| 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 | 20.1 | Very low | 29.5 | Very low | 250 Ų | 250 | 85.5 Ų | 85.5 | 100% | 1.232 | 56% | 0.558 | S | S | * | * | 0 | 21.9 | 0 | -68.8 | -159.2 | 173.7 | 0 | 0 | 114 | A3 | M1-A3 VanDerWaalsContact C-N 3.33Å; M1-A3 PolarHBondContact O-N 2.88Å | |||
| 2 | A | 24.8 | Very low | 30.5 | Very low | 91 Ų | 91 | 85.2 Ų | 85.2 | 75% | 0.752 | 55% | 0.553 | S | S | * | * | trans | -97.2 | 42.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 3 | A | 25.6 | Very low | 31.7 | Very low | 83 Ų | 83 | 83.5 Ų | 83.5 | 69% | 0.686 | 54% | 0.536 | S | S | * | . | trans | -75.7 | -24.6 | -173 | 0 | 0 | 0 | 0 | 0 | 113.2 | M1 | M1-A3 VanDerWaalsContact C-N 3.33Å; M1-A3 PolarHBondContact O-N 2.88Å | ||
| 4 | D | 23.3 | Very low | 32.9 | Very low | 162 Ų | 162 | 84.4 Ų | 84.4 | 87% | 0.866 | 53% | 0.53 | S | S | * | . | trans | -103.2 | 77.1 | 174.3 | -74.5 | -32.4 | 0 | 0 | 0 | 111.2 | G6 | D4-G6 PolarHBondContact O-N 3.11Š| ||
| 5 | G | 24.8 | Very low | 34.7 | Very low | 60 Ų | 60 | 85.5 Ų | 85.5 | 62% | 0.619 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | 30.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | G7 S9 | G5-G7 PolarHBondContact O-N 3.37Å; G5-S9 PolarHBondContact O-OG 3.39Å |
| 6 | G | 24.6 | Very low | 37 | Very low | 43 Ų | 43 | 80.6 Ų | 80.6 | 44% | 0.443 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -10.5 | -177 | 0 | 0 | 0 | 0 | 0 | 115.4 | D4 T10 | D4-G6 PolarHBondContact O-N 3.11Å; G6-T10 WeakPolarHBondContact O-CG2 3.27Å |
| 7 | G | 29.3 | Very low | 39.6 | Very low | 24 Ų | 24 | 76.2 Ų | 76.2 | 25% | 0.247 | 47% | 0.468 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -50.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | G5 T10 A438 | G5-G7 PolarHBondContact O-N 3.37Å; G7-T10 PolarHBondContact O-OG1 3.32Å; G7-A438 WeakPolarHBondContact O-CB 3.23Å |
| 8 | M | 31.3 | Very low | 42 | Very low | 110 Ų | 110 | 74.8 Ų | 74.8 | 54% | 0.542 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -22 | -171.9 | -129.9 | -176 | -179.2 | 0 | 0 | 113.7 | T10 T12 | M8-T10 VanDerWaalsContact C-N 3.34Å; M8-T12 WeakPolarHBondContact O-CG2 3.47Å; M8-T12 PolarHBondContact O-OG1 3.26Å |
| 9 | S | 37.4 | Very low | 44.3 | Very low | 65 Ų | 65 | 71.1 Ų | 71.1 | 46% | 0.455 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -18.7 | -177 | 55.9 | 0 | 0 | 0 | 0 | 113.8 | G5 T12 | G5-S9 PolarHBondContact O-OG 3.39Å; S9-T12 WeakPolarHBondContact CA-OG1 3.47Å; S9-T12 PolarHBondContact O-OG1 2.98Å |
| 10 | T | 42 | Very low | 46.3 | Very low | 36 Ų | 36 | 69.3 Ų | 69.3 | 22% | 0.221 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -34.8 | -176.8 | 48 | 0 | 0 | 0 | 0 | 113.3 | G6 G7 M8 F422 | G6-T10 WeakPolarHBondContact O-CG2 3.27Å; G7-T10 PolarHBondContact O-OG1 3.32Å; M8-T10 VanDerWaalsContact C-N 3.34Å; T10-F422 WeakPolarHBondContact OG1-CE2 3.3Å |
| 11 | F | 40.9 | Very low | 48.2 | Very low | 17 Ų | 17 | 67 Ų | 67 | 8% | 0.075 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -22.2 | 177.7 | -88.6 | -75.1 | 0 | 0 | 0 | 115 | D13 A392 W396 A418 F422 V442 | F11-D13 PolarHBondContact O-N 3.43Å; F11-A392 HydrophobicContact CZ-CB 4.24Å; F11-W396 HydrophobicContact CD1-CB 4.16Å; F11-W396 AromaticContact CD1-CD2 3.8Å; F11-W396 HydrophobicContact CD1-CD2 3.8Å; F11-W396 HydrophobicContact CD1-CE3 4.11Å; F11-W396 AromaticContact CD1-CG 3.82Å; F11-W396 HydrophobicContact CD1-CG 3.82Å; F11-W396 HydrophobicContact CE1-CB 3.94Å; F11-W396 HydrophobicContact CE1-CD2 4.2Å; F11-W396 HydrophobicContact CE1-CE3 4.25Å; F11-W396 HydrophobicContact CE1-CG 4.08Å; F11-W396 PolarHBondContact O-NE1 2.83Å; F11-W396 VanDerWaalsContact O-NE1 3.12Å; F11-A418 HydrophobicContact CE1-CB 3.91Å; F11-A418 HydrophobicContact CZ-CB 4.12Å; F11-F422 HydrophobicContact CD2-CD2 4.14Å; F11-F422 HydrophobicContact CD2-CE2 4.21Å; F11-F422 HydrophobicContact CD2-CG 4.48Å; F11-F422 HydrophobicContact CE2-CB 3.78Å; F11-F422 HydrophobicContact CE2-CD1 4.2Å; F11-F422 AromaticContact CE2-CD2 3.39Å; F11-F422 HydrophobicContact CE2-CD2 3.39Å; F11-F422 AromaticContact CE2-CE2 3.92Å; F11-F422 HydrophobicContact CE2-CE2 3.92Å; F11-F422 AromaticContact CE2-CG 3.54Å; F11-F422 HydrophobicContact CE2-CG 3.54Å; F11-F422 HydrophobicContact CE2-CZ 4.5Å; F11-F422 HydrophobicContact CZ-CB 4.05Å; F11-F422 HydrophobicContact CZ-CD2 4.17Å; F11-F422 HydrophobicContact CZ-CG 4.28Å; F11-V442 HydrophobicContact CD1-CG2 4.18Å; F11-V442 HydrophobicContact CD2-CG2 4.34Å; F11-V442 HydrophobicContact CE1-CG2 4.47Å; F11-V442 HydrophobicContact CG-CG2 4.11Å |
| 12 | T | 41.7 | Very low | 51.5 | Low | 81 Ų | 81 | 55.2 Ų | 55.2 | 50% | 0.497 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -72.6 | -4.3 | 175.9 | 52.7 | 0 | 0 | 0 | 0 | 112.6 | M8 S9 H14 | M8-T12 WeakPolarHBondContact O-CG2 3.47Å; M8-T12 PolarHBondContact O-OG1 3.26Å; S9-T12 WeakPolarHBondContact CA-OG1 3.47Å; S9-T12 PolarHBondContact O-OG1 2.98Å; T12-H14 PolarHBondContact O-CD2 3.2Å; T12-H14 PolarHBondContact O-N 2.79Å |
| 13 | D | 46.4 | Very low | 54.6 | Low | 63 Ų | 63 | 51.6 Ų | 51.6 | 34% | 0.337 | 32% | 0.318 | S | S | . | . | trans | -75.6 | 78.2 | 177.3 | -131.4 | 13.8 | 0 | 0 | 0 | 111.2 | F11 Q15 R80 | F11-D13 PolarHBondContact O-N 3.43Å; D13-Q15 PolarHBondContact O-N 2.78Å; D13-Q15 VanDerWaalsContact O-N 3.09Å; D13-R80 VanDerWaalsContact CG-CZ 3.41Å; D13-R80 VanDerWaalsContact CG-NH1 3.34Å; D13-R80 IonicContact OD1-CZ 2.71Å; D13-R80 IonicContact OD1-NH1 3.67Å; D13-R80 PolarHBondContact OD1-NH1 3.41Å; D13-R80 IonicContact OD1-NH2 3.12Å; D13-R80 PolarHBondContact OD1-NH2 2.83Å; D13-R80 IonicContact OD2-CZ 3.58Å; D13-R80 IonicContact OD2-NE 3.65Å; D13-R80 IonicContact OD2-NH1 3.42Å; D13-R80 PolarHBondContact OD2-NH1 3.33Å; D13-R80 VanDerWaalsContact OD2-NH1 3.17Å; D13-R80 IonicContact OD2-NH2 3.79Å; D13-R80 PolarHBondContact OD2-NH2 3Å | ||
| 14 | H | 48.3 | Very low | 57.7 | Low | 96 Ų | 96 | 47.7 Ų | 47.7 | 44% | 0.444 | 29% | 0.286 | S | S | . | . | trans | -69.3 | 2.5 | -176.8 | -67.7 | -60.9 | 0 | 0 | 0 | 114.8 | T12 W16 | T12-H14 PolarHBondContact O-CD2 3.2Å; T12-H14 PolarHBondContact O-N 2.79Å; H14-W16 WeakPolarHBondContact O-CZ3 3.42Å; H14-W16 PolarHBondContact O-N 3.25Å | ||
| 15 | Q | 59.5 | Low | 60.9 | Low | 101 Ų | 101 | 40 Ų | 40 | 47% | 0.472 | 25% | 0.245 | S | C | . | . | trans | -99 | 93.2 | 179.5 | -68.1 | 178.3 | -11.1 | 0 | 0 | 110.1 | D13 | D13-Q15 PolarHBondContact O-N 2.78Å; D13-Q15 VanDerWaalsContact O-N 3.09Å | ||
| 16 | W | 72.4 | Confident | 64.1 | Low | 7 Ų | 7 | 37.2 Ų | 37.2 | 3% | 0.027 | 22% | 0.216 | C | C | . | . | trans | -77.5 | 162.9 | 159.3 | 64.5 | 91 | 0 | 0 | 0 | 110.1 | H14 Q18 H356 W397 H400 L401 | H14-W16 WeakPolarHBondContact O-CZ3 3.42Å; H14-W16 PolarHBondContact O-N 3.25Å; W16-Q18 PolarHBondContact O-N 3.47Å; W16-H356 AromaticContact NE1-CD2 3.6Å; W16-W397 HydrophobicContact CB-CB 3.83Å; W16-W397 HydrophobicContact CB-CD2 3.51Å; W16-W397 HydrophobicContact CB-CE3 4.14Å; W16-W397 HydrophobicContact CB-CG 3.36Å; W16-W397 HydrophobicContact CG-CB 4.44Å; W16-W397 HydrophobicContact CG-CG 4.39Å; W16-H400 HydrophobicContact CE3-CB 4.38Å; W16-H400 HydrophobicContact CH2-CB 4.49Å; W16-H400 AromaticContact CH2-CE1 3.19Å; W16-H400 WeakPolarHBondContact CH2-CE1 3.21Å; W16-H400 AromaticContact CH2-CG 3.65Å; W16-H400 AromaticContact CH2-ND1 3.03Å; W16-H400 WeakPolarHBondContact CH2-ND1 3.29Å; W16-H400 AromaticContact CH2-NE2 3.85Å; W16-H400 AromaticContact CZ2-ND1 3.74Å; W16-H400 HydrophobicContact CZ3-CB 4.06Å; W16-H400 AromaticContact CZ3-CD2 3.75Å; W16-H400 AromaticContact CZ3-CE1 3.64Å; W16-H400 AromaticContact CZ3-CG 3.44Å; W16-H400 VanDerWaalsContact CZ3-CG 3.44Å; W16-H400 AromaticContact CZ3-ND1 3.37Å; W16-H400 WeakPolarHBondContact CZ3-ND1 3.34Å; W16-H400 AromaticContact CZ3-NE2 3.87Å; W16-L401 HydrophobicContact CZ2-CD2 4.38Å | ||
