; L142-V144 HydrophobicContact CD1-CG2 4.35Å; V144-W146 HydrophobicContact CB-CH2 3.56Å; V144-W146 HydrophobicContact CB-CZ2 3.9Å; V144-W146 HydrophobicContact CB-CZ3 4.02Å; V144-W146 HydrophobicContact CG1-CD2 4.37Å; V144-W146 HydrophobicContact CG1-CH2 3.58Å; V144-W146 HydrophobicContact CG1-CZ2 3.36Å; V144-W146 HydrophobicContact CG1-CZ3 4.15Å; V144-W146 WeakPolarHBondContact O-CZ3 3.45Å; V144-P161 HydrophobicContact CG1-CB 3.78Å; V144-P161 HydrophobicContact CG1-CG 3.97Å; V144-A164 HydrophobicContact CG2-CB 4.17Å |
| 145 | F | 98.1 | Very high | 85.7 | Confident | 14 Ų | 14 | 72.9 Ų | 72.9 | 6% | 0.061 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 144.3 | -174.8 | -60.3 | -90.6 | 0 | 0 | 0 | 112 | I129 I130 C131 L143 P161 L162 G163 Y165 I200 | I129-F145 HydrophobicContact CG2-CD1 4.09Å; I130-F145 CarbonylContact O-C 3.53Å; I130-F145 VanDerWaalsContact O-CA 3.31Å; I130-F145 WeakPolarHBondContact O-CA 3.2Å; C131-F145 HydrophobicContact CB-CD1 3.71Å; C131-F145 HydrophobicContact CB-CE1 3.63Å; C131-F145 HydrophobicContact CB-CZ 4.49Å; C131-F145 WeakPolarHBondContact SG-CE1 3.49Å; L143-F145 HydrophobicContact CB-CE2 4Å; L143-F145 HydrophobicContact CB-CZ 4.16Å; F145-P161 CarbonylContact O-C 3.56Å; F145-P161 WeakPolarHBondContact O-CA 3.37Å; F145-L162 HydrophobicContact CB-CB 4.46Å; F145-L162 PolarHBondContact O-N 2.94Å; F145-G163 PolarHBondContact N-O 3.35Å; F145-Y165 HydrophobicContact CE2-CD1 4Å; F145-Y165 AromaticContact CE2-CD2 3.73Å; F145-Y165 HydrophobicContact CE2-CD2 3.73Å; F145-Y165 HydrophobicContact CE2-CE1 4.1Å; F145-Y165 AromaticContact CE2-CE2 3.86Å; F145-Y165 HydrophobicContact CE2-CE2 3.86Å; F145-Y165 AromaticContact CE2-CG 3.79Å; F145-Y165 HydrophobicContact CE2-CG 3.79Å; F145-Y165 AromaticContact CZ-CD2 3.8Å; F145-Y165 HydrophobicContact CZ-CD2 3.8Å; F145-Y165 AromaticContact CZ-CE2 3.67Å; F145-Y165 HydrophobicContact CZ-CE2 3.67Å; F145-Y165 HydrophobicContact CZ-CG 4.34Å; F145-I200 HydrophobicContact CE1-CG2 3.77Å; F145-I200 HydrophobicContact CZ-CG2 4.05Å |
| 146 | W | 97.9 | Very high | 84.1 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 154 | 174.6 | -58.6 | -97.4 | 0 | 0 | 0 | 112.5 | V94 F110 K111 F118 I129 I130 V144 A148 | V94-W146 HydrophobicContact CG2-CH2 4.21Å; V94-W146 HydrophobicContact CG2-CZ3 4.19Å; F110-W146 HydrophobicContact CB-CD2 3.97Å; F110-W146 HydrophobicContact CB-CG 3.88Å; F110-W146 HydrophobicContact CD1-CB 3.57Å; F110-W146 AromaticContact CD1-CG 3.83Å; F110-W146 HydrophobicContact CD1-CG 3.83Å; F110-W146 HydrophobicContact CE1-CB 4.22Å; F110-W146 HydrophobicContact CG-CB 4.37Å; F110-W146 HydrophobicContact CG-CG 4.25Å; K111-W146 PolarHBondContact O-NE1 3.32Å; F118-W146 HydrophobicContact CD1-CH2 4.28Å; F118-W146 AromaticContact CE1-CH2 3.51Å; F118-W146 HydrophobicContact CE1-CH2 3.51Å; F118-W146 HydrophobicContact CE1-CZ2 4.21Å; F118-W146 AromaticContact CE2-CH2 3.82Å; F118-W146 HydrophobicContact CE2-CH2 3.82Å; F118-W146 AromaticContact CE2-CZ2 3.9Å; F118-W146 HydrophobicContact CE2-CZ2 3.9Å; F118-W146 AromaticContact CZ-CH2 3.25Å; F118-W146 HydrophobicContact CZ-CH2 3.25Å; F118-W146 AromaticContact CZ-CZ2 3.49Å; F118-W146 HydrophobicContact CZ-CZ2 3.49Å; F118-W146 VanDerWaalsContact CZ-CZ2 3.49Å; I129-W146 WeakPolarHBondContact CA-O 3.4Å; I130-W146 HydrophobicContact CB-CE3 4.27Å; I130-W146 HydrophobicContact CG2-CE3 3.9Å; I130-W146 HydrophobicContact CG2-CZ3 4.18Å; I130-W146 PolarHBondContact N-O 2.65Å; I130-W146 PolarHBondContact O-N 3.33Å; V144-W146 HydrophobicContact CB-CH2 3.56Å; V144-W146 HydrophobicContact CB-CZ2 3.9Å; V144-W146 HydrophobicContact CB-CZ3 4.02Å; V144-W146 HydrophobicContact CG1-CD2 4.37Å; V144-W146 HydrophobicContact CG1-CH2 3.58Å; V144-W146 HydrophobicContact CG1-CZ2 3.36Å; V144-W146 HydrophobicContact CG1-CZ3 4.15Å; V144-W146 WeakPolarHBondContact O-CZ3 3.45Å; W146-A148 PolarHBondContact O-N 2.84Å |
| 147 | D | 95.8 | Very high | 83.6 | Confident | 31 Ų | 31 | 70 Ų | 70 | 17% | 0.166 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 110.8 | 167.4 | -173.9 | -14.2 | 0 | 0 | 0 | 110.7 | H128 R149 L162 | H128-D147 CarbonylContact O-C 3.56Å; H128-D147 WeakPolarHBondContact O-CA 3.36Å; D147-R149 VanDerWaalsContact C-N 3.32Å; D147-R149 WeakPolarHBondContact OD1-CB 3.46Å; D147-R149 WeakPolarHBondContact OD1-CG 3.22Å; D147-R149 IonicContact OD1-CZ 2.76Å; D147-R149 PolarHBondContact OD1-N 2.86Å; D147-R149 IonicContact OD1-NE 3.95Å; D147-R149 PolarHBondContact OD1-NE 2.77Å; D147-R149 IonicContact OD1-NH2 3.73Å; D147-R149 IonicContact OD2-CZ 3.01Å; D147-R149 VanDerWaalsContact OD2-CZ 3.26Å; D147-R149 IonicContact OD2-NE 4Å; D147-R149 PolarHBondContact OD2-NE 3.23Å; D147-R149 IonicContact OD2-NH2 3.17Å; D147-R149 PolarHBondContact OD2-NH2 3.07Å; D147-L162 HydrophobicContact CB-CD1 4.07Å; D147-L162 HydrophobicContact CB-CD2 4.14Å; D147-L162 HydrophobicContact CB-CG 4.32Å |
| 148 | A | 94.8 | Very high | 83.6 | Confident | 2 Ų | 2 | 71.3 Ų | 71.3 | 2% | 0.017 | 38% | 0.382 | C | S | . | . | trans | -79 | -12.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q108 F110 I123 H128 I130 W146 M150 | Q108-A148 PolarHBondContact NE2-O 2.87Å; Q108-A148 PolarHBondContact OE1-O 2.81Å; F110-A148 HydrophobicContact CZ-CB 4.42Å; I123-A148 HydrophobicContact CD1-CB 4.06Å; H128-A148 PolarHBondContact O-N 2.8Å; I130-A148 HydrophobicContact CD1-CB 3.79Å; I130-A148 HydrophobicContact CG1-CB 3.95Å; W146-A148 PolarHBondContact O-N 2.84Å; A148-M150 PolarHBondContact O-N 2.95Å | ||
| 149 | R | 91.8 | Very high | 83.9 | Confident | 129 Ų | 129 | 65.6 Ų | 65.6 | 49% | 0.487 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 131.3 | -174.4 | -61.5 | 173.6 | -65.5 | -176.3 | 0.8 | 111.1 | H128 D147 N151 K159 | H128-R149 HydrophobicContact CB-CG 4.19Å; D147-R149 VanDerWaalsContact C-N 3.32Å; D147-R149 WeakPolarHBondContact OD1-CB 3.46Å; D147-R149 WeakPolarHBondContact OD1-CG 3.22Å; D147-R149 IonicContact OD1-CZ 2.76Å; D147-R149 PolarHBondContact OD1-N 2.86Å; D147-R149 IonicContact OD1-NE 3.95Å; D147-R149 PolarHBondContact OD1-NE 2.77Å; D147-R149 IonicContact OD1-NH2 3.73Å; D147-R149 IonicContact OD2-CZ 3.01Å; D147-R149 VanDerWaalsContact OD2-CZ 3.26Å; D147-R149 IonicContact OD2-NE 4Å; D147-R149 PolarHBondContact OD2-NE 3.23Å; D147-R149 IonicContact OD2-NH2 3.17Å; D147-R149 PolarHBondContact OD2-NH2 3.07Å; R149-N151 PolarHBondContact O-N 2.87Å; R149-K159 PolarHBondContact O-NZ 2.92Å |
| 150 | M | 83.3 | Confident | 84.4 | Confident | 95 Ų | 95 | 65 Ų | 65 | 47% | 0.468 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -77.4 | 118.8 | 175.5 | -69.1 | -77.9 | -175.1 | 0 | 0 | 109.6 | V107 Q108 A148 | V107-M150 HydrophobicContact CG2-CE 3.85Å; Q108-M150 HydrophobicContact CG-CE 3.47Å; Q108-M150 VanDerWaalsContact CG-CE 3.47Å; Q108-M150 HydrophobicContact CG-SD 3.44Å; Q108-M150 WeakPolarHBondContact CG-SD 3.3Å; Q108-M150 PolarHBondContact NE2-SD 3.2Å; A148-M150 PolarHBondContact O-N 2.95Å |
| 151 | N | 70.3 | Confident | 84.8 | Confident | 105 Ų | 105 | 62 Ų | 62 | 56% | 0.561 | 33% | 0.332 | S | S | * | . | P | Polyproline II helix | trans | -88.1 | 126.2 | 168 | -72.6 | -18 | 0 | 0 | 0 | 108.4 | R149 Q153 D154 | R149-N151 PolarHBondContact O-N 2.87Å; N151-Q153 PolarHBondContact O-N 2.93Å; N151-D154 PolarHBondContact O-N 3.35Å |
| 152 | S | 60.3 | Low | 84.8 | Confident | 125 Ų | 125 | 67 Ų | 67 | 87% | 0.874 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -4 | -171 | 52.7 | 0 | 0 | 0 | 0 | 116.1 | ||
| 153 | Q | 60.4 | Low | 84.7 | Confident | 174 Ų | 174 | 67.3 Ų | 67.3 | 81% | 0.813 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -17 | -174 | -70.3 | -83.6 | -10.8 | 0 | 0 | 114 | N151 | N151-Q153 PolarHBondContact O-N 2.93Š|
| 154 | D | 55.8 | Low | 84.6 | Confident | 113 Ų | 113 | 68.9 Ų | 68.9 | 60% | 0.604 | 38% | 0.379 | S | S | * | . | trans | -129.7 | 120.8 | -174.4 | -86.3 | -37.7 | 0 | 0 | 0 | 112.4 | N151 S156 T157 | N151-D154 PolarHBondContact O-N 3.35Å; D154-S156 PolarHBondContact O-N 3.18Å; D154-T157 HydrophobicContact CB-CG2 3.22Å | ||
| 155 | L | 57.3 | Low | 84.5 | Confident | 155 Ų | 155 | 70 Ų | 70 | 81% | 0.812 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -74.3 | -9.1 | -177.3 | -73.5 | 157.7 | 0 | 0 | 0 | 114 | ||
| 156 | S | 64.4 | Low | 84.4 | Confident | 72 Ų | 72 | 71.8 Ų | 71.8 | 50% | 0.503 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -155.7 | 94.9 | 172.9 | -175.4 | 0 | 0 | 0 | 0 | 108.8 | V107 D154 | V107-S156 WeakPolarHBondContact O-CA 3.01Å; D154-S156 PolarHBondContact O-N 3.18Å |
| 157 | T | 85.2 | Confident | 84.1 | Confident | 16 Ų | 16 | 80.1 Ų | 80.1 | 10% | 0.098 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 121.1 | 179 | 57.4 | 0 | 0 | 0 | 0 | 110.4 | Q108 L109 D154 K159 | Q108-T157 WeakPolarHBondContact CA-O 3.16Å; L109-T157 PolarHBondContact N-O 2.78Å; D154-T157 HydrophobicContact CB-CG2 3.22Å; T157-K159 WeakPolarHBondContact OG1-CE 3.2Å |
| 158 | T | 90.8 | Very high | 83.9 | Confident | 68 Ų | 68 | 79.3 Ų | 79.3 | 42% | 0.417 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 137.6 | 156.3 | -62.1 | 0 | 0 | 0 | 0 | 108.5 | L109 K111 | L109-T158 CarbonylContact O-C 3.57Å; L109-T158 VanDerWaalsContact O-CA 3.24Å; L109-T158 WeakPolarHBondContact O-CA 3.3Å; K111-T158 HydrophobicContact CD-CG2 3.51Å; K111-T158 VanDerWaalsContact CE-CG2 3.41Å; K111-T158 HydrophobicContact CG-CG2 3.82Å |
| 159 | K | 93.1 | Very high | 84 | Confident | 27 Ų | 27 | 79.7 Ų | 79.7 | 12% | 0.117 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 130.9 | 179.7 | -61 | -73 | -164.1 | 155.9 | 0 | 108.9 | L109 F110 K111 R149 T157 | L109-K159 PolarHBondContact O-N 3.13Å; F110-K159 HydrophobicContact CD1-CB 3.63Å; F110-K159 HydrophobicContact CD1-CG 3.86Å; F110-K159 HydrophobicContact CE1-CB 4.07Å; F110-K159 HydrophobicContact CE1-CG 3.77Å; F110-K159 HydrophobicContact CG-CB 4.48Å; K111-K159 PolarHBondContact N-O 3.13Å; R149-K159 PolarHBondContact O-NZ 2.92Å; T157-K159 WeakPolarHBondContact OG1-CE 3.2Å |
| 160 | D | 94.4 | Very high | 84.2 | Confident | 123 Ų | 123 | 77.1 Ų | 77.1 | 66% | 0.658 | 44% | 0.436 | S | S | * | . | trans | -85.5 | 156.3 | 171.4 | -60.8 | -47.2 | 0 | 0 | 0 | 110.1 | ||||
| 161 | P | 96.8 | Very high | 84.9 | Confident | 31 Ų | 31 | 75.5 Ų | 75.5 | 20% | 0.201 | 43% | 0.429 | C | S | . | . | trans | -57 | 143.1 | 176.7 | -24.1 | 34.9 | 0 | 0 | 0 | 112.7 | K111 Y113 V144 F145 | K111-P161 VanDerWaalsContact O-CD 3.23Å; K111-P161 WeakPolarHBondContact O-CD 3.21Å; K111-P161 VanDerWaalsContact O-CG 3.25Å; K111-P161 WeakPolarHBondContact O-CG 3.46Å; Y113-P161 HydrophobicContact CD2-CG 4.43Å; Y113-P161 HydrophobicContact CE1-CG 4.36Å; Y113-P161 HydrophobicContact CE2-CB 4.03Å; Y113-P161 HydrophobicContact CE2-CG 4.03Å; V144-P161 HydrophobicContact CG1-CB 3.78Å; V144-P161 HydrophobicContact CG1-CG 3.97Å; F145-P161 CarbonylContact O-C 3.56Å; F145-P161 WeakPolarHBondContact O-CA 3.37Å | ||
| 162 | L | 95.6 | Very high | 86.3 | Confident | 107 Ų | 107 | 72.7 Ų | 72.7 | 56% | 0.56 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -72.9 | -34.1 | 166.2 | -68.5 | 176.3 | 0 | 0 | 0 | 111.4 | I129 F145 D147 | I129-L162 HydrophobicContact CD1-CD1 3.74Å; F145-L162 HydrophobicContact CB-CB 4.46Å; F145-L162 PolarHBondContact O-N 2.94Å; D147-L162 HydrophobicContact CB-CD1 4.07Å; D147-L162 HydrophobicContact CB-CD2 4.14Å; D147-L162 HydrophobicContact CB-CG 4.32Å |
| 163 | G | 95.4 | Very high | 88.1 | Confident | 25 Ų | 25 | 66.8 Ų | 66.8 | 26% | 0.258 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 170.6 | 177.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | F145 | F145-G163 PolarHBondContact N-O 3.35Å |
| 164 | A | 96.1 | Very high | 89.9 | Confident | 34 Ų | 34 | 59.6 Ų | 59.6 | 28% | 0.281 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 153 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111 | Y113 L143 V144 | Y113-A164 HydrophobicContact CE2-CB 3.88Å; L143-A164 CarbonylContact O-C 3.53Å; L143-A164 WeakPolarHBondContact O-CA 3.24Å; L143-A164 VanDerWaalsContact O-CB 3.29Å; L143-A164 WeakPolarHBondContact O-CB 3.39Å; V144-A164 HydrophobicContact CG2-CB 4.17Å |
| 165 | Y | 97.1 | Very high | 91.9 | Very high | 23 Ų | 23 | 55.6 Ų | 55.6 | 9% | 0.09 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 125.7 | 162.7 | -60.1 | -17.4 | 0 | 0 | 0 | 107.7 | L142 L143 F145 T168 F198 I200 E205 A208 | L142-Y165 WeakPolarHBondContact CA-O 3.48Å; L143-Y165 HydrophobicContact CD1-CD2 4.11Å; L143-Y165 PolarHBondContact N-O 3.44Å; L143-Y165 PolarHBondContact O-N 2.89Å; F145-Y165 HydrophobicContact CE2-CD1 4Å; F145-Y165 AromaticContact CE2-CD2 3.73Å; F145-Y165 HydrophobicContact CE2-CD2 3.73Å; F145-Y165 HydrophobicContact CE2-CE1 4.1Å; F145-Y165 AromaticContact CE2-CE2 3.86Å; F145-Y165 HydrophobicContact CE2-CE2 3.86Å; F145-Y165 AromaticContact CE2-CG 3.79Å; F145-Y165 HydrophobicContact CE2-CG 3.79Å; F145-Y165 AromaticContact CZ-CD2 3.8Å; F145-Y165 HydrophobicContact CZ-CD2 3.8Å; F145-Y165 AromaticContact CZ-CE2 3.67Å; F145-Y165 HydrophobicContact CZ-CE2 3.67Å; F145-Y165 HydrophobicContact CZ-CG 4.34Å; Y165-T168 WeakPolarHBondContact CB-OG1 3.4Å; Y165-F198 AromaticContact CD2-CD1 3.92Å; Y165-F198 HydrophobicContact CD2-CD1 3.92Å; Y165-F198 AromaticContact CD2-CE1 3.91Å; Y165-F198 HydrophobicContact CD2-CE1 3.91Å; Y165-F198 HydrophobicContact CD2-CE2 4.49Å; Y165-F198 HydrophobicContact CD2-CG 4.24Å; Y165-F198 HydrophobicContact CD2-CZ 4.2Å; Y165-F198 HydrophobicContact CE2-CB 4.17Å; Y165-F198 AromaticContact CE2-CD1 3.6Å; Y165-F198 HydrophobicContact CE2-CD1 3.6Å; Y165-F198 HydrophobicContact CE2-CD2 4.49Å; Y165-F198 HydrophobicContact CE2-CE1 4.06Å; Y165-F198 AromaticContact CE2-CG 3.85Å; Y165-F198 HydrophobicContact CE2-CG 3.85Å; Y165-I200 HydrophobicContact CE2-CG2 4.3Å; Y165-E205 WeakPolarHBondContact CA-OE2 3.18Å; Y165-E205 VanDerWaalsContact CB-CD 3.41Å; Y165-E205 WeakPolarHBondContact CB-OE1 3.13Å; Y165-E205 HydrophobicContact CD1-CB 3.77Å; Y165-E205 HydrophobicContact CD1-CG 3.89Å; Y165-E205 HydrophobicContact CD2-CG 4.34Å; Y165-E205 HydrophobicContact CE1-CB 4.16Å; Y165-E205 HydrophobicContact CG-CB 4.22Å; Y165-E205 HydrophobicContact CG-CG 3.79Å; Y165-A208 HydrophobicContact CE2-CB 4.49Å; Y165-A208 WeakPolarHBondContact OH-CB 3.25Å |
| 166 | S | 94.8 | Very high | 93.9 | Very high | 52 Ų | 52 | 48.2 Ų | 48.2 | 36% | 0.364 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | -17.3 | -171.1 | 52.9 | 0 | 0 | 0 | 0 | 113.9 | L142 E205 | L142-S166 VanDerWaalsContact CD2-CB 3.48Å; S166-E205 PolarHBondContact N-OE1 3.37Å; S166-E205 PolarHBondContact N-OE2 3.49Å |
| 167 | E | 93 | Very high | 95.5 | Very high | 175 Ų | 175 | 46.9 Ų | 46.9 | 82% | 0.818 | 26% | 0.264 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 12.2 | -177.2 | -60.2 | -172.7 | -179.9 | 0 | 0 | 112.1 | E205 | E167-E205 VanDerWaalsContact C-OE1 3.31Å; E167-E205 WeakPolarHBondContact CA-OE1 3.48Å; E167-E205 PolarHBondContact N-OE1 2.81Å; E167-E205 PolarHBondContact N-OE2 2.92Å |
| 168 | T | 90.9 | Very high | 96.1 | Very high | 14 Ų | 14 | 46.5 Ų | 46.5 | 9% | 0.086 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | -43.3 | -173.3 | -65.5 | 0 | 0 | 0 | 0 | 113.6 | L143 Y165 N196 F198 E205 | L143-T168 HydrophobicContact CD1-CG2 3.94Å; Y165-T168 WeakPolarHBondContact CB-OG1 3.4Å; T168-N196 HydrophobicContact CG2-CB 4.15Å; T168-N196 WeakPolarHBondContact CG2-ND2 3.48Å; T168-N196 PolarHBondContact O-ND2 3.04Å; T168-F198 HydrophobicContact CG2-CE2 3.62Å; T168-F198 HydrophobicContact CG2-CZ 3.42Å; T168-F198 VanDerWaalsContact CG2-CZ 3.42Å; T168-F198 WeakPolarHBondContact OG1-CZ 3.48Å; T168-E205 PolarHBondContact N-OE1 3.3Å; T168-E205 PolarHBondContact OG1-OE1 3.49Å |
| 169 | H | 97.3 | Very high | 96.5 | Very high | 11 Ų | 11 | 44 Ų | 44 | 5% | 0.051 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 145.2 | -174.5 | -75.5 | -57.1 | 0 | 0 | 0 | 111 | V173 S188 S190 D192 L194 N196 | H169-V173 HydrophobicContact CB-CG2 4.25Å; H169-S188 PolarHBondContact NE2-OG 3.01Å; H169-S190 WeakPolarHBondContact ND1-CB 3.33Å; H169-D192 VanDerWaalsContact CA-OD2 3.3Å; H169-D192 WeakPolarHBondContact CA-OD2 3.27Å; H169-D192 WeakPolarHBondContact CB-OD2 3.48Å; H169-D192 IonicContact CE1-OD1 3.21Å; H169-D192 IonicContact CG-OD2 2.77Å; H169-D192 IonicContact ND1-OD1 3.89Å; H169-D192 PolarHBondContact ND1-OD1 3.13Å; H169-D192 IonicContact ND1-OD2 2.65Å; H169-D192 PolarHBondContact ND1-OD2 2.58Å; H169-D192 VanDerWaalsContact ND1-OD2 3.09Å; H169-L194 PolarHBondContact CE1-O 2.98Å; H169-N196 PolarHBondContact CE1-ND2 2.99Å |
| 170 | S | 96.9 | Very high | 96.6 | Very high | 74 Ų | 74 | 45.5 Ų | 45.5 | 52% | 0.517 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -94.9 | -3.3 | -179.3 | 65.1 | 0 | 0 | 0 | 0 | 114 | K136 D192 | K136-S170 WeakPolarHBondContact CD-O 3.42Å; K136-S170 PolarHBondContact NZ-O 3.47Å; S170-D192 PolarHBondContact N-OD2 2.85Å; S170-D192 WeakPolarHBondContact OG-CB 3.24Å |
| 171 | D | 97.9 | Very high | 96.7 | Very high | 62 Ų | 62 | 43.3 Ų | 43.3 | 33% | 0.332 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -150 | 175.7 | -179.1 | -150.3 | -12.8 | 0 | 0 | 0 | 110.8 | A141 V173 S190 D192 | A141-D171 VanDerWaalsContact CB-O 3.3Å; A141-D171 WeakPolarHBondContact CB-O 3.27Å; D171-V173 PolarHBondContact O-N 3.2Å; D171-S190 VanDerWaalsContact C-OG 3.26Å; D171-S190 PolarHBondContact O-OG 3.43Å; D171-D192 HydrophobicContact CB-CB 4.06Å |
| 172 | D | 98.1 | Very high | 96.7 | Very high | 45 Ų | 45 | 44.6 Ų | 44.6 | 24% | 0.241 | 26% | 0.256 | C | S | . | . | trans | -37.8 | 126.7 | -176.7 | -71.1 | -11.7 | 0 | 0 | 0 | 114.4 | I119 E135 K136 T174 S190 S191 | I119-D172 HydrophobicContact CD1-CB 3.77Å; E135-D172 WeakPolarHBondContact CA-OD1 3.42Å; K136-D172 PolarHBondContact N-OD1 2.75Å; D172-T174 HydrophobicContact CB-CG2 4.32Å; D172-T174 PolarHBondContact O-N 2.89Å; D172-T174 VanDerWaalsContact O-N 3.1Å; D172-S190 CarbonylContact O-C 3.55Å; D172-S190 WeakPolarHBondContact O-CA 3.29Å; D172-S190 VanDerWaalsContact O-CB 3.25Å; D172-S190 WeakPolarHBondContact O-CB 3.32Å; D172-S190 PolarHBondContact O-OG 3.31Å; D172-S191 PolarHBondContact O-N 3.49Å | ||
| 173 | V | 98.5 | Very high | 96.8 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | trans | -82.8 | 88 | 173.9 | -172.9 | 0 | 0 | 0 | 0 | 109.7 | I119 S120 T134 A141 L143 H169 D171 Q175 V176 G189 | I119-V173 WeakPolarHBondContact CG1-O 3.48Å; S120-V173 WeakPolarHBondContact CB-O 3.15Å; S120-V173 PolarHBondContact OG-O 2.93Å; T134-V173 PolarHBondContact O-N 2.79Å; A141-V173 HydrophobicContact CB-CG2 4.19Å; L143-V173 HydrophobicContact CD2-CG1 3.69Å; H169-V173 HydrophobicContact CB-CG2 4.25Å; D171-V173 PolarHBondContact O-N 3.2Å; V173-Q175 VanDerWaalsContact C-N 3.33Å; V173-Q175 PolarHBondContact O-N 2.65Å; V173-V176 HydrophobicContact CG1-CG2 4.01Å; V173-G189 CarbonylContact C-O 3.56Å | ||
| 174 | T | 98.3 | Very high | 96.9 | Very high | 24 Ų | 24 | 42.2 Ų | 42.2 | 15% | 0.147 | 24% | 0.24 | C | C | . | . | trans | -73.1 | -21.7 | -171.5 | 59.6 | 0 | 0 | 0 | 0 | 114 | S120 D172 G189 S191 V219 | S120-T174 WeakPolarHBondContact CB-O 3.39Å; D172-T174 HydrophobicContact CB-CG2 4.32Å; D172-T174 PolarHBondContact O-N 2.89Å; D172-T174 VanDerWaalsContact O-N 3.1Å; T174-G189 PolarHBondContact N-O 3.22Å; T174-G189 PolarHBondContact OG1-O 2.97Å; T174-S191 WeakPolarHBondContact CG2-OG 3.29Å; T174-V219 VanDerWaalsContact CB-O 3.25Å; T174-V219 WeakPolarHBondContact CB-O 3.44Å; T174-V219 PolarHBondContact OG1-O 3.1Å | ||