| 17 | P | 80.2 | Confident | 67.4 | Low | 7 Ų | 7 | 35.1 Ų | 35.1 | 5% | 0.045 | 20% | 0.195 | C | C | . | . | trans | -59.1 | 128.8 | -176.4 | -25.5 | 35.6 | 0 | 0 | 0 | 112.4 | E21 E349 F352 K353 W397 | P17-E21 VanDerWaalsContact CA-OE2 3.28Å; P17-E21 WeakPolarHBondContact CA-OE2 3.41Å; P17-E349 HydrophobicContact CB-CB 4.07Å; P17-E349 HydrophobicContact CB-CG 4.31Å; P17-E349 HydrophobicContact CG-CB 3.99Å; P17-E349 HydrophobicContact CG-CG 3.76Å; P17-F352 HydrophobicContact CB-CB 4.29Å; P17-F352 HydrophobicContact CG-CB 4.3Å; P17-K353 HydrophobicContact CB-CG 4.09Å; P17-W397 HydrophobicContact CG-CH2 4.12Å; P17-W397 HydrophobicContact CG-CZ3 3.98Å | ||
| 18 | Q | 83.7 | Confident | 70.4 | Confident | 51 Ų | 51 | 34.2 Ų | 34.2 | 24% | 0.238 | 18% | 0.184 | C | C | . | . | trans | -123.2 | 148.7 | -179.7 | -66 | -173.9 | 3.6 | 0 | 0 | 111.3 | W16 T20 E21 | W16-Q18 PolarHBondContact O-N 3.47Å; Q18-T20 PolarHBondContact O-N 2.82Å; Q18-T20 PolarHBondContact OE1-OG1 3.32Å; Q18-E21 HydrophobicContact CB-CG 4.08Å; Q18-E21 PolarHBondContact N-OE2 3.16Å; Q18-E21 VanDerWaalsContact N-OE2 3.12Å; Q18-E21 VanDerWaalsContact O-CB 3.28Å; Q18-E21 WeakPolarHBondContact O-CB 3.5Å; Q18-E21 VanDerWaalsContact O-CG 3.24Å; Q18-E21 WeakPolarHBondContact O-CG 3.28Å; Q18-E21 PolarHBondContact O-N 2.89Å | ||
| 19 | P | 84.8 | Confident | 73.3 | Confident | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.019 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -58 | -29.9 | 176 | -26.3 | 35.4 | 0 | 0 | 0 | 113.5 | E21 N22 C270 T273 F330 K353 | P19-E21 PolarHBondContact O-N 2.96Å; P19-N22 PolarHBondContact O-N 2.93Å; P19-C270 HydrophobicContact CB-CB 4.34Å; P19-T273 HydrophobicContact CB-CG2 3.89Å; P19-T273 HydrophobicContact CG-CG2 4.01Å; P19-F330 HydrophobicContact CG-CZ 4.44Å; P19-K353 HydrophobicContact CG-CB 4.12Å |
| 20 | T | 84.3 | Confident | 75.7 | Confident | 35 Ų | 35 | 30.1 Ų | 30.1 | 22% | 0.215 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -67.9 | -18.4 | 178.5 | 51.4 | 0 | 0 | 0 | 0 | 113.5 | Q18 N22 A23 | Q18-T20 PolarHBondContact O-N 2.82Å; Q18-T20 PolarHBondContact OE1-OG1 3.32Å; T20-N22 VanDerWaalsContact C-N 3.28Å; T20-N22 PolarHBondContact O-N 3.31Å; T20-A23 PolarHBondContact O-N 2.95Å; T20-A23 VanDerWaalsContact O-N 3.14Å |
| 21 | E | 86.3 | Confident | 77.9 | Confident | 23 Ų | 23 | 31.3 Ų | 31.3 | 11% | 0.107 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -64.7 | -34.7 | 176.8 | -58.5 | -174.1 | 127.8 | 0 | 0 | 111.6 | P17 Q18 P19 A23 S24 R73 | P17-E21 VanDerWaalsContact CA-OE2 3.28Å; P17-E21 WeakPolarHBondContact CA-OE2 3.41Å; Q18-E21 HydrophobicContact CB-CG 4.08Å; Q18-E21 PolarHBondContact N-OE2 3.16Å; Q18-E21 VanDerWaalsContact N-OE2 3.12Å; Q18-E21 VanDerWaalsContact O-CB 3.28Å; Q18-E21 WeakPolarHBondContact O-CB 3.5Å; Q18-E21 VanDerWaalsContact O-CG 3.24Å; Q18-E21 WeakPolarHBondContact O-CG 3.28Å; Q18-E21 PolarHBondContact O-N 2.89Å; P19-E21 PolarHBondContact O-N 2.96Å; E21-A23 PolarHBondContact O-N 3.05Å; E21-S24 WeakPolarHBondContact CA-OG 3.43Å; E21-S24 PolarHBondContact O-N 2.94Å; E21-S24 VanDerWaalsContact O-N 3.07Å; E21-S24 PolarHBondContact O-OG 3.46Å; E21-R73 IonicContact OE1-CZ 2.73Å; E21-R73 IonicContact OE1-NH1 3.44Å; E21-R73 PolarHBondContact OE1-NH1 2.92Å; E21-R73 IonicContact OE1-NH2 2.7Å; E21-R73 IonicContact OE2-NH1 2.77Å |
| 22 | N | 90.6 | Very high | 79.9 | Confident | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.011 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -66.3 | -18.5 | 177.2 | -65.4 | 42.4 | 0 | 0 | 0 | 112.5 | P19 T20 H91 L233 C270 K353 | P19-N22 PolarHBondContact O-N 2.93Å; T20-N22 VanDerWaalsContact C-N 3.28Å; T20-N22 PolarHBondContact O-N 3.31Å; N22-H91 PolarHBondContact OD1-CE1 3.33Å; N22-L233 HydrophobicContact CB-CD2 3.73Å; N22-C270 HydrophobicContact CB-CB 3.89Å; N22-K353 PolarHBondContact OD1-NZ 2.94Å |
| 23 | A | 89.1 | Confident | 81.1 | Confident | 14 Ų | 14 | 29.7 Ų | 29.7 | 12% | 0.116 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -101.1 | 14.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | T20 E21 L233 V274 | T20-A23 PolarHBondContact O-N 2.95Å; T20-A23 VanDerWaalsContact O-N 3.14Å; E21-A23 PolarHBondContact O-N 3.05Å; A23-L233 HydrophobicContact CB-CD1 3.99Å; A23-L233 HydrophobicContact CB-CG 3.89Å; A23-V274 HydrophobicContact CB-CG2 4.36Å |
| 24 | S | 90.3 | Very high | 81.7 | Confident | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.007 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 155.4 | -177.4 | 67.3 | 0 | 0 | 0 | 0 | 112.3 | E21 R71 R73 | E21-S24 WeakPolarHBondContact CA-OG 3.43Å; E21-S24 PolarHBondContact O-N 2.94Å; E21-S24 VanDerWaalsContact O-N 3.07Å; E21-S24 PolarHBondContact O-OG 3.46Å; S24-R71 CarbonylContact C-O 3.52Å; S24-R71 VanDerWaalsContact CA-O 3.22Å; S24-R71 WeakPolarHBondContact CA-O 3.48Å; S24-R71 VanDerWaalsContact CB-O 3.25Å; S24-R71 WeakPolarHBondContact CB-O 3.34Å; S24-R73 WeakPolarHBondContact OG-CD 3.26Å |
| 25 | I | 91.4 | Very high | 81.8 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 137.9 | 175.3 | 62.7 | 164.3 | 0 | 0 | 0 | 109.7 | L70 R71 P72 R73 L95 V172 L175 L179 M234 | I25-L70 HydrophobicContact CD1-CD2 3.7Å; I25-L70 HydrophobicContact CG1-CD2 4.45Å; I25-L70 HydrophobicContact CG2-CD2 4.48Å; I25-R71 PolarHBondContact N-O 3.46Å; I25-P72 HydrophobicContact CD1-CB 4.39Å; I25-P72 HydrophobicContact CG1-CB 4.14Å; I25-P72 CarbonylContact O-C 3.58Å; I25-R73 PolarHBondContact O-N 3.34Å; I25-L95 HydrophobicContact CB-CD1 4.28Å; I25-L95 HydrophobicContact CG2-CD1 4.18Å; I25-V172 HydrophobicContact CD1-CG1 4.26Å; I25-L175 HydrophobicContact CD1-CB 4.3Å; I25-L175 HydrophobicContact CD1-CD1 3.79Å; I25-L179 HydrophobicContact CG2-CD1 3.76Å; I25-M234 HydrophobicContact CB-CE 4.48Å; I25-M234 HydrophobicContact CG2-CB 4.3Å; I25-M234 HydrophobicContact CG2-CE 3.76Å |
| 26 | V | 91.5 | Very high | 81.3 | Confident | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.012 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 123.9 | -178.6 | 175.6 | 0 | 0 | 0 | 0 | 110 | I75 C81 H91 I94 L95 G96 | V26-I75 HydrophobicContact CG1-CD1 3.33Å; V26-I75 HydrophobicContact CG1-CG1 3.7Å; V26-C81 HydrophobicContact CG1-CB 4.49Å; V26-C81 HydrophobicContact CG2-CB 4.43Å; V26-H91 WeakPolarHBondContact CG2-O 3.45Å; V26-I94 HydrophobicContact CG1-CG1 4.28Å; V26-L95 PolarHBondContact O-N 3.24Å; V26-L95 VanDerWaalsContact O-N 3.09Å; V26-G96 PolarHBondContact O-N 3.27Å |
| 27 | V | 93.1 | Very high | 80 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 119.6 | 174.7 | -179.4 | 0 | 0 | 0 | 0 | 108.3 | V29 P72 R73 F74 I75 G96 I98 F171 L175 | V27-V29 HydrophobicContact CG1-CG2 4.5Å; V27-P72 HydrophobicContact CG2-CB 4.47Å; V27-R73 PolarHBondContact N-O 3.25Å; V27-F74 HydrophobicContact CB-CD1 3.84Å; V27-F74 HydrophobicContact CB-CE1 4.09Å; V27-F74 HydrophobicContact CG1-CD1 3.83Å; V27-F74 HydrophobicContact CG1-CE1 3.97Å; V27-F74 HydrophobicContact CG2-CE1 4.35Å; V27-F74 WeakPolarHBondContact O-CA 3.26Å; V27-I75 PolarHBondContact O-N 3.38Å; V27-G96 CarbonylContact C-O 3.57Å; V27-G96 WeakPolarHBondContact CA-O 3.48Å; V27-I98 HydrophobicContact CG1-CD1 3.83Å; V27-I98 HydrophobicContact CG1-CG1 3.88Å; V27-F171 HydrophobicContact CG1-CE1 3.82Å; V27-F171 HydrophobicContact CG1-CZ 4.29Å; V27-F171 HydrophobicContact CG2-CE1 4.19Å; V27-L175 HydrophobicContact CG2-CD1 4.16Å |
| 28 | L | 92.3 | Very high | 78.5 | Confident | 4 Ų | 4 | 35.3 Ų | 35.3 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 120.1 | 176.4 | -179.1 | 64.3 | 0 | 0 | 0 | 109.7 | I75 I76 I94 G96 F97 I98 F126 | L28-I75 WeakPolarHBondContact CA-O 3.42Å; L28-I75 HydrophobicContact CD1-CD1 4.33Å; L28-I75 HydrophobicContact CD1-CG1 4.11Å; L28-I76 WeakPolarHBondContact CD1-O 3.43Å; L28-I94 HydrophobicContact CB-CG2 3.72Å; L28-I94 HydrophobicContact CD2-CD1 4.44Å; L28-G96 PolarHBondContact N-O 3.5Å; L28-F97 HydrophobicContact CB-CD2 4.16Å; L28-F97 HydrophobicContact CD2-CD2 3.94Å; L28-F97 HydrophobicContact CD2-CE2 4.01Å; L28-F97 HydrophobicContact CG-CD2 4.12Å; L28-F97 HydrophobicContact CG-CE2 4.29Å; L28-F97 CarbonylContact O-C 3.6Å; L28-F97 WeakPolarHBondContact O-CA 3.41Å; L28-I98 PolarHBondContact O-N 3.22Å; L28-F126 HydrophobicContact CD2-CD2 3.84Å; L28-F126 HydrophobicContact CD2-CE2 3.35Å; L28-F126 HydrophobicContact CD2-CZ 3.74Å |
| 29 | V | 92.6 | Very high | 76.9 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 119.6 | 176.3 | -171.4 | 0 | 0 | 0 | 0 | 108.3 | V27 F47 L51 L54 F74 I75 I76 I98 V100 | V27-V29 HydrophobicContact CG1-CG2 4.5Å; V29-F47 HydrophobicContact CG1-CE2 3.89Å; V29-F47 HydrophobicContact CG1-CZ 4.04Å; V29-L51 HydrophobicContact CB-CD1 4.38Å; V29-L54 HydrophobicContact CG1-CD1 4.09Å; V29-L54 HydrophobicContact CG2-CD1 3.98Å; V29-F74 HydrophobicContact CG2-CB 3.92Å; V29-F74 HydrophobicContact CG2-CD1 3.79Å; V29-F74 HydrophobicContact CG2-CG 4.33Å; V29-I75 PolarHBondContact N-O 2.88Å; V29-I76 WeakPolarHBondContact O-CA 3.3Å; V29-I98 CarbonylContact C-O 3.57Å; V29-I98 WeakPolarHBondContact CA-O 3.41Å; V29-I98 HydrophobicContact CG1-CB 4.48Å; V29-I98 HydrophobicContact CG2-CB 4.38Å; V29-V100 HydrophobicContact CG1-CG2 3.94Å |
| 30 | K | 88.5 | Confident | 75.6 | Confident | 89 Ų | 89 | 43.6 Ų | 43.6 | 39% | 0.387 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 129.6 | -175.7 | -164.5 | -179.9 | 178 | -173.6 | 0 | 110.6 | L32 F97 I98 V100 A122 | K30-L32 PolarHBondContact O-N 3.22Å; K30-F97 HydrophobicContact CB-CE2 4Å; K30-F97 HydrophobicContact CB-CZ 3.99Å; K30-F97 HydrophobicContact CD-CE2 4.35Å; K30-F97 HydrophobicContact CD-CZ 4.34Å; K30-I98 PolarHBondContact N-O 3.35Å; K30-V100 PolarHBondContact O-N 2.8Å; K30-A122 HydrophobicContact CD-CB 4.16Å |
| 31 | P | 87.4 | Confident | 74.5 | Confident | 61 Ų | 61 | 47.2 Ų | 47.2 | 40% | 0.396 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 131.2 | 168.6 | 29.1 | -29.9 | 0 | 0 | 0 | 108.8 | F47 V100 | P31-F47 HydrophobicContact CB-CD2 3.75Å; P31-F47 HydrophobicContact CB-CE2 3.88Å; P31-F47 HydrophobicContact CB-CG 4.1Å; P31-F47 HydrophobicContact CB-CZ 4.36Å; P31-F47 HydrophobicContact CG-CD2 4.41Å; P31-F47 HydrophobicContact CG-CE1 4.35Å; P31-F47 HydrophobicContact CG-CE2 4.2Å; P31-F47 HydrophobicContact CG-CZ 4.18Å; P31-V100 CarbonylContact C-O 3.43Å; P31-V100 WeakPolarHBondContact CA-O 3.25Å |
| 32 | L | 83 | Confident | 73.6 | Confident | 11 Ų | 11 | 51.3 Ų | 51.3 | 6% | 0.058 | 30% | 0.301 | C | S | . | . | trans | -101.4 | 131.9 | 171.5 | -55.9 | 179.3 | 0 | 0 | 0 | 107.6 | K30 V100 A101 W115 F119 A122 L135 | K30-L32 PolarHBondContact O-N 3.22Å; L32-V100 PolarHBondContact N-O 2.83Å; L32-A101 HydrophobicContact CB-CB 4.17Å; L32-W115 HydrophobicContact CB-CE3 4.21Å; L32-W115 HydrophobicContact CB-CZ3 4.11Å; L32-W115 WeakPolarHBondContact O-CZ3 3.13Å; L32-F119 HydrophobicContact CD1-CB 3.8Å; L32-F119 HydrophobicContact CD1-CD2 4.27Å; L32-A122 HydrophobicContact CD2-CB 3.81Å; L32-L135 HydrophobicContact CD1-CD1 3.5Å | ||
| 33 | A | 68.5 | Low | 72.7 | Confident | 53 Ų | 53 | 52.4 Ų | 52.4 | 44% | 0.438 | 31% | 0.309 | S | S | . | . | trans | -144.8 | 144.4 | -169.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | S38 | A33-S38 VanDerWaalsContact CB-CB 3.42Š| ||
| 34 | F | 58.9 | Low | 71.9 | Confident | 54 Ų | 54 | 59 Ų | 59 | 24% | 0.237 | 33% | 0.331 | C | S | . | . | trans | -121.7 | 133.1 | 177.5 | -80 | -64.7 | 0 | 0 | 0 | 113.1 | S38 V110 R114 W115 C118 | F34-S38 VanDerWaalsContact O-CB 3.31Å; F34-S38 WeakPolarHBondContact O-CB 3.48Å; F34-V110 HydrophobicContact CD2-CG1 3.69Å; F34-V110 HydrophobicContact CE2-CG1 3.91Å; F34-V110 HydrophobicContact CG-CG1 4.4Å; F34-R114 HydrophobicContact CE1-CB 4.4Å; F34-R114 HydrophobicContact CE1-CG 3.73Å; F34-R114 HydrophobicContact CE2-CB 4.07Å; F34-R114 HydrophobicContact CE2-CG 4.29Å; F34-R114 VanDerWaalsContact CZ-C 3.48Å; F34-R114 HydrophobicContact CZ-CB 3.75Å; F34-R114 HydrophobicContact CZ-CG 3.57Å; F34-R114 VanDerWaalsContact CZ-O 3.3Å; F34-R114 WeakPolarHBondContact CZ-O 3.06Å; F34-W115 AromaticContact CD2-CD2 3.73Å; F34-W115 HydrophobicContact CD2-CD2 3.73Å; F34-W115 AromaticContact CD2-CE2 3.74Å; F34-W115 AromaticContact CD2-CE3 3.54Å; F34-W115 HydrophobicContact CD2-CE3 3.54Å; F34-W115 AromaticContact CD2-CH2 3.44Å; F34-W115 HydrophobicContact CD2-CH2 3.44Å; F34-W115 VanDerWaalsContact CD2-CH2 3.44Å; F34-W115 AromaticContact CD2-CZ2 3.64Å; F34-W115 HydrophobicContact CD2-CZ2 3.64Å; F34-W115 AromaticContact CD2-CZ3 3.35Å; F34-W115 HydrophobicContact CD2-CZ3 3.35Å; F34-W115 HydrophobicContact CE2-CB 4.48Å; F34-W115 AromaticContact CE2-CD2 3.39Å; F34-W115 HydrophobicContact CE2-CD2 3.39Å; F34-W115 AromaticContact CE2-CE2 3.85Å; F34-W115 AromaticContact CE2-CE3 3.25Å; F34-W115 HydrophobicContact CE2-CE3 3.25Å; F34-W115 AromaticContact CE2-CG 3.93Å; F34-W115 HydrophobicContact CE2-CG 3.93Å; F34-W115 HydrophobicContact CE2-CH2 4.08Å; F34-W115 HydrophobicContact CE2-CZ2 4.2Å; F34-W115 AromaticContact CE2-CZ3 3.59Å; F34-W115 HydrophobicContact CE2-CZ3 3.59Å; F34-W115 HydrophobicContact CG-CH2 4.37Å; F34-W115 HydrophobicContact CG-CZ3 4.36Å; F34-W115 HydrophobicContact CZ-CE3 4.32Å; F34-C118 HydrophobicContact CE1-CB 4.33Å; F34-C118 HydrophobicContact CZ-CB 3.76Å | ||
| 35 | G | 49.4 | Very low | 71.3 | Confident | 60 Ų | 60 | 62.8 Ų | 62.8 | 62% | 0.619 | 35% | 0.35 | S | S | * | . | S | Bend | trans | 70.8 | 172.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | D37 S38 | G35-D37 PolarHBondContact O-N 3.27Å; G35-S38 VanDerWaalsContact O-CB 3.31Å; G35-S38 WeakPolarHBondContact O-CB 3.35Å; G35-S38 PolarHBondContact O-N 3.18Å; G35-S38 VanDerWaalsContact O-N 3.16Å; G35-S38 PolarHBondContact O-OG 3.08Å |
| 36 | A | 48.6 | Very low | 70.8 | Confident | 101 Ų | 101 | 63 Ų | 63 | 84% | 0.835 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -62.3 | -26.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113 | S38 | A36-S38 PolarHBondContact O-N 3.2Š|
| 37 | D | 45.1 | Very low | 70.5 | Confident | 142 Ų | 142 | 63.5 Ų | 63.5 | 76% | 0.759 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -75 | -1.8 | 178.3 | -63.2 | -31.8 | 0 | 0 | 0 | 113.9 | G35 Q39 T40 | G35-D37 PolarHBondContact O-N 3.27Å; D37-Q39 VanDerWaalsContact C-N 3.31Å; D37-Q39 PolarHBondContact O-N 3.41Å; D37-T40 WeakPolarHBondContact O-CG2 3.38Å; D37-T40 PolarHBondContact O-N 3.5Å |