| 175 | Q | 97.9 | Very high | 97 | Very high | 28 Ų | 28 | 41.8 Ų | 41.8 | 13% | 0.131 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 142.1 | 179.4 | -158.6 | 68.1 | -117.4 | 0 | 0 | 112.3 | V173 R177 S188 G189 S220 I222 | V173-Q175 VanDerWaalsContact C-N 3.33Å; V173-Q175 PolarHBondContact O-N 2.65Å; Q175-R177 HydrophobicContact CG-CG 4.35Å; Q175-S188 CarbonylContact O-C 3.43Å; Q175-S188 VanDerWaalsContact O-CA 3.31Å; Q175-S188 WeakPolarHBondContact O-CA 3.27Å; Q175-G189 PolarHBondContact N-O 2.91Å; Q175-G189 PolarHBondContact O-N 3.18Å; Q175-S220 PolarHBondContact NE2-O 3.01Å; Q175-I222 HydrophobicContact CB-CD1 4.05Å; Q175-I222 HydrophobicContact CB-CG1 4.37Å; Q175-I222 HydrophobicContact CG-CB 4.22Å |
| 176 | V | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 135.6 | 168.3 | 175.7 | 0 | 0 | 0 | 0 | 107.9 | D122 C131 L143 V173 V186 V187 | D122-V176 HydrophobicContact CB-CG1 4.24Å; C131-V176 HydrophobicContact CB-CG1 3.88Å; L143-V176 HydrophobicContact CD2-CG2 3.59Å; V173-V176 HydrophobicContact CG1-CG2 4.01Å; V176-V186 HydrophobicContact CG1-CG2 3.73Å; V176-V187 CarbonylContact C-O 3.54Å; V176-V187 WeakPolarHBondContact CA-O 3.31Å |
| 177 | R | 98.5 | Very high | 97.3 | Very high | 44 Ų | 44 | 38.2 Ų | 38.2 | 17% | 0.166 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 121.2 | 175.5 | -71.3 | -68.9 | 179.9 | -110.3 | -15.2 | 111.5 | R77 D122 Q175 V187 W224 | R77-R177 VanDerWaalsContact NH2-NH1 3.2Å; D122-R177 VanDerWaalsContact OD2-CA 3.29Å; D122-R177 WeakPolarHBondContact OD2-CA 3.5Å; Q175-R177 HydrophobicContact CG-CG 4.35Å; R177-V187 HydrophobicContact CB-CG1 3.75Å; R177-V187 PolarHBondContact N-O 3.05Å; R177-V187 WeakPolarHBondContact O-CG1 3.38Å; R177-V187 PolarHBondContact O-N 3.22Å; R177-W224 PolarHBondContact O-NE1 3.48Å |
| 178 | F | 98.7 | Very high | 97.6 | Very high | 9 Ų | 9 | 29.9 Ų | 29.9 | 4% | 0.039 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 149.9 | 168.1 | -81 | -77.2 | 0 | 0 | 0 | 111.1 | D122 N124 I129 C131 M185 V186 I200 W224 | D122-F178 HydrophobicContact CB-CD2 3.91Å; D122-F178 WeakPolarHBondContact O-CE2 3.18Å; D122-F178 PolarHBondContact OD2-N 2.83Å; N124-F178 VanDerWaalsContact CA-CG 3.47Å; N124-F178 HydrophobicContact CB-CB 4.06Å; N124-F178 HydrophobicContact CB-CD1 3.45Å; N124-F178 VanDerWaalsContact CB-CD1 3.45Å; N124-F178 HydrophobicContact CB-CD2 3.88Å; N124-F178 HydrophobicContact CB-CE1 3.76Å; N124-F178 HydrophobicContact CB-CE2 4.15Å; N124-F178 HydrophobicContact CB-CG 3.51Å; N124-F178 HydrophobicContact CB-CZ 4.1Å; N124-F178 VanDerWaalsContact N-CD2 3.28Å; I129-F178 HydrophobicContact CB-CZ 4.37Å; I129-F178 HydrophobicContact CG2-CZ 3.94Å; C131-F178 HydrophobicContact CB-CE2 3.63Å; C131-F178 HydrophobicContact CB-CZ 3.62Å; F178-M185 WeakPolarHBondContact CD1-O 3.49Å; F178-V186 HydrophobicContact CD1-CB 3.76Å; F178-V186 HydrophobicContact CD1-CG2 4.04Å; F178-V186 HydrophobicContact CE1-CB 3.75Å; F178-V186 HydrophobicContact CE1-CG2 4.04Å; F178-V186 HydrophobicContact CG-CB 4.45Å; F178-V186 HydrophobicContact CG-CG2 4.29Å; F178-V186 HydrophobicContact CZ-CB 4.44Å; F178-V186 HydrophobicContact CZ-CG2 4.29Å; F178-I200 HydrophobicContact CE1-CD1 3.88Å; F178-I200 HydrophobicContact CZ-CD1 4.42Å; F178-W224 PolarHBondContact O-NE1 3.19Å |
| 179 | H | 98.4 | Very high | 97.9 | Very high | 16 Ų | 16 | 29.2 Ų | 29.2 | 7% | 0.074 | 17% | 0.168 | C | C | . | . | trans | -64.3 | 133.4 | 174.3 | -177.2 | -77.4 | 0 | 0 | 0 | 110.1 | S181 N182 M185 W224 G228 Y229 | H179-S181 PolarHBondContact CE1-OG 2.83Å; H179-S181 PolarHBondContact ND1-N 2.84Å; H179-S181 PolarHBondContact ND1-OG 2.95Å; H179-S181 PolarHBondContact O-N 2.96Å; H179-S181 VanDerWaalsContact O-N 3.07Å; H179-N182 HydrophobicContact CB-CB 4.21Å; H179-N182 VanDerWaalsContact ND1-CB 3.31Å; H179-N182 WeakPolarHBondContact ND1-CB 3.28Å; H179-N182 PolarHBondContact ND1-N 2.91Å; H179-M185 HydrophobicContact CB-CB 3.5Å; H179-M185 WeakPolarHBondContact CB-O 3.23Å; H179-M185 PolarHBondContact N-O 3.35Å; H179-W224 HydrophobicContact CB-CD2 4.31Å; H179-W224 HydrophobicContact CB-CH2 4.29Å; H179-W224 HydrophobicContact CB-CZ2 3.89Å; H179-W224 AromaticContact CD2-CD2 3.99Å; H179-W224 AromaticContact CD2-CE3 3.64Å; H179-W224 AromaticContact CD2-CZ3 3.65Å; H179-G228 PolarHBondContact NE2-O 3.48Å; H179-Y229 VanDerWaalsContact NE2-CB 3.28Å; H179-Y229 WeakPolarHBondContact NE2-CB 3.49Å; H179-Y229 PolarHBondContact NE2-O 2.76Å | ||
| 180 | P | 95.9 | Very high | 98 | Very high | 57 Ų | 57 | 28.7 Ų | 28.7 | 37% | 0.37 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -64.1 | -22.3 | -169 | -28.9 | 39.4 | 0 | 0 | 0 | 115.4 | C125 W224 Y229 | C125-P180 WeakPolarHBondContact CB-O 3.47Å; P180-W224 HydrophobicContact CG-CB 4.23Å; P180-Y229 HydrophobicContact CB-CD1 4.4Å; P180-Y229 HydrophobicContact CB-CD2 4.06Å; P180-Y229 HydrophobicContact CB-CE1 4.04Å; P180-Y229 HydrophobicContact CB-CE2 3.69Å; P180-Y229 HydrophobicContact CB-CG 4.38Å; P180-Y229 HydrophobicContact CG-CD1 3.71Å; P180-Y229 HydrophobicContact CG-CD2 4.18Å; P180-Y229 HydrophobicContact CG-CE1 3.55Å; P180-Y229 HydrophobicContact CG-CE2 4.06Å; P180-Y229 HydrophobicContact CG-CG 3.99Å |
| 181 | S | 96.3 | Very high | 98.1 | Very high | 78 Ų | 78 | 26.7 Ų | 26.7 | 55% | 0.545 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -129.8 | -1 | -178 | 61.4 | 0 | 0 | 0 | 0 | 115.7 | H179 | H179-S181 PolarHBondContact CE1-OG 2.83Å; H179-S181 PolarHBondContact ND1-N 2.84Å; H179-S181 PolarHBondContact ND1-OG 2.95Å; H179-S181 PolarHBondContact O-N 2.96Å; H179-S181 VanDerWaalsContact O-N 3.07Å |
| 182 | N | 97.3 | Very high | 98.1 | Very high | 57 Ų | 57 | 25.6 Ų | 25.6 | 31% | 0.305 | 15% | 0.145 | S | C | . | . | trans | -123.8 | 109.2 | -179.3 | -177.7 | -14.4 | 0 | 0 | 0 | 107.3 | H179 N184 M185 | H179-N182 HydrophobicContact CB-CB 4.21Å; H179-N182 VanDerWaalsContact ND1-CB 3.31Å; H179-N182 WeakPolarHBondContact ND1-CB 3.28Å; H179-N182 PolarHBondContact ND1-N 2.91Å; N182-N184 PolarHBondContact O-N 2.95Å; N182-N184 VanDerWaalsContact O-N 3.11Å; N182-N184 PolarHBondContact OD1-N 3.31Å; N182-N184 VanDerWaalsContact OD1-N 3.12Å; N182-M185 HydrophobicContact CB-CB 4.33Å; N182-M185 HydrophobicContact CB-CG 4.18Å; N182-M185 VanDerWaalsContact ND2-CG 3.27Å; N182-M185 WeakPolarHBondContact ND2-CG 3.16Å; N182-M185 PolarHBondContact O-N 3.4Å | ||
| 183 | P | 97.6 | Very high | 98.1 | Very high | 30 Ų | 30 | 23.4 Ų | 23.4 | 20% | 0.195 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -11.8 | -171.6 | 28.2 | -35.3 | 0 | 0 | 0 | 114 | N124 C125 N126 | N124-P183 PolarHBondContact ND2-O 3.09Å; C125-P183 VanDerWaalsContact SG-N 3.43Å; N126-P183 HydrophobicContact CB-CB 4.38Å; N126-P183 VanDerWaalsContact ND2-CB 3.27Å; N126-P183 WeakPolarHBondContact ND2-CB 3.45Å |
| 184 | N | 97.5 | Very high | 98 | Very high | 52 Ų | 52 | 25.7 Ų | 25.7 | 28% | 0.278 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | -11.3 | -176.4 | -55.8 | -14 | 0 | 0 | 0 | 112.8 | N182 D199 I200 N201 | N182-N184 PolarHBondContact O-N 2.95Å; N182-N184 VanDerWaalsContact O-N 3.11Å; N182-N184 PolarHBondContact OD1-N 3.31Å; N182-N184 VanDerWaalsContact OD1-N 3.12Å; N184-D199 WeakPolarHBondContact CB-OD1 3.4Å; N184-D199 CarbonylContact O-C 3.53Å; N184-D199 WeakPolarHBondContact O-CA 3.27Å; N184-I200 HydrophobicContact CB-CG1 4.45Å; N184-I200 WeakPolarHBondContact O-CG1 3.11Å; N184-I200 PolarHBondContact O-N 2.86Å; N184-N201 HydrophobicContact CB-CB 4.05Å; N184-N201 WeakPolarHBondContact ND2-CB 3.29Å |
| 185 | M | 98.1 | Very high | 98 | Very high | 25 Ų | 25 | 24.6 Ų | 24.6 | 12% | 0.123 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 129.2 | -176.8 | -67.6 | -66.9 | -59.3 | 0 | 0 | 110.5 | F178 H179 N182 V197 F198 D199 V210 W224 | F178-M185 WeakPolarHBondContact CD1-O 3.49Å; H179-M185 HydrophobicContact CB-CB 3.5Å; H179-M185 WeakPolarHBondContact CB-O 3.23Å; H179-M185 PolarHBondContact N-O 3.35Å; N182-M185 HydrophobicContact CB-CB 4.33Å; N182-M185 HydrophobicContact CB-CG 4.18Å; N182-M185 VanDerWaalsContact ND2-CG 3.27Å; N182-M185 WeakPolarHBondContact ND2-CG 3.16Å; N182-M185 PolarHBondContact O-N 3.4Å; M185-V197 HydrophobicContact CE-CG1 3.37Å; M185-F198 WeakPolarHBondContact CA-O 3.28Å; M185-D199 HydrophobicContact SD-CB 3.93Å; M185-V210 HydrophobicContact CE-CG2 4.18Å; M185-V210 HydrophobicContact SD-CG2 4.44Å; M185-W224 HydrophobicContact CB-CH2 4.22Å; M185-W224 HydrophobicContact CB-CZ2 4.47Å; M185-W224 HydrophobicContact CE-CH2 4.23Å |
| 186 | V | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.006 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 144.4 | 176 | 65.2 | 0 | 0 | 0 | 0 | 110.1 | V176 F178 V197 F198 I200 | V176-V186 HydrophobicContact CG1-CG2 3.73Å; F178-V186 HydrophobicContact CD1-CB 3.76Å; F178-V186 HydrophobicContact CD1-CG2 4.04Å; F178-V186 HydrophobicContact CE1-CB 3.75Å; F178-V186 HydrophobicContact CE1-CG2 4.04Å; F178-V186 HydrophobicContact CG-CB 4.45Å; F178-V186 HydrophobicContact CG-CG2 4.29Å; F178-V186 HydrophobicContact CZ-CB 4.44Å; F178-V186 HydrophobicContact CZ-CG2 4.29Å; V186-V197 WeakPolarHBondContact O-CA 3.37Å; V186-F198 HydrophobicContact CG1-CB 3.82Å; V186-F198 HydrophobicContact CG1-CD2 4.43Å; V186-F198 PolarHBondContact N-O 2.92Å; V186-F198 PolarHBondContact O-N 2.86Å; V186-I200 HydrophobicContact CG1-CG2 3.64Å |
| 187 | V | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 135.8 | 171.5 | 64.3 | 0 | 0 | 0 | 0 | 109.7 | V176 R177 V195 N196 V197 I222 W224 I232 | V176-V187 CarbonylContact C-O 3.54Å; V176-V187 WeakPolarHBondContact CA-O 3.31Å; R177-V187 HydrophobicContact CB-CG1 3.75Å; R177-V187 PolarHBondContact N-O 3.05Å; R177-V187 WeakPolarHBondContact O-CG1 3.38Å; R177-V187 PolarHBondContact O-N 3.22Å; V187-V195 HydrophobicContact CG2-CG1 3.43Å; V187-V195 VanDerWaalsContact CG2-CG1 3.43Å; V187-N196 CarbonylContact C-O 3.52Å; V187-N196 VanDerWaalsContact CA-O 3.28Å; V187-N196 WeakPolarHBondContact CA-O 3.46Å; V187-N196 WeakPolarHBondContact CG2-O 3.31Å; V187-V197 HydrophobicContact CB-CG2 4.33Å; V187-V197 HydrophobicContact CG2-CG2 3.97Å; V187-I222 HydrophobicContact CB-CG2 4.4Å; V187-I222 HydrophobicContact CG1-CG2 3.54Å; V187-I222 HydrophobicContact CG2-CG2 3.88Å; V187-W224 HydrophobicContact CB-CH2 4.45Å; V187-W224 HydrophobicContact CB-CZ2 3.79Å; V187-W224 HydrophobicContact CG1-CZ2 3.84Å; V187-I232 HydrophobicContact CG2-CD1 4.31Å |
| 188 | S | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 155.1 | 171.8 | 64.3 | 0 | 0 | 0 | 0 | 110.6 | H169 Q175 V195 N196 I222 | H169-S188 PolarHBondContact NE2-OG 3.01Å; Q175-S188 CarbonylContact O-C 3.43Å; Q175-S188 VanDerWaalsContact O-CA 3.31Å; Q175-S188 WeakPolarHBondContact O-CA 3.27Å; S188-V195 CarbonylContact O-C 3.4Å; S188-V195 WeakPolarHBondContact O-CA 3.45Å; S188-V195 WeakPolarHBondContact O-CG1 3.32Å; S188-N196 PolarHBondContact N-O 3.03Å; S188-N196 PolarHBondContact O-N 3.37Å; S188-I222 VanDerWaalsContact C-CD1 3.49Å |
| 189 | G | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 156.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | V173 T174 Q175 L194 | V173-G189 CarbonylContact C-O 3.56Å; T174-G189 PolarHBondContact N-O 3.22Å; T174-G189 PolarHBondContact OG1-O 2.97Å; Q175-G189 PolarHBondContact N-O 2.91Å; Q175-G189 PolarHBondContact O-N 3.18Å; G189-L194 WeakPolarHBondContact CA-O 3.34Å |
| 190 | S | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -136.8 | 164.5 | -168.7 | 166.8 | 0 | 0 | 0 | 0 | 113 | H169 D171 D172 D192 G193 L194 V219 | H169-S190 WeakPolarHBondContact ND1-CB 3.33Å; D171-S190 VanDerWaalsContact C-OG 3.26Å; D171-S190 PolarHBondContact O-OG 3.43Å; D172-S190 CarbonylContact O-C 3.55Å; D172-S190 WeakPolarHBondContact O-CA 3.29Å; D172-S190 VanDerWaalsContact O-CB 3.25Å; D172-S190 WeakPolarHBondContact O-CB 3.32Å; D172-S190 PolarHBondContact O-OG 3.31Å; S190-D192 VanDerWaalsContact CB-OD1 3.23Å; S190-D192 WeakPolarHBondContact CB-OD1 3.44Å; S190-D192 PolarHBondContact O-N 2.89Å; S190-D192 VanDerWaalsContact OG-CG 3.22Å; S190-D192 PolarHBondContact OG-N 2.75Å; S190-D192 PolarHBondContact OG-OD1 3.37Å; S190-G193 PolarHBondContact O-N 2.87Å; S190-G193 VanDerWaalsContact O-N 3.16Å; S190-L194 PolarHBondContact N-O 3.16Å; S190-V219 WeakPolarHBondContact O-CG2 3.43Å; S190-V219 PolarHBondContact O-N 2.95Å | ||
| 191 | S | 98.5 | Very high | 97.8 | Very high | 31 Ų | 31 | 26.7 Ų | 26.7 | 22% | 0.217 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -17.6 | 166 | -72.2 | 0 | 0 | 0 | 0 | 113.9 | D172 T174 G193 S218 | D172-S191 PolarHBondContact O-N 3.49Å; T174-S191 WeakPolarHBondContact CG2-OG 3.29Å; S191-G193 PolarHBondContact O-N 3.04Å; S191-S218 WeakPolarHBondContact CA-OG 2.88Å; S191-S218 PolarHBondContact OG-OG 3.14Å; S191-S218 VanDerWaalsContact OG-OG 3.12Å |
| 192 | D | 98 | Very high | 97.8 | Very high | 39 Ų | 39 | 25.4 Ų | 25.4 | 21% | 0.209 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -8.1 | 172.6 | 69.5 | 14 | 0 | 0 | 0 | 114 | H169 S170 D171 S190 L194 | H169-D192 VanDerWaalsContact CA-OD2 3.3Å; H169-D192 WeakPolarHBondContact CA-OD2 3.27Å; H169-D192 WeakPolarHBondContact CB-OD2 3.48Å; H169-D192 IonicContact CE1-OD1 3.21Å; H169-D192 IonicContact CG-OD2 2.77Å; H169-D192 IonicContact ND1-OD1 3.89Å; H169-D192 PolarHBondContact ND1-OD1 3.13Å; H169-D192 IonicContact ND1-OD2 2.65Å; H169-D192 PolarHBondContact ND1-OD2 2.58Å; H169-D192 VanDerWaalsContact ND1-OD2 3.09Å; S170-D192 PolarHBondContact N-OD2 2.85Å; S170-D192 WeakPolarHBondContact OG-CB 3.24Å; D171-D192 HydrophobicContact CB-CB 4.06Å; S190-D192 VanDerWaalsContact CB-OD1 3.23Å; S190-D192 WeakPolarHBondContact CB-OD1 3.44Å; S190-D192 PolarHBondContact O-N 2.89Å; S190-D192 VanDerWaalsContact OG-CG 3.22Å; S190-D192 PolarHBondContact OG-N 2.75Å; S190-D192 PolarHBondContact OG-OD1 3.37Å; D192-L194 VanDerWaalsContact C-N 3.34Å; D192-L194 WeakPolarHBondContact OD1-CA 3.24Å; D192-L194 VanDerWaalsContact OD1-CB 3.28Å; D192-L194 WeakPolarHBondContact OD1-CB 3.42Å; D192-L194 PolarHBondContact OD1-N 2.79Å |
| 193 | G | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | S | Bend | trans | 83.2 | 4.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115 | S190 S191 S215 S217 | S190-G193 PolarHBondContact O-N 2.87Å; S190-G193 VanDerWaalsContact O-N 3.16Å; S191-G193 PolarHBondContact O-N 3.04Å; G193-S215 PolarHBondContact O-N 3.25Å; G193-S215 PolarHBondContact O-OG 2.83Å; G193-S217 WeakPolarHBondContact CA-O 3.34Å |
| 194 | L | 98.1 | Very high | 96.9 | Very high | 49 Ų | 49 | 33 Ų | 33 | 26% | 0.257 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 150.2 | 173.2 | -55.8 | -177.7 | 0 | 0 | 0 | 111.4 | H169 G189 S190 D192 T212 C213 N214 | H169-L194 PolarHBondContact CE1-O 2.98Å; G189-L194 WeakPolarHBondContact CA-O 3.34Å; S190-L194 PolarHBondContact N-O 3.16Å; D192-L194 VanDerWaalsContact C-N 3.34Å; D192-L194 WeakPolarHBondContact OD1-CA 3.24Å; D192-L194 VanDerWaalsContact OD1-CB 3.28Å; D192-L194 WeakPolarHBondContact OD1-CB 3.42Å; D192-L194 PolarHBondContact OD1-N 2.79Å; L194-T212 HydrophobicContact CB-CG2 4.38Å; L194-T212 HydrophobicContact CD1-CG2 4.37Å; L194-T212 HydrophobicContact CD2-CG2 4.08Å; L194-C213 WeakPolarHBondContact CA-O 3.48Å; L194-N214 HydrophobicContact CD2-CB 4.21Å |
| 195 | V | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 114.4 | 170.9 | 176.3 | 0 | 0 | 0 | 0 | 107.4 | V187 S188 C213 V219 I222 I232 C234 | V187-V195 HydrophobicContact CG2-CG1 3.43Å; V187-V195 VanDerWaalsContact CG2-CG1 3.43Å; S188-V195 CarbonylContact O-C 3.4Å; S188-V195 WeakPolarHBondContact O-CA 3.45Å; S188-V195 WeakPolarHBondContact O-CG1 3.32Å; V195-C213 HydrophobicContact CB-CB 4.12Å; V195-C213 PolarHBondContact N-O 2.83Å; V195-C213 PolarHBondContact O-N 3.34Å; V195-V219 HydrophobicContact CG2-CG1 4.49Å; V195-V219 HydrophobicContact CG2-CG2 3.72Å; V195-I222 HydrophobicContact CG1-CD1 4.01Å; V195-I222 HydrophobicContact CG2-CD1 4.16Å; V195-I222 HydrophobicContact CG2-CG1 4.49Å; V195-I232 HydrophobicContact CG1-CD1 3.86Å; V195-C234 HydrophobicContact CG2-CB 4.03Å |
| 196 | N | 98.1 | Very high | 96.5 | Very high | 5 Ų | 5 | 38.4 Ų | 38.4 | 3% | 0.027 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 137 | -174 | -69.5 | -38 | 0 | 0 | 0 | 110.6 | T168 H169 V187 S188 F198 L209 T212 | T168-N196 HydrophobicContact CG2-CB 4.15Å; T168-N196 WeakPolarHBondContact CG2-ND2 3.48Å; T168-N196 PolarHBondContact O-ND2 3.04Å; H169-N196 PolarHBondContact CE1-ND2 2.99Å; V187-N196 CarbonylContact C-O 3.52Å; V187-N196 VanDerWaalsContact CA-O 3.28Å; V187-N196 WeakPolarHBondContact CA-O 3.46Å; V187-N196 WeakPolarHBondContact CG2-O 3.31Å; S188-N196 PolarHBondContact N-O 3.03Å; S188-N196 PolarHBondContact O-N 3.37Å; N196-F198 HydrophobicContact CB-CD2 4.33Å; N196-F198 HydrophobicContact CB-CE2 3.47Å; N196-F198 VanDerWaalsContact CB-CE2 3.47Å; N196-F198 HydrophobicContact CB-CZ 3.89Å; N196-L209 HydrophobicContact CB-CD1 3.93Å; N196-T212 VanDerWaalsContact OD1-CB 3.27Å; N196-T212 WeakPolarHBondContact OD1-CB 3.34Å; N196-T212 WeakPolarHBondContact OD1-CG2 3.37Å; N196-T212 PolarHBondContact OD1-OG1 2.81Å |
| 197 | V | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 131.8 | 178.1 | -178 | 0 | 0 | 0 | 0 | 108.8 | M185 V186 V187 V210 T211 W224 I232 L246 | M185-V197 HydrophobicContact CE-CG1 3.37Å; V186-V197 WeakPolarHBondContact O-CA 3.37Å; V187-V197 HydrophobicContact CB-CG2 4.33Å; V187-V197 HydrophobicContact CG2-CG2 3.97Å; V197-V210 HydrophobicContact CB-CB 4.46Å; V197-V210 HydrophobicContact CG1-CB 4.27Å; V197-V210 WeakPolarHBondContact O-CB 3.43Å; V197-V210 PolarHBondContact O-N 2.92Å; V197-T211 HydrophobicContact CB-CG2 3.93Å; V197-T211 HydrophobicContact CG2-CG2 3.9Å; V197-T211 PolarHBondContact N-O 3.29Å; V197-T211 PolarHBondContact O-N 2.94Å; V197-W224 HydrophobicContact CG1-CH2 3.83Å; V197-I232 HydrophobicContact CG2-CD1 3.78Å; V197-L246 HydrophobicContact CG2-CD1 4.28Å |
| 198 | F | 97.9 | Very high | 96.2 | Very high | 3 Ų | 3 | 43.7 Ų | 43.7 | 1% | 0.013 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 147.1 | -177.5 | -63.1 | -89.6 | 0 | 0 | 0 | 112.9 | L143 Y165 T168 M185 V186 N196 I200 A208 L209 | L143-F198 HydrophobicContact CD1-CD2 4.32Å; L143-F198 HydrophobicContact CD1-CE2 3.88Å; Y165-F198 AromaticContact CD2-CD1 3.92Å; Y165-F198 HydrophobicContact CD2-CD1 3.92Å; Y165-F198 AromaticContact CD2-CE1 3.91Å; Y165-F198 HydrophobicContact CD2-CE1 3.91Å; Y165-F198 HydrophobicContact CD2-CE2 4.49Å; Y165-F198 HydrophobicContact CD2-CG 4.24Å; Y165-F198 HydrophobicContact CD2-CZ 4.2Å; Y165-F198 HydrophobicContact CE2-CB 4.17Å; Y165-F198 AromaticContact CE2-CD1 3.6Å; Y165-F198 HydrophobicContact CE2-CD1 3.6Å; Y165-F198 HydrophobicContact CE2-CD2 4.49Å; Y165-F198 HydrophobicContact CE2-CE1 4.06Å; Y165-F198 AromaticContact CE2-CG 3.85Å; Y165-F198 HydrophobicContact CE2-CG 3.85Å; T168-F198 HydrophobicContact CG2-CE2 3.62Å; T168-F198 HydrophobicContact CG2-CZ 3.42Å; T168-F198 VanDerWaalsContact CG2-CZ 3.42Å; T168-F198 WeakPolarHBondContact OG1-CZ 3.48Å; M185-F198 WeakPolarHBondContact CA-O 3.28Å; V186-F198 HydrophobicContact CG1-CB 3.82Å; V186-F198 HydrophobicContact CG1-CD2 4.43Å; V186-F198 PolarHBondContact N-O 2.92Å; V186-F198 PolarHBondContact O-N 2.86Å; N196-F198 HydrophobicContact CB-CD2 4.33Å; N196-F198 HydrophobicContact CB-CE2 3.47Å; N196-F198 VanDerWaalsContact CB-CE2 3.47Å; N196-F198 HydrophobicContact CB-CZ 3.89Å; F198-I200 HydrophobicContact CB-CG2 4.38Å; F198-A208 CarbonylContact C-O 3.49Å; F198-A208 WeakPolarHBondContact CA-O 3.35Å; F198-A208 HydrophobicContact CD1-CB 4.19Å; F198-L209 HydrophobicContact CD1-CB 4.16Å; F198-L209 HydrophobicContact CD1-CD1 4.23Å; F198-L209 HydrophobicContact CE1-CB 3.85Å; F198-L209 HydrophobicContact CE1-CD1 3.69Å; F198-L209 HydrophobicContact CE1-CG 4.36Å; F198-L209 HydrophobicContact CE2-CD1 4.34Å; F198-L209 HydrophobicContact CZ-CD1 3.74Å |
| 199 | D | 97.1 | Very high | 96 | Very high | 45 Ų | 45 | 47 Ų | 47 | 24% | 0.241 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 102.3 | 159 | -174.1 | -12.3 | 0 | 0 | 0 | 109.3 | N184 M185 N201 V202 A208 V210 | N184-D199 WeakPolarHBondContact CB-OD1 3.4Å; N184-D199 CarbonylContact O-C 3.53Å; N184-D199 WeakPolarHBondContact O-CA 3.27Å; M185-D199 HydrophobicContact SD-CB 3.93Å; D199-N201 PolarHBondContact O-N 3.11Å; D199-N201 VanDerWaalsContact OD1-CB 3.3Å; D199-N201 WeakPolarHBondContact OD1-CB 3.42Å; D199-N201 PolarHBondContact OD1-N 3.32Å; D199-V202 HydrophobicContact CB-CG2 4.4Å; D199-V202 PolarHBondContact O-N 2.97Å; D199-A208 PolarHBondContact N-O 3.12Å; D199-A208 WeakPolarHBondContact O-CB 3.31Å; D199-V210 HydrophobicContact CB-CG2 3.97Å |
| 200 | I | 97 | Very high | 95.8 | Very high | 33 Ų | 33 | 49.3 Ų | 49.3 | 17% | 0.169 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 7.6 | -177.1 | 64.4 | 153.7 | 0 | 0 | 0 | 113.8 | I129 F145 Y165 F178 N184 V186 F198 V202 | I129-I200 HydrophobicContact CB-CD1 4.33Å; I129-I200 HydrophobicContact CG1-CD1 4.29Å; I129-I200 HydrophobicContact CG2-CD1 3.96Å; F145-I200 HydrophobicContact CE1-CG2 3.77Å; F145-I200 HydrophobicContact CZ-CG2 4.05Å; Y165-I200 HydrophobicContact CE2-CG2 4.3Å; F178-I200 HydrophobicContact CE1-CD1 3.88Å; F178-I200 HydrophobicContact CZ-CD1 4.42Å; N184-I200 HydrophobicContact CB-CG1 4.45Å; N184-I200 WeakPolarHBondContact O-CG1 3.11Å; N184-I200 PolarHBondContact O-N 2.86Å; V186-I200 HydrophobicContact CG1-CG2 3.64Å; F198-I200 HydrophobicContact CB-CG2 4.38Å; I200-V202 VanDerWaalsContact C-N 3.29Å |
| 201 | N | 95.9 | Very high | 95.6 | Very high | 112 Ų | 112 | 50 Ų | 50 | 60% | 0.599 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -0.8 | 168.4 | -172 | 68.9 | 0 | 0 | 0 | 112.5 | N184 D199 | N184-N201 HydrophobicContact CB-CB 4.05Å; N184-N201 WeakPolarHBondContact ND2-CB 3.29Å; D199-N201 PolarHBondContact O-N 3.11Å; D199-N201 VanDerWaalsContact OD1-CB 3.3Å; D199-N201 WeakPolarHBondContact OD1-CB 3.42Å; D199-N201 PolarHBondContact OD1-N 3.32Å |
| 202 | V | 94.8 | Very high | 95.5 | Very high | 51 Ų | 51 | 51.2 Ų | 51.2 | 31% | 0.309 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -97.3 | 132.9 | 172 | -176.5 | 0 | 0 | 0 | 0 | 108.8 | D199 I200 N204 D207 A208 | D199-V202 HydrophobicContact CB-CG2 4.4Å; D199-V202 PolarHBondContact O-N 2.97Å; I200-V202 VanDerWaalsContact C-N 3.29Å; V202-N204 PolarHBondContact O-N 3.49Å; V202-D207 HydrophobicContact CG1-CB 3.57Å; V202-A208 HydrophobicContact CB-CB 4.07Å |
| 203 | D | 86.6 | Confident | 95.4 | Very high | 173 Ų | 173 | 49.4 Ų | 49.4 | 93% | 0.925 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -72.1 | -24.8 | -168.7 | -68.3 | -26.9 | 0 | 0 | 0 | 114.4 | ||
| 204 | N | 90.7 | Very high | 95.3 | Very high | 73 Ų | 73 | 53.8 Ų | 53.8 | 39% | 0.39 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -109.2 | 137.4 | -174.5 | 174.5 | 48.2 | 0 | 0 | 0 | 111.2 | V202 E206 D207 A208 | V202-N204 PolarHBondContact O-N 3.49Å; N204-E206 PolarHBondContact O-N 2.83Å; N204-D207 HydrophobicContact CB-CB 4.35Å; N204-D207 PolarHBondContact ND2-OD2 2.84Å; N204-D207 PolarHBondContact O-N 3.2Å; N204-A208 WeakPolarHBondContact O-CB 3.19Å; N204-A208 PolarHBondContact O-N 3.4Å |
| 205 | E | 93.9 | Very high | 95.2 | Very high | 32 Ų | 32 | 51.5 Ų | 51.5 | 15% | 0.15 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.7 | -47.4 | -177.3 | 176.8 | 176.6 | 176.7 | 0 | 0 | 112.5 | Y165 S166 E167 T168 D207 A208 L209 | Y165-E205 WeakPolarHBondContact CA-OE2 3.18Å; Y165-E205 VanDerWaalsContact CB-CD 3.41Å; Y165-E205 WeakPolarHBondContact CB-OE1 3.13Å; Y165-E205 HydrophobicContact CD1-CB 3.77Å; Y165-E205 HydrophobicContact CD1-CG 3.89Å; Y165-E205 HydrophobicContact CD2-CG 4.34Å; Y165-E205 HydrophobicContact CE1-CB 4.16Å; Y165-E205 HydrophobicContact CG-CB 4.22Å; Y165-E205 HydrophobicContact CG-CG 3.79Å; S166-E205 PolarHBondContact N-OE1 3.37Å; S166-E205 PolarHBondContact N-OE2 3.49Å; E167-E205 VanDerWaalsContact C-OE1 3.31Å; E167-E205 WeakPolarHBondContact CA-OE1 3.48Å; E167-E205 PolarHBondContact N-OE1 2.81Å; E167-E205 PolarHBondContact N-OE2 2.92Å; T168-E205 PolarHBondContact N-OE1 3.3Å; T168-E205 PolarHBondContact OG1-OE1 3.49Å; E205-D207 VanDerWaalsContact C-N 3.35Å; E205-D207 PolarHBondContact O-N 3.37Å; E205-A208 PolarHBondContact O-N 3.2Å; E205-L209 PolarHBondContact O-N 3.39Å; E205-L209 VanDerWaalsContact O-N 3.14Å |
| 206 | E | 93.3 | Very high | 95.1 | Very high | 160 Ų | 160 | 56.7 Ų | 56.7 | 75% | 0.748 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -62.2 | -42.5 | -178.3 | -174.6 | -177.6 | -178.5 | 0 | 0 | 111.5 | N204 L209 | N204-E206 PolarHBondContact O-N 2.83Å; E206-L209 PolarHBondContact O-N 3.08Å |
| 207 | D | 93.5 | Very high | 95 | Very high | 112 Ų | 112 | 57.8 Ų | 57.8 | 60% | 0.599 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -77.6 | -24.5 | 178.6 | -61.7 | -51.8 | 0 | 0 | 0 | 112.6 | V202 N204 E205 L209 | V202-D207 HydrophobicContact CG1-CB 3.57Å; N204-D207 HydrophobicContact CB-CB 4.35Å; N204-D207 PolarHBondContact ND2-OD2 2.84Å; N204-D207 PolarHBondContact O-N 3.2Å; E205-D207 VanDerWaalsContact C-N 3.35Å; E205-D207 PolarHBondContact O-N 3.37Å; D207-L209 VanDerWaalsContact C-N 3.3Å |
| 208 | A | 95.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -73.9 | -23.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | Y165 F198 D199 V202 N204 E205 V210 | Y165-A208 HydrophobicContact CE2-CB 4.49Å; Y165-A208 WeakPolarHBondContact OH-CB 3.25Å; F198-A208 CarbonylContact C-O 3.49Å; F198-A208 WeakPolarHBondContact CA-O 3.35Å; F198-A208 HydrophobicContact CD1-CB 4.19Å; D199-A208 PolarHBondContact N-O 3.12Å; D199-A208 WeakPolarHBondContact O-CB 3.31Å; V202-A208 HydrophobicContact CB-CB 4.07Å; N204-A208 WeakPolarHBondContact O-CB 3.19Å; N204-A208 PolarHBondContact O-N 3.4Å; E205-A208 PolarHBondContact O-N 3.2Å; A208-V210 PolarHBondContact O-N 3.04Å; A208-V210 VanDerWaalsContact O-N 3.13Å |
| 209 | L | 95.7 | Very high | 95.1 | Very high | 70 Ų | 70 | 58.9 Ų | 58.9 | 37% | 0.366 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 108.4 | 177.8 | -178.2 | 65.6 | 0 | 0 | 0 | 110.1 | N196 F198 E205 E206 D207 | N196-L209 HydrophobicContact CB-CD1 3.93Å; F198-L209 HydrophobicContact CD1-CB 4.16Å; F198-L209 HydrophobicContact CD1-CD1 4.23Å; F198-L209 HydrophobicContact CE1-CB 3.85Å; F198-L209 HydrophobicContact CE1-CD1 3.69Å; F198-L209 HydrophobicContact CE1-CG 4.36Å; F198-L209 HydrophobicContact CE2-CD1 4.34Å; F198-L209 HydrophobicContact CZ-CD1 3.74Å; E205-L209 PolarHBondContact O-N 3.39Å; E205-L209 VanDerWaalsContact O-N 3.14Å; E206-L209 PolarHBondContact O-N 3.08Å; D207-L209 VanDerWaalsContact C-N 3.3Å |
| 210 | V | 94.4 | Very high | 95.1 | Very high | 48 Ų | 48 | 58.7 Ų | 58.7 | 29% | 0.291 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | -45 | 179.4 | 174.4 | 0 | 0 | 0 | 0 | 110.8 | M185 V197 D199 A208 L249 | M185-V210 HydrophobicContact CE-CG2 4.18Å; M185-V210 HydrophobicContact SD-CG2 4.44Å; V197-V210 HydrophobicContact CB-CB 4.46Å; V197-V210 HydrophobicContact CG1-CB 4.27Å; V197-V210 WeakPolarHBondContact O-CB 3.43Å; V197-V210 PolarHBondContact O-N 2.92Å; D199-V210 HydrophobicContact CB-CG2 3.97Å; A208-V210 PolarHBondContact O-N 3.04Å; A208-V210 VanDerWaalsContact O-N 3.13Å; V210-L249 HydrophobicContact CG1-CD1 3.6Å; V210-L249 HydrophobicContact CG1-CD2 3.62Å; V210-L249 HydrophobicContact CG1-CG 4.24Å |
| 211 | T | 94.9 | Very high | 95.1 | Very high | 14 Ų | 14 | 58 Ų | 58 | 9% | 0.086 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.5 | 158.8 | 177.7 | -165.9 | 0 | 0 | 0 | 0 | 112.1 | V197 L246 L249 P254 | V197-T211 HydrophobicContact CB-CG2 3.93Å; V197-T211 HydrophobicContact CG2-CG2 3.9Å; V197-T211 PolarHBondContact N-O 3.29Å; V197-T211 PolarHBondContact O-N 2.94Å; T211-L246 HydrophobicContact CG2-CD2 3.79Å; T211-L249 HydrophobicContact CG2-CD2 4.49Å; T211-P254 WeakPolarHBondContact OG1-CD 3.01Å |
| 212 | T | 95.8 | Very high | 95.2 | Very high | 56 Ų | 56 | 52.8 Ų | 52.8 | 34% | 0.344 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 126.1 | 173.4 | -62.4 | 0 | 0 | 0 | 0 | 109.5 | L194 N196 | L194-T212 HydrophobicContact CB-CG2 4.38Å; L194-T212 HydrophobicContact CD1-CG2 4.37Å; L194-T212 HydrophobicContact CD2-CG2 4.08Å; N196-T212 VanDerWaalsContact OD1-CB 3.27Å; N196-T212 WeakPolarHBondContact OD1-CB 3.34Å; N196-T212 WeakPolarHBondContact OD1-CG2 3.37Å; N196-T212 PolarHBondContact OD1-OG1 2.81Å |
| 213 | C | 96.1 | Very high | 95.4 | Very high | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.014 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 142 | 172.5 | -61.4 | 0 | 0 | 0 | 0 | 109.4 | L194 V195 W244 P254 | L194-C213 WeakPolarHBondContact CA-O 3.48Å; V195-C213 HydrophobicContact CB-CB 4.12Å; V195-C213 PolarHBondContact N-O 2.83Å; V195-C213 PolarHBondContact O-N 3.34Å; C213-W244 HydrophobicContact CB-CD2 3.76Å; C213-W244 HydrophobicContact CB-CE3 4.03Å; C213-W244 HydrophobicContact CB-CG 4.27Å; C213-W244 HydrophobicContact CB-CH2 3.95Å; C213-W244 HydrophobicContact CB-CZ2 3.75Å; C213-W244 HydrophobicContact CB-CZ3 4.12Å; C213-P254 HydrophobicContact CB-CG 4.49Å; C213-P254 WeakPolarHBondContact SG-CG 3.45Å |
| 214 | N | 96.5 | Very high | 96 | Very high | 92 Ų | 92 | 43.3 Ų | 43.3 | 49% | 0.492 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 113.2 | -179.7 | -168.8 | -21.7 | 0 | 0 | 0 | 110.6 | L194 I216 | L194-N214 HydrophobicContact CD2-CB 4.21Å; N214-I216 VanDerWaalsContact OD1-CA 3.3Å; N214-I216 WeakPolarHBondContact OD1-CA 3.37Å; N214-I216 WeakPolarHBondContact OD1-CG2 3.31Å; N214-I216 PolarHBondContact OD1-N 3.24Å |
| 215 | S | 95.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | -93.2 | 1.6 | 175.8 | 70 | 0 | 0 | 0 | 0 | 113.5 | G193 S217 V219 C234 Y242 | G193-S215 PolarHBondContact O-N 3.25Å; G193-S215 PolarHBondContact O-OG 2.83Å; S215-S217 PolarHBondContact O-N 3.15Å; S215-S217 PolarHBondContact OG-O 3.03Å; S215-V219 WeakPolarHBondContact OG-CG2 3.44Å; S215-C234 VanDerWaalsContact CB-SG 3.51Å; S215-Y242 WeakPolarHBondContact O-CE1 3.42Å; S215-Y242 WeakPolarHBondContact O-CE2 3.16Å; S215-Y242 PolarHBondContact O-OH 3.05Å | ||
| 216 | I | 95.1 | Very high | 96.4 | Very high | 110 Ų | 110 | 38.3 Ų | 38.3 | 56% | 0.564 | 21% | 0.212 | S | C | * | . | S | Bend | trans | 55.8 | -4.4 | 178.3 | 64.4 | 165.5 | 0 | 0 | 0 | 116.5 | N214 Y242 | N214-I216 VanDerWaalsContact OD1-CA 3.3Å; N214-I216 WeakPolarHBondContact OD1-CA 3.37Å; N214-I216 WeakPolarHBondContact OD1-CG2 3.31Å; N214-I216 PolarHBondContact OD1-N 3.24Å; I216-Y242 HydrophobicContact CG1-CE1 4.26Å; I216-Y242 VanDerWaalsContact CG1-OH 3.23Å; I216-Y242 WeakPolarHBondContact CG1-OH 3.21Å |
| 217 | S | 97.3 | Very high | 96.4 | Very high | 27 Ų | 27 | 38.7 Ų | 38.7 | 19% | 0.189 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -147.6 | 160 | -176.8 | -169.6 | 0 | 0 | 0 | 0 | 110.7 | G193 S215 V219 D238 | G193-S217 WeakPolarHBondContact CA-O 3.34Å; S215-S217 PolarHBondContact O-N 3.15Å; S215-S217 PolarHBondContact OG-O 3.03Å; S217-V219 PolarHBondContact O-N 3.13Å; S217-D238 VanDerWaalsContact CB-OD2 3.32Å; S217-D238 WeakPolarHBondContact CB-OD2 3.35Å; S217-D238 PolarHBondContact OG-OD1 3.03Å; S217-D238 VanDerWaalsContact OG-OD1 3.13Å; S217-D238 PolarHBondContact OG-OD2 3.47Å |
| 218 | S | 98.3 | Very high | 96.4 | Very high | 26 Ų | 26 | 35.5 Ų | 35.5 | 18% | 0.182 | 20% | 0.204 | C | C | . | . | trans | -56.8 | 122.6 | -173.6 | 170.6 | 0 | 0 | 0 | 0 | 111.8 | S191 T236 H237 | S191-S218 WeakPolarHBondContact CA-OG 2.88Å; S191-S218 PolarHBondContact OG-OG 3.14Å; S191-S218 VanDerWaalsContact OG-OG 3.12Å; S218-T236 CarbonylContact O-C 3.48Å; S218-T236 WeakPolarHBondContact O-CA 3.42Å; S218-T236 WeakPolarHBondContact O-CB 3.3Å; S218-H237 PolarHBondContact O-N 3.39Å; S218-H237 PolarHBondContact O-ND1 2.92Å; S218-H237 PolarHBondContact OG-CE1 2.88Å; S218-H237 PolarHBondContact OG-ND1 3.27Å | ||
| 219 | V | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 132.7 | -177.1 | 178.5 | 0 | 0 | 0 | 0 | 110.7 | T174 S190 V195 S215 S217 I222 C234 H237 | T174-V219 VanDerWaalsContact CB-O 3.25Å; T174-V219 WeakPolarHBondContact CB-O 3.44Å; T174-V219 PolarHBondContact OG1-O 3.1Å; S190-V219 WeakPolarHBondContact O-CG2 3.43Å; S190-V219 PolarHBondContact O-N 2.95Å; V195-V219 HydrophobicContact CG2-CG1 4.49Å; V195-V219 HydrophobicContact CG2-CG2 3.72Å; S215-V219 WeakPolarHBondContact OG-CG2 3.44Å; S217-V219 PolarHBondContact O-N 3.13Å; V219-I222 HydrophobicContact CG1-CD1 3.74Å; V219-I222 HydrophobicContact CG1-CG1 3.53Å; V219-C234 HydrophobicContact CG1-CB 4.15Å; V219-H237 PolarHBondContact O-CE1 3.25Å; V219-H237 PolarHBondContact O-ND1 2.89Å |
| 220 | S | 97.5 | Very high | 96.3 | Very high | 41 Ų | 41 | 38.8 Ų | 38.8 | 29% | 0.287 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | -35.5 | 178 | 64.3 | 0 | 0 | 0 | 0 | 112.7 | Q175 M235 T236 | Q175-S220 PolarHBondContact NE2-O 3.01Å; S220-M235 PolarHBondContact N-O 2.84Å; S220-M235 PolarHBondContact OG-O 3.02Å; S220-M235 VanDerWaalsContact OG-O 3.14Å; S220-T236 VanDerWaalsContact OG-C 3.27Å; S220-T236 PolarHBondContact OG-O 3.12Å |
| 221 | C | 97.4 | Very high | 96.4 | Very high | 20 Ų | 20 | 37.7 Ų | 37.7 | 14% | 0.135 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 145.4 | 179.6 | -179.8 | 0 | 0 | 0 | 0 | 110.7 | C234 M235 | C221-C234 CarbonylContact O-C 3.54Å; C221-C234 WeakPolarHBondContact O-CA 3.33Å; C221-C234 WeakPolarHBondContact O-CB 3.33Å; C221-M235 HydrophobicContact CB-CB 4.2Å; C221-M235 HydrophobicContact CB-SD 4.31Å; C221-M235 PolarHBondContact N-O 2.82Å; C221-M235 PolarHBondContact O-N 2.79Å |
| 222 | I | 98.3 | Very high | 96.5 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 149.7 | 173.1 | -62.6 | 164.9 | 0 | 0 | 0 | 108.8 | Q175 V187 S188 V195 V219 Y233 C234 | Q175-I222 HydrophobicContact CB-CD1 4.05Å; Q175-I222 HydrophobicContact CB-CG1 4.37Å; Q175-I222 HydrophobicContact CG-CB 4.22Å; V187-I222 HydrophobicContact CB-CG2 4.4Å; V187-I222 HydrophobicContact CG1-CG2 3.54Å; V187-I222 HydrophobicContact CG2-CG2 3.88Å; S188-I222 VanDerWaalsContact C-CD1 3.49Å; V195-I222 HydrophobicContact CG1-CD1 4.01Å; V195-I222 HydrophobicContact CG2-CD1 4.16Å; V195-I222 HydrophobicContact CG2-CG1 4.49Å; V219-I222 HydrophobicContact CG1-CD1 3.74Å; V219-I222 HydrophobicContact CG1-CG1 3.53Å; I222-Y233 WeakPolarHBondContact CA-O 3.48Å; I222-C234 HydrophobicContact CG1-CB 3.84Å |
| 223 | G | 97.9 | Very high | 96.7 | Very high | 7 Ų | 7 | 35.1 Ų | 35.1 | 7% | 0.072 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 162.2 | 166.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | I232 Y233 | G223-I232 WeakPolarHBondContact O-CA 3.36Å; G223-Y233 VanDerWaalsContact C-CE1 3.5Å; G223-Y233 VanDerWaalsContact CA-CZ 3.49Å; G223-Y233 PolarHBondContact N-O 2.65Å; G223-Y233 VanDerWaalsContact O-CD1 3.28Å; G223-Y233 WeakPolarHBondContact O-CD1 3.32Å; G223-Y233 WeakPolarHBondContact O-CE1 3.24Å; G223-Y233 PolarHBondContact O-N 3.47Å |
| 224 | W | 98.3 | Very high | 96.8 | Very high | 17 Ų | 17 | 35 Ų | 35 | 6% | 0.064 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 145.5 | 175.1 | -61.2 | 90.8 | 0 | 0 | 0 | 110.4 | R177 F178 H179 P180 M185 V187 V197 Y229 Q231 I232 L246 | R177-W224 PolarHBondContact O-NE1 3.48Å; F178-W224 PolarHBondContact O-NE1 3.19Å; H179-W224 HydrophobicContact CB-CD2 4.31Å; H179-W224 HydrophobicContact CB-CH2 4.29Å; H179-W224 HydrophobicContact CB-CZ2 3.89Å; H179-W224 AromaticContact CD2-CD2 3.99Å; H179-W224 AromaticContact CD2-CE3 3.64Å; H179-W224 AromaticContact CD2-CZ3 3.65Å; P180-W224 HydrophobicContact CG-CB 4.23Å; M185-W224 HydrophobicContact CB-CH2 4.22Å; M185-W224 HydrophobicContact CB-CZ2 4.47Å; M185-W224 HydrophobicContact CE-CH2 4.23Å; V187-W224 HydrophobicContact CB-CH2 4.45Å; V187-W224 HydrophobicContact CB-CZ2 3.79Å; V187-W224 HydrophobicContact CG1-CZ2 3.84Å; V197-W224 HydrophobicContact CG1-CH2 3.83Å; W224-Y229 HydrophobicContact CB-CD1 3.61Å; W224-Y229 HydrophobicContact CB-CE1 4.46Å; W224-Y229 HydrophobicContact CB-CG 4.25Å; W224-Q231 CarbonylContact C-O 3.58Å; W224-Q231 WeakPolarHBondContact CA-O 3.34Å; W224-I232 HydrophobicContact CD2-CG2 3.83Å; W224-I232 HydrophobicContact CE3-CG2 3.39Å; W224-I232 HydrophobicContact CH2-CG2 4.3Å; W224-I232 HydrophobicContact CZ3-CG2 3.66Å; W224-L246 HydrophobicContact CZ3-CD1 3.81Å |
| 225 | S | 97.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 178.8 | 179 | 67.9 | 0 | 0 | 0 | 0 | 111.9 | Y229 K230 Q231 W243 | S225-Y229 CarbonylContact O-C 3.56Å; S225-Y229 VanDerWaalsContact O-CA 3.27Å; S225-Y229 WeakPolarHBondContact O-CA 3.47Å; S225-K230 PolarHBondContact O-N 2.83Å; S225-Q231 PolarHBondContact N-O 2.87Å; S225-Q231 WeakPolarHBondContact O-CA 3.38Å; S225-Q231 WeakPolarHBondContact O-CB 3.27Å; S225-Q231 PolarHBondContact O-N 3.07Å; S225-Q231 VanDerWaalsContact O-O 3.12Å; S225-Q231 WeakPolarHBondContact OG-CB 3.38Å; S225-W243 PolarHBondContact OG-NE1 2.68Å |
| 226 | G | 95.4 | Very high | 97 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | S | Bend | trans | 74.9 | 160.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | G228 Y229 Q231 Y282 | G226-G228 PolarHBondContact O-N 3.41Å; G226-G228 VanDerWaalsContact O-N 3.13Å; G226-Y229 WeakPolarHBondContact O-CA 3.32Å; G226-Y229 PolarHBondContact O-N 3.32Å; G226-Q231 VanDerWaalsContact CA-OE1 3.3Å; G226-Y282 VanDerWaalsContact N-CZ 3.32Å; G226-Y282 WeakPolarHBondContact O-CE1 3.19Å; G226-Y282 PolarHBondContact O-OH 3.43Å; G226-Y282 VanDerWaalsContact O-OH 3.13Å |
| 227 | K | 93.8 | Very high | 97.1 | Very high | 168 Ų | 168 | 30.8 Ų | 30.8 | 73% | 0.73 | 16% | 0.163 | S | C | * | . | G | 310 helix | trans | -54.3 | 121.2 | -177.2 | -174.2 | 175.7 | -179.1 | 177.8 | 0 | 111.8 | Y229 Y282 D287 | K227-Y229 PolarHBondContact O-N 2.75Å; K227-Y282 WeakPolarHBondContact CA-OH 3.44Å; K227-Y282 PolarHBondContact N-OH 2.84Å; K227-Y282 VanDerWaalsContact N-OH 3.13Å; K227-D287 PolarHBondContact N-OD1 3.32Å |
| 228 | G | 93.3 | Very high | 97.1 | Very high | 45 Ų | 45 | 32.6 Ų | 32.6 | 46% | 0.464 | 17% | 0.171 | S | C | . | . | G | 310 helix | trans | 71.7 | 18.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | H179 G226 K230 | H179-G228 PolarHBondContact NE2-O 3.48Å; G226-G228 PolarHBondContact O-N 3.41Å; G226-G228 VanDerWaalsContact O-N 3.13Å; G228-K230 VanDerWaalsContact C-N 3.29Å; G228-K230 PolarHBondContact O-N 2.91Å |