| 38 | S | 48.4 | Very low | 70 | Confident | 35 Ų | 35 | 66.9 Ų | 66.9 | 25% | 0.245 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -77.7 | -9.9 | -176.5 | 59.7 | 0 | 0 | 0 | 0 | 115.7 | A33 F34 G35 A36 T40 S43 | A33-S38 VanDerWaalsContact CB-CB 3.42Å; F34-S38 VanDerWaalsContact O-CB 3.31Å; F34-S38 WeakPolarHBondContact O-CB 3.48Å; G35-S38 VanDerWaalsContact O-CB 3.31Å; G35-S38 WeakPolarHBondContact O-CB 3.35Å; G35-S38 PolarHBondContact O-N 3.18Å; G35-S38 VanDerWaalsContact O-N 3.16Å; G35-S38 PolarHBondContact O-OG 3.08Å; A36-S38 PolarHBondContact O-N 3.2Å; S38-T40 VanDerWaalsContact C-N 3.28Å; S38-T40 PolarHBondContact O-N 3.47Å; S38-S43 PolarHBondContact O-OG 3.18Å; S38-S43 VanDerWaalsContact O-OG 3.1Å |
| 39 | Q | 50.3 | Low | 69.6 | Low | 167 Ų | 167 | 73.2 Ų | 73.2 | 78% | 0.78 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -93.4 | 33.1 | 170.7 | -68.3 | -168.2 | -2.6 | 0 | 0 | 112.5 | D37 D41 | D37-Q39 VanDerWaalsContact C-N 3.31Å; D37-Q39 PolarHBondContact O-N 3.41Å; Q39-D41 PolarHBondContact O-N 3.37Å |
| 40 | T | 57.2 | Low | 69.3 | Low | 62 Ų | 62 | 73.3 Ų | 73.3 | 38% | 0.38 | 40% | 0.395 | S | S | . | . | trans | -61.6 | 137.4 | 166.6 | 46.1 | 0 | 0 | 0 | 0 | 109.5 | D37 S38 Y42 S43 R44 | D37-T40 WeakPolarHBondContact O-CG2 3.38Å; D37-T40 PolarHBondContact O-N 3.5Å; S38-T40 VanDerWaalsContact C-N 3.28Å; S38-T40 PolarHBondContact O-N 3.47Å; T40-Y42 PolarHBondContact O-N 3.09Å; T40-S43 PolarHBondContact O-N 3.36Å; T40-S43 PolarHBondContact O-OG 3.05Å; T40-S43 VanDerWaalsContact O-OG 3.05Å; T40-R44 PolarHBondContact O-N 3.31Å | ||
| 41 | D | 61.1 | Low | 69.2 | Low | 110 Ų | 110 | 69.1 Ų | 69.1 | 59% | 0.588 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -54.9 | -27.7 | 175.7 | -80.8 | -42.1 | 0 | 0 | 0 | 111.7 | Q39 I45 | Q39-D41 PolarHBondContact O-N 3.37Å; D41-I45 HydrophobicContact CB-CD1 4.22Å; D41-I45 VanDerWaalsContact O-CB 3.29Å; D41-I45 WeakPolarHBondContact O-CB 3.33Å; D41-I45 VanDerWaalsContact O-CD1 3.3Å; D41-I45 WeakPolarHBondContact O-CD1 3.35Å; D41-I45 WeakPolarHBondContact O-CG1 3.27Å; D41-I45 PolarHBondContact O-N 2.83Å |
| 42 | Y | 68.3 | Low | 68.9 | Low | 109 Ų | 109 | 71.1 Ų | 71.1 | 43% | 0.427 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -56.4 | -56.6 | 174.6 | -178.6 | -98.8 | 0 | 0 | 0 | 113.1 | T40 R44 I45 N46 D139 | T40-Y42 PolarHBondContact O-N 3.09Å; Y42-R44 VanDerWaalsContact C-N 3.3Å; Y42-R44 PolarHBondContact O-N 2.84Å; Y42-I45 PolarHBondContact O-N 2.82Å; Y42-N46 WeakPolarHBondContact CD2-ND2 3.48Å; Y42-N46 WeakPolarHBondContact CE1-ND2 3.42Å; Y42-N46 WeakPolarHBondContact CE2-ND2 3.25Å; Y42-N46 WeakPolarHBondContact O-CB 3.44Å; Y42-N46 VanDerWaalsContact O-CG 3.26Å; Y42-N46 PolarHBondContact O-N 3.38Å; Y42-N46 PolarHBondContact O-ND2 3.25Å; Y42-D139 PolarHBondContact OH-OD2 2.92Å |
| 43 | S | 70.7 | Confident | 69 | Low | 26 Ų | 26 | 73.9 Ų | 73.9 | 18% | 0.182 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.7 | -39.8 | -177 | 66.2 | 0 | 0 | 0 | 0 | 111.2 | S38 T40 F47 F102 | S38-S43 PolarHBondContact O-OG 3.18Å; S38-S43 VanDerWaalsContact O-OG 3.1Å; T40-S43 PolarHBondContact O-N 3.36Å; T40-S43 PolarHBondContact O-OG 3.05Å; T40-S43 VanDerWaalsContact O-OG 3.05Å; S43-F47 VanDerWaalsContact O-CB 3.28Å; S43-F47 WeakPolarHBondContact O-CB 3.46Å; S43-F47 PolarHBondContact O-N 2.93Å; S43-F102 WeakPolarHBondContact O-CE2 3.25Å |
| 44 | R | 72.4 | Confident | 69.9 | Low | 153 Ų | 153 | 71.5 Ų | 71.5 | 58% | 0.577 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -67.9 | -45.8 | 179.3 | -163.9 | 175.7 | 86 | 170.5 | 3.2 | 112.6 | T40 Y42 N46 N48 | T40-R44 PolarHBondContact O-N 3.31Å; Y42-R44 VanDerWaalsContact C-N 3.3Å; Y42-R44 PolarHBondContact O-N 2.84Å; R44-N46 VanDerWaalsContact C-N 3.32Å; R44-N48 PolarHBondContact O-N 2.96Å; R44-N48 VanDerWaalsContact O-N 3.08Å; R44-N48 PolarHBondContact O-ND2 2.95Å |
| 45 | I | 77.6 | Confident | 71.2 | Confident | 80 Ų | 80 | 74 Ų | 74 | 41% | 0.41 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.7 | -44.6 | 177.9 | -70.9 | 164.9 | 0 | 0 | 0 | 109.9 | D41 Y42 N48 R49 | D41-I45 HydrophobicContact CB-CD1 4.22Å; D41-I45 VanDerWaalsContact O-CB 3.29Å; D41-I45 WeakPolarHBondContact O-CB 3.33Å; D41-I45 VanDerWaalsContact O-CD1 3.3Å; D41-I45 WeakPolarHBondContact O-CD1 3.35Å; D41-I45 WeakPolarHBondContact O-CG1 3.27Å; D41-I45 PolarHBondContact O-N 2.83Å; Y42-I45 PolarHBondContact O-N 2.82Å; I45-N48 PolarHBondContact O-N 2.75Å; I45-R49 WeakPolarHBondContact O-CG 3.38Å; I45-R49 PolarHBondContact O-N 3.38Å |
| 46 | N | 81.2 | Confident | 72.9 | Confident | 5 Ų | 5 | 74.4 Ų | 74.4 | 3% | 0.027 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -70.6 | -39.1 | -178.5 | -70.8 | -22.9 | 0 | 0 | 0 | 112.9 | Y42 R44 N48 R49 I50 F102 L158 | Y42-N46 WeakPolarHBondContact CD2-ND2 3.48Å; Y42-N46 WeakPolarHBondContact CE1-ND2 3.42Å; Y42-N46 WeakPolarHBondContact CE2-ND2 3.25Å; Y42-N46 WeakPolarHBondContact O-CB 3.44Å; Y42-N46 VanDerWaalsContact O-CG 3.26Å; Y42-N46 PolarHBondContact O-N 3.38Å; Y42-N46 PolarHBondContact O-ND2 3.25Å; R44-N46 VanDerWaalsContact C-N 3.32Å; N46-N48 VanDerWaalsContact C-N 3.32Å; N46-N48 PolarHBondContact O-N 3.12Å; N46-R49 WeakPolarHBondContact O-CB 3.21Å; N46-R49 PolarHBondContact O-N 3.49Å; N46-I50 WeakPolarHBondContact O-CG1 3.37Å; N46-I50 PolarHBondContact O-N 3.01Å; N46-F102 HydrophobicContact CB-CD1 4.32Å; N46-F102 HydrophobicContact CB-CE1 3.58Å; N46-F102 HydrophobicContact CB-CE2 4.36Å; N46-F102 HydrophobicContact CB-CZ 3.58Å; N46-L158 HydrophobicContact CB-CD1 3.85Å; N46-L158 HydrophobicContact CB-CD2 3.91Å; N46-L158 HydrophobicContact CB-CG 4.48Å; N46-L158 WeakPolarHBondContact OD1-CD2 3.43Å |
| 47 | F | 86.1 | Confident | 74.5 | Confident | 12 Ų | 12 | 70.5 Ų | 70.5 | 5% | 0.053 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58 | -45.7 | 171.9 | 178.5 | -98.9 | 0 | 0 | 0 | 111.5 | V29 P31 S43 R49 I50 L51 I76 V100 F102 | V29-F47 HydrophobicContact CG1-CE2 3.89Å; V29-F47 HydrophobicContact CG1-CZ 4.04Å; P31-F47 HydrophobicContact CB-CD2 3.75Å; P31-F47 HydrophobicContact CB-CE2 3.88Å; P31-F47 HydrophobicContact CB-CG 4.1Å; P31-F47 HydrophobicContact CB-CZ 4.36Å; P31-F47 HydrophobicContact CG-CD2 4.41Å; P31-F47 HydrophobicContact CG-CE1 4.35Å; P31-F47 HydrophobicContact CG-CE2 4.2Å; P31-F47 HydrophobicContact CG-CZ 4.18Å; S43-F47 VanDerWaalsContact O-CB 3.28Å; S43-F47 WeakPolarHBondContact O-CB 3.46Å; S43-F47 PolarHBondContact O-N 2.93Å; F47-R49 VanDerWaalsContact C-N 3.34Å; F47-R49 PolarHBondContact O-N 3.14Å; F47-I50 PolarHBondContact O-N 3.14Å; F47-L51 HydrophobicContact CE1-CB 4.49Å; F47-L51 HydrophobicContact CE1-CD2 4.21Å; F47-L51 WeakPolarHBondContact O-CB 3.13Å; F47-L51 PolarHBondContact O-N 3.06Å; F47-I76 HydrophobicContact CE1-CD1 4.34Å; F47-I76 HydrophobicContact CE1-CG2 4.31Å; F47-I76 HydrophobicContact CZ-CG2 4.32Å; F47-V100 HydrophobicContact CD2-CB 3.99Å; F47-V100 HydrophobicContact CD2-CG1 4.14Å; F47-V100 HydrophobicContact CD2-CG2 4.41Å; F47-V100 HydrophobicContact CE2-CB 4.09Å; F47-V100 HydrophobicContact CE2-CG2 4.18Å; F47-F102 HydrophobicContact CB-CE2 4.08Å; F47-F102 HydrophobicContact CB-CZ 4.35Å |
| 48 | N | 83.3 | Confident | 75.9 | Confident | 70 Ų | 70 | 65.2 Ų | 65.2 | 37% | 0.374 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.7 | -40 | 177.7 | -73.3 | -27.6 | 0 | 0 | 0 | 112 | R44 I45 N46 I50 L51 D52 | R44-N48 PolarHBondContact O-N 2.96Å; R44-N48 VanDerWaalsContact O-N 3.08Å; R44-N48 PolarHBondContact O-ND2 2.95Å; I45-N48 PolarHBondContact O-N 2.75Å; N46-N48 VanDerWaalsContact C-N 3.32Å; N46-N48 PolarHBondContact O-N 3.12Å; N48-I50 PolarHBondContact O-N 3.39Å; N48-L51 PolarHBondContact O-N 3.3Å; N48-D52 WeakPolarHBondContact O-CB 3.15Å; N48-D52 VanDerWaalsContact O-CG 3.3Å; N48-D52 PolarHBondContact O-N 3.35Å |