| 229 | Y | 95.9 | Very high | 97.1 | Very high | 34 Ų | 34 | 33.2 Ų | 33.2 | 13% | 0.133 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | 58.1 | 38.5 | 179 | -63.5 | -76.9 | 0 | 0 | 0 | 113.8 | H179 P180 W224 S225 G226 K227 Q231 Y282 E284 | H179-Y229 VanDerWaalsContact NE2-CB 3.28Å; H179-Y229 WeakPolarHBondContact NE2-CB 3.49Å; H179-Y229 PolarHBondContact NE2-O 2.76Å; P180-Y229 HydrophobicContact CB-CD1 4.4Å; P180-Y229 HydrophobicContact CB-CD2 4.06Å; P180-Y229 HydrophobicContact CB-CE1 4.04Å; P180-Y229 HydrophobicContact CB-CE2 3.69Å; P180-Y229 HydrophobicContact CB-CG 4.38Å; P180-Y229 HydrophobicContact CG-CD1 3.71Å; P180-Y229 HydrophobicContact CG-CD2 4.18Å; P180-Y229 HydrophobicContact CG-CE1 3.55Å; P180-Y229 HydrophobicContact CG-CE2 4.06Å; P180-Y229 HydrophobicContact CG-CG 3.99Å; W224-Y229 HydrophobicContact CB-CD1 3.61Å; W224-Y229 HydrophobicContact CB-CE1 4.46Å; W224-Y229 HydrophobicContact CB-CG 4.25Å; S225-Y229 CarbonylContact O-C 3.56Å; S225-Y229 VanDerWaalsContact O-CA 3.27Å; S225-Y229 WeakPolarHBondContact O-CA 3.47Å; G226-Y229 WeakPolarHBondContact O-CA 3.32Å; G226-Y229 PolarHBondContact O-N 3.32Å; K227-Y229 PolarHBondContact O-N 2.75Å; Y229-Q231 VanDerWaalsContact C-N 3.31Å; Y229-Y282 HydrophobicContact CD1-CD1 4.1Å; Y229-Y282 HydrophobicContact CD1-CE1 4.32Å; Y229-Y282 AromaticContact CE1-CD1 3.57Å; Y229-Y282 HydrophobicContact CE1-CD1 3.57Å; Y229-Y282 AromaticContact CE1-CE1 3.99Å; Y229-Y282 HydrophobicContact CE1-CE1 3.99Å; Y229-E284 VanDerWaalsContact OH-CD 3.28Å; Y229-E284 PolarHBondContact OH-OE1 2.98Å |
| 230 | K | 94 | Very high | 97.1 | Very high | 106 Ų | 106 | 33.2 Ų | 33.2 | 46% | 0.461 | 17% | 0.171 | S | C | . | . | trans | -92.2 | 12.6 | -178.8 | -59.8 | -166 | 179.9 | -168.7 | 0 | 114.1 | S225 G228 L246 N247 | S225-K230 PolarHBondContact O-N 2.83Å; G228-K230 VanDerWaalsContact C-N 3.29Å; G228-K230 PolarHBondContact O-N 2.91Å; K230-L246 WeakPolarHBondContact O-CA 3.45Å; K230-L246 VanDerWaalsContact O-CB 3.24Å; K230-L246 WeakPolarHBondContact O-CB 3.35Å; K230-L246 PolarHBondContact O-N 2.85Å; K230-N247 WeakPolarHBondContact CD-OD1 3.47Å; K230-N247 PolarHBondContact NZ-OD1 3.41Å; K230-N247 VanDerWaalsContact NZ-OD1 3.12Å | ||
| 231 | Q | 96.6 | Very high | 97.1 | Very high | 25 Ų | 25 | 31.2 Ų | 31.2 | 12% | 0.117 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 153.7 | 174.1 | -63.4 | 166.1 | -8.2 | 0 | 0 | 107.9 | W224 S225 G226 Y229 W244 D245 | W224-Q231 CarbonylContact C-O 3.58Å; W224-Q231 WeakPolarHBondContact CA-O 3.34Å; S225-Q231 PolarHBondContact N-O 2.87Å; S225-Q231 WeakPolarHBondContact O-CA 3.38Å; S225-Q231 WeakPolarHBondContact O-CB 3.27Å; S225-Q231 PolarHBondContact O-N 3.07Å; S225-Q231 VanDerWaalsContact O-O 3.12Å; S225-Q231 WeakPolarHBondContact OG-CB 3.38Å; G226-Q231 VanDerWaalsContact CA-OE1 3.3Å; Y229-Q231 VanDerWaalsContact C-N 3.31Å; Q231-W244 VanDerWaalsContact CA-O 3.22Å; Q231-W244 WeakPolarHBondContact CA-O 3.15Å; Q231-W244 VanDerWaalsContact CB-O 3.24Å; Q231-W244 WeakPolarHBondContact CB-O 3.47Å; Q231-D245 HydrophobicContact CG-CB 4.38Å; Q231-D245 PolarHBondContact NE2-OD2 2.95Å |
| 232 | I | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 147.5 | 173.2 | 51.9 | 161.4 | 0 | 0 | 0 | 109 | V187 V195 V197 G223 W224 W243 W244 L246 | V187-I232 HydrophobicContact CG2-CD1 4.31Å; V195-I232 HydrophobicContact CG1-CD1 3.86Å; V197-I232 HydrophobicContact CG2-CD1 3.78Å; G223-I232 WeakPolarHBondContact O-CA 3.36Å; W224-I232 HydrophobicContact CD2-CG2 3.83Å; W224-I232 HydrophobicContact CE3-CG2 3.39Å; W224-I232 HydrophobicContact CH2-CG2 4.3Å; W224-I232 HydrophobicContact CZ3-CG2 3.66Å; I232-W243 WeakPolarHBondContact O-CA 3.22Å; I232-W244 HydrophobicContact CD1-CE3 4.25Å; I232-W244 HydrophobicContact CG1-CB 4.3Å; I232-W244 HydrophobicContact CG1-CE3 4.17Å; I232-W244 PolarHBondContact N-O 2.87Å; I232-W244 VanDerWaalsContact N-O 3.12Å; I232-W244 PolarHBondContact O-N 3.43Å; I232-L246 HydrophobicContact CD1-CD2 4.3Å; I232-L246 HydrophobicContact CG1-CD1 4.21Å; I232-L246 HydrophobicContact CG1-CD2 4.05Å; I232-L246 HydrophobicContact CG1-CG 4.28Å; I232-L246 HydrophobicContact CG2-CD1 3.95Å |
| 233 | Y | 98.6 | Very high | 97.2 | Very high | 16 Ų | 16 | 31.3 Ų | 31.3 | 6% | 0.063 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 153.5 | 169.2 | 67 | -91.1 | 0 | 0 | 0 | 109.8 | I222 G223 M235 F241 Y242 G280 L289 | I222-Y233 WeakPolarHBondContact CA-O 3.48Å; G223-Y233 VanDerWaalsContact C-CE1 3.5Å; G223-Y233 VanDerWaalsContact CA-CZ 3.49Å; G223-Y233 PolarHBondContact N-O 2.65Å; G223-Y233 VanDerWaalsContact O-CD1 3.28Å; G223-Y233 WeakPolarHBondContact O-CD1 3.32Å; G223-Y233 WeakPolarHBondContact O-CE1 3.24Å; G223-Y233 PolarHBondContact O-N 3.47Å; Y233-M235 HydrophobicContact CD2-CE 4.4Å; Y233-M235 HydrophobicContact CE2-CE 4.21Å; Y233-F241 AromaticContact CD2-CE2 3.92Å; Y233-F241 HydrophobicContact CD2-CE2 3.92Å; Y233-F241 HydrophobicContact CG-CE2 4.14Å; Y233-F241 HydrophobicContact CG-CZ 4.38Å; Y233-Y242 CarbonylContact C-O 3.53Å; Y233-Y242 WeakPolarHBondContact CA-O 3.33Å; Y233-Y242 WeakPolarHBondContact CB-O 3.1Å; Y233-G280 VanDerWaalsContact CZ-CA 3.5Å; Y233-G280 VanDerWaalsContact OH-CA 3.23Å; Y233-G280 WeakPolarHBondContact OH-CA 3.46Å; Y233-G280 PolarHBondContact OH-N 3.06Å; Y233-G280 PolarHBondContact OH-O 3.49Å; Y233-L289 HydrophobicContact CD1-CD1 3.84Å; Y233-L289 HydrophobicContact CD1-CD2 3.83Å; Y233-L289 HydrophobicContact CE1-CD1 3.74Å; Y233-L289 HydrophobicContact CG-CD2 4.16Å |
| 234 | C | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 160 | 165.6 | 82.9 | 0 | 0 | 0 | 0 | 111.6 | V195 S215 V219 C221 I222 Y242 W244 | V195-C234 HydrophobicContact CG2-CB 4.03Å; S215-C234 VanDerWaalsContact CB-SG 3.51Å; V219-C234 HydrophobicContact CG1-CB 4.15Å; C221-C234 CarbonylContact O-C 3.54Å; C221-C234 WeakPolarHBondContact O-CA 3.33Å; C221-C234 WeakPolarHBondContact O-CB 3.33Å; I222-C234 HydrophobicContact CG1-CB 3.84Å; C234-Y242 PolarHBondContact N-O 2.81Å; C234-Y242 PolarHBondContact O-N 2.62Å; C234-W244 HydrophobicContact CB-CZ3 4.13Å; C234-W244 VanDerWaalsContact SG-CH2 3.51Å |
| 235 | M | 98.6 | Very high | 97 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 151.2 | 168.3 | -60.6 | 168.9 | -175.5 | 0 | 0 | 107.7 | S220 C221 Y233 G240 F241 L277 V291 | S220-M235 PolarHBondContact N-O 2.84Å; S220-M235 PolarHBondContact OG-O 3.02Å; S220-M235 VanDerWaalsContact OG-O 3.14Å; C221-M235 HydrophobicContact CB-CB 4.2Å; C221-M235 HydrophobicContact CB-SD 4.31Å; C221-M235 PolarHBondContact N-O 2.82Å; C221-M235 PolarHBondContact O-N 2.79Å; Y233-M235 HydrophobicContact CD2-CE 4.4Å; Y233-M235 HydrophobicContact CE2-CE 4.21Å; M235-G240 VanDerWaalsContact CA-O 3.27Å; M235-G240 WeakPolarHBondContact CA-O 3.36Å; M235-F241 HydrophobicContact CE-CD2 4.03Å; M235-F241 HydrophobicContact CE-CE2 4.06Å; M235-F241 HydrophobicContact CG-CD2 4.02Å; M235-L277 HydrophobicContact CB-CD1 4.31Å; M235-L277 HydrophobicContact CG-CB 4.46Å; M235-L277 HydrophobicContact CG-CD1 3.92Å; M235-L277 HydrophobicContact SD-CB 3.73Å; M235-L277 HydrophobicContact SD-CD1 4.12Å; M235-V291 HydrophobicContact CE-CB 4.43Å; M235-V291 HydrophobicContact CE-CG1 3.66Å; M235-V291 HydrophobicContact CE-CG2 4.26Å |
| 236 | T | 98.6 | Very high | 96.7 | Very high | 3 Ų | 3 | 31.7 Ų | 31.7 | 2% | 0.018 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 167.6 | -179.1 | 56.6 | 0 | 0 | 0 | 0 | 111.1 | S218 S220 D238 E239 G240 Y242 | S218-T236 CarbonylContact O-C 3.48Å; S218-T236 WeakPolarHBondContact O-CA 3.42Å; S218-T236 WeakPolarHBondContact O-CB 3.3Å; S220-T236 VanDerWaalsContact OG-C 3.27Å; S220-T236 PolarHBondContact OG-O 3.12Å; T236-D238 WeakPolarHBondContact CB-OD1 3.47Å; T236-D238 PolarHBondContact O-N 2.86Å; T236-D238 PolarHBondContact OG1-OD1 2.93Å; T236-E239 PolarHBondContact O-N 2.81Å; T236-G240 PolarHBondContact N-O 3.02Å; T236-G240 VanDerWaalsContact N-O 3.14Å; T236-G240 WeakPolarHBondContact OG1-CA 3.43Å; T236-G240 PolarHBondContact OG1-N 2.99Å; T236-Y242 HydrophobicContact CG2-CD2 4.15Å; T236-Y242 HydrophobicContact CG2-CE2 3.71Å |
| 237 | H | 97.6 | Very high | 96 | Very high | 108 Ų | 108 | 35.4 Ų | 35.4 | 50% | 0.5 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -12.4 | 177.1 | -75 | 98.8 | 0 | 0 | 0 | 113.6 | S218 V219 | S218-H237 PolarHBondContact O-N 3.39Å; S218-H237 PolarHBondContact O-ND1 2.92Å; S218-H237 PolarHBondContact OG-CE1 2.88Å; S218-H237 PolarHBondContact OG-ND1 3.27Å; V219-H237 PolarHBondContact O-CE1 3.25Å; V219-H237 PolarHBondContact O-ND1 2.89Å |
| 238 | D | 96.8 | Very high | 94.7 | Very high | 65 Ų | 65 | 32.2 Ų | 32.2 | 35% | 0.348 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105 | 22.1 | 172.3 | 59.2 | -1.6 | 0 | 0 | 0 | 112.6 | S217 T236 G240 | S217-D238 VanDerWaalsContact CB-OD2 3.32Å; S217-D238 WeakPolarHBondContact CB-OD2 3.35Å; S217-D238 PolarHBondContact OG-OD1 3.03Å; S217-D238 VanDerWaalsContact OG-OD1 3.13Å; S217-D238 PolarHBondContact OG-OD2 3.47Å; T236-D238 WeakPolarHBondContact CB-OD1 3.47Å; T236-D238 PolarHBondContact O-N 2.86Å; T236-D238 PolarHBondContact OG1-OD1 2.93Å; D238-G240 VanDerWaalsContact C-N 3.27Å; D238-G240 PolarHBondContact O-N 2.79Å |
| 239 | E | 97.6 | Very high | 93.1 | Very high | 39 Ų | 39 | 34.2 Ų | 34.2 | 18% | 0.182 | 16% | 0.163 | C | C | . | . | S | Bend | trans | 66.7 | 23.6 | 170.5 | -65.7 | 70.4 | -158.3 | 0 | 0 | 115.1 | T236 V263 R264 | T236-E239 PolarHBondContact O-N 2.81Å; E239-V263 WeakPolarHBondContact O-CB 3.45Å; E239-V263 WeakPolarHBondContact O-CG2 3.45Å; E239-V263 PolarHBondContact O-N 3.28Å; E239-R264 HydrophobicContact CB-CG 4.25Å; E239-R264 VanDerWaalsContact CD-NH1 3.29Å; E239-R264 HydrophobicContact CG-CG 4.47Å; E239-R264 IonicContact OE1-NH1 3.9Å; E239-R264 IonicContact OE2-CZ 3.79Å; E239-R264 IonicContact OE2-NH1 3.79Å; E239-R264 PolarHBondContact OE2-NH1 2.96Å; E239-R264 IonicContact OE2-NH2 2.83Å; E239-R264 PolarHBondContact OE2-NH2 2.96Å |
| 240 | G | 98.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -73.2 | 155.9 | 165.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | M235 T236 D238 I260 Q261 | M235-G240 VanDerWaalsContact CA-O 3.27Å; M235-G240 WeakPolarHBondContact CA-O 3.36Å; T236-G240 PolarHBondContact N-O 3.02Å; T236-G240 VanDerWaalsContact N-O 3.14Å; T236-G240 WeakPolarHBondContact OG1-CA 3.43Å; T236-G240 PolarHBondContact OG1-N 2.99Å; D238-G240 VanDerWaalsContact C-N 3.27Å; D238-G240 PolarHBondContact O-N 2.79Å; G240-I260 CarbonylContact C-O 3.48Å; G240-I260 WeakPolarHBondContact CA-O 3.43Å; G240-Q261 WeakPolarHBondContact CA-O 3.25Å; G240-Q261 PolarHBondContact N-O 3.03Å | ||
| 241 | F | 98.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 128.4 | 176.9 | 179.6 | -94.2 | 0 | 0 | 0 | 111.1 | Y233 M235 W243 L258 N259 I260 V263 L277 L289 V291 C305 L310 | Y233-F241 AromaticContact CD2-CE2 3.92Å; Y233-F241 HydrophobicContact CD2-CE2 3.92Å; Y233-F241 HydrophobicContact CG-CE2 4.14Å; Y233-F241 HydrophobicContact CG-CZ 4.38Å; M235-F241 HydrophobicContact CE-CD2 4.03Å; M235-F241 HydrophobicContact CE-CE2 4.06Å; M235-F241 HydrophobicContact CG-CD2 4.02Å; F241-W243 HydrophobicContact CE1-CB 3.92Å; F241-W243 HydrophobicContact CZ-CB 4.27Å; F241-L258 HydrophobicContact CD1-CD2 3.97Å; F241-L258 HydrophobicContact CE1-CD2 3.96Å; F241-N259 WeakPolarHBondContact O-CA 3.21Å; F241-I260 PolarHBondContact N-O 2.88Å; F241-I260 PolarHBondContact O-N 3.25Å; F241-V263 HydrophobicContact CB-CG2 3.56Å; F241-L277 HydrophobicContact CB-CD1 4.43Å; F241-L289 HydrophobicContact CZ-CD2 3.96Å; F241-V291 HydrophobicContact CD2-CG2 3.92Å; F241-V291 HydrophobicContact CE1-CG2 4.45Å; F241-V291 HydrophobicContact CE2-CG2 3.44Å; F241-V291 VanDerWaalsContact CE2-CG2 3.44Å; F241-V291 HydrophobicContact CZ-CG2 3.74Å; F241-C305 VanDerWaalsContact CE1-SG 3.59Å; F241-L310 HydrophobicContact CB-CD1 4.37Å; F241-L310 HydrophobicContact CD1-CD1 4.28Å; F241-L310 HydrophobicContact CD1-CD2 4.41Å; F241-L310 HydrophobicContact CE1-CD2 4.31Å; F241-L310 HydrophobicContact CG-CD1 4.23Å |
| 242 | Y | 98.5 | Very high | 87.6 | Confident | 4 Ų | 4 | 46.3 Ų | 46.3 | 2% | 0.016 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 139.1 | -176.2 | -57.3 | -107 | 0 | 0 | 0 | 109.7 | S215 I216 Y233 C234 T236 W244 L258 N259 | S215-Y242 WeakPolarHBondContact O-CE1 3.42Å; S215-Y242 WeakPolarHBondContact O-CE2 3.16Å; S215-Y242 PolarHBondContact O-OH 3.05Å; I216-Y242 HydrophobicContact CG1-CE1 4.26Å; I216-Y242 VanDerWaalsContact CG1-OH 3.23Å; I216-Y242 WeakPolarHBondContact CG1-OH 3.21Å; Y233-Y242 CarbonylContact C-O 3.53Å; Y233-Y242 WeakPolarHBondContact CA-O 3.33Å; Y233-Y242 WeakPolarHBondContact CB-O 3.1Å; C234-Y242 PolarHBondContact N-O 2.81Å; C234-Y242 PolarHBondContact O-N 2.62Å; T236-Y242 HydrophobicContact CG2-CD2 4.15Å; T236-Y242 HydrophobicContact CG2-CE2 3.71Å; Y242-W244 VanDerWaalsContact CB-CZ2 3.42Å; Y242-W244 HydrophobicContact CD1-CH2 4.29Å; Y242-W244 AromaticContact CD1-CZ2 3.95Å; Y242-W244 HydrophobicContact CD1-CZ2 3.95Å; Y242-W244 AromaticContact CG-CH2 3.88Å; Y242-W244 HydrophobicContact CG-CH2 3.88Å; Y242-W244 AromaticContact CG-CZ2 3.99Å; Y242-W244 HydrophobicContact CG-CZ2 3.99Å; Y242-L258 WeakPolarHBondContact CA-O 3.23Å; Y242-N259 HydrophobicContact CD1-CB 4.16Å; Y242-N259 HydrophobicContact CE1-CB 4.41Å; Y242-N259 WeakPolarHBondContact CE1-ND2 3.25Å; Y242-N259 VanDerWaalsContact CE1-OD1 3.24Å; Y242-N259 WeakPolarHBondContact CE1-OD1 3.49Å |
| 243 | W | 98.3 | Very high | 86.3 | Confident | 20 Ų | 20 | 53.5 Ų | 53.5 | 8% | 0.076 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 127.1 | -177.7 | -179.3 | 36.2 | 0 | 0 | 0 | 110.4 | S225 I232 F241 R257 L258 L289 T307 | S225-W243 PolarHBondContact OG-NE1 2.68Å; I232-W243 WeakPolarHBondContact O-CA 3.22Å; F241-W243 HydrophobicContact CE1-CB 3.92Å; F241-W243 HydrophobicContact CZ-CB 4.27Å; W243-R257 HydrophobicContact CD2-CB 3.8Å; W243-R257 HydrophobicContact CD2-CG 4.41Å; W243-R257 HydrophobicContact CE3-CB 3.62Å; W243-R257 HydrophobicContact CG-CB 4.19Å; W243-R257 HydrophobicContact CZ3-CB 4.16Å; W243-R257 WeakPolarHBondContact O-CA 3.34Å; W243-R257 WeakPolarHBondContact O-CB 3.39Å; W243-R257 PolarHBondContact O-N 3.14Å; W243-L258 HydrophobicContact CB-CB 4.26Å; W243-L258 HydrophobicContact CE3-CB 4.12Å; W243-L258 PolarHBondContact N-O 3.01Å; W243-L258 PolarHBondContact O-N 2.78Å; W243-L289 HydrophobicContact CD2-CD2 4.37Å; W243-L289 HydrophobicContact CG-CD2 4.35Å; W243-T307 HydrophobicContact CZ3-CG2 4.11Å |
| 244 | W | 97.2 | Very high | 85.5 | Confident | 6 Ų | 6 | 53.8 Ų | 53.8 | 2% | 0.023 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 150 | -175.3 | -57.9 | -89.9 | 0 | 0 | 0 | 112.2 | C213 Q231 I232 C234 Y242 P254 V255 T256 | C213-W244 HydrophobicContact CB-CD2 3.76Å; C213-W244 HydrophobicContact CB-CE3 4.03Å; C213-W244 HydrophobicContact CB-CG 4.27Å; C213-W244 HydrophobicContact CB-CH2 3.95Å; C213-W244 HydrophobicContact CB-CZ2 3.75Å; C213-W244 HydrophobicContact CB-CZ3 4.12Å; Q231-W244 VanDerWaalsContact CA-O 3.22Å; Q231-W244 WeakPolarHBondContact CA-O 3.15Å; Q231-W244 VanDerWaalsContact CB-O 3.24Å; Q231-W244 WeakPolarHBondContact CB-O 3.47Å; I232-W244 HydrophobicContact CD1-CE3 4.25Å; I232-W244 HydrophobicContact CG1-CB 4.3Å; I232-W244 HydrophobicContact CG1-CE3 4.17Å; I232-W244 PolarHBondContact N-O 2.87Å; I232-W244 VanDerWaalsContact N-O 3.12Å; I232-W244 PolarHBondContact O-N 3.43Å; C234-W244 HydrophobicContact CB-CZ3 4.13Å; C234-W244 VanDerWaalsContact SG-CH2 3.51Å; Y242-W244 VanDerWaalsContact CB-CZ2 3.42Å; Y242-W244 HydrophobicContact CD1-CH2 4.29Å; Y242-W244 AromaticContact CD1-CZ2 3.95Å; Y242-W244 HydrophobicContact CD1-CZ2 3.95Å; Y242-W244 AromaticContact CG-CH2 3.88Å; Y242-W244 HydrophobicContact CG-CH2 3.88Å; Y242-W244 AromaticContact CG-CZ2 3.99Å; Y242-W244 HydrophobicContact CG-CZ2 3.99Å; W244-P254 HydrophobicContact CB-CB 4.38Å; W244-V255 CarbonylContact C-O 3.59Å; W244-V255 WeakPolarHBondContact CA-O 3.35Å; W244-T256 PolarHBondContact NE1-OG1 2.86Å |
| 245 | D | 94.6 | Very high | 85.1 | Confident | 11 Ų | 11 | 56.7 Ų | 56.7 | 6% | 0.059 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 127.9 | 170 | -151.2 | -53.7 | 0 | 0 | 0 | 110.8 | Q231 N247 V255 R257 | Q231-D245 HydrophobicContact CG-CB 4.38Å; Q231-D245 PolarHBondContact NE2-OD2 2.95Å; D245-N247 WeakPolarHBondContact OD1-CB 3.43Å; D245-N247 PolarHBondContact OD1-N 3.02Å; D245-N247 PolarHBondContact OD1-ND2 3.32Å; D245-V255 HydrophobicContact CB-CB 4.2Å; D245-V255 PolarHBondContact N-O 2.92Å; D245-V255 PolarHBondContact O-N 2.99Å; D245-V255 VanDerWaalsContact O-N 3.14Å; D245-R257 HydrophobicContact CB-CG 3.96Å; D245-R257 IonicContact OD2-CZ 3.46Å; D245-R257 IonicContact OD2-NH1 3.6Å; D245-R257 PolarHBondContact OD2-NH1 3.22Å |
| 246 | L | 91.1 | Very high | 84.9 | Confident | 15 Ų | 15 | 60.6 Ų | 60.6 | 8% | 0.079 | 32% | 0.317 | C | S | . | . | trans | -100.6 | 7 | -178.6 | -50.1 | -178.8 | 0 | 0 | 0 | 112.5 | V197 T211 W224 K230 I232 H248 L249 P254 | V197-L246 HydrophobicContact CG2-CD1 4.28Å; T211-L246 HydrophobicContact CG2-CD2 3.79Å; W224-L246 HydrophobicContact CZ3-CD1 3.81Å; K230-L246 WeakPolarHBondContact O-CA 3.45Å; K230-L246 VanDerWaalsContact O-CB 3.24Å; K230-L246 WeakPolarHBondContact O-CB 3.35Å; K230-L246 PolarHBondContact O-N 2.85Å; I232-L246 HydrophobicContact CD1-CD2 4.3Å; I232-L246 HydrophobicContact CG1-CD1 4.21Å; I232-L246 HydrophobicContact CG1-CD2 4.05Å; I232-L246 HydrophobicContact CG1-CG 4.28Å; I232-L246 HydrophobicContact CG2-CD1 3.95Å; L246-H248 PolarHBondContact O-N 3.37Å; L246-L249 VanDerWaalsContact O-CG 3.32Å; L246-L249 WeakPolarHBondContact O-CG 3.36Å; L246-P254 HydrophobicContact CD2-CB 4.27Å | ||
| 247 | N | 81.4 | Confident | 84.7 | Confident | 77 Ų | 77 | 64.2 Ų | 64.2 | 41% | 0.412 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -18.1 | -179.8 | -80.8 | -72.5 | 0 | 0 | 0 | 114.2 | K230 D245 | K230-N247 WeakPolarHBondContact CD-OD1 3.47Å; K230-N247 PolarHBondContact NZ-OD1 3.41Å; K230-N247 VanDerWaalsContact NZ-OD1 3.12Å; D245-N247 WeakPolarHBondContact OD1-CB 3.43Å; D245-N247 PolarHBondContact OD1-N 3.02Å; D245-N247 PolarHBondContact OD1-ND2 3.32Å |
| 248 | H | 67.5 | Low | 84.7 | Confident | 101 Ų | 101 | 59.9 Ų | 59.9 | 47% | 0.468 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | 48.1 | -173.5 | -60.9 | -69.1 | 0 | 0 | 0 | 111.6 | L246 D250 T251 V255 | L246-H248 PolarHBondContact O-N 3.37Å; H248-D250 PolarHBondContact O-N 3.12Å; H248-T251 PolarHBondContact O-N 2.88Å; H248-T251 VanDerWaalsContact O-O 3.11Å; H248-T251 PolarHBondContact O-OG1 3.4Å; H248-V255 HydrophobicContact CB-CG2 4.09Å |
| 249 | L | 58.7 | Low | 84.7 | Confident | 88 Ų | 88 | 60.4 Ų | 60.4 | 46% | 0.461 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -9.1 | 176.4 | -61.4 | 169.2 | 0 | 0 | 0 | 113.2 | V210 T211 L246 T251 | V210-L249 HydrophobicContact CG1-CD1 3.6Å; V210-L249 HydrophobicContact CG1-CD2 3.62Å; V210-L249 HydrophobicContact CG1-CG 4.24Å; T211-L249 HydrophobicContact CG2-CD2 4.49Å; L246-L249 VanDerWaalsContact O-CG 3.32Å; L246-L249 WeakPolarHBondContact O-CG 3.36Å; L249-T251 PolarHBondContact O-N 2.9Å |
| 250 | D | 54.8 | Low | 84.7 | Confident | 169 Ų | 169 | 59.6 Ų | 59.6 | 90% | 0.904 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -9.6 | 168.9 | -61.3 | -30 | 0 | 0 | 0 | 112.5 | H248 | H248-D250 PolarHBondContact O-N 3.12Š|
| 251 | T | 56.9 | Low | 84.6 | Confident | 77 Ų | 77 | 66.2 Ų | 66.2 | 47% | 0.472 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -105.3 | 136.5 | 166.2 | 55 | 0 | 0 | 0 | 0 | 108.2 | H248 L249 E253 | H248-T251 PolarHBondContact O-N 2.88Å; H248-T251 VanDerWaalsContact O-O 3.11Å; H248-T251 PolarHBondContact O-OG1 3.4Å; L249-T251 PolarHBondContact O-N 2.9Å; T251-E253 PolarHBondContact O-N 3.25Å; T251-E253 PolarHBondContact OG1-O 3.36Å |