| 49 | R | 83.6 | Confident | 77.6 | Confident | 138 Ų | 138 | 66 Ų | 66 | 52% | 0.521 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.3 | -43.9 | 174.1 | -72.7 | 173 | 175.5 | 179 | -2.8 | 112.4 | I45 N46 F47 R53 | I45-R49 WeakPolarHBondContact O-CG 3.38Å; I45-R49 PolarHBondContact O-N 3.38Å; N46-R49 WeakPolarHBondContact O-CB 3.21Å; N46-R49 PolarHBondContact O-N 3.49Å; F47-R49 VanDerWaalsContact C-N 3.34Å; F47-R49 PolarHBondContact O-N 3.14Å; R49-R53 WeakPolarHBondContact O-CB 3.24Å; R49-R53 PolarHBondContact O-N 3.01Å; R49-R53 VanDerWaalsContact O-N 3.09Å |
| 50 | I | 84.8 | Confident | 79.3 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.3 | -46.1 | 175.5 | -69.5 | 166.7 | 0 | 0 | 0 | 110.2 | N46 F47 N48 D52 R53 L54 V100 F102 F138 Y161 L164 | N46-I50 WeakPolarHBondContact O-CG1 3.37Å; N46-I50 PolarHBondContact O-N 3.01Å; F47-I50 PolarHBondContact O-N 3.14Å; N48-I50 PolarHBondContact O-N 3.39Å; I50-D52 PolarHBondContact O-N 3.02Å; I50-R53 CarbonylContact O-C 3.57Å; I50-R53 WeakPolarHBondContact O-CA 3.22Å; I50-R53 VanDerWaalsContact O-CB 3.29Å; I50-R53 WeakPolarHBondContact O-CB 3.47Å; I50-R53 PolarHBondContact O-N 3.36Å; I50-R53 VanDerWaalsContact O-N 3.13Å; I50-L54 HydrophobicContact CG2-CD1 4.06Å; I50-L54 HydrophobicContact CG2-CG 4.24Å; I50-L54 WeakPolarHBondContact O-CG 3.01Å; I50-L54 PolarHBondContact O-N 3.19Å; I50-V100 HydrophobicContact CD1-CG1 3.84Å; I50-F102 HydrophobicContact CD1-CE1 3.86Å; I50-F102 HydrophobicContact CD1-CZ 3.72Å; I50-F138 HydrophobicContact CD1-CD1 4.46Å; I50-F138 HydrophobicContact CD1-CD2 3.85Å; I50-F138 HydrophobicContact CD1-CE1 4.04Å; I50-F138 HydrophobicContact CD1-CE2 3.37Å; I50-F138 HydrophobicContact CD1-CG 4.38Å; I50-F138 HydrophobicContact CD1-CZ 3.48Å; I50-F138 VanDerWaalsContact CD1-CZ 3.48Å; I50-F138 HydrophobicContact CG1-CE2 4.47Å; I50-F138 HydrophobicContact CG1-CZ 4.18Å; I50-Y161 HydrophobicContact CG1-CE1 4.44Å; I50-L164 HydrophobicContact CG2-CD2 3.92Å |
| 51 | L | 86.3 | Confident | 80.6 | Confident | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.7 | -44.4 | -179.7 | 179.8 | 66.9 | 0 | 0 | 0 | 112.2 | V29 F47 N48 R53 L54 R55 F74 I76 | V29-L51 HydrophobicContact CB-CD1 4.38Å; F47-L51 HydrophobicContact CE1-CB 4.49Å; F47-L51 HydrophobicContact CE1-CD2 4.21Å; F47-L51 WeakPolarHBondContact O-CB 3.13Å; F47-L51 PolarHBondContact O-N 3.06Å; N48-L51 PolarHBondContact O-N 3.3Å; L51-R53 PolarHBondContact O-N 3.36Å; L51-L54 PolarHBondContact O-N 3.14Å; L51-R55 HydrophobicContact CD1-CG 4.37Å; L51-R55 HydrophobicContact CG-CG 4.47Å; L51-R55 WeakPolarHBondContact O-CB 3.37Å; L51-R55 VanDerWaalsContact O-CG 3.26Å; L51-R55 WeakPolarHBondContact O-CG 3.18Å; L51-R55 PolarHBondContact O-N 3.18Å; L51-F74 HydrophobicContact CD1-CB 4.47Å; L51-I76 HydrophobicContact CD1-CG1 4.24Å; L51-I76 HydrophobicContact CD2-CD1 3.27Å; L51-I76 HydrophobicContact CD2-CG1 3.56Å |
| 52 | D | 82.5 | Confident | 81.7 | Confident | 102 Ų | 102 | 53.6 Ų | 53.6 | 55% | 0.545 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62 | -36.9 | 175.7 | -72.6 | -22.2 | 0 | 0 | 0 | 111 | N48 I50 R55 S56 | N48-D52 WeakPolarHBondContact O-CB 3.15Å; N48-D52 VanDerWaalsContact O-CG 3.3Å; N48-D52 PolarHBondContact O-N 3.35Å; I50-D52 PolarHBondContact O-N 3.02Å; D52-R55 PolarHBondContact O-N 2.95Å; D52-S56 PolarHBondContact O-N 3.49Å |
| 53 | R | 84.6 | Confident | 82.2 | Confident | 70 Ų | 70 | 49.5 Ų | 49.5 | 26% | 0.264 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65 | -48.7 | 173.7 | -162.7 | 116.7 | -179.1 | -173.9 | 4.8 | 112.2 | R49 I50 L51 R55 S56 Y161 E165 | R49-R53 WeakPolarHBondContact O-CB 3.24Å; R49-R53 PolarHBondContact O-N 3.01Å; R49-R53 VanDerWaalsContact O-N 3.09Å; I50-R53 CarbonylContact O-C 3.57Å; I50-R53 WeakPolarHBondContact O-CA 3.22Å; I50-R53 VanDerWaalsContact O-CB 3.29Å; I50-R53 WeakPolarHBondContact O-CB 3.47Å; I50-R53 PolarHBondContact O-N 3.36Å; I50-R53 VanDerWaalsContact O-N 3.13Å; L51-R53 PolarHBondContact O-N 3.36Å; R53-R55 VanDerWaalsContact C-N 3.33Å; R53-R55 PolarHBondContact O-N 2.75Å; R53-S56 WeakPolarHBondContact O-CB 3.33Å; R53-S56 PolarHBondContact O-N 3.38Å; R53-S56 VanDerWaalsContact O-N 3.11Å; R53-S56 PolarHBondContact O-OG 2.85Å; R53-Y161 VanDerWaalsContact CD-CD1 3.47Å; R53-Y161 HydrophobicContact CG-CD1 4.13Å; R53-Y161 VanDerWaalsContact CZ-CG 3.49Å; R53-E165 IonicContact CZ-OE1 2.68Å; R53-E165 VanDerWaalsContact CZ-OE1 3.24Å; R53-E165 IonicContact NE-OE1 2.8Å; R53-E165 PolarHBondContact NE-OE1 3.01Å; R53-E165 IonicContact NH2-OE1 3.65Å; R53-E165 PolarHBondContact NH2-OE1 3.11Å |
| 54 | L | 87.7 | Confident | 82.2 | Confident | 3 Ų | 3 | 56.5 Ų | 56.5 | 2% | 0.016 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.9 | -44.7 | 175.2 | -66.3 | 176.6 | 0 | 0 | 0 | 111 | V29 I50 L51 S56 M57 F74 V168 | V29-L54 HydrophobicContact CG1-CD1 4.09Å; V29-L54 HydrophobicContact CG2-CD1 3.98Å; I50-L54 HydrophobicContact CG2-CD1 4.06Å; I50-L54 HydrophobicContact CG2-CG 4.24Å; I50-L54 WeakPolarHBondContact O-CG 3.01Å; I50-L54 PolarHBondContact O-N 3.19Å; L51-L54 PolarHBondContact O-N 3.14Å; L54-S56 PolarHBondContact O-N 2.82Å; L54-M57 HydrophobicContact CD2-SD 4.32Å; L54-M57 VanDerWaalsContact O-CB 3.29Å; L54-M57 WeakPolarHBondContact O-CB 3.37Å; L54-M57 PolarHBondContact O-N 3.07Å; L54-F74 VanDerWaalsContact C-CD2 3.46Å; L54-F74 HydrophobicContact CB-CB 4.25Å; L54-F74 HydrophobicContact CB-CD1 4.06Å; L54-F74 HydrophobicContact CB-CD2 3.84Å; L54-F74 HydrophobicContact CB-CE1 4.36Å; L54-F74 HydrophobicContact CB-CE2 4.16Å; L54-F74 HydrophobicContact CB-CG 3.78Å; L54-F74 HydrophobicContact CB-CZ 4.4Å; L54-F74 HydrophobicContact CD1-CD1 4.25Å; L54-F74 HydrophobicContact CD2-CE1 4.38Å; L54-F74 HydrophobicContact CD2-CZ 4.49Å; L54-F74 WeakPolarHBondContact O-CD2 3.49Å; L54-F74 WeakPolarHBondContact O-CE2 3.41Å; L54-V168 HydrophobicContact CD2-CB 4.36Å; L54-V168 HydrophobicContact CD2-CG1 4.05Å; L54-V168 HydrophobicContact CD2-CG2 3.68Å |
| 55 | R | 86.8 | Confident | 81.7 | Confident | 107 Ų | 107 | 56.4 Ų | 56.4 | 40% | 0.404 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.2 | -24.7 | 176.7 | -74.7 | 173.3 | 171.9 | 173.4 | -3.5 | 113.5 | L51 D52 R53 M57 F74 | L51-R55 HydrophobicContact CD1-CG 4.37Å; L51-R55 HydrophobicContact CG-CG 4.47Å; L51-R55 WeakPolarHBondContact O-CB 3.37Å; L51-R55 VanDerWaalsContact O-CG 3.26Å; L51-R55 WeakPolarHBondContact O-CG 3.18Å; L51-R55 PolarHBondContact O-N 3.18Å; D52-R55 PolarHBondContact O-N 2.95Å; R53-R55 VanDerWaalsContact C-N 3.33Å; R53-R55 PolarHBondContact O-N 2.75Å; R55-M57 VanDerWaalsContact C-N 3.25Å; R55-M57 PolarHBondContact O-N 3.2Å; R55-F74 HydrophobicContact CG-CB 4.33Å |
| 56 | S | 83.8 | Confident | 81.1 | Confident | 68 Ų | 68 | 55.6 Ų | 55.6 | 48% | 0.476 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -71.1 | -19.4 | 172.4 | 80.5 | 0 | 0 | 0 | 0 | 113.2 | D52 R53 L54 G58 | D52-S56 PolarHBondContact O-N 3.49Å; R53-S56 WeakPolarHBondContact O-CB 3.33Å; R53-S56 PolarHBondContact O-N 3.38Å; R53-S56 VanDerWaalsContact O-N 3.11Å; R53-S56 PolarHBondContact O-OG 2.85Å; L54-S56 PolarHBondContact O-N 2.82Å; S56-G58 VanDerWaalsContact C-N 3.25Å; S56-G58 PolarHBondContact O-N 2.89Å |