| 252 | D | 59.4 | Low | 84.6 | Confident | 172 Ų | 172 | 67.7 Ų | 67.7 | 92% | 0.92 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -57.6 | -7.9 | -175 | -66.2 | -27.7 | 0 | 0 | 0 | 114.7 | ||
| 253 | E | 70.6 | Confident | 84.5 | Confident | 152 Ų | 152 | 67.5 Ų | 67.5 | 71% | 0.71 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -132.3 | 142.5 | -176.7 | -64.6 | -173.4 | 176.9 | 0 | 0 | 113.2 | T251 | T251-E253 PolarHBondContact O-N 3.25Å; T251-E253 PolarHBondContact OG1-O 3.36Å |
| 254 | P | 82.2 | Confident | 84.5 | Confident | 21 Ų | 21 | 71 Ų | 71 | 14% | 0.136 | 36% | 0.362 | C | S | . | . | trans | -69.6 | 143 | 175.8 | 29.5 | -31.8 | 0 | 0 | 0 | 110.8 | T211 C213 W244 L246 T256 | T211-P254 WeakPolarHBondContact OG1-CD 3.01Å; C213-P254 HydrophobicContact CB-CG 4.49Å; C213-P254 WeakPolarHBondContact SG-CG 3.45Å; W244-P254 HydrophobicContact CB-CB 4.38Å; L246-P254 HydrophobicContact CD2-CB 4.27Å; P254-T256 PolarHBondContact O-N 3Å | ||
| 255 | V | 90.1 | Very high | 84.3 | Confident | 62 Ų | 62 | 78.7 Ų | 78.7 | 38% | 0.376 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 112.4 | -177.8 | 178.2 | 0 | 0 | 0 | 0 | 109.7 | W244 D245 H248 R257 | W244-V255 CarbonylContact C-O 3.59Å; W244-V255 WeakPolarHBondContact CA-O 3.35Å; D245-V255 HydrophobicContact CB-CB 4.2Å; D245-V255 PolarHBondContact N-O 2.92Å; D245-V255 PolarHBondContact O-N 2.99Å; D245-V255 VanDerWaalsContact O-N 3.14Å; H248-V255 HydrophobicContact CB-CG2 4.09Å; V255-R257 PolarHBondContact O-N 2.81Å |
| 256 | T | 93.8 | Very high | 84.3 | Confident | 82 Ų | 82 | 81.1 Ų | 81.1 | 50% | 0.503 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 118.4 | 174.1 | -60.6 | 0 | 0 | 0 | 0 | 110.1 | W244 P254 N259 | W244-T256 PolarHBondContact NE1-OG1 2.86Å; P254-T256 PolarHBondContact O-N 3Å; T256-N259 HydrophobicContact CG2-CB 4.28Å |
| 257 | R | 95.2 | Very high | 84.4 | Confident | 79 Ų | 79 | 80.7 Ų | 80.7 | 30% | 0.298 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | -36.6 | 178.5 | -59.6 | -170.1 | 67.8 | 81.3 | 12.6 | 112.6 | W243 D245 V255 | W243-R257 HydrophobicContact CD2-CB 3.8Å; W243-R257 HydrophobicContact CD2-CG 4.41Å; W243-R257 HydrophobicContact CE3-CB 3.62Å; W243-R257 HydrophobicContact CG-CB 4.19Å; W243-R257 HydrophobicContact CZ3-CB 4.16Å; W243-R257 WeakPolarHBondContact O-CA 3.34Å; W243-R257 WeakPolarHBondContact O-CB 3.39Å; W243-R257 PolarHBondContact O-N 3.14Å; D245-R257 HydrophobicContact CB-CG 3.96Å; D245-R257 IonicContact OD2-CZ 3.46Å; D245-R257 IonicContact OD2-NH1 3.6Å; D245-R257 PolarHBondContact OD2-NH1 3.22Å; V255-R257 PolarHBondContact O-N 2.81Å |
| 258 | L | 97.2 | Very high | 84.7 | Confident | 17 Ų | 17 | 83.3 Ų | 83.3 | 9% | 0.089 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 141.2 | 177.6 | -176.6 | 64.9 | 0 | 0 | 0 | 109.8 | F241 Y242 W243 I260 L310 | F241-L258 HydrophobicContact CD1-CD2 3.97Å; F241-L258 HydrophobicContact CE1-CD2 3.96Å; Y242-L258 WeakPolarHBondContact CA-O 3.23Å; W243-L258 HydrophobicContact CB-CB 4.26Å; W243-L258 HydrophobicContact CE3-CB 4.12Å; W243-L258 PolarHBondContact N-O 3.01Å; W243-L258 PolarHBondContact O-N 2.78Å; L258-I260 HydrophobicContact CD1-CD1 4.34Å; L258-I260 HydrophobicContact CD1-CG1 4.1Å; L258-I260 HydrophobicContact CD2-CD1 3.99Å; L258-I260 HydrophobicContact CD2-CG1 4.34Å; L258-I260 HydrophobicContact CG-CD1 4.3Å; L258-I260 HydrophobicContact CG-CG1 4.11Å; L258-L310 HydrophobicContact CD2-CD2 4.29Å; L258-L310 HydrophobicContact CD2-CG 4.42Å |
| 259 | N | 96.8 | Very high | 85.7 | Confident | 77 Ų | 77 | 79.6 Ų | 79.6 | 41% | 0.412 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 124.4 | 170.4 | 173.2 | -10.9 | 0 | 0 | 0 | 107.8 | F241 Y242 T256 | F241-N259 WeakPolarHBondContact O-CA 3.21Å; Y242-N259 HydrophobicContact CD1-CB 4.16Å; Y242-N259 HydrophobicContact CE1-CB 4.41Å; Y242-N259 WeakPolarHBondContact CE1-ND2 3.25Å; Y242-N259 VanDerWaalsContact CE1-OD1 3.24Å; Y242-N259 WeakPolarHBondContact CE1-OD1 3.49Å; T256-N259 HydrophobicContact CG2-CB 4.28Å |
| 260 | I | 97.9 | Very high | 86.5 | Confident | 21 Ų | 21 | 84.5 Ų | 84.5 | 11% | 0.108 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 118.7 | 173.7 | -57.3 | 177.1 | 0 | 0 | 0 | 107.1 | G240 F241 L258 V263 A266 L310 | G240-I260 CarbonylContact C-O 3.48Å; G240-I260 WeakPolarHBondContact CA-O 3.43Å; F241-I260 PolarHBondContact N-O 2.88Å; F241-I260 PolarHBondContact O-N 3.25Å; L258-I260 HydrophobicContact CD1-CD1 4.34Å; L258-I260 HydrophobicContact CD1-CG1 4.1Å; L258-I260 HydrophobicContact CD2-CD1 3.99Å; L258-I260 HydrophobicContact CD2-CG1 4.34Å; L258-I260 HydrophobicContact CG-CD1 4.3Å; L258-I260 HydrophobicContact CG-CG1 4.11Å; I260-V263 HydrophobicContact CB-CG2 4.14Å; I260-V263 HydrophobicContact CG2-CB 4.5Å; I260-V263 HydrophobicContact CG2-CG2 3.88Å; I260-A266 HydrophobicContact CG2-CB 3.47Å; I260-A266 VanDerWaalsContact CG2-CB 3.47Å; I260-L310 HydrophobicContact CD1-CB 4.29Å; I260-L310 HydrophobicContact CD1-CD1 4.13Å; I260-L310 HydrophobicContact CD1-CG 3.78Å |
| 261 | Q | 96.9 | Very high | 87.5 | Confident | 140 Ų | 140 | 85.4 Ų | 85.4 | 65% | 0.654 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -69 | -40.6 | -177.6 | -70 | -176.7 | -7.9 | 0 | 0 | 112.9 | G240 | G240-Q261 WeakPolarHBondContact CA-O 3.25Å; G240-Q261 PolarHBondContact N-O 3.03Å |
| 262 | D | 97.3 | Very high | 88.8 | Confident | 31 Ų | 31 | 84 Ų | 84 | 17% | 0.166 | 42% | 0.421 | C | S | . | . | trans | -138.8 | 110.3 | 173.4 | -170.4 | -28.3 | 0 | 0 | 0 | 109.2 | R264 E265 A266 | D262-R264 PolarHBondContact O-N 3.07Å; D262-R264 WeakPolarHBondContact OD1-CA 3.44Å; D262-R264 WeakPolarHBondContact OD1-CB 3.48Å; D262-R264 VanDerWaalsContact OD1-CG 3.32Å; D262-R264 WeakPolarHBondContact OD1-CG 3.25Å; D262-R264 IonicContact OD1-CZ 3.77Å; D262-R264 PolarHBondContact OD1-N 3.37Å; D262-R264 IonicContact OD1-NE 3.35Å; D262-R264 PolarHBondContact OD1-NE 2.9Å; D262-R264 IonicContact OD1-NH2 3.09Å; D262-R264 IonicContact OD2-CZ 2.94Å; D262-R264 IonicContact OD2-NE 3.17Å; D262-R264 PolarHBondContact OD2-NE 3.14Å; D262-R264 IonicContact OD2-NH2 3.4Å; D262-R264 PolarHBondContact OD2-NH2 2.83Å; D262-E265 HydrophobicContact CB-CG 4.31Å; D262-E265 PolarHBondContact O-N 2.88Å; D262-A266 PolarHBondContact O-N 3.23Å | ||
| 263 | V | 97.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 78.5 Ų | 78.5 | 0% | 0 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -67.6 | -26.6 | -178.4 | 177 | 0 | 0 | 0 | 0 | 112 | E239 F241 I260 E265 A266 V267 L274 L277 M303 L310 | E239-V263 WeakPolarHBondContact O-CB 3.45Å; E239-V263 WeakPolarHBondContact O-CG2 3.45Å; E239-V263 PolarHBondContact O-N 3.28Å; F241-V263 HydrophobicContact CB-CG2 3.56Å; I260-V263 HydrophobicContact CB-CG2 4.14Å; I260-V263 HydrophobicContact CG2-CB 4.5Å; I260-V263 HydrophobicContact CG2-CG2 3.88Å; V263-E265 VanDerWaalsContact C-N 3.28Å; V263-E265 PolarHBondContact O-N 2.6Å; V263-A266 PolarHBondContact O-N 3.16Å; V263-V267 HydrophobicContact CG1-CG2 3.57Å; V263-V267 WeakPolarHBondContact O-CG2 3.48Å; V263-V267 PolarHBondContact O-N 3.38Å; V263-L274 HydrophobicContact CB-CD2 4.49Å; V263-L274 HydrophobicContact CG1-CD2 3.73Å; V263-L277 HydrophobicContact CB-CD1 4.23Å; V263-L277 HydrophobicContact CB-CD2 4.26Å; V263-L277 HydrophobicContact CG1-CD2 4.02Å; V263-L277 HydrophobicContact CG2-CD1 3.94Å; V263-M303 HydrophobicContact CG1-SD 4.4Å; V263-L310 HydrophobicContact CB-CD1 4.43Å; V263-L310 HydrophobicContact CG1-CD1 3.6Å; V263-L310 HydrophobicContact CG2-CD1 3.83Å |
| 264 | R | 96.5 | Very high | 91.7 | Very high | 92 Ų | 92 | 71.9 Ų | 71.9 | 35% | 0.347 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.5 | -33 | -179.6 | -52 | 172.5 | -69.4 | -144.4 | -9.9 | 111.7 | E239 D262 L274 D275 | E239-R264 HydrophobicContact CB-CG 4.25Å; E239-R264 VanDerWaalsContact CD-NH1 3.29Å; E239-R264 HydrophobicContact CG-CG 4.47Å; E239-R264 IonicContact OE1-NH1 3.9Å; E239-R264 IonicContact OE2-CZ 3.79Å; E239-R264 IonicContact OE2-NH1 3.79Å; E239-R264 PolarHBondContact OE2-NH1 2.96Å; E239-R264 IonicContact OE2-NH2 2.83Å; E239-R264 PolarHBondContact OE2-NH2 2.96Å; D262-R264 PolarHBondContact O-N 3.07Å; D262-R264 WeakPolarHBondContact OD1-CA 3.44Å; D262-R264 WeakPolarHBondContact OD1-CB 3.48Å; D262-R264 VanDerWaalsContact OD1-CG 3.32Å; D262-R264 WeakPolarHBondContact OD1-CG 3.25Å; D262-R264 IonicContact OD1-CZ 3.77Å; D262-R264 PolarHBondContact OD1-N 3.37Å; D262-R264 IonicContact OD1-NE 3.35Å; D262-R264 PolarHBondContact OD1-NE 2.9Å; D262-R264 IonicContact OD1-NH2 3.09Å; D262-R264 IonicContact OD2-CZ 2.94Å; D262-R264 IonicContact OD2-NE 3.17Å; D262-R264 PolarHBondContact OD2-NE 3.14Å; D262-R264 IonicContact OD2-NH2 3.4Å; D262-R264 PolarHBondContact OD2-NH2 2.83Å; R264-L274 HydrophobicContact CG-CG 4.37Å; R264-L274 VanDerWaalsContact CG-O 3.31Å; R264-L274 WeakPolarHBondContact CG-O 3.31Å; R264-D275 WeakPolarHBondContact CD-O 3.34Å |
| 265 | E | 94.8 | Very high | 92.4 | Very high | 169 Ų | 169 | 72.9 Ų | 72.9 | 79% | 0.79 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -84.7 | -31.8 | 176.4 | -59.7 | -167.9 | 166 | 0 | 0 | 112.4 | D262 V263 | D262-E265 HydrophobicContact CB-CG 4.31Å; D262-E265 PolarHBondContact O-N 2.88Å; V263-E265 VanDerWaalsContact C-N 3.28Å; V263-E265 PolarHBondContact O-N 2.6Å |
| 266 | A | 93.5 | Very high | 92.7 | Very high | 61 Ų | 61 | 70.9 Ų | 70.9 | 50% | 0.504 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -80.4 | -33 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | I260 D262 V263 | I260-A266 HydrophobicContact CG2-CB 3.47Å; I260-A266 VanDerWaalsContact CG2-CB 3.47Å; D262-A266 PolarHBondContact O-N 3.23Å; V263-A266 PolarHBondContact O-N 3.16Å |
| 267 | V | 92.8 | Very high | 92.9 | Very high | 7 Ų | 7 | 68.2 Ų | 68.2 | 4% | 0.042 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -89.2 | 120.3 | -176.6 | 179.5 | 0 | 0 | 0 | 0 | 110.4 | V263 M269 M303 L310 H312 | V263-V267 HydrophobicContact CG1-CG2 3.57Å; V263-V267 WeakPolarHBondContact O-CG2 3.48Å; V263-V267 PolarHBondContact O-N 3.38Å; V267-M269 HydrophobicContact CG1-SD 3.89Å; V267-M269 PolarHBondContact O-N 3Å; V267-M269 VanDerWaalsContact O-N 3.08Å; V267-M303 HydrophobicContact CG1-SD 4.26Å; V267-M303 HydrophobicContact CG2-SD 4.18Å; V267-L310 HydrophobicContact CG2-CB 3.69Å; V267-H312 HydrophobicContact CG1-CB 4.14Å |
| 268 | N | 88.3 | Confident | 93.1 | Very high | 131 Ų | 131 | 65.7 Ų | 65.7 | 70% | 0.701 | 33% | 0.33 | S | S | * | . | trans | -75.7 | 98.8 | 176.3 | -174 | 2.3 | 0 | 0 | 0 | 111.5 | K270 | N268-K270 PolarHBondContact O-N 2.94Š| ||
| 269 | M | 87.8 | Confident | 93.1 | Very high | 24 Ų | 24 | 65 Ų | 65 | 12% | 0.118 | 33% | 0.327 | C | S | . | . | trans | -85.5 | 103.3 | 172.7 | -58.5 | -62 | -73.8 | 0 | 0 | 109.6 | V267 E271 D272 L274 H301 H312 | V267-M269 HydrophobicContact CG1-SD 3.89Å; V267-M269 PolarHBondContact O-N 3Å; V267-M269 VanDerWaalsContact O-N 3.08Å; M269-E271 PolarHBondContact O-N 3.22Å; M269-D272 HydrophobicContact CB-CB 4.26Å; M269-D272 WeakPolarHBondContact CB-O 3.45Å; M269-D272 HydrophobicContact CE-CB 3.88Å; M269-L274 HydrophobicContact CG-CB 4.14Å; M269-L274 HydrophobicContact SD-CB 4.43Å; M269-H301 VanDerWaalsContact CE-CE1 3.48Å; M269-H301 WeakPolarHBondContact CE-CE1 3.21Å; M269-H312 HydrophobicContact SD-CB 4.01Å | ||
| 270 | K | 75.9 | Confident | 93 | Very high | 191 Ų | 191 | 62 Ų | 62 | 83% | 0.83 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -62.4 | -36.3 | -172.9 | -71.2 | -176.2 | 179.7 | 175.8 | 0 | 114.7 | N268 | N268-K270 PolarHBondContact O-N 2.94Š|
| 271 | E | 76.1 | Confident | 92.9 | Very high | 188 Ų | 188 | 61.9 Ų | 61.9 | 88% | 0.879 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -135.5 | 22.2 | -172.9 | -62.5 | -173.1 | 173.9 | 0 | 0 | 112.2 | M269 | M269-E271 PolarHBondContact O-N 3.22Š|
| 272 | D | 84.6 | Confident | 92.8 | Very high | 47 Ų | 47 | 56.6 Ų | 56.6 | 25% | 0.251 | 29% | 0.288 | S | S | . | . | trans | -154.6 | 174.8 | -168.1 | -139 | -22.9 | 0 | 0 | 0 | 113.8 | M269 R299 H301 | M269-D272 HydrophobicContact CB-CB 4.26Å; M269-D272 WeakPolarHBondContact CB-O 3.45Å; M269-D272 HydrophobicContact CE-CB 3.88Å; D272-R299 IonicContact OD1-CZ 3.54Å; D272-R299 IonicContact OD1-NH1 2.76Å; D272-R299 PolarHBondContact OD1-NH1 2.87Å; D272-R299 WeakPolarHBondContact OD2-CD 3.35Å; D272-R299 IonicContact OD2-CZ 3.23Å; D272-R299 IonicContact OD2-NE 2.88Å; D272-R299 PolarHBondContact OD2-NE 2.83Å; D272-R299 IonicContact OD2-NH1 2.73Å; D272-R299 PolarHBondContact OD2-NH1 2.77Å; D272-H301 IonicContact OD2-CE1 3Å; D272-H301 PolarHBondContact OD2-CE1 2.96Å; D272-H301 IonicContact OD2-NE2 2.76Å | ||
| 273 | S | 92.8 | Very high | 92.5 | Very high | 57 Ų | 57 | 55.6 Ų | 55.6 | 40% | 0.399 | 28% | 0.282 | S | S | . | . | trans | -110 | 159.4 | 163.3 | 68.5 | 0 | 0 | 0 | 0 | 111.1 | D275 T295 H301 | S273-D275 PolarHBondContact OG-OD1 3.31Å; S273-T295 VanDerWaalsContact O-CG2 3.29Å; S273-T295 WeakPolarHBondContact O-CG2 3.24Å; S273-H301 PolarHBondContact O-NE2 3.13Å; S273-H301 VanDerWaalsContact O-NE2 3.16Å | ||
| 274 | L | 96.9 | Very high | 92.2 | Very high | 12 Ų | 12 | 61.7 Ų | 61.7 | 6% | 0.063 | 31% | 0.311 | C | S | . | . | trans | -116.2 | 118.6 | 163.6 | 176 | 66 | 0 | 0 | 0 | 106.3 | V263 R264 M269 Y276 L277 M303 | V263-L274 HydrophobicContact CB-CD2 4.49Å; V263-L274 HydrophobicContact CG1-CD2 3.73Å; R264-L274 HydrophobicContact CG-CG 4.37Å; R264-L274 VanDerWaalsContact CG-O 3.31Å; R264-L274 WeakPolarHBondContact CG-O 3.31Å; M269-L274 HydrophobicContact CG-CB 4.14Å; M269-L274 HydrophobicContact SD-CB 4.43Å; L274-Y276 WeakPolarHBondContact CD1-O 3.15Å; L274-L277 HydrophobicContact CD2-CD2 4.34Å; L274-M303 HydrophobicContact CD1-CE 4.31Å; L274-M303 HydrophobicContact CD2-CE 4.36Å; L274-M303 HydrophobicContact CD2-SD 3.99Å | ||
| 275 | D | 97.2 | Very high | 91.8 | Very high | 43 Ų | 43 | 64.1 Ų | 64.1 | 23% | 0.23 | 32% | 0.324 | C | S | . | . | trans | -99.1 | -33.4 | -175 | -62.3 | -8.2 | 0 | 0 | 0 | 111.6 | R264 S273 G294 T295 N296 | R264-D275 WeakPolarHBondContact CD-O 3.34Å; S273-D275 PolarHBondContact OG-OD1 3.31Å; D275-G294 PolarHBondContact N-O 3.17Å; D275-T295 WeakPolarHBondContact OD2-CA 3.49Å; D275-N296 PolarHBondContact OD2-N 3.41Å; D275-N296 PolarHBondContact OD2-ND2 3.27Å | ||
| 276 | Y | 97.8 | Very high | 91.5 | Very high | 20 Ų | 20 | 58.6 Ų | 58.6 | 8% | 0.078 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 163 | -177.6 | 56.3 | -92.9 | 0 | 0 | 0 | 112.8 | L274 I278 G293 G294 T295 T323 V324 | L274-Y276 WeakPolarHBondContact CD1-O 3.15Å; Y276-I278 HydrophobicContact CD2-CG1 3.87Å; Y276-I278 HydrophobicContact CE2-CD1 3.89Å; Y276-I278 HydrophobicContact CE2-CG1 3.6Å; Y276-G293 CarbonylContact O-C 3.48Å; Y276-G293 WeakPolarHBondContact O-CA 3.43Å; Y276-G294 PolarHBondContact N-O 3.01Å; Y276-G294 PolarHBondContact O-N 2.76Å; Y276-T295 WeakPolarHBondContact CE1-O 3.37Å; Y276-T295 PolarHBondContact OH-O 3.03Å; Y276-T323 HydrophobicContact CD1-CG2 4.43Å; Y276-T323 HydrophobicContact CE1-CG2 3.78Å; Y276-T323 HydrophobicContact CE2-CG2 4.03Å; Y276-T323 WeakPolarHBondContact OH-CA 3.39Å; Y276-V324 WeakPolarHBondContact CE2-O 3.2Å; Y276-V324 PolarHBondContact OH-N 2.99Å |
| 277 | L | 98.3 | Very high | 91.5 | Very high | 25 Ų | 25 | 59.7 Ų | 59.7 | 13% | 0.131 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 148.1 | 167.7 | -58.2 | -178.9 | 0 | 0 | 0 | 110.8 | M235 F241 V263 L274 V291 M303 | M235-L277 HydrophobicContact CB-CD1 4.31Å; M235-L277 HydrophobicContact CG-CB 4.46Å; M235-L277 HydrophobicContact CG-CD1 3.92Å; M235-L277 HydrophobicContact SD-CB 3.73Å; M235-L277 HydrophobicContact SD-CD1 4.12Å; F241-L277 HydrophobicContact CB-CD1 4.43Å; V263-L277 HydrophobicContact CB-CD1 4.23Å; V263-L277 HydrophobicContact CB-CD2 4.26Å; V263-L277 HydrophobicContact CG1-CD2 4.02Å; V263-L277 HydrophobicContact CG2-CD1 3.94Å; L274-L277 HydrophobicContact CD2-CD2 4.34Å; L277-V291 HydrophobicContact CD2-CG1 3.83Å; L277-M303 HydrophobicContact CD2-CE 4.11Å |
| 278 | I | 97.4 | Very high | 91.5 | Very high | 26 Ų | 26 | 61.3 Ų | 61.3 | 13% | 0.133 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | -44.6 | 179.6 | -50.4 | -179.7 | 0 | 0 | 0 | 110.9 | Y276 I292 V324 F327 | Y276-I278 HydrophobicContact CD2-CG1 3.87Å; Y276-I278 HydrophobicContact CE2-CD1 3.89Å; Y276-I278 HydrophobicContact CE2-CG1 3.6Å; I278-I292 HydrophobicContact CB-CG2 4.39Å; I278-I292 HydrophobicContact CD1-CG2 4.04Å; I278-I292 HydrophobicContact CG1-CG2 4.49Å; I278-I292 PolarHBondContact N-O 3.23Å; I278-V324 HydrophobicContact CD1-CB 3.9Å; I278-V324 HydrophobicContact CD1-CG1 4.01Å; I278-F327 HydrophobicContact CB-CD1 4.31Å; I278-F327 HydrophobicContact CB-CE1 4.39Å; I278-F327 HydrophobicContact CG2-CD1 3.71Å; I278-F327 HydrophobicContact CG2-CE1 4.12Å |
| 279 | G | 97.1 | Very high | 91.9 | Very high | 4 Ų | 4 | 55.3 Ų | 55.3 | 4% | 0.041 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 168.1 | 169.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | I292 | G279-I292 PolarHBondContact N-O 2.86Å; G279-I292 PolarHBondContact O-N 2.98Å |
| 280 | G | 96.4 | Very high | 92.3 | Very high | 13 Ų | 13 | 54.3 Ų | 54.3 | 13% | 0.134 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 156.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y233 H290 | Y233-G280 VanDerWaalsContact CZ-CA 3.5Å; Y233-G280 VanDerWaalsContact OH-CA 3.23Å; Y233-G280 WeakPolarHBondContact OH-CA 3.46Å; Y233-G280 PolarHBondContact OH-N 3.06Å; Y233-G280 PolarHBondContact OH-O 3.49Å; G280-H290 CarbonylContact C-O 3.43Å; G280-H290 VanDerWaalsContact CA-O 3.32Å; G280-H290 WeakPolarHBondContact CA-O 3.18Å |
| 281 | L | 95 | Very high | 93.4 | Very high | 19 Ų | 19 | 45.2 Ų | 45.2 | 10% | 0.099 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 103.7 | 177.3 | 176.9 | 66.4 | 0 | 0 | 0 | 109.1 | I4 H290 F327 W329 | I4-L281 HydrophobicContact CD1-CD2 3.8Å; L281-H290 HydrophobicContact CB-CB 4.33Å; L281-H290 PolarHBondContact N-O 3.26Å; L281-H290 PolarHBondContact O-N 2.85Å; L281-F327 HydrophobicContact CB-CE2 4.41Å; L281-W329 HydrophobicContact CD1-CB 3.52Å; L281-W329 HydrophobicContact CD1-CG 3.82Å; L281-W329 HydrophobicContact CD2-CB 4.1Å; L281-W329 HydrophobicContact CD2-CD2 4.26Å; L281-W329 HydrophobicContact CD2-CG 3.91Å; L281-W329 HydrophobicContact CG-CB 4.48Å |
| 282 | Y | 95.3 | Very high | 94.4 | Very high | 29 Ų | 29 | 36.3 Ų | 36.3 | 11% | 0.114 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 125.4 | 172.5 | 176.8 | -117.5 | 0 | 0 | 0 | 110.5 | G226 K227 Y229 E284 D287 | G226-Y282 VanDerWaalsContact N-CZ 3.32Å; G226-Y282 WeakPolarHBondContact O-CE1 3.19Å; G226-Y282 PolarHBondContact O-OH 3.43Å; G226-Y282 VanDerWaalsContact O-OH 3.13Å; K227-Y282 WeakPolarHBondContact CA-OH 3.44Å; K227-Y282 PolarHBondContact N-OH 2.84Å; K227-Y282 VanDerWaalsContact N-OH 3.13Å; Y229-Y282 HydrophobicContact CD1-CD1 4.1Å; Y229-Y282 HydrophobicContact CD1-CE1 4.32Å; Y229-Y282 AromaticContact CE1-CD1 3.57Å; Y229-Y282 HydrophobicContact CE1-CD1 3.57Å; Y229-Y282 AromaticContact CE1-CE1 3.99Å; Y229-Y282 HydrophobicContact CE1-CE1 3.99Å; Y282-E284 HydrophobicContact CD1-CG 4.11Å; Y282-E284 HydrophobicContact CE1-CB 4.37Å; Y282-E284 HydrophobicContact CE1-CG 3.7Å; Y282-D287 WeakPolarHBondContact CE2-OD1 3.46Å; Y282-D287 PolarHBondContact OH-OD1 2.71Å |