| 57 | M | 82.8 | Confident | 80.8 | Confident | 19 Ų | 19 | 59.9 Ų | 59.9 | 9% | 0.094 | 32% | 0.322 | C | S | . | . | trans | -79.4 | 67.8 | 175.2 | -56.1 | 175.5 | 73.1 | 0 | 0 | 111.2 | L54 R55 C59 I60 F74 E165 V168 K169 | L54-M57 HydrophobicContact CD2-SD 4.32Å; L54-M57 VanDerWaalsContact O-CB 3.29Å; L54-M57 WeakPolarHBondContact O-CB 3.37Å; L54-M57 PolarHBondContact O-N 3.07Å; R55-M57 VanDerWaalsContact C-N 3.25Å; R55-M57 PolarHBondContact O-N 3.2Å; M57-C59 PolarHBondContact O-N 3.48Å; M57-I60 HydrophobicContact CE-CD1 3.75Å; M57-I60 HydrophobicContact CE-CG1 4.35Å; M57-F74 HydrophobicContact CB-CE2 4.34Å; M57-E165 HydrophobicContact CE-CB 4.3Å; M57-E165 WeakPolarHBondContact CE-O 3.28Å; M57-E165 HydrophobicContact SD-CB 4.44Å; M57-E165 HydrophobicContact SD-CG 4.12Å; M57-V168 HydrophobicContact CE-CB 4.22Å; M57-V168 HydrophobicContact CE-CG1 3.92Å; M57-V168 HydrophobicContact SD-CB 4.33Å; M57-V168 HydrophobicContact SD-CG1 3.91Å; M57-K169 HydrophobicContact CE-CG 3.88Å | ||
| 58 | G | 75.4 | Confident | 80.6 | Confident | 30 Ų | 30 | 61.4 Ų | 61.4 | 31% | 0.309 | 33% | 0.327 | S | S | . | . | trans | -70.8 | -26.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | S56 R71 | S56-G58 VanDerWaalsContact C-N 3.25Å; S56-G58 PolarHBondContact O-N 2.89Å; G58-R71 WeakPolarHBondContact O-CG 3.46Å | ||
| 59 | C | 82.6 | Confident | 80.7 | Confident | 51 Ų | 51 | 62.3 Ų | 62.3 | 35% | 0.345 | 33% | 0.331 | S | S | . | . | trans | -145 | 134 | 177.4 | -73.6 | 0 | 0 | 0 | 0 | 110.2 | M57 L70 | M57-C59 PolarHBondContact O-N 3.48Å; C59-L70 CarbonylContact C-O 3.46Å; C59-L70 WeakPolarHBondContact CA-O 3.11Å | ||
| 60 | I | 86.2 | Confident | 80.9 | Confident | 7 Ų | 7 | 55.8 Ų | 55.8 | 4% | 0.036 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 127.4 | -179.7 | -62.7 | 179.5 | 0 | 0 | 0 | 108.8 | M57 V62 L69 L70 P72 K169 V172 | M57-I60 HydrophobicContact CE-CD1 3.75Å; M57-I60 HydrophobicContact CE-CG1 4.35Å; I60-V62 HydrophobicContact CG2-CG1 4.14Å; I60-V62 PolarHBondContact O-N 3.49Å; I60-L69 WeakPolarHBondContact O-CA 3.25Å; I60-L70 PolarHBondContact N-O 3.32Å; I60-L70 PolarHBondContact O-N 3.04Å; I60-P72 HydrophobicContact CD1-CG 3.82Å; I60-P72 HydrophobicContact CG1-CG 4.24Å; I60-K169 HydrophobicContact CD1-CG 4.33Å; I60-K169 HydrophobicContact CG2-CB 4.21Å; I60-K169 HydrophobicContact CG2-CG 3.93Å; I60-V172 HydrophobicContact CB-CG1 4.28Å; I60-V172 HydrophobicContact CD1-CB 3.93Å; I60-V172 HydrophobicContact CD1-CG1 4.07Å; I60-V172 HydrophobicContact CD1-CG2 3.82Å; I60-V172 HydrophobicContact CG2-CG1 4.32Å |
| 61 | S | 84.9 | Confident | 81 | Confident | 61 Ų | 61 | 58.7 Ų | 58.7 | 43% | 0.427 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 120.7 | 169.9 | -170.2 | 0 | 0 | 0 | 0 | 109.5 | R68 | S61-R68 WeakPolarHBondContact CA-O 3.48Å |
| 62 | V | 84.5 | Confident | 81.2 | Confident | 11 Ų | 11 | 59 Ų | 59 | 7% | 0.067 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | -21.8 | -176.4 | -66.5 | 0 | 0 | 0 | 0 | 113.2 | I60 R68 L70 V172 K173 F176 | I60-V62 HydrophobicContact CG2-CG1 4.14Å; I60-V62 PolarHBondContact O-N 3.49Å; V62-R68 HydrophobicContact CG2-CB 3.8Å; V62-R68 WeakPolarHBondContact CG2-O 3.17Å; V62-R68 PolarHBondContact N-O 2.87Å; V62-L70 HydrophobicContact CG1-CB 4.08Å; V62-L70 HydrophobicContact CG1-CD2 4.47Å; V62-L70 HydrophobicContact CG2-CD1 4.12Å; V62-V172 HydrophobicContact CG1-CG1 4.13Å; V62-K173 HydrophobicContact CB-CG 4.08Å; V62-K173 HydrophobicContact CG1-CG 3.98Å; V62-F176 HydrophobicContact CB-CB 4.13Å; V62-F176 HydrophobicContact CB-CD1 4.04Å; V62-F176 HydrophobicContact CB-CG 3.97Å; V62-F176 HydrophobicContact CG1-CB 4.21Å; V62-F176 HydrophobicContact CG2-CB 4.1Å; V62-F176 HydrophobicContact CG2-CD1 3.8Å; V62-F176 HydrophobicContact CG2-CD2 3.61Å; V62-F176 HydrophobicContact CG2-CE1 4.09Å; V62-F176 HydrophobicContact CG2-CE2 3.88Å; V62-F176 HydrophobicContact CG2-CG 3.54Å; V62-F176 HydrophobicContact CG2-CZ 4.12Å |
| 63 | S | 77.6 | Confident | 81.6 | Confident | 24 Ų | 24 | 56 Ų | 56 | 17% | 0.168 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 142.5 | 173.5 | 178.9 | 0 | 0 | 0 | 0 | 108.4 | N65 P66 P67 R68 | S63-N65 PolarHBondContact OG-N 2.9Å; S63-P66 PolarHBondContact OG-O 2.94Å; S63-P67 CarbonylContact O-C 3.57Å; S63-P67 VanDerWaalsContact O-CA 3.23Å; S63-P67 WeakPolarHBondContact O-CA 3.28Å; S63-R68 PolarHBondContact O-N 3.49Å |
| 64 | E | 71.8 | Confident | 81.9 | Confident | 172 Ų | 172 | 53.1 Ų | 53.1 | 80% | 0.804 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.6 | -25 | 175.6 | -63.3 | -164.7 | 165.6 | 0 | 0 | 112.6 | P66 P67 | E64-P66 VanDerWaalsContact C-C 3.5Å; E64-P66 CarbonylContact O-C 3.28Å; E64-P67 VanDerWaalsContact O-CD 3.28Å; E64-P67 WeakPolarHBondContact O-CD 3.47Å; E64-P67 VanDerWaalsContact O-N 3.13Å |
| 65 | N | 62.8 | Low | 81.9 | Confident | 152 Ų | 152 | 53.2 Ų | 53.2 | 81% | 0.813 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -138.1 | 100 | -174.4 | -157.3 | 0.7 | 0 | 0 | 0 | 113 | S63 | S63-N65 PolarHBondContact OG-N 2.9Š|
| 66 | P | 65 | Low | 81.8 | Confident | 63 Ų | 63 | 50.3 Ų | 50.3 | 41% | 0.409 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -68.4 | 154.7 | -11.1 | 29.4 | -36.6 | 0 | 0 | 0 | 111.9 | S63 E64 R68 | S63-P66 PolarHBondContact OG-O 2.94Å; E64-P66 VanDerWaalsContact C-C 3.5Å; E64-P66 CarbonylContact O-C 3.28Å; P66-R68 VanDerWaalsContact CG-CZ 3.42Å; P66-R68 PolarHBondContact O-N 3.2Å |
| 67 | P | 73.9 | Confident | 81.7 | Confident | 95 Ų | 95 | 53.4 Ų | 53.4 | 62% | 0.617 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61 | 130.4 | -179.4 | 22.6 | -31.4 | 0 | 0 | 0 | 110.9 | S63 E64 | S63-P67 CarbonylContact O-C 3.57Å; S63-P67 VanDerWaalsContact O-CA 3.23Å; S63-P67 WeakPolarHBondContact O-CA 3.28Å; E64-P67 VanDerWaalsContact O-CD 3.28Å; E64-P67 WeakPolarHBondContact O-CD 3.47Å; E64-P67 VanDerWaalsContact O-N 3.13Å |
| 68 | R | 82.2 | Confident | 81.5 | Confident | 44 Ų | 44 | 54.2 Ų | 54.2 | 17% | 0.166 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 128.6 | 178.9 | -66.5 | -69.7 | -173.4 | -93 | -5.7 | 110.2 | S61 V62 S63 P66 F176 | S61-R68 WeakPolarHBondContact CA-O 3.48Å; V62-R68 HydrophobicContact CG2-CB 3.8Å; V62-R68 WeakPolarHBondContact CG2-O 3.17Å; V62-R68 PolarHBondContact N-O 2.87Å; S63-R68 PolarHBondContact O-N 3.49Å; P66-R68 VanDerWaalsContact CG-CZ 3.42Å; P66-R68 PolarHBondContact O-N 3.2Å; R68-F176 HydrophobicContact CB-CE2 4.24Å; R68-F176 HydrophobicContact CB-CZ 4.23Å; R68-F176 HydrophobicContact CG-CE2 4.29Å; R68-F176 HydrophobicContact CG-CZ 4.04Å |
| 69 | L | 84.2 | Confident | 81.5 | Confident | 89 Ų | 89 | 61.5 Ų | 61.5 | 47% | 0.466 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 124.9 | 176.1 | -66.5 | 170.4 | 0 | 0 | 0 | 109.1 | I60 | I60-L69 WeakPolarHBondContact O-CA 3.25Å |
| 70 | L | 87.9 | Confident | 80.9 | Confident | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 143 | 171.1 | -119.6 | 69.7 | 0 | 0 | 0 | 110.4 | I25 C59 I60 V62 P72 V172 F176 | I25-L70 HydrophobicContact CD1-CD2 3.7Å; I25-L70 HydrophobicContact CG1-CD2 4.45Å; I25-L70 HydrophobicContact CG2-CD2 4.48Å; C59-L70 CarbonylContact C-O 3.46Å; C59-L70 WeakPolarHBondContact CA-O 3.11Å; I60-L70 PolarHBondContact N-O 3.32Å; I60-L70 PolarHBondContact O-N 3.04Å; V62-L70 HydrophobicContact CG1-CB 4.08Å; V62-L70 HydrophobicContact CG1-CD2 4.47Å; V62-L70 HydrophobicContact CG2-CD1 4.12Å; L70-P72 VanDerWaalsContact O-CD 3.29Å; L70-P72 WeakPolarHBondContact O-CD 3.39Å; L70-V172 HydrophobicContact CB-CG1 4.1Å; L70-V172 HydrophobicContact CD2-CG1 3.81Å; L70-F176 HydrophobicContact CD1-CB 4.4Å; L70-F176 HydrophobicContact CD1-CD2 3.51Å; L70-F176 HydrophobicContact CD1-CE2 4.22Å; L70-F176 HydrophobicContact CD1-CG 4.34Å; L70-F176 HydrophobicContact CD2-CB 3.87Å; L70-F176 HydrophobicContact CD2-CD2 4.49Å |