| 283 | H | 91.6 | Very high | 95 | Very high | 9 Ų | 9 | 34 Ų | 34 | 4% | 0.042 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 102.6 | 178.7 | -172.2 | -94.2 | 0 | 0 | 0 | 110.7 | I4 K285 T286 D287 T288 | I4-H283 HydrophobicContact CD1-CB 4.09Å; H283-K285 VanDerWaalsContact C-N 3.35Å; H283-K285 PolarHBondContact O-N 2.88Å; H283-T286 PolarHBondContact ND1-N 2.82Å; H283-T286 PolarHBondContact ND1-OG1 3.14Å; H283-T286 PolarHBondContact O-N 3.23Å; H283-T286 PolarHBondContact O-OG1 2.62Å; H283-D287 PolarHBondContact O-N 3.48Å; H283-T288 PolarHBondContact N-O 3.4Å; H283-T288 PolarHBondContact O-N 3.15Å |
| 284 | E | 90.3 | Very high | 95.2 | Very high | 128 Ų | 128 | 31.3 Ų | 31.3 | 60% | 0.598 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -38.7 | -172.5 | -70.3 | 178 | -118.9 | 0 | 0 | 114.3 | Y229 Y282 T286 D287 | Y229-E284 VanDerWaalsContact OH-CD 3.28Å; Y229-E284 PolarHBondContact OH-OE1 2.98Å; Y282-E284 HydrophobicContact CD1-CG 4.11Å; Y282-E284 HydrophobicContact CE1-CB 4.37Å; Y282-E284 HydrophobicContact CE1-CG 3.7Å; E284-T286 VanDerWaalsContact C-N 3.3Å; E284-T286 PolarHBondContact O-N 3.22Å; E284-D287 PolarHBondContact O-N 3.41Å |
| 285 | K | 87.9 | Confident | 95.2 | Very high | 143 Ų | 143 | 30.8 Ų | 30.8 | 62% | 0.622 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -31.6 | -175.1 | -63.1 | 175.2 | -178.5 | 165.5 | 0 | 112.7 | M1 H283 | M1-K285 HydrophobicContact SD-CB 4.3Å; H283-K285 VanDerWaalsContact C-N 3.35Å; H283-K285 PolarHBondContact O-N 2.88Å |
| 286 | T | 88.8 | Confident | 95.2 | Very high | 54 Ų | 54 | 33.2 Ų | 33.2 | 33% | 0.331 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104 | -7.7 | -179 | 53.4 | 0 | 0 | 0 | 0 | 112.5 | H283 E284 T288 | H283-T286 PolarHBondContact ND1-N 2.82Å; H283-T286 PolarHBondContact ND1-OG1 3.14Å; H283-T286 PolarHBondContact O-N 3.23Å; H283-T286 PolarHBondContact O-OG1 2.62Å; E284-T286 VanDerWaalsContact C-N 3.3Å; E284-T286 PolarHBondContact O-N 3.22Å; T286-T288 VanDerWaalsContact C-N 3.29Å; T286-T288 PolarHBondContact O-N 3.24Å; T286-T288 PolarHBondContact OG1-OG1 2.8Å |
| 287 | D | 92.8 | Very high | 95 | Very high | 83 Ų | 83 | 37 Ų | 37 | 44% | 0.444 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 44.7 | -175.4 | -162.3 | 25.3 | 0 | 0 | 0 | 112.8 | K227 Y282 H283 E284 | K227-D287 PolarHBondContact N-OD1 3.32Å; Y282-D287 WeakPolarHBondContact CE2-OD1 3.46Å; Y282-D287 PolarHBondContact OH-OD1 2.71Å; H283-D287 PolarHBondContact O-N 3.48Å; E284-D287 PolarHBondContact O-N 3.41Å |
| 288 | T | 93.6 | Very high | 94.9 | Very high | 41 Ų | 41 | 36 Ų | 36 | 25% | 0.252 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 135.5 | -176.9 | 51.5 | 0 | 0 | 0 | 0 | 110.9 | H283 T286 H290 | H283-T288 PolarHBondContact N-O 3.4Å; H283-T288 PolarHBondContact O-N 3.15Å; T286-T288 VanDerWaalsContact C-N 3.29Å; T286-T288 PolarHBondContact O-N 3.24Å; T286-T288 PolarHBondContact OG1-OG1 2.8Å; T288-H290 PolarHBondContact OG1-CE1 3.39Å |
| 289 | L | 96.6 | Very high | 94.8 | Very high | 5 Ų | 5 | 37.9 Ų | 37.9 | 3% | 0.026 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 133.4 | 171.4 | 179.5 | 60.1 | 0 | 0 | 0 | 109.7 | Y233 F241 W243 C305 | Y233-L289 HydrophobicContact CD1-CD1 3.84Å; Y233-L289 HydrophobicContact CD1-CD2 3.83Å; Y233-L289 HydrophobicContact CE1-CD1 3.74Å; Y233-L289 HydrophobicContact CG-CD2 4.16Å; F241-L289 HydrophobicContact CZ-CD2 3.96Å; W243-L289 HydrophobicContact CD2-CD2 4.37Å; W243-L289 HydrophobicContact CG-CD2 4.35Å; L289-C305 HydrophobicContact CB-CB 4.13Å; L289-C305 HydrophobicContact CD2-CB 4.37Å; L289-C305 HydrophobicContact CG-CB 4.08Å; L289-C305 WeakPolarHBondContact O-CA 3.28Å; L289-C305 WeakPolarHBondContact O-CB 3.48Å; L289-C305 PolarHBondContact O-N 3.02Å |
| 290 | H | 96.6 | Very high | 94.8 | Very high | 3 Ų | 3 | 37.9 Ų | 37.9 | 1% | 0.014 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 153.3 | 170.8 | -61.2 | 74.9 | 0 | 0 | 0 | 109.6 | I4 G280 L281 T288 L302 M303 | I4-H290 WeakPolarHBondContact CG2-CE1 3.12Å; I4-H290 VanDerWaalsContact CG2-NE2 3.29Å; I4-H290 WeakPolarHBondContact CG2-NE2 2.84Å; G280-H290 CarbonylContact C-O 3.43Å; G280-H290 VanDerWaalsContact CA-O 3.32Å; G280-H290 WeakPolarHBondContact CA-O 3.18Å; L281-H290 HydrophobicContact CB-CB 4.33Å; L281-H290 PolarHBondContact N-O 3.26Å; L281-H290 PolarHBondContact O-N 2.85Å; T288-H290 PolarHBondContact OG1-CE1 3.39Å; H290-L302 HydrophobicContact CB-CD1 3.68Å; H290-M303 CarbonylContact C-O 3.59Å; H290-M303 VanDerWaalsContact CA-O 3.22Å; H290-M303 WeakPolarHBondContact CA-O 3.22Å; H290-M303 WeakPolarHBondContact CB-O 3.21Å |
| 291 | V | 97.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 131 | 175.5 | 174.7 | 0 | 0 | 0 | 0 | 107.7 | M235 F241 L277 M303 C305 L310 | M235-V291 HydrophobicContact CE-CB 4.43Å; M235-V291 HydrophobicContact CE-CG1 3.66Å; M235-V291 HydrophobicContact CE-CG2 4.26Å; F241-V291 HydrophobicContact CD2-CG2 3.92Å; F241-V291 HydrophobicContact CE1-CG2 4.45Å; F241-V291 HydrophobicContact CE2-CG2 3.44Å; F241-V291 VanDerWaalsContact CE2-CG2 3.44Å; F241-V291 HydrophobicContact CZ-CG2 3.74Å; L277-V291 HydrophobicContact CD2-CG1 3.83Å; V291-M303 HydrophobicContact CB-CB 4.41Å; V291-M303 HydrophobicContact CB-CE 4.36Å; V291-M303 HydrophobicContact CG1-CE 3.89Å; V291-M303 PolarHBondContact N-O 2.82Å; V291-M303 WeakPolarHBondContact O-CE 3.1Å; V291-M303 PolarHBondContact O-N 2.79Å; V291-C305 HydrophobicContact CG2-CB 4.38Å; V291-L310 HydrophobicContact CB-CD1 4.3Å; V291-L310 HydrophobicContact CB-CD2 4.38Å; V291-L310 HydrophobicContact CG1-CD1 4.3Å; V291-L310 HydrophobicContact CG2-CD1 4.17Å; V291-L310 HydrophobicContact CG2-CD2 3.82Å |
| 292 | I | 97.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 129 | 175.1 | -55 | -158.1 | 0 | 0 | 0 | 108.7 | F8 I278 G279 I300 H301 L302 F327 | F8-I292 HydrophobicContact CE2-CD1 4.15Å; F8-I292 HydrophobicContact CZ-CD1 4.15Å; I278-I292 HydrophobicContact CB-CG2 4.39Å; I278-I292 HydrophobicContact CD1-CG2 4.04Å; I278-I292 HydrophobicContact CG1-CG2 4.49Å; I278-I292 PolarHBondContact N-O 3.23Å; G279-I292 PolarHBondContact N-O 2.86Å; G279-I292 PolarHBondContact O-N 2.98Å; I292-I300 HydrophobicContact CG2-CG2 3.54Å; I292-H301 VanDerWaalsContact CA-O 3.32Å; I292-H301 WeakPolarHBondContact CA-O 3.42Å; I292-L302 HydrophobicContact CD1-CD1 4.47Å; I292-L302 HydrophobicContact CG1-CD1 4.21Å; I292-F327 HydrophobicContact CB-CD1 4.39Å; I292-F327 HydrophobicContact CB-CE1 3.91Å; I292-F327 HydrophobicContact CB-CZ 4.18Å; I292-F327 HydrophobicContact CD1-CD1 4.25Å; I292-F327 HydrophobicContact CD1-CD2 3.76Å; I292-F327 HydrophobicContact CD1-CE1 4.05Å; I292-F327 HydrophobicContact CD1-CE2 3.54Å; I292-F327 HydrophobicContact CD1-CG 4.12Å; I292-F327 HydrophobicContact CD1-CZ 3.69Å; I292-F327 HydrophobicContact CG1-CE1 4.16Å; I292-F327 HydrophobicContact CG1-CE2 4.25Å; I292-F327 HydrophobicContact CG1-CZ 3.9Å; I292-F327 HydrophobicContact CG2-CD1 4.41Å; I292-F327 HydrophobicContact CG2-CE1 4.42Å |
| 293 | G | 97.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | -173.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y276 H301 | Y276-G293 CarbonylContact O-C 3.48Å; Y276-G293 WeakPolarHBondContact O-CA 3.43Å; G293-H301 PolarHBondContact N-O 2.73Å; G293-H301 PolarHBondContact O-N 3.36Å |
| 294 | G | 96.8 | Very high | 95 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.1 | -176.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | D275 Y276 R299 | D275-G294 PolarHBondContact N-O 3.17Å; Y276-G294 PolarHBondContact N-O 3.01Å; Y276-G294 PolarHBondContact O-N 2.76Å; G294-R299 CarbonylContact C-O 3.59Å; G294-R299 WeakPolarHBondContact CA-O 3.04Å |
| 295 | T | 97.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.006 | 16% | 0.16 | C | C | . | . | trans | -111.6 | 159.5 | 173.4 | 67.2 | 0 | 0 | 0 | 0 | 110.6 | S273 D275 Y276 T297 G298 R299 | S273-T295 VanDerWaalsContact O-CG2 3.29Å; S273-T295 WeakPolarHBondContact O-CG2 3.24Å; D275-T295 WeakPolarHBondContact OD2-CA 3.49Å; Y276-T295 WeakPolarHBondContact CE1-O 3.37Å; Y276-T295 PolarHBondContact OH-O 3.03Å; T295-T297 PolarHBondContact O-N 3.18Å; T295-T297 VanDerWaalsContact O-N 3.14Å; T295-T297 PolarHBondContact OG1-N 2.88Å; T295-T297 PolarHBondContact OG1-OG1 2.84Å; T295-G298 PolarHBondContact O-N 2.91Å; T295-G298 VanDerWaalsContact O-N 3.11Å; T295-R299 HydrophobicContact CG2-CB 4.08Å; T295-R299 PolarHBondContact N-O 3.14Å; T295-R299 VanDerWaalsContact OG1-CB 3.26Å; T295-R299 WeakPolarHBondContact OG1-CB 3.38Å; T295-R299 PolarHBondContact OG1-N 2.92Å; T295-R299 VanDerWaalsContact OG1-N 3.14Å | ||
| 296 | N | 96.3 | Very high | 95.7 | Very high | 93 Ų | 93 | 25.2 Ų | 25.2 | 50% | 0.497 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -11.4 | 173.5 | -66.5 | -56.2 | 0 | 0 | 0 | 112.6 | D275 G298 A322 T323 | D275-N296 PolarHBondContact OD2-N 3.41Å; D275-N296 PolarHBondContact OD2-ND2 3.27Å; N296-G298 VanDerWaalsContact C-N 3.34Å; N296-A322 WeakPolarHBondContact O-CA 3.1Å; N296-T323 PolarHBondContact OD1-OG1 2.84Å |
| 297 | T | 95.4 | Very high | 95.9 | Very high | 100 Ų | 100 | 26.8 Ų | 26.8 | 61% | 0.613 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -1.8 | 175.6 | 59.4 | 0 | 0 | 0 | 0 | 113.5 | T295 | T295-T297 PolarHBondContact O-N 3.18Å; T295-T297 VanDerWaalsContact O-N 3.14Å; T295-T297 PolarHBondContact OG1-N 2.88Å; T295-T297 PolarHBondContact OG1-OG1 2.84Å |
| 298 | G | 95.5 | Very high | 96 | Very high | 3 Ų | 3 | 28 Ų | 28 | 3% | 0.031 | 17% | 0.166 | C | C | . | . | S | Bend | trans | 92.3 | 16.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115 | T295 N296 A322 | T295-G298 PolarHBondContact O-N 2.91Å; T295-G298 VanDerWaalsContact O-N 3.11Å; N296-G298 VanDerWaalsContact C-N 3.34Å; G298-A322 WeakPolarHBondContact CA-O 3.48Å |
| 299 | R | 95.6 | Very high | 96.1 | Very high | 67 Ų | 67 | 26.7 Ų | 26.7 | 25% | 0.253 | 16% | 0.16 | S | C | . | . | trans | -80 | 142.6 | 169.8 | -163.2 | 176.8 | -94.7 | 161.8 | -16.1 | 109.5 | D272 G294 T295 H301 L316 Q317 | D272-R299 IonicContact OD1-CZ 3.54Å; D272-R299 IonicContact OD1-NH1 2.76Å; D272-R299 PolarHBondContact OD1-NH1 2.87Å; D272-R299 WeakPolarHBondContact OD2-CD 3.35Å; D272-R299 IonicContact OD2-CZ 3.23Å; D272-R299 IonicContact OD2-NE 2.88Å; D272-R299 PolarHBondContact OD2-NE 2.83Å; D272-R299 IonicContact OD2-NH1 2.73Å; D272-R299 PolarHBondContact OD2-NH1 2.77Å; G294-R299 CarbonylContact C-O 3.59Å; G294-R299 WeakPolarHBondContact CA-O 3.04Å; T295-R299 HydrophobicContact CG2-CB 4.08Å; T295-R299 PolarHBondContact N-O 3.14Å; T295-R299 VanDerWaalsContact OG1-CB 3.26Å; T295-R299 WeakPolarHBondContact OG1-CB 3.38Å; T295-R299 PolarHBondContact OG1-N 2.92Å; T295-R299 VanDerWaalsContact OG1-N 3.14Å; R299-H301 VanDerWaalsContact CD-CE1 3.48Å; R299-H301 WeakPolarHBondContact CD-CE1 3.42Å; R299-L316 WeakPolarHBondContact CA-O 3.48Å; R299-L316 VanDerWaalsContact CG-O 3.27Å; R299-L316 WeakPolarHBondContact CG-O 3.42Å; R299-Q317 HydrophobicContact CG-CB 4.24Å | ||
| 300 | I | 96.3 | Very high | 96.1 | Very high | 3 Ų | 3 | 27 Ų | 27 | 2% | 0.015 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 129.9 | 179.9 | -54.4 | 174 | 0 | 0 | 0 | 108.2 | I292 S315 L316 V324 T338 | I292-I300 HydrophobicContact CG2-CG2 3.54Å; I300-S315 CarbonylContact O-C 3.5Å; I300-S315 WeakPolarHBondContact O-CA 3.06Å; I300-L316 HydrophobicContact CB-CB 4.27Å; I300-L316 PolarHBondContact N-O 2.89Å; I300-L316 PolarHBondContact O-N 2.98Å; I300-V324 HydrophobicContact CD1-CG1 4.18Å; I300-V324 HydrophobicContact CD1-CG2 4.04Å; I300-V324 HydrophobicContact CG1-CB 4.41Å; I300-V324 HydrophobicContact CG1-CG1 4.5Å; I300-V324 HydrophobicContact CG1-CG2 3.87Å; I300-T338 HydrophobicContact CD1-CG2 3.57Å |
| 301 | H | 95.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 132.5 | 179.6 | -59.3 | -53.7 | 0 | 0 | 0 | 110.9 | M269 D272 S273 I292 G293 R299 M303 H312 S315 | M269-H301 VanDerWaalsContact CE-CE1 3.48Å; M269-H301 WeakPolarHBondContact CE-CE1 3.21Å; D272-H301 IonicContact OD2-CE1 3Å; D272-H301 PolarHBondContact OD2-CE1 2.96Å; D272-H301 IonicContact OD2-NE2 2.76Å; S273-H301 PolarHBondContact O-NE2 3.13Å; S273-H301 VanDerWaalsContact O-NE2 3.16Å; I292-H301 VanDerWaalsContact CA-O 3.32Å; I292-H301 WeakPolarHBondContact CA-O 3.42Å; G293-H301 PolarHBondContact N-O 2.73Å; G293-H301 PolarHBondContact O-N 3.36Å; R299-H301 VanDerWaalsContact CD-CE1 3.48Å; R299-H301 WeakPolarHBondContact CD-CE1 3.42Å; H301-M303 HydrophobicContact CB-CE 4.44Å; H301-H312 AromaticContact ND1-NE2 3.8Å; H301-S315 PolarHBondContact CE1-OG 2.5Å; H301-S315 PolarHBondContact ND1-OG 3.31Å |
| 302 | L | 95.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 128.6 | 164.5 | -175.6 | 71.4 | 0 | 0 | 0 | 108.8 | F8 H290 I292 V313 T314 | F8-L302 HydrophobicContact CB-CD2 3.64Å; F8-L302 HydrophobicContact CD1-CB 3.89Å; F8-L302 HydrophobicContact CD1-CD2 4.05Å; F8-L302 HydrophobicContact CD1-CG 4.48Å; F8-L302 HydrophobicContact CD2-CD1 4.34Å; F8-L302 HydrophobicContact CD2-CD2 4.07Å; F8-L302 HydrophobicContact CE1-CB 3.87Å; F8-L302 HydrophobicContact CE2-CD1 4.29Å; F8-L302 HydrophobicContact CG-CB 4.33Å; F8-L302 HydrophobicContact CG-CD2 3.68Å; F8-L302 HydrophobicContact CG-CG 4.43Å; F8-L302 HydrophobicContact CZ-CB 4.34Å; H290-L302 HydrophobicContact CB-CD1 3.68Å; I292-L302 HydrophobicContact CD1-CD1 4.47Å; I292-L302 HydrophobicContact CG1-CD1 4.21Å; L302-V313 HydrophobicContact CD2-CB 4.39Å; L302-V313 HydrophobicContact CD2-CG1 4.26Å; L302-V313 HydrophobicContact CG-CB 4.43Å; L302-V313 WeakPolarHBondContact O-CB 3.14Å; L302-V313 PolarHBondContact O-N 3.39Å; L302-T314 HydrophobicContact CB-CG2 4.11Å; L302-T314 HydrophobicContact CD2-CG2 4.42Å; L302-T314 PolarHBondContact N-O 3.45Å; L302-T314 PolarHBondContact O-N 3.22Å |
| 303 | M | 95.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 135.5 | 174 | -65.7 | 159.1 | -76.7 | 0 | 0 | 109.5 | V263 V267 L274 L277 H290 V291 H301 T311 | V263-M303 HydrophobicContact CG1-SD 4.4Å; V267-M303 HydrophobicContact CG1-SD 4.26Å; V267-M303 HydrophobicContact CG2-SD 4.18Å; L274-M303 HydrophobicContact CD1-CE 4.31Å; L274-M303 HydrophobicContact CD2-CE 4.36Å; L274-M303 HydrophobicContact CD2-SD 3.99Å; L277-M303 HydrophobicContact CD2-CE 4.11Å; H290-M303 CarbonylContact C-O 3.59Å; H290-M303 VanDerWaalsContact CA-O 3.22Å; H290-M303 WeakPolarHBondContact CA-O 3.22Å; H290-M303 WeakPolarHBondContact CB-O 3.21Å; V291-M303 HydrophobicContact CB-CB 4.41Å; V291-M303 HydrophobicContact CB-CE 4.36Å; V291-M303 HydrophobicContact CG1-CE 3.89Å; V291-M303 PolarHBondContact N-O 2.82Å; V291-M303 WeakPolarHBondContact O-CE 3.1Å; V291-M303 PolarHBondContact O-N 2.79Å; H301-M303 HydrophobicContact CB-CE 4.44Å; M303-T311 CarbonylContact C-O 3.58Å; M303-T311 VanDerWaalsContact CA-O 3.25Å; M303-T311 WeakPolarHBondContact CA-O 3.48Å |
| 304 | N | 95.3 | Very high | 95.4 | Very high | 35 Ų | 35 | 36.9 Ų | 36.9 | 19% | 0.187 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 136.5 | 171.5 | 177.7 | 47.1 | 0 | 0 | 0 | 109.3 | L310 T311 V313 | N304-L310 WeakPolarHBondContact O-CA 3.29Å; N304-T311 PolarHBondContact N-O 2.86Å; N304-T311 PolarHBondContact O-N 3.37Å; N304-V313 HydrophobicContact CB-CG2 3.76Å |
| 305 | C | 96.9 | Very high | 95.2 | Very high | 8 Ų | 8 | 38.5 Ų | 38.5 | 5% | 0.054 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 125 | 177.6 | -177.7 | 0 | 0 | 0 | 0 | 111 | F241 L289 V291 L310 | F241-C305 VanDerWaalsContact CE1-SG 3.59Å; L289-C305 HydrophobicContact CB-CB 4.13Å; L289-C305 HydrophobicContact CD2-CB 4.37Å; L289-C305 HydrophobicContact CG-CB 4.08Å; L289-C305 WeakPolarHBondContact O-CA 3.28Å; L289-C305 WeakPolarHBondContact O-CB 3.48Å; L289-C305 PolarHBondContact O-N 3.02Å; V291-C305 HydrophobicContact CG2-CB 4.38Å; C305-L310 HydrophobicContact CB-CD2 3.49Å; C305-L310 VanDerWaalsContact CB-CD2 3.49Å |
| 306 | S | 96 | Very high | 95 | Very high | 33 Ų | 33 | 38.9 Ų | 38.9 | 23% | 0.231 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 170.3 | 172.3 | 72 | 0 | 0 | 0 | 0 | 110.6 | S308 G309 | S306-S308 PolarHBondContact O-N 3.23Å; S306-S308 VanDerWaalsContact O-N 3.13Å; S306-S308 PolarHBondContact OG-N 3.48Å; S306-S308 PolarHBondContact OG-OG 2.98Å; S306-G309 PolarHBondContact N-O 2.74Å; S306-G309 VanDerWaalsContact N-O 3.15Å; S306-G309 PolarHBondContact O-N 3.17Å; S306-G309 PolarHBondContact OG-O 3.38Å |
| 307 | T | 94.4 | Very high | 94.8 | Very high | 87 Ų | 87 | 39.8 Ų | 39.8 | 53% | 0.534 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -15.4 | 178.8 | 53.9 | 0 | 0 | 0 | 0 | 113.5 | W243 | W243-T307 HydrophobicContact CZ3-CG2 4.11Š|
| 308 | S | 94.2 | Very high | 94.4 | Very high | 109 Ų | 109 | 38.6 Ų | 38.6 | 76% | 0.762 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -6.3 | 174.7 | 63.5 | 0 | 0 | 0 | 0 | 113.7 | S306 | S306-S308 PolarHBondContact O-N 3.23Å; S306-S308 VanDerWaalsContact O-N 3.13Å; S306-S308 PolarHBondContact OG-N 3.48Å; S306-S308 PolarHBondContact OG-OG 2.98Å |
| 309 | G | 95.9 | Very high | 94.1 | Very high | 12 Ų | 12 | 39.1 Ų | 39.1 | 12% | 0.124 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 131.2 | -174.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | S306 | S306-G309 PolarHBondContact N-O 2.74Å; S306-G309 VanDerWaalsContact N-O 3.15Å; S306-G309 PolarHBondContact O-N 3.17Å; S306-G309 PolarHBondContact OG-O 3.38Å |
| 310 | L | 96.9 | Very high | 94.1 | Very high | 13 Ų | 13 | 36.4 Ų | 36.4 | 7% | 0.068 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 134.5 | 174.9 | -61.6 | -177.6 | 0 | 0 | 0 | 110.2 | F241 L258 I260 V263 V267 V291 N304 C305 | F241-L310 HydrophobicContact CB-CD1 4.37Å; F241-L310 HydrophobicContact CD1-CD1 4.28Å; F241-L310 HydrophobicContact CD1-CD2 4.41Å; F241-L310 HydrophobicContact CE1-CD2 4.31Å; F241-L310 HydrophobicContact CG-CD1 4.23Å; L258-L310 HydrophobicContact CD2-CD2 4.29Å; L258-L310 HydrophobicContact CD2-CG 4.42Å; I260-L310 HydrophobicContact CD1-CB 4.29Å; I260-L310 HydrophobicContact CD1-CD1 4.13Å; I260-L310 HydrophobicContact CD1-CG 3.78Å; V263-L310 HydrophobicContact CB-CD1 4.43Å; V263-L310 HydrophobicContact CG1-CD1 3.6Å; V263-L310 HydrophobicContact CG2-CD1 3.83Å; V267-L310 HydrophobicContact CG2-CB 3.69Å; V291-L310 HydrophobicContact CB-CD1 4.3Å; V291-L310 HydrophobicContact CB-CD2 4.38Å; V291-L310 HydrophobicContact CG1-CD1 4.3Å; V291-L310 HydrophobicContact CG2-CD1 4.17Å; V291-L310 HydrophobicContact CG2-CD2 3.82Å; N304-L310 WeakPolarHBondContact O-CA 3.29Å; C305-L310 HydrophobicContact CB-CD2 3.49Å; C305-L310 VanDerWaalsContact CB-CD2 3.49Å |
| 311 | T | 95 | Very high | 94 | Very high | 71 Ų | 71 | 38.5 Ų | 38.5 | 44% | 0.436 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 126.7 | 177 | 57.5 | 0 | 0 | 0 | 0 | 110 | M303 N304 V313 | M303-T311 CarbonylContact C-O 3.58Å; M303-T311 VanDerWaalsContact CA-O 3.25Å; M303-T311 WeakPolarHBondContact CA-O 3.48Å; N304-T311 PolarHBondContact N-O 2.86Å; N304-T311 PolarHBondContact O-N 3.37Å; T311-V313 PolarHBondContact O-N 3.41Å |