| 71 | R | 88.6 | Confident | 80.3 | Confident | 62 Ų | 62 | 62.7 Ų | 62.7 | 23% | 0.234 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 93.9 | 176.7 | 175.8 | 167.5 | -80.3 | 147.5 | -11.4 | 110.1 | S24 I25 G58 | S24-R71 CarbonylContact C-O 3.52Å; S24-R71 VanDerWaalsContact CA-O 3.22Å; S24-R71 WeakPolarHBondContact CA-O 3.48Å; S24-R71 VanDerWaalsContact CB-O 3.25Å; S24-R71 WeakPolarHBondContact CB-O 3.34Å; I25-R71 PolarHBondContact N-O 3.46Å; G58-R71 WeakPolarHBondContact O-CG 3.46Å |
| 72 | P | 90.5 | Very high | 80.2 | Confident | 8 Ų | 8 | 62.5 Ų | 62.5 | 5% | 0.052 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 138.8 | 173.6 | 31.6 | -34.2 | 0 | 0 | 0 | 111.7 | I25 V27 I60 L70 F74 V172 | I25-P72 HydrophobicContact CD1-CB 4.39Å; I25-P72 HydrophobicContact CG1-CB 4.14Å; I25-P72 CarbonylContact O-C 3.58Å; V27-P72 HydrophobicContact CG2-CB 4.47Å; I60-P72 HydrophobicContact CD1-CG 3.82Å; I60-P72 HydrophobicContact CG1-CG 4.24Å; L70-P72 VanDerWaalsContact O-CD 3.29Å; L70-P72 WeakPolarHBondContact O-CD 3.39Å; P72-F74 HydrophobicContact CB-CE1 4.48Å; P72-F74 HydrophobicContact CB-CE2 3.79Å; P72-F74 HydrophobicContact CB-CZ 3.78Å; P72-F74 HydrophobicContact CG-CE2 3.71Å; P72-F74 HydrophobicContact CG-CZ 3.91Å; P72-V172 HydrophobicContact CB-CG2 4.2Å; P72-V172 HydrophobicContact CG-CG2 4.38Å |
| 73 | R | 90 | Very high | 80 | Confident | 39 Ų | 39 | 64.4 Ų | 64.4 | 15% | 0.147 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 104.4 | 172.1 | -81.2 | 178.4 | 58.1 | 156.5 | 0.7 | 109.9 | E21 S24 I25 V27 I75 | E21-R73 IonicContact OE1-CZ 2.73Å; E21-R73 IonicContact OE1-NH1 3.44Å; E21-R73 PolarHBondContact OE1-NH1 2.92Å; E21-R73 IonicContact OE1-NH2 2.7Å; E21-R73 IonicContact OE2-NH1 2.77Å; S24-R73 WeakPolarHBondContact OG-CD 3.26Å; I25-R73 PolarHBondContact O-N 3.34Å; V27-R73 PolarHBondContact N-O 3.25Å; R73-I75 PolarHBondContact O-N 3.01Å |
| 74 | F | 90.9 | Very high | 80.2 | Confident | 10 Ų | 10 | 66.2 Ų | 66.2 | 4% | 0.044 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 109.2 | 177 | -57 | -80.6 | 0 | 0 | 0 | 110.9 | V27 V29 L51 L54 R55 M57 P72 I98 V168 | V27-F74 HydrophobicContact CB-CD1 3.84Å; V27-F74 HydrophobicContact CB-CE1 4.09Å; V27-F74 HydrophobicContact CG1-CD1 3.83Å; V27-F74 HydrophobicContact CG1-CE1 3.97Å; V27-F74 HydrophobicContact CG2-CE1 4.35Å; V27-F74 WeakPolarHBondContact O-CA 3.26Å; V29-F74 HydrophobicContact CG2-CB 3.92Å; V29-F74 HydrophobicContact CG2-CD1 3.79Å; V29-F74 HydrophobicContact CG2-CG 4.33Å; L51-F74 HydrophobicContact CD1-CB 4.47Å; L54-F74 VanDerWaalsContact C-CD2 3.46Å; L54-F74 HydrophobicContact CB-CB 4.25Å; L54-F74 HydrophobicContact CB-CD1 4.06Å; L54-F74 HydrophobicContact CB-CD2 3.84Å; L54-F74 HydrophobicContact CB-CE1 4.36Å; L54-F74 HydrophobicContact CB-CE2 4.16Å; L54-F74 HydrophobicContact CB-CG 3.78Å; L54-F74 HydrophobicContact CB-CZ 4.4Å; L54-F74 HydrophobicContact CD1-CD1 4.25Å; L54-F74 HydrophobicContact CD2-CE1 4.38Å; L54-F74 HydrophobicContact CD2-CZ 4.49Å; L54-F74 WeakPolarHBondContact O-CD2 3.49Å; L54-F74 WeakPolarHBondContact O-CE2 3.41Å; R55-F74 HydrophobicContact CG-CB 4.33Å; M57-F74 HydrophobicContact CB-CE2 4.34Å; P72-F74 HydrophobicContact CB-CE1 4.48Å; P72-F74 HydrophobicContact CB-CE2 3.79Å; P72-F74 HydrophobicContact CB-CZ 3.78Å; P72-F74 HydrophobicContact CG-CE2 3.71Å; P72-F74 HydrophobicContact CG-CZ 3.91Å; F74-I98 HydrophobicContact CD1-CD1 4.38Å; F74-I98 HydrophobicContact CE1-CD1 3.99Å; F74-V168 HydrophobicContact CE1-CG1 4.13Å; F74-V168 HydrophobicContact CZ-CG1 3.8Å |
| 75 | I | 87.1 | Confident | 80.9 | Confident | 4 Ų | 4 | 59.9 Ų | 59.9 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 154.3 | -179.5 | 64.1 | 162.6 | 0 | 0 | 0 | 110.9 | V26 V27 L28 V29 R73 | V26-I75 HydrophobicContact CG1-CD1 3.33Å; V26-I75 HydrophobicContact CG1-CG1 3.7Å; V27-I75 PolarHBondContact O-N 3.38Å; L28-I75 WeakPolarHBondContact CA-O 3.42Å; L28-I75 HydrophobicContact CD1-CD1 4.33Å; L28-I75 HydrophobicContact CD1-CG1 4.11Å; V29-I75 PolarHBondContact N-O 2.88Å; R73-I75 PolarHBondContact O-N 3.01Å |
| 76 | I | 85.8 | Confident | 82 | Confident | 47 Ų | 47 | 52.7 Ų | 52.7 | 24% | 0.241 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -103 | -31.3 | 175.9 | -36.5 | 170 | 0 | 0 | 0 | 111.5 | L28 V29 F47 L51 | L28-I76 WeakPolarHBondContact CD1-O 3.43Å; V29-I76 WeakPolarHBondContact O-CA 3.3Å; F47-I76 HydrophobicContact CE1-CD1 4.34Å; F47-I76 HydrophobicContact CE1-CG2 4.31Å; F47-I76 HydrophobicContact CZ-CG2 4.32Å; L51-I76 HydrophobicContact CD1-CG1 4.24Å; L51-I76 HydrophobicContact CD2-CD1 3.27Å; L51-I76 HydrophobicContact CD2-CG1 3.56Å |
| 77 | H | 81.7 | Confident | 83.1 | Confident | 132 Ų | 132 | 53.4 Ų | 53.4 | 61% | 0.611 | 26% | 0.264 | S | S | * | . | trans | -115.6 | 118.5 | -176 | -66 | -51.8 | 0 | 0 | 0 | 111.3 | K79 R80 | H77-K79 VanDerWaalsContact C-N 3.29Å; H77-K79 PolarHBondContact O-N 3.35Å; H77-R80 VanDerWaalsContact O-CB 3.27Å; H77-R80 WeakPolarHBondContact O-CB 3.05Å; H77-R80 PolarHBondContact O-N 3.26Å | ||
| 78 | P | 78 | Confident | 83.9 | Confident | 36 Ų | 36 | 48.9 Ų | 48.9 | 23% | 0.234 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -65.5 | -31.5 | -175.2 | 27.4 | -36.4 | 0 | 0 | 0 | 112.5 | R80 C81 P83 I94 F126 | P78-R80 PolarHBondContact O-N 2.72Å; P78-C81 PolarHBondContact O-N 3.32Å; P78-C81 VanDerWaalsContact O-N 3.14Å; P78-P83 WeakPolarHBondContact O-CD 3.08Å; P78-I94 HydrophobicContact CB-CD1 3.53Å; P78-F126 HydrophobicContact CB-CE1 3.84Å; P78-F126 HydrophobicContact CB-CZ 3.93Å; P78-F126 HydrophobicContact CG-CE1 4.23Å; P78-F126 HydrophobicContact CG-CZ 3.9Å |
| 79 | K | 75.1 | Confident | 84.4 | Confident | 184 Ų | 184 | 46.8 Ų | 46.8 | 80% | 0.8 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -54.1 | -27.1 | 178.1 | -69.3 | -173.9 | 178.7 | 179.6 | 0 | 112.7 | H77 C81 R82 | H77-K79 VanDerWaalsContact C-N 3.29Å; H77-K79 PolarHBondContact O-N 3.35Å; K79-C81 VanDerWaalsContact C-N 3.32Å; K79-C81 PolarHBondContact O-N 2.82Å; K79-R82 PolarHBondContact O-N 3.47Å |
| 80 | R | 69.6 | Low | 84.8 | Confident | 75 Ų | 75 | 42.6 Ų | 42.6 | 28% | 0.283 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -62.9 | -33.5 | -178.8 | -168.5 | 174.8 | 178.2 | 152.5 | 2.9 | 113.7 | D13 H77 P78 | D13-R80 VanDerWaalsContact CG-CZ 3.41Å; D13-R80 VanDerWaalsContact CG-NH1 3.34Å; D13-R80 IonicContact OD1-CZ 2.71Å; D13-R80 IonicContact OD1-NH1 3.67Å; D13-R80 PolarHBondContact OD1-NH1 3.41Å; D13-R80 IonicContact OD1-NH2 3.12Å; D13-R80 PolarHBondContact OD1-NH2 2.83Å; D13-R80 IonicContact OD2-CZ 3.58Å; D13-R80 IonicContact OD2-NE 3.65Å; D13-R80 IonicContact OD2-NH1 3.42Å; D13-R80 PolarHBondContact OD2-NH1 3.33Å; D13-R80 VanDerWaalsContact OD2-NH1 3.17Å; D13-R80 IonicContact OD2-NH2 3.79Å; D13-R80 PolarHBondContact OD2-NH2 3Å; H77-R80 VanDerWaalsContact O-CB 3.27Å; H77-R80 WeakPolarHBondContact O-CB 3.05Å; H77-R80 PolarHBondContact O-N 3.26Å; P78-R80 PolarHBondContact O-N 2.72Å |
| 81 | C | 74.6 | Confident | 84.9 | Confident | 8 Ų | 8 | 43 Ų | 43 | 5% | 0.054 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -91.2 | -8 | 179.5 | -68.3 | 0 | 0 | 0 | 0 | 113.1 | V26 P78 K79 R92 | V26-C81 HydrophobicContact CG1-CB 4.49Å; V26-C81 HydrophobicContact CG2-CB 4.43Å; P78-C81 PolarHBondContact O-N 3.32Å; P78-C81 VanDerWaalsContact O-N 3.14Å; K79-C81 VanDerWaalsContact C-N 3.32Å; K79-C81 PolarHBondContact O-N 2.82Å; C81-R92 VanDerWaalsContact O-CB 3.32Å; C81-R92 WeakPolarHBondContact O-CB 3.45Å; C81-R92 WeakPolarHBondContact O-CD 3.41Å; C81-R92 WeakPolarHBondContact O-CG 3.44Å |
| 82 | R | 81.7 | Confident | 85.1 | Confident | 57 Ų | 57 | 40.4 Ų | 40.4 | 22% | 0.215 | 20% | 0.197 | C | C | . | . | trans | 50.5 | 63.5 | -173 | -58 | -177.2 | 167.5 | 96 | 1.5 | 111.9 | K79 A84 W85 E349 E390 | K79-R82 PolarHBondContact O-N 3.47Å; R82-A84 PolarHBondContact O-N 2.88Å; R82-W85 PolarHBondContact O-N 3.47Å; R82-E349 IonicContact CZ-OE1 3.22Å; R82-E349 IonicContact NH1-OE1 2.75Å; R82-E349 PolarHBondContact NH1-OE1 2.76Å; R82-E390 IonicContact NH2-OE1 2.74Å | ||
| 83 | P | 80.8 | Confident | 85.1 | Confident | 50 Ų | 50 | 40.8 Ų | 40.8 | 33% | 0.325 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -59.5 | -20.1 | -172.4 | 22.7 | -34.3 | 0 | 0 | 0 | 114.2 | P78 W85 G86 I94 | P78-P83 WeakPolarHBondContact O-CD 3.08Å; P83-W85 PolarHBondContact O-N 3.33Å; P83-G86 WeakPolarHBondContact O-CA 3.07Å; P83-G86 PolarHBondContact O-N 3.16Å; P83-I94 HydrophobicContact CB-CD1 4.46Å |
| 84 | A | 81.1 | Confident | 85.2 | Confident | 62 Ų | 62 | 38.9 Ų | 38.9 | 51% | 0.512 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | -57.8 | -26.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | R82 G86 P200 | R82-A84 PolarHBondContact O-N 2.88Å; A84-G86 VanDerWaalsContact C-N 3.33Å; A84-P200 WeakPolarHBondContact O-CD 3.45Å |
| 85 | W | 86.9 | Confident | 85.2 | Confident | 39 Ų | 39 | 38.5 Ų | 38.5 | 15% | 0.148 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -92.5 | 7.8 | 174.6 | -63.8 | 96.8 | 0 | 0 | 0 | 112.9 | R82 P83 E87 L88 Q89 V199 L259 F342 L346 | R82-W85 PolarHBondContact O-N 3.47Å; P83-W85 PolarHBondContact O-N 3.33Å; W85-E87 VanDerWaalsContact C-N 3.27Å; W85-E87 PolarHBondContact O-N 3.09Å; W85-L88 HydrophobicContact CE3-CB 4.37Å; W85-L88 HydrophobicContact CE3-CD2 3.67Å; W85-L88 HydrophobicContact CZ3-CD2 3.92Å; W85-L88 WeakPolarHBondContact O-CB 3.27Å; W85-L88 PolarHBondContact O-N 3.44Å; W85-L88 VanDerWaalsContact O-N 3.08Å; W85-Q89 PolarHBondContact O-N 3.17Å; W85-V199 HydrophobicContact CD2-CG1 4.39Å; W85-V199 HydrophobicContact CE3-CG1 3.56Å; W85-V199 HydrophobicContact CZ3-CG1 3.73Å; W85-L259 HydrophobicContact CZ3-CD1 4.11Å; W85-L259 HydrophobicContact CZ3-CD2 4.22Å; W85-F342 AromaticContact CH2-CD2 3.58Å; W85-F342 HydrophobicContact CH2-CD2 3.58Å; W85-F342 AromaticContact CH2-CE2 3.57Å; W85-F342 HydrophobicContact CH2-CE2 3.57Å; W85-F342 HydrophobicContact CZ2-CD2 4.3Å; W85-F342 HydrophobicContact CZ3-CD2 4.5Å; W85-F342 HydrophobicContact CZ3-CE2 4.06Å; W85-L346 HydrophobicContact CD2-CD1 3.89Å; W85-L346 HydrophobicContact CD2-CD2 4.36Å; W85-L346 HydrophobicContact CD2-CG 4.36Å; W85-L346 HydrophobicContact CE3-CD1 3.57Å; W85-L346 HydrophobicContact CG-CD2 4.33Å; W85-L346 HydrophobicContact CH2-CD1 3.88Å; W85-L346 HydrophobicContact CZ2-CD1 4.24Å; W85-L346 HydrophobicContact CZ3-CD1 3.55Å |
| 86 | G | 86.7 | Confident | 85.5 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -35.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | P83 A84 L88 Q89 C90 K93 | P83-G86 WeakPolarHBondContact O-CA 3.07Å; P83-G86 PolarHBondContact O-N 3.16Å; A84-G86 VanDerWaalsContact C-N 3.33Å; G86-L88 VanDerWaalsContact C-N 3.35Å; G86-Q89 CarbonylContact O-C 3.5Å; G86-Q89 PolarHBondContact O-N 3.29Å; G86-C90 WeakPolarHBondContact O-CA 3.44Å; G86-C90 PolarHBondContact O-N 3.38Å; G86-K93 WeakPolarHBondContact O-CE 3.46Å |
| 87 | E | 87.3 | Confident | 85.9 | Confident | 78 Ų | 78 | 36 Ų | 36 | 36% | 0.364 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -35.8 | 175.2 | -69.6 | -52 | 140.6 | 0 | 0 | 112.9 | W85 K93 Q227 W260 | W85-E87 VanDerWaalsContact C-N 3.27Å; W85-E87 PolarHBondContact O-N 3.09Å; E87-K93 WeakPolarHBondContact OE1-CE 3.26Å; E87-K93 IonicContact OE1-NZ 2.78Å; E87-K93 PolarHBondContact OE1-NZ 2.85Å; E87-K93 IonicContact OE2-NZ 3.03Å; E87-K93 PolarHBondContact OE2-NZ 3.19Å; E87-Q227 PolarHBondContact O-NE2 2.83Å; E87-Q227 PolarHBondContact OE2-NE2 3.14Å; E87-Q227 VanDerWaalsContact OE2-NE2 3.07Å; E87-W260 VanDerWaalsContact O-CH2 3.25Å; E87-W260 WeakPolarHBondContact O-CH2 3.38Å |
| 88 | L | 91.3 | Very high | 86.5 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -41.8 | 175 | -174 | 65.6 | 0 | 0 | 0 | 111.4 | W85 G86 V199 K226 L259 W260 A263 L346 | W85-L88 HydrophobicContact CE3-CB 4.37Å; W85-L88 HydrophobicContact CE3-CD2 3.67Å; W85-L88 HydrophobicContact CZ3-CD2 3.92Å; W85-L88 WeakPolarHBondContact O-CB 3.27Å; W85-L88 PolarHBondContact O-N 3.44Å; W85-L88 VanDerWaalsContact O-N 3.08Å; G86-L88 VanDerWaalsContact C-N 3.35Å; L88-V199 HydrophobicContact CB-CG2 3.8Å; L88-V199 HydrophobicContact CD1-CG2 4.29Å; L88-K226 VanDerWaalsContact O-CE 3.29Å; L88-K226 WeakPolarHBondContact O-CE 3.45Å; L88-K226 PolarHBondContact O-NZ 3.48Å; L88-L259 HydrophobicContact CD1-CD2 4.31Å; L88-L259 HydrophobicContact CD1-CG 3.98Å; L88-L259 HydrophobicContact CD2-CD1 3.84Å; L88-L259 HydrophobicContact CD2-CD2 4.26Å; L88-L259 HydrophobicContact CD2-CG 3.89Å; L88-W260 HydrophobicContact CD1-CB 4.45Å; L88-W260 HydrophobicContact CD1-CD2 3.56Å; L88-W260 HydrophobicContact CD1-CE3 3.98Å; L88-W260 HydrophobicContact CD1-CG 3.79Å; L88-W260 HydrophobicContact CD1-CZ2 4.33Å; L88-A263 HydrophobicContact CD1-CB 3.74Å; L88-A263 HydrophobicContact CD2-CB 4.2Å; L88-A263 HydrophobicContact CG-CB 3.76Å; L88-L346 HydrophobicContact CD2-CD1 3.68Å |
| 89 | Q | 92.4 | Very high | 87.1 | Confident | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -135 | 98.8 | -174.5 | -70.5 | -177 | -21.2 | 0 | 0 | 109.9 | W85 G86 H91 R92 A263 E266 Y337 | W85-Q89 PolarHBondContact O-N 3.17Å; G86-Q89 CarbonylContact O-C 3.5Å; G86-Q89 PolarHBondContact O-N 3.29Å; Q89-H91 VanDerWaalsContact C-N 3.25Å; Q89-H91 PolarHBondContact O-N 3.47Å; Q89-H91 VanDerWaalsContact O-N 3.15Å; Q89-R92 HydrophobicContact CB-CG 4.22Å; Q89-R92 WeakPolarHBondContact O-CB 3.5Å; Q89-R92 PolarHBondContact O-N 3.46Å; Q89-A263 HydrophobicContact CG-CB 4.26Å; Q89-E266 VanDerWaalsContact NE2-CD 3.28Å; Q89-E266 PolarHBondContact NE2-OE1 3.49Å; Q89-E266 PolarHBondContact NE2-OE2 2.59Å; Q89-Y337 PolarHBondContact NE2-OH 3.3Å; Q89-Y337 VanDerWaalsContact NE2-OH 3.12Å |
| 90 | C | 91.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.1 | C | C | . | . | G | 310 helix | trans | -65 | -24.9 | -166.4 | -68.8 | 0 | 0 | 0 | 0 | 114.2 | G86 R92 K93 D230 Y231 M234 | G86-C90 WeakPolarHBondContact O-CA 3.44Å; G86-C90 PolarHBondContact O-N 3.38Å; C90-R92 PolarHBondContact O-N 2.9Å; C90-R92 VanDerWaalsContact O-N 3.08Å; C90-K93 WeakPolarHBondContact O-CB 3.33Å; C90-K93 PolarHBondContact O-N 2.8Å; C90-D230 HydrophobicContact CB-CB 3.73Å; C90-D230 PolarHBondContact N-OD2 2.9Å; C90-Y231 HydrophobicContact CB-CD1 4.25Å; C90-Y231 HydrophobicContact CB-CE1 3.82Å; C90-M234 HydrophobicContact CB-SD 4.07Å |
| 91 | H | 91.4 | Very high | 88.5 | Confident | 9 Ų | 9 | 16 Ų | 16 | 4% | 0.042 | 9% | 0.087 | C | C | . | . | G | 310 helix | trans | -63.3 | -11.9 | 173.5 | 71.1 | -89.2 | 0 | 0 | 0 | 113.6 | N22 V26 Q89 M234 | N22-H91 PolarHBondContact OD1-CE1 3.33Å; V26-H91 WeakPolarHBondContact CG2-O 3.45Å; Q89-H91 VanDerWaalsContact C-N 3.25Å; Q89-H91 PolarHBondContact O-N 3.47Å; Q89-H91 VanDerWaalsContact O-N 3.15Å; H91-M234 HydrophobicContact CB-CE 4.41Å; H91-M234 HydrophobicContact CB-CG 4.29Å