| 312 | H | 94.3 | Very high | 94 | Very high | 66 Ų | 66 | 39.5 Ų | 39.5 | 31% | 0.306 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 132.3 | 173.1 | 177.3 | -99.5 | 0 | 0 | 0 | 111 | V267 M269 H301 T314 S315 | V267-H312 HydrophobicContact CG1-CB 4.14Å; M269-H312 HydrophobicContact SD-CB 4.01Å; H301-H312 AromaticContact ND1-NE2 3.8Å; H312-T314 PolarHBondContact NE2-O 3.33Å; H312-S315 PolarHBondContact NE2-OG 3.44Å |
| 313 | V | 92 | Very high | 94.1 | Very high | 44 Ų | 44 | 39.9 Ų | 39.9 | 27% | 0.267 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | -59.9 | 180 | 176.8 | 0 | 0 | 0 | 0 | 110.1 | E5 L302 N304 T311 | E5-V313 HydrophobicContact CB-CG1 3.56Å; E5-V313 HydrophobicContact CG-CG1 3.68Å; E5-V313 HydrophobicContact CG-CG2 4.31Å; L302-V313 HydrophobicContact CD2-CB 4.39Å; L302-V313 HydrophobicContact CD2-CG1 4.26Å; L302-V313 HydrophobicContact CG-CB 4.43Å; L302-V313 WeakPolarHBondContact O-CB 3.14Å; L302-V313 PolarHBondContact O-N 3.39Å; N304-V313 HydrophobicContact CB-CG2 3.76Å; T311-V313 PolarHBondContact O-N 3.41Å |
| 314 | T | 92 | Very high | 94.2 | Very high | 29 Ų | 29 | 40 Ų | 40 | 18% | 0.178 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 168.9 | -175.3 | -169.1 | 0 | 0 | 0 | 0 | 111.1 | F8 A9 L302 H312 | F8-T314 HydrophobicContact CB-CG2 4.3Å; F8-T314 HydrophobicContact CD1-CG2 3.71Å; F8-T314 HydrophobicContact CG-CG2 4.45Å; A9-T314 HydrophobicContact CB-CG2 4.32Å; L302-T314 HydrophobicContact CB-CG2 4.11Å; L302-T314 HydrophobicContact CD2-CG2 4.42Å; L302-T314 PolarHBondContact N-O 3.45Å; L302-T314 PolarHBondContact O-N 3.22Å; H312-T314 PolarHBondContact NE2-O 3.33Å |
| 315 | S | 93 | Very high | 94.3 | Very high | 34 Ų | 34 | 44 Ų | 44 | 24% | 0.238 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 132.2 | -179.9 | -55.6 | 0 | 0 | 0 | 0 | 111.5 | I300 H301 H312 | I300-S315 CarbonylContact O-C 3.5Å; I300-S315 WeakPolarHBondContact O-CA 3.06Å; H301-S315 PolarHBondContact CE1-OG 2.5Å; H301-S315 PolarHBondContact ND1-OG 3.31Å; H312-S315 PolarHBondContact NE2-OG 3.44Å |
| 316 | L | 93.6 | Very high | 94.3 | Very high | 9 Ų | 9 | 44.5 Ų | 44.5 | 5% | 0.047 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 137.3 | 167.3 | -54.4 | 176.5 | 0 | 0 | 0 | 109.6 | F8 L11 R299 I300 L336 W348 | F8-L316 HydrophobicContact CD1-CD1 4.16Å; F8-L316 HydrophobicContact CD1-CD2 4.24Å; F8-L316 HydrophobicContact CD1-CG 4.08Å; F8-L316 HydrophobicContact CE1-CD1 3.48Å; F8-L316 VanDerWaalsContact CE1-CD1 3.48Å; F8-L316 HydrophobicContact CE1-CD2 4.25Å; F8-L316 HydrophobicContact CE1-CG 3.59Å; F8-L316 HydrophobicContact CZ-CD1 3.82Å; F8-L316 HydrophobicContact CZ-CG 4.41Å; L11-L316 HydrophobicContact CB-CD1 4.47Å; L11-L316 HydrophobicContact CB-CD2 3.91Å; L11-L316 HydrophobicContact CD1-CD1 3.99Å; L11-L316 HydrophobicContact CD1-CD2 4.49Å; R299-L316 WeakPolarHBondContact CA-O 3.48Å; R299-L316 VanDerWaalsContact CG-O 3.27Å; R299-L316 WeakPolarHBondContact CG-O 3.42Å; I300-L316 HydrophobicContact CB-CB 4.27Å; I300-L316 PolarHBondContact N-O 2.89Å; I300-L316 PolarHBondContact O-N 2.98Å; L316-L336 HydrophobicContact CD1-CD2 3.61Å; L316-W348 HydrophobicContact CB-CE3 4.38Å; L316-W348 HydrophobicContact CB-CH2 4.03Å; L316-W348 HydrophobicContact CB-CZ3 3.9Å; L316-W348 HydrophobicContact CD1-CD2 4.1Å; L316-W348 HydrophobicContact CD1-CE3 4.05Å; L316-W348 HydrophobicContact CD1-CZ3 4.4Å; L316-W348 HydrophobicContact CD2-CE3 4.43Å; L316-W348 HydrophobicContact CG-CZ3 4.5Å |
| 317 | Q | 91.6 | Very high | 94.3 | Very high | 113 Ų | 113 | 44.6 Ų | 44.6 | 53% | 0.528 | 28% | 0.276 | S | S | . | . | trans | -143.8 | 169.2 | -175.9 | 64.6 | -180 | 15.6 | 0 | 0 | 111.7 | R299 G319 | R299-Q317 HydrophobicContact CG-CB 4.24Å; Q317-G319 PolarHBondContact O-N 2.92Å | ||
| 318 | G | 86.8 | Confident | 94.3 | Very high | 74 Ų | 74 | 41.4 Ų | 41.4 | 76% | 0.763 | 26% | 0.258 | S | S | * | . | S | Bend | trans | 77.7 | -2.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 319 | G | 89.7 | Confident | 94.2 | Very high | 14 Ų | 14 | 37.3 Ų | 37.3 | 14% | 0.144 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -90.5 | -68.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q317 L346 | Q317-G319 PolarHBondContact O-N 2.92Å; G319-L346 VanDerWaalsContact CA-CD1 3.44Å |
| 320 | H | 95.1 | Very high | 93.8 | Very high | 11 Ų | 11 | 38 Ų | 38 | 5% | 0.051 | 23% | 0.226 | C | C | . | . | trans | -86.4 | 152.3 | -178.2 | -71.2 | -74 | 0 | 0 | 0 | 112.4 | V324 T338 D342 Q344 | H320-V324 HydrophobicContact CB-CG2 3.86Å; H320-V324 VanDerWaalsContact CD2-CG2 3.44Å; H320-V324 WeakPolarHBondContact CD2-CG2 3.45Å; H320-T338 WeakPolarHBondContact NE2-CB 3.25Å; H320-T338 PolarHBondContact NE2-OG1 3.04Å; H320-D342 WeakPolarHBondContact CA-OD2 3.43Å; H320-D342 VanDerWaalsContact CB-OD2 3.27Å; H320-D342 WeakPolarHBondContact CB-OD2 3.42Å; H320-D342 IonicContact CE1-OD1 3.78Å; H320-D342 IonicContact CG-OD2 3.2Å; H320-D342 VanDerWaalsContact ND1-CG 3.32Å; H320-D342 IonicContact ND1-OD1 3.36Å; H320-D342 PolarHBondContact ND1-OD1 3.45Å; H320-D342 VanDerWaalsContact ND1-OD1 3.09Å; H320-D342 IonicContact ND1-OD2 2.84Å; H320-D342 PolarHBondContact ND1-OD2 2.69Å; H320-Q344 PolarHBondContact CE1-O 2.97Å | ||
| 321 | A | 94.8 | Very high | 93.1 | Very high | 47 Ų | 47 | 40 Ų | 40 | 39% | 0.388 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -112.3 | 0.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | D342 | A321-D342 HydrophobicContact CB-CB 4.37Å; A321-D342 PolarHBondContact N-OD2 2.92Å |
| 322 | A | 95.7 | Very high | 92.4 | Very high | 21 Ų | 21 | 44.2 Ų | 44.2 | 17% | 0.174 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -151.9 | -178.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | N296 G298 V324 E341 D342 | N296-A322 WeakPolarHBondContact O-CA 3.1Å; G298-A322 WeakPolarHBondContact CA-O 3.48Å; A322-V324 PolarHBondContact O-N 2.9Å; A322-E341 HydrophobicContact CB-CB 4Å; A322-D342 HydrophobicContact CB-CB 4.08Å |
| 323 | T | 97 | Very high | 91.9 | Very high | 8 Ų | 8 | 43.3 Ų | 43.3 | 5% | 0.049 | 25% | 0.251 | C | S | . | . | trans | -51.3 | 128.4 | -180 | -62.5 | 0 | 0 | 0 | 0 | 112.8 | Y276 N296 G340 E341 | Y276-T323 HydrophobicContact CD1-CG2 4.43Å; Y276-T323 HydrophobicContact CE1-CG2 3.78Å; Y276-T323 HydrophobicContact CE2-CG2 4.03Å; Y276-T323 WeakPolarHBondContact OH-CA 3.39Å; N296-T323 PolarHBondContact OD1-OG1 2.84Å; T323-G340 CarbonylContact O-C 3.53Å; T323-G340 WeakPolarHBondContact O-CA 3.17Å; T323-E341 PolarHBondContact O-N 2.85Å | ||
| 324 | V | 97.9 | Very high | 91.6 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.012 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 122.8 | 173.4 | -177.3 | 0 | 0 | 0 | 0 | 107.9 | Y276 I278 I300 H320 A322 | Y276-V324 WeakPolarHBondContact CE2-O 3.2Å; Y276-V324 PolarHBondContact OH-N 2.99Å; I278-V324 HydrophobicContact CD1-CB 3.9Å; I278-V324 HydrophobicContact CD1-CG1 4.01Å; I300-V324 HydrophobicContact CD1-CG1 4.18Å; I300-V324 HydrophobicContact CD1-CG2 4.04Å; I300-V324 HydrophobicContact CG1-CB 4.41Å; I300-V324 HydrophobicContact CG1-CG1 4.5Å; I300-V324 HydrophobicContact CG1-CG2 3.87Å; H320-V324 HydrophobicContact CB-CG2 3.86Å; H320-V324 VanDerWaalsContact CD2-CG2 3.44Å; H320-V324 WeakPolarHBondContact CD2-CG2 3.45Å; A322-V324 PolarHBondContact O-N 2.9Å |
| 325 | R | 96.8 | Very high | 91.6 | Very high | 118 Ų | 118 | 41.7 Ų | 41.7 | 45% | 0.445 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | -27.1 | -172.4 | -67.9 | -65.7 | -174.5 | -171.9 | -0.5 | 112.9 | L26 G339 E341 | L26-R325 WeakPolarHBondContact O-CB 3.42Å; R325-G339 PolarHBondContact N-O 2.65Å; R325-E341 HydrophobicContact CG-CG 4.01Å; R325-E341 IonicContact CZ-OE1 3.09Å; R325-E341 IonicContact NE-OE1 3.66Å; R325-E341 PolarHBondContact NE-OE1 3.22Å; R325-E341 IonicContact NH2-OE1 3.36Å; R325-E341 PolarHBondContact NH2-OE1 3.14Å |
| 326 | S | 96.9 | Very high | 91.6 | Very high | 20 Ų | 20 | 40 Ų | 40 | 14% | 0.14 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 150.4 | -176.5 | -165.4 | 0 | 0 | 0 | 0 | 111.5 | I29 T338 G339 | I29-S326 PolarHBondContact N-OG 3.36Å; S326-T338 WeakPolarHBondContact O-CA 3.48Å; S326-G339 PolarHBondContact N-O 3.13Å; S326-G339 VanDerWaalsContact N-O 3.11Å; S326-G339 PolarHBondContact O-N 3.24Å |
| 327 | F | 97.1 | Very high | 91.8 | Very high | 34 Ų | 34 | 39.6 Ų | 39.6 | 15% | 0.149 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 158.2 | 173.4 | 73.8 | -86.1 | 0 | 0 | 0 | 110.9 | I278 L281 I292 L336 L337 T338 | I278-F327 HydrophobicContact CB-CD1 4.31Å; I278-F327 HydrophobicContact CB-CE1 4.39Å; I278-F327 HydrophobicContact CG2-CD1 3.71Å; I278-F327 HydrophobicContact CG2-CE1 4.12Å; L281-F327 HydrophobicContact CB-CE2 4.41Å; I292-F327 HydrophobicContact CB-CD1 4.39Å; I292-F327 HydrophobicContact CB-CE1 3.91Å; I292-F327 HydrophobicContact CB-CZ 4.18Å; I292-F327 HydrophobicContact CD1-CD1 4.25Å; I292-F327 HydrophobicContact CD1-CD2 3.76Å; I292-F327 HydrophobicContact CD1-CE1 4.05Å; I292-F327 HydrophobicContact CD1-CE2 3.54Å; I292-F327 HydrophobicContact CD1-CG 4.12Å; I292-F327 HydrophobicContact CD1-CZ 3.69Å; I292-F327 HydrophobicContact CG1-CE1 4.16Å; I292-F327 HydrophobicContact CG1-CE2 4.25Å; I292-F327 HydrophobicContact CG1-CZ 3.9Å; I292-F327 HydrophobicContact CG2-CD1 4.41Å; I292-F327 HydrophobicContact CG2-CE1 4.42Å; F327-L336 HydrophobicContact CB-CD1 4.05Å; F327-L336 HydrophobicContact CD2-CD1 3.91Å; F327-L336 HydrophobicContact CG-CD1 4.39Å; F327-L337 CarbonylContact C-O 3.59Å; F327-L337 WeakPolarHBondContact CA-O 3.27Å; F327-T338 HydrophobicContact CB-CG2 4.12Å |
| 328 | C | 95 | Very high | 92.1 | Very high | 21 Ų | 21 | 34.2 Ų | 34.2 | 14% | 0.142 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 119.1 | 170.4 | -172.9 | 0 | 0 | 0 | 0 | 109.3 | I29 T31 L337 | I29-C328 HydrophobicContact CG2-CB 3.93Å; T31-C328 HydrophobicContact CG2-CB 4.13Å; T31-C328 PolarHBondContact OG1-SG 3.4Å; T31-C328 VanDerWaalsContact OG1-SG 3.36Å; C328-L337 HydrophobicContact CB-CB 4.39Å; C328-L337 PolarHBondContact N-O 3.19Å; C328-L337 PolarHBondContact O-N 3.01Å |
| 329 | W | 91.9 | Very high | 92.6 | Very high | 22 Ų | 22 | 30.7 Ų | 30.7 | 8% | 0.083 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 132 | 175.3 | 178.6 | -102.9 | 0 | 0 | 0 | 110.4 | I4 Q7 F8 L11 L281 D334 L336 | I4-W329 HydrophobicContact CD1-CZ2 4.43Å; I4-W329 HydrophobicContact CG1-CZ2 4.23Å; Q7-W329 HydrophobicContact CB-CH2 4.49Å; F8-W329 HydrophobicContact CD2-CE3 4.39Å; F8-W329 AromaticContact CD2-CZ3 3.99Å; F8-W329 HydrophobicContact CD2-CZ3 3.99Å; F8-W329 HydrophobicContact CE2-CE3 4.46Å; F8-W329 HydrophobicContact CE2-CZ3 4.41Å; L11-W329 HydrophobicContact CD1-CZ3 3.89Å; L11-W329 HydrophobicContact CD2-CZ3 4.34Å; L281-W329 HydrophobicContact CD1-CB 3.52Å; L281-W329 HydrophobicContact CD1-CG 3.82Å; L281-W329 HydrophobicContact CD2-CB 4.1Å; L281-W329 HydrophobicContact CD2-CD2 4.26Å; L281-W329 HydrophobicContact CD2-CG 3.91Å; L281-W329 HydrophobicContact CG-CB 4.48Å; W329-D334 HydrophobicContact CH2-CB 3.92Å; W329-D334 VanDerWaalsContact CH2-O 3.32Å; W329-D334 WeakPolarHBondContact CH2-O 3.23Å; W329-D334 HydrophobicContact CZ2-CB 3.9Å; W329-L336 HydrophobicContact CE3-CB 3.95Å; W329-L336 HydrophobicContact CE3-CD1 4.12Å; W329-L336 HydrophobicContact CZ3-CB 4.12Å |
| 330 | N | 87.8 | Confident | 92.9 | Very high | 27 Ų | 27 | 30 Ų | 30 | 14% | 0.144 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 108.8 | 173.3 | -173.1 | 6.1 | 0 | 0 | 0 | 110.8 | K57 Q332 D333 D334 S335 | K57-N330 PolarHBondContact NZ-ND2 3Å; N330-Q332 PolarHBondContact O-N 3.12Å; N330-Q332 WeakPolarHBondContact OD1-CB 3.41Å; N330-Q332 PolarHBondContact OD1-N 2.7Å; N330-Q332 VanDerWaalsContact OD1-N 3.1Å; N330-D333 WeakPolarHBondContact CB-OD1 3.21Å; N330-D333 PolarHBondContact ND2-OD1 2.94Å; N330-D334 VanDerWaalsContact O-CA 3.27Å; N330-D334 WeakPolarHBondContact O-CA 3.35Å; N330-D334 PolarHBondContact O-N 3.1Å; N330-S335 WeakPolarHBondContact CB-OG 3.16Å; N330-S335 PolarHBondContact N-O 3.27Å; N330-S335 PolarHBondContact O-N 2.99Å |
| 331 | V | 81 | Confident | 92.9 | Very high | 56 Ų | 56 | 31.7 Ų | 31.7 | 34% | 0.339 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -15.8 | 179.4 | -176 | 0 | 0 | 0 | 0 | 112.9 | ||
| 332 | Q | 81.1 | Confident | 92.9 | Very high | 158 Ų | 158 | 30.3 Ų | 30.3 | 74% | 0.738 | 15% | 0.152 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -38.5 | -177.8 | -64.8 | -175.7 | 0.8 | 0 | 0 | 113.2 | N330 | N330-Q332 PolarHBondContact O-N 3.12Å; N330-Q332 WeakPolarHBondContact OD1-CB 3.41Å; N330-Q332 PolarHBondContact OD1-N 2.7Å; N330-Q332 VanDerWaalsContact OD1-N 3.1Å |
| 333 | D | 83.1 | Confident | 92.9 | Very high | 47 Ų | 47 | 29.9 Ų | 29.9 | 25% | 0.251 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -125.5 | 13.5 | -176.9 | 76.2 | -25.5 | 0 | 0 | 0 | 113.4 | N330 S335 K349 | N330-D333 WeakPolarHBondContact CB-OD1 3.21Å; N330-D333 PolarHBondContact ND2-OD1 2.94Å; D333-S335 VanDerWaalsContact CG-OG 3.3Å; D333-S335 PolarHBondContact O-N 2.86Å; D333-S335 VanDerWaalsContact O-N 3.1Å; D333-S335 VanDerWaalsContact OD1-CB 3.26Å; D333-S335 WeakPolarHBondContact OD1-CB 3.33Å; D333-S335 PolarHBondContact OD1-N 3.23Å; D333-S335 PolarHBondContact OD1-OG 3.33Å; D333-S335 PolarHBondContact OD2-OG 3.42Å; D333-K349 WeakPolarHBondContact OD2-CE 3.39Å; D333-K349 IonicContact OD2-NZ 2.92Å; D333-K349 PolarHBondContact OD2-NZ 3.09Å |
| 334 | D | 86.1 | Confident | 92.8 | Very high | 38 Ų | 38 | 31.7 Ų | 31.7 | 20% | 0.203 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.7 | 33.5 | -179 | -55.7 | -46 | 0 | 0 | 0 | 112.9 | Q7 L11 W329 N330 P350 | Q7-D334 PolarHBondContact NE2-OD1 3.36Å; Q7-D334 PolarHBondContact NE2-OD2 3.16Å; L11-D334 WeakPolarHBondContact CD2-O 3.47Å; W329-D334 HydrophobicContact CH2-CB 3.92Å; W329-D334 VanDerWaalsContact CH2-O 3.32Å; W329-D334 WeakPolarHBondContact CH2-O 3.23Å; W329-D334 HydrophobicContact CZ2-CB 3.9Å; N330-D334 VanDerWaalsContact O-CA 3.27Å; N330-D334 WeakPolarHBondContact O-CA 3.35Å; N330-D334 PolarHBondContact O-N 3.1Å; D334-P350 HydrophobicContact CB-CG 4.32Å; D334-P350 WeakPolarHBondContact O-CD 3.5Å |
| 335 | S | 91.1 | Very high | 92.7 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.007 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 148 | 178.2 | 67.9 | 0 | 0 | 0 | 0 | 111.8 | N330 D333 W348 | N330-S335 WeakPolarHBondContact CB-OG 3.16Å; N330-S335 PolarHBondContact N-O 3.27Å; N330-S335 PolarHBondContact O-N 2.99Å; D333-S335 VanDerWaalsContact CG-OG 3.3Å; D333-S335 PolarHBondContact O-N 2.86Å; D333-S335 VanDerWaalsContact O-N 3.1Å; D333-S335 VanDerWaalsContact OD1-CB 3.26Å; D333-S335 WeakPolarHBondContact OD1-CB 3.33Å; D333-S335 PolarHBondContact OD1-N 3.23Å; D333-S335 PolarHBondContact OD1-OG 3.33Å; D333-S335 PolarHBondContact OD2-OG 3.42Å; S335-W348 VanDerWaalsContact CA-O 3.28Å; S335-W348 WeakPolarHBondContact CA-O 3.3Å; S335-W348 WeakPolarHBondContact CB-O 3.2Å |
| 336 | L | 94.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 130.9 | 175.1 | -179.4 | 71.5 | 0 | 0 | 0 | 108.7 | F8 L11 L316 F327 W329 T338 W348 | F8-L336 HydrophobicContact CE2-CD1 4.43Å; F8-L336 HydrophobicContact CE2-CD2 3.87Å; F8-L336 HydrophobicContact CZ-CD2 3.71Å; L11-L336 HydrophobicContact CD1-CB 4.06Å; L11-L336 HydrophobicContact CD1-CD2 4.24Å; L316-L336 HydrophobicContact CD1-CD2 3.61Å; F327-L336 HydrophobicContact CB-CD1 4.05Å; F327-L336 HydrophobicContact CD2-CD1 3.91Å; F327-L336 HydrophobicContact CG-CD1 4.39Å; W329-L336 HydrophobicContact CE3-CB 3.95Å; W329-L336 HydrophobicContact CE3-CD1 4.12Å; W329-L336 HydrophobicContact CZ3-CB 4.12Å; L336-T338 HydrophobicContact CD1-CG2 4.41Å; L336-T338 HydrophobicContact CD2-CG2 3.71Å; L336-T338 HydrophobicContact CG-CG2 3.78Å; L336-W348 HydrophobicContact CB-CB 4.14Å; L336-W348 HydrophobicContact CB-CG 4.45Å; L336-W348 HydrophobicContact CD2-CG 4.49Å; L336-W348 PolarHBondContact N-O 3.04Å; L336-W348 VanDerWaalsContact O-CD1 3.29Å; L336-W348 PolarHBondContact O-N 3.29Å |
| 337 | L | 96.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 132 | 168.3 | -162 | 71.2 | 0 | 0 | 0 | 108.7 | I29 T31 A43 L60 F327 C328 L345 L346 L347 | I29-L337 HydrophobicContact CG2-CD2 3.78Å; I29-L337 HydrophobicContact CG2-CG 4.49Å; T31-L337 HydrophobicContact CG2-CD2 4.33Å; A43-L337 HydrophobicContact CB-CD2 3.69Å; L60-L337 HydrophobicContact CD2-CD1 3.72Å; F327-L337 CarbonylContact C-O 3.59Å; F327-L337 WeakPolarHBondContact CA-O 3.27Å; C328-L337 HydrophobicContact CB-CB 4.39Å; C328-L337 PolarHBondContact N-O 3.19Å; C328-L337 PolarHBondContact O-N 3.01Å; L337-L345 HydrophobicContact CD1-CD1 4.11Å; L337-L345 HydrophobicContact CD1-CD2 4.36Å; L337-L345 HydrophobicContact CD1-CG 3.97Å; L337-L345 HydrophobicContact CD2-CD1 3.9Å; L337-L345 HydrophobicContact CD2-CD2 4.35Å; L337-L345 HydrophobicContact CD2-CG 4.38Å; L337-L345 HydrophobicContact CG-CD1 3.74Å; L337-L345 HydrophobicContact CG-CG 4.18Å; L337-L346 CarbonylContact C-O 3.56Å; L337-L346 WeakPolarHBondContact CA-O 3.3Å; L337-L346 WeakPolarHBondContact CD1-O 3.37Å; L337-L347 HydrophobicContact CD1-CB 4.1Å; L337-L347 HydrophobicContact CD1-CD1 4.13Å |
| 338 | T | 97.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 146.4 | 180 | 58.5 | 0 | 0 | 0 | 0 | 111.2 | I300 H320 S326 F327 L336 L345 L346 W348 | I300-T338 HydrophobicContact CD1-CG2 3.57Å; H320-T338 WeakPolarHBondContact NE2-CB 3.25Å; H320-T338 PolarHBondContact NE2-OG1 3.04Å; S326-T338 WeakPolarHBondContact O-CA 3.48Å; F327-T338 HydrophobicContact CB-CG2 4.12Å; L336-T338 HydrophobicContact CD1-CG2 4.41Å; L336-T338 HydrophobicContact CD2-CG2 3.71Å; L336-T338 HydrophobicContact CG-CG2 3.78Å; T338-L345 WeakPolarHBondContact O-CA 3.41Å; T338-L346 PolarHBondContact N-O 2.91Å; T338-L346 PolarHBondContact O-N 2.78Å; T338-W348 PolarHBondContact OG1-NE1 2.83Å |
| 339 | G | 97.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 148.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | R325 S326 Q344 | R325-G339 PolarHBondContact N-O 2.65Å; S326-G339 PolarHBondContact N-O 3.13Å; S326-G339 VanDerWaalsContact N-O 3.11Å; S326-G339 PolarHBondContact O-N 3.24Å; G339-Q344 WeakPolarHBondContact CA-O 3.23Å |
| 340 | G | 95.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | -161.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | L26 T323 D342 A343 | L26-G340 PolarHBondContact N-O 3.32Å; T323-G340 CarbonylContact O-C 3.53Å; T323-G340 WeakPolarHBondContact O-CA 3.17Å; G340-D342 VanDerWaalsContact C-N 3.26Å; G340-D342 PolarHBondContact O-N 3.43Å; G340-A343 PolarHBondContact O-N 2.78Å |
| 341 | E | 96.1 | Very high | 91.5 | Very high | 45 Ų | 45 | 28.5 Ų | 28.5 | 21% | 0.21 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -8 | -174.8 | -59.6 | -167.8 | 157.4 | 0 | 0 | 114.1 | Y25 A322 T323 R325 A343 | Y25-E341 HydrophobicContact CD1-CB 4.05Å; Y25-E341 WeakPolarHBondContact CD1-O 3.43Å; Y25-E341 HydrophobicContact CD2-CB 4.33Å; Y25-E341 HydrophobicContact CD2-CG 4.13Å; Y25-E341 HydrophobicContact CE1-CB 4.23Å; Y25-E341 WeakPolarHBondContact CE1-O 3.19Å; Y25-E341 HydrophobicContact CE2-CB 4.47Å; Y25-E341 HydrophobicContact CE2-CG 4.47Å; Y25-E341 HydrophobicContact CG-CB 4.11Å; Y25-E341 HydrophobicContact CG-CG 4.22Å; A322-E341 HydrophobicContact CB-CB 4Å; T323-E341 PolarHBondContact O-N 2.85Å; R325-E341 HydrophobicContact CG-CG 4.01Å; R325-E341 IonicContact CZ-OE1 3.09Å; R325-E341 IonicContact NE-OE1 3.66Å; R325-E341 PolarHBondContact NE-OE1 3.22Å; R325-E341 IonicContact NH2-OE1 3.36Å; R325-E341 PolarHBondContact NH2-OE1 3.14Å; E341-A343 PolarHBondContact O-N 2.83Å |
| 342 | D | 94.9 | Very high | 90.8 | Very high | 18 Ų | 18 | 26.7 Ų | 26.7 | 10% | 0.096 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 5.3 | 170.9 | 61.5 | 3.2 | 0 | 0 | 0 | 113.1 | H320 A321 A322 G340 Q344 | H320-D342 WeakPolarHBondContact CA-OD2 3.43Å; H320-D342 VanDerWaalsContact CB-OD2 3.27Å; H320-D342 WeakPolarHBondContact CB-OD2 3.42Å; H320-D342 IonicContact CE1-OD1 3.78Å; H320-D342 IonicContact CG-OD2 3.2Å; H320-D342 VanDerWaalsContact ND1-CG 3.32Å; H320-D342 IonicContact ND1-OD1 3.36Å; H320-D342 PolarHBondContact ND1-OD1 3.45Å; H320-D342 VanDerWaalsContact ND1-OD1 3.09Å; H320-D342 IonicContact ND1-OD2 2.84Å; H320-D342 PolarHBondContact ND1-OD2 2.69Å; A321-D342 HydrophobicContact CB-CB 4.37Å; A321-D342 PolarHBondContact N-OD2 2.92Å; A322-D342 HydrophobicContact CB-CB 4.08Å; G340-D342 VanDerWaalsContact C-N 3.26Å; G340-D342 PolarHBondContact O-N 3.43Å; D342-Q344 HydrophobicContact CB-CG 4.47Å; D342-Q344 PolarHBondContact O-N 2.82Å; D342-Q344 WeakPolarHBondContact OD1-CB 3.37Å; D342-Q344 PolarHBondContact OD1-N 2.74Å |
| 343 | A | 94.7 | Very high | 89.8 | Confident | 13 Ų | 13 | 26.6 Ų | 26.6 | 11% | 0.107 | 16% | 0.16 | C | C | . | . | S | Bend | trans | 59.8 | 22.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | P23 T24 G340 E341 M363 | P23-A343 HydrophobicContact CB-CB 3.97Å; T24-A343 WeakPolarHBondContact O-CA 3.42Å; T24-A343 WeakPolarHBondContact O-CB 3.32Å; G340-A343 PolarHBondContact O-N 2.78Å; E341-A343 PolarHBondContact O-N 2.83Å; A343-M363 HydrophobicContact CB-CE 4.3Å |
| 344 | Q | 94.4 | Very high | 88.3 | Confident | 45 Ų | 45 | 31.4 Ų | 31.4 | 21% | 0.21 | 18% | 0.181 | C | C | . | . | trans | -106 | 138 | 178.3 | -58.5 | -162 | 14.1 | 0 | 0 | 111.7 | L26 H320 G339 D342 L346 | L26-Q344 VanDerWaalsContact CD1-O 3.24Å; L26-Q344 WeakPolarHBondContact CD1-O 3.49Å; H320-Q344 PolarHBondContact CE1-O 2.97Å; G339-Q344 WeakPolarHBondContact CA-O 3.23Å; D342-Q344 HydrophobicContact CB-CG 4.47Å; D342-Q344 PolarHBondContact O-N 2.82Å; D342-Q344 WeakPolarHBondContact OD1-CB 3.37Å; D342-Q344 PolarHBondContact OD1-N 2.74Å; Q344-L346 HydrophobicContact CB-CD2 4.23Å; Q344-L346 HydrophobicContact CB-CG 4.41Å | ||
| 345 | L | 96.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 123.1 | 164.3 | -173.6 | 69.2 | 0 | 0 | 0 | 106.9 | S16 S17 L26 I29 V45 Y55 L60 L337 T338 | S16-L345 CarbonylContact C-O 3.56Å; S16-L345 WeakPolarHBondContact CA-O 3.24Å; S17-L345 PolarHBondContact N-O 3.01Å; S17-L345 PolarHBondContact OG-N 2.81Å; L26-L345 HydrophobicContact CD1-CB 3.76Å; L26-L345 HydrophobicContact CD1-CD1 4.28Å; I29-L345 HydrophobicContact CD1-CD1 3.57Å; I29-L345 HydrophobicContact CG1-CD1 4.25Å; V45-L345 HydrophobicContact CG2-CD1 4.05Å; V45-L345 HydrophobicContact CG2-CD2 4.05Å; Y55-L345 HydrophobicContact CD1-CD2 3.84Å; Y55-L345 HydrophobicContact CD2-CD2 3.89Å; Y55-L345 HydrophobicContact CE1-CD2 4.1Å; Y55-L345 HydrophobicContact CE2-CD2 4.13Å; Y55-L345 HydrophobicContact CG-CD2 3.72Å; L60-L345 HydrophobicContact CD1-CG 4.49Å; L60-L345 WeakPolarHBondContact CD1-O 3.43Å; L60-L345 HydrophobicContact CD2-CD2 3.91Å; L60-L345 HydrophobicContact CD2-CG 4.36Å; L337-L345 HydrophobicContact CD1-CD1 4.11Å; L337-L345 HydrophobicContact CD1-CD2 4.36Å; L337-L345 HydrophobicContact CD1-CG 3.97Å; L337-L345 HydrophobicContact CD2-CD1 3.9Å; L337-L345 HydrophobicContact CD2-CD2 4.35Å; L337-L345 HydrophobicContact CD2-CG 4.38Å; L337-L345 HydrophobicContact CG-CD1 3.74Å; L337-L345 HydrophobicContact CG-CG 4.18Å; T338-L345 WeakPolarHBondContact O-CA 3.41Å |
| 346 | L | 96.6 | Very high | 84.2 | Confident | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 135.7 | -177.9 | -57.7 | -177.3 | 0 | 0 | 0 | 110.7 | I13 G319 L337 T338 Q344 W348 | I13-L346 HydrophobicContact CD1-CD1 4.43Å; I13-L346 HydrophobicContact CG2-CD2 4.44Å; G319-L346 VanDerWaalsContact CA-CD1 3.44Å; L337-L346 CarbonylContact C-O 3.56Å; L337-L346 WeakPolarHBondContact CA-O 3.3Å; L337-L346 WeakPolarHBondContact CD1-O 3.37Å; T338-L346 PolarHBondContact N-O 2.91Å; T338-L346 PolarHBondContact O-N 2.78Å; Q344-L346 HydrophobicContact CB-CD2 4.23Å; Q344-L346 HydrophobicContact CB-CG 4.41Å; L346-W348 HydrophobicContact CD1-CZ2 3.89Å |
| 347 | L | 95.6 | Very high | 82 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 122.8 | 172.1 | 179.3 | 67.9 | 0 | 0 | 0 | 108.8 | V14 K15 K57 L60 L337 K349 | V14-L347 HydrophobicContact CG2-CB 4.04Å; V14-L347 HydrophobicContact CG2-CD2 3.75Å; V14-L347 HydrophobicContact CG2-CG 3.63Å; V14-L347 WeakPolarHBondContact CG2-O 3.49Å; V14-L347 PolarHBondContact N-O 3.1Å; K15-L347 HydrophobicContact CB-CB 4.18Å; K15-L347 HydrophobicContact CB-CD2 4.47Å; K15-L347 PolarHBondContact N-O 3.43Å; K15-L347 PolarHBondContact O-N 3.5Å; K57-L347 WeakPolarHBondContact O-CD2 3.46Å; L60-L347 HydrophobicContact CD1-CB 3.82Å; L60-L347 HydrophobicContact CD2-CB 4.37Å; L60-L347 HydrophobicContact CG-CB 4.31Å; L337-L347 HydrophobicContact CD1-CB 4.1Å; L337-L347 HydrophobicContact CD1-CD1 4.13Å; L347-K349 HydrophobicContact CG-CG 4.36Å |
| 348 | W | 94.9 | Very high | 79.2 | Confident | 8 Ų | 8 | 53.3 Ų | 53.3 | 3% | 0.03 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 132 | 177.2 | -45.9 | 73 | 0 | 0 | 0 | 109 | L11 H12 I13 L316 S335 L336 T338 L346 | L11-W348 HydrophobicContact CB-CB 4.08Å; L11-W348 HydrophobicContact CD1-CB 4.48Å; L11-W348 HydrophobicContact CD2-CB 4.3Å; H12-W348 CarbonylContact O-C 3.49Å; H12-W348 VanDerWaalsContact O-CA 3.3Å; H12-W348 WeakPolarHBondContact O-CA 3.47Å; I13-W348 HydrophobicContact CD1-CE3 4.47Å; I13-W348 HydrophobicContact CD1-CH2 3.67Å; I13-W348 HydrophobicContact CD1-CZ2 4.15Å; I13-W348 HydrophobicContact CD1-CZ3 3.85Å; I13-W348 HydrophobicContact CG1-CD2 3.86Å; I13-W348 HydrophobicContact CG1-CE3 3.47Å; I13-W348 VanDerWaalsContact CG1-CE3 3.47Å; I13-W348 HydrophobicContact CG1-CH2 3.55Å; I13-W348 HydrophobicContact CG1-CZ2 3.93Å; I13-W348 HydrophobicContact CG1-CZ3 3.31Å; L316-W348 HydrophobicContact CB-CE3 4.38Å; L316-W348 HydrophobicContact CB-CH2 4.03Å; L316-W348 HydrophobicContact CB-CZ3 3.9Å; L316-W348 HydrophobicContact CD1-CD2 4.1Å; L316-W348 HydrophobicContact CD1-CE3 4.05Å; L316-W348 HydrophobicContact CD1-CZ3 4.4Å; L316-W348 HydrophobicContact CD2-CE3 4.43Å; L316-W348 HydrophobicContact CG-CZ3 4.5Å; S335-W348 VanDerWaalsContact CA-O 3.28Å; S335-W348 WeakPolarHBondContact CA-O 3.3Å; S335-W348 WeakPolarHBondContact CB-O 3.2Å; L336-W348 HydrophobicContact CB-CB 4.14Å; L336-W348 HydrophobicContact CB-CG 4.45Å; L336-W348 HydrophobicContact CD2-CG 4.49Å; L336-W348 PolarHBondContact N-O 3.04Å; L336-W348 VanDerWaalsContact O-CD1 3.29Å; L336-W348 PolarHBondContact O-N 3.29Å; T338-W348 PolarHBondContact OG1-NE1 2.83Å; L346-W348 HydrophobicContact CD1-CZ2 3.89Å |
| 349 | K | 92.1 | Very high | 76.4 | Confident | 39 Ų | 39 | 63.5 Ų | 63.5 | 17% | 0.17 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 150.6 | 177.2 | -72 | -161.8 | 178.4 | -158 | 0 | 111.2 | H12 V14 E58 D333 L347 | H12-K349 PolarHBondContact N-O 3.01Å; H12-K349 PolarHBondContact O-N 3.21Å; V14-K349 HydrophobicContact CG1-CB 4Å; V14-K349 HydrophobicContact CG2-CB 4.04Å; V14-K349 HydrophobicContact CG2-CD 4.25Å; V14-K349 HydrophobicContact CG2-CG 3.8Å; E58-K349 VanDerWaalsContact CD-NZ 3.28Å; E58-K349 IonicContact OE1-NZ 3.84Å; E58-K349 PolarHBondContact OE1-NZ 3.37Å; E58-K349 IonicContact OE2-NZ 3.93Å; E58-K349 PolarHBondContact OE2-NZ 3.47Å; D333-K349 WeakPolarHBondContact OD2-CE 3.39Å; D333-K349 IonicContact OD2-NZ 2.92Å; D333-K349 PolarHBondContact OD2-NZ 3.09Å; L347-K349 HydrophobicContact CG-CG 4.36Å |
| 350 | P | 87.9 | Confident | 73.9 | Confident | 56 Ų | 56 | 70.2 Ų | 70.2 | 36% | 0.364 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 144 | 174.8 | 27.4 | -34.4 | 0 | 0 | 0 | 111.1 | N10 D334 A352 | N10-P350 WeakPolarHBondContact O-CA 3.28Å; D334-P350 HydrophobicContact CB-CG 4.32Å; D334-P350 WeakPolarHBondContact O-CD 3.5Å; P350-A352 VanDerWaalsContact C-N 3.26Å; P350-A352 PolarHBondContact O-N 2.75Å |
| 351 | G | 73.8 | Confident | 71.1 | Confident | 71 Ų | 71 | 79.3 Ų | 79.3 | 73% | 0.732 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.8 | 11.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | N10 | N10-G351 PolarHBondContact O-N 3.38Š|
| 352 | A | 66.5 | Low | 68.4 | Low | 18 Ų | 18 | 81.1 Ų | 81.1 | 15% | 0.149 | 43% | 0.43 | C | S | . | . | trans | -80.4 | 140.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | H12 V14 P350 | H12-A352 HydrophobicContact CB-CB 4.09Å; H12-A352 VanDerWaalsContact CB-O 3.23Å; H12-A352 WeakPolarHBondContact CB-O 3.33Å; H12-A352 PolarHBondContact CD2-O 2.78Å; H12-A352 VanDerWaalsContact CG-O 3.23Å; V14-A352 HydrophobicContact CB-CB 4.48Å; V14-A352 HydrophobicContact CG1-CB 3.11Å; P350-A352 VanDerWaalsContact C-N 3.26Å; P350-A352 PolarHBondContact O-N 2.75Å | ||
| 353 | I | 58.9 | Low | 66 | Low | 157 Ų | 157 | 83.8 Ų | 83.8 | 81% | 0.805 | 44% | 0.443 | S | S | * | . | trans | -80.8 | 125.1 | 176.2 | -58 | 169.9 | 0 | 0 | 0 | 108.3 | K355 | I353-K355 PolarHBondContact O-N 2.91Å; I353-K355 VanDerWaalsContact O-N 3.08Å | ||
| 354 | E | 51 | Low | 63.2 | Low | 148 Ų | 148 | 92.6 Ų | 92.6 | 69% | 0.692 | 48% | 0.479 | S | S | * | . | trans | -44.7 | 113.6 | 176.3 | -105.4 | -176.1 | 168.1 | 0 | 0 | 111.3 | ||||
| 355 | K | 50.9 | Low | 60.5 | Low | 151 Ų | 151 | 96.1 Ų | 96.1 | 66% | 0.657 | 50% | 0.498 | S | S | * | . | trans | -91.3 | 115.8 | 160.1 | -74.8 | -178 | 179.4 | 175.1 | 0 | 106.9 | I353 F357 | I353-K355 PolarHBondContact O-N 2.91Å; I353-K355 VanDerWaalsContact O-N 3.08Å; K355-F357 HydrophobicContact CB-CE2 4.26Å; K355-F357 HydrophobicContact CB-CZ 4.45Å; K355-F357 WeakPolarHBondContact O-CD2 3.3Å; K355-F357 WeakPolarHBondContact O-CE2 3.42Å; K355-F357 PolarHBondContact O-N 3.45Å | ||
| 356 | T | 41.3 | Very low | 57.3 | Low | 140 Ų | 140 | 100.6 Ų | 100.6 | 86% | 0.859 | 54% | 0.535 | S | S | * | . | trans | -60.6 | 104.7 | 173.2 | 25.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 357 | F | 47.5 | Very low | 54.2 | Low | 82 Ų | 82 | 105 Ų | 105 | 36% | 0.36 | 57% | 0.566 | S | S | . | * | P | Polyproline II helix | trans | -78.5 | 129.4 | 171.3 | -68.1 | -84.5 | 0 | 0 | 0 | 108.8 | I13 S16 K355 K359 | I13-F357 HydrophobicContact CB-CD2 4.45Å; I13-F357 HydrophobicContact CB-CE2 3.89Å; I13-F357 HydrophobicContact CD1-CD2 4.5Å; I13-F357 HydrophobicContact CG2-CD2 4.07Å; I13-F357 HydrophobicContact CG2-CE2 3.38Å; I13-F357 HydrophobicContact CG2-CZ 3.97Å; S16-F357 WeakPolarHBondContact OG-CD1 3.19Å; S16-F357 WeakPolarHBondContact OG-CE1 3.43Å; K355-F357 HydrophobicContact CB-CE2 4.26Å; K355-F357 HydrophobicContact CB-CZ 4.45Å; K355-F357 WeakPolarHBondContact O-CD2 3.3Å; K355-F357 WeakPolarHBondContact O-CE2 3.42Å; K355-F357 PolarHBondContact O-N 3.45Å; F357-K359 PolarHBondContact O-N 3.47Å |
| 358 | T | 39.6 | Very low | 51.1 | Low | 126 Ų | 126 | 110.1 Ų | 110.1 | 77% | 0.773 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 119.8 | 177.6 | 45.9 | 0 | 0 | 0 | 0 | 110 | K360 | T358-K360 PolarHBondContact O-N 2.98Å; T358-K360 VanDerWaalsContact O-N 3.15Å |
| 359 | K | 38.1 | Very low | 48.3 | Very low | 213 Ų | 213 | 115.2 Ų | 115.2 | 93% | 0.926 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 117 | 172.3 | -81.1 | -179.7 | 172.3 | 179.6 | 0 | 110 | F357 | F357-K359 PolarHBondContact O-N 3.47Š|
| 360 | K | 45.8 | Very low | 45.6 | Very low | 141 Ų | 141 | 121.9 Ų | 121.9 | 61% | 0.613 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 142.1 | 165.1 | -79.3 | -175.2 | 174.6 | -178.6 | 0 | 109.1 | T358 | T358-K360 PolarHBondContact O-N 2.98Å; T358-K360 VanDerWaalsContact O-N 3.15Å |
| 361 | E | 35.7 | Very low | 42.8 | Very low | 191 Ų | 191 | 127.6 Ų | 127.6 | 89% | 0.893 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 135.1 | -175.8 | -68.3 | 178.2 | 153.1 | 0 | 0 | 111.6 | M363 | E361-M363 PolarHBondContact O-N 2.97Š|
| 362 | S | 38.8 | Very low | 40.7 | Very low | 84 Ų | 84 | 135.6 Ų | 135.6 | 59% | 0.587 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 125.2 | 178.9 | 67.2 | 0 | 0 | 0 | 0 | 110.2 | K364 | S362-K364 PolarHBondContact O-N 2.92Š|
| 363 | M | 45.8 | Very low | 39 | Very low | 73 Ų | 73 | 140.8 Ų | 140.8 | 36% | 0.36 | 72% | 0.724 | S | S | . | * | trans | -74.9 | 108 | 171.6 | -68.5 | 179.7 | -77.6 | 0 | 0 | 109.3 | P23 A343 E361 I365 | P23-M363 HydrophobicContact CB-CE 3.56Å; P23-M363 HydrophobicContact CB-SD 3.34Å; P23-M363 WeakPolarHBondContact CB-SD 3.43Å; P23-M363 HydrophobicContact CG-CE 4.15Å; P23-M363 HydrophobicContact CG-SD 3.2Å; P23-M363 WeakPolarHBondContact CG-SD 3.13Å; A343-M363 HydrophobicContact CB-CE 4.3Å; E361-M363 PolarHBondContact O-N 2.97Å; M363-I365 PolarHBondContact O-N 2.81Å | ||
| 364 | K | 35.3 | Very low | 37.5 | Very low | 198 Ų | 198 | 143.9 Ų | 143.9 | 86% | 0.861 | 73% | 0.726 | S | S | * | * | trans | -86.8 | 100.5 | 161.3 | -75 | -173.3 | 177.8 | -176.9 | 0 | 107.9 | S362 | S362-K364 PolarHBondContact O-N 2.92Š| ||
| 365 | I | 37.9 | Very low | 36.5 | Very low | 119 Ų | 119 | 142.2 Ų | 142.2 | 61% | 0.61 | 73% | 0.726 | S | S | * | * | trans | -121.3 | 128.5 | 163 | -59.6 | 176.5 | 0 | 0 | 0 | 106.6 | M363 S367 | M363-I365 PolarHBondContact O-N 2.81Å; I365-S367 PolarHBondContact O-N 2.87Å | ||
| 366 | A | 28.4 | Very low | 35.5 | Very low | 94 Ų | 94 | 142.6 Ų | 142.6 | 78% | 0.777 | 73% | 0.729 | S | S | * | * | trans | -52.2 | 128.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | S368 | A366-S368 PolarHBondContact O-N 3.05Å; A366-S368 VanDerWaalsContact O-N 3.14Å | ||
| 367 | S | 32 | Very low | 35 | Very low | 94 Ų | 94 | 140.7 Ų | 140.7 | 66% | 0.657 | 72% | 0.722 | S | S | * | * | trans | -54.5 | 118.7 | 172.4 | 60.8 | 0 | 0 | 0 | 0 | 109.2 | I365 V369 | I365-S367 PolarHBondContact O-N 2.87Å; S367-V369 PolarHBondContact O-N 2.87Å | ||
| 368 | S | 31 | Very low | 34.2 | Very low | 109 Ų | 109 | 144 Ų | 144 | 76% | 0.762 | 74% | 0.744 | S | S | * | * | trans | -74.5 | 8.2 | 165.2 | 49.6 | 0 | 0 | 0 | 0 | 112.7 | A366 H370 | A366-S368 PolarHBondContact O-N 3.05Å; A366-S368 VanDerWaalsContact O-N 3.14Å; S368-H370 PolarHBondContact O-N 3.14Å | ||
| 369 | V | 36.3 | Very low | 33.8 | Very low | 115 Ų | 115 | 145.3 Ų | 145.3 | 70% | 0.697 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | 73.1 | 163.8 | -172.3 | 0 | 0 | 0 | 0 | 107.9 | S367 | S367-V369 PolarHBondContact O-N 2.87Š|
| 370 | H | 34.9 | Very low | 33.4 | Very low | 179 Ų | 179 | 140.3 Ų | 140.3 | 83% | 0.829 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 178.9 | 46.2 | 158.7 | -98.3 | 85.8 | 0 | 0 | 0 | 109.9 | S368 | S368-H370 PolarHBondContact O-N 3.14Š|
| 371 | Q | 29.3 | Very low | 32.7 | Very low | 176 Ų | 176 | 145 Ų | 145 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | trans | -131.7 | 80.9 | 166.5 | -88.4 | -166.2 | -20.4 | 0 | 0 | 111.5 | ||||
| 372 | R | 29.9 | Very low | 32.7 | Very low | 240 Ų | 240 | 145.4 Ų | 145.4 | 91% | 0.906 | 75% | 0.752 | S | S | * | * | 178 | 75.5 | 115.3 | -92.6 | 175.9 | -173 | -171 | 4.8 | 110 | |||||
| 373 | V | 30.5 | Very low | 32.6 | Very low | 127 Ų | 127 | 152.4 Ų | 152.4 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | trans | -97.1 | 89.8 | 150.3 | 176.4 | 0 | 0 | 0 | 0 | 106.2 | V375 | V373-V375 HydrophobicContact CG1-CG2 3.66Š| ||
| 374 | R | 27.5 | Very low | 32 | Very low | 221 Ų | 221 | 161 Ų | 161 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | trans | -91.7 | 89 | 158.2 | -89.4 | -171.1 | 176.8 | 178.9 | 0.5 | 106.9 | H376 | R374-H376 PolarHBondContact O-N 2.93Å; R374-H376 VanDerWaalsContact O-N 3.08Å | ||
| 375 | V | 30.4 | Very low | 31.9 | Very low | 114 Ų | 114 | 160.3 Ų | 160.3 | 69% | 0.691 | 79% | 0.791 | S | S | * | * | trans | -64 | 105.7 | 157.9 | 177.7 | 0 | 0 | 0 | 0 | 106.3 | V373 S377 | V373-V375 HydrophobicContact CG1-CG2 3.66Å; V375-S377 PolarHBondContact O-N 3.08Å | ||
| 376 | H | 28.9 | Very low | 31.8 | Very low | 158 Ų | 158 | 163.5 Ų | 163.5 | 73% | 0.731 | 80% | 0.8 | S | S | * | * | trans | -67.7 | 88 | 160.6 | -93.8 | -66.1 | 0 | 0 | 0 | 107.8 | R374 N378 | R374-H376 PolarHBondContact O-N 2.93Å; R374-H376 VanDerWaalsContact O-N 3.08Å; H376-N378 VanDerWaalsContact C-N 3.3Å; H376-N378 PolarHBondContact O-N 3.16Å | ||
| 377 | S | 30.8 | Very low | 32.2 | Very low | 101 Ų | 101 | 171.4 Ų | 171.4 | 71% | 0.706 | 82% | 0.821 | S | S | * | * | trans | -72.7 | 90.5 | 163.7 | 65.8 | 0 | 0 | 0 | 0 | 107.9 | V375 D379 | V375-S377 PolarHBondContact O-N 3.08Å; S377-D379 PolarHBondContact O-N 3.02Å; S377-D379 VanDerWaalsContact O-N 3.16Å | ||
| 378 | N | 30.1 | Very low | 32.2 | Very low | 152 Ų | 152 | 175.3 Ų | 175.3 | 81% | 0.813 | 83% | 0.829 | S | S | * | * | trans | -75 | 96.8 | 165.8 | -99.5 | -12.7 | 0 | 0 | 0 | 108.4 | H376 | H376-N378 VanDerWaalsContact C-N 3.3Å; H376-N378 PolarHBondContact O-N 3.16Å | ||
| 379 | D | 31.9 | Very low | 32.2 | Very low | 153 Ų | 153 | 178.7 Ų | 178.7 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | trans | -137.1 | 95.7 | 165 | -136 | -6.5 | 0 | 0 | 0 | 109.9 | S377 | S377-D379 PolarHBondContact O-N 3.02Å; S377-D379 VanDerWaalsContact O-N 3.16Å | ||
| 380 | S | 30.9 | Very low | 32 | Very low | 108 Ų | 108 | 182.3 Ų | 182.3 | 76% | 0.755 | 84% | 0.84 | S | S | * | * | trans | -153.3 | 54.2 | 165 | 60.8 | 0 | 0 | 0 | 0 | 113.2 | K382 | S380-K382 VanDerWaalsContact C-N 3.27Å; S380-K382 PolarHBondContact O-N 3.09Å; S380-K382 VanDerWaalsContact O-N 3.09Å | ||
| 381 | Y | 30.2 | Very low | 31.8 | Very low | 239 Ų | 239 | 182.5 Ų | 182.5 | 94% | 0.937 | 84% | 0.841 | S | S | * | * | trans | -79.4 | 77.9 | 156.9 | -101.2 | -85.6 | 0 | 0 | 0 | 110.3 | R383 | Y381-R383 PolarHBondContact O-N 3.28Š| ||
| 382 | K | 36.2 | Very low | 32 | Very low | 200 Ų | 200 | 182.9 Ų | 182.9 | 87% | 0.87 | 84% | 0.842 | S | S | * | * | trans | -88.8 | 100.4 | 163.5 | -82.9 | -171.5 | 180 | 176.4 | 0 | 110.3 | S380 R384 | S380-K382 VanDerWaalsContact C-N 3.27Å; S380-K382 PolarHBondContact O-N 3.09Å; S380-K382 VanDerWaalsContact O-N 3.09Å; K382-R384 PolarHBondContact O-N 3.46Å | ||
| 383 | R | 35.2 | Very low | 32.1 | Very low | 230 Ų | 230 | 179.1 Ų | 179.1 | 87% | 0.868 | 84% | 0.838 | S | S | * | * | trans | -38.3 | 119.3 | 155.2 | -100.8 | 174.3 | 164.6 | 173.8 | -1.4 | 111 | Y381 | Y381-R383 PolarHBondContact O-N 3.28Š| ||
| 384 | R | 34.7 | Very low | 32.2 | Very low | 254 Ų | 254 | 182.8 Ų | 182.8 | 96% | 0.958 | 84% | 0.843 | S | S | * | * | trans | -111.2 | 100.4 | 153.9 | -99.6 | -176.9 | 167.5 | -179.7 | -2.8 | 109 | K382 | K382-R384 PolarHBondContact O-N 3.46Š| ||
| 385 | K | 33.7 | Very low | 32.6 | Very low | 184 Ų | 184 | 179.8 Ų | 179.8 | 80% | 0.8 | 84% | 0.844 | S | S | * | * | trans | -73.5 | 130.5 | 152 | -88.8 | 179.9 | 169.6 | 179.8 | 0 | 107.5 | ||||
| 386 | K | 35.5 | Very low | 32.8 | Very low | 185 Ų | 185 | 185.3 Ų | 185.3 | 80% | 0.804 | 86% | 0.856 | S | S | * | * | 173 | 135.9 | 111.1 | -98.7 | -176.7 | 176.8 | -177.5 | 0 | 111.7 | |||||
| 387 | Q | 35.4 | Very low | 33.1 | Very low | 260 Ų | 260 | 187.8 Ų | 187.8 | 100% | 1.215 | 87% | 0.868 | S | S | * | * | trans | 70.4 | 0 | 151.5 | -75.8 | 176.8 | -32.1 | 0 | 0 | 118.4 |
Retrieved 387 of 387 residues in 2398.4 ms
(Link to these results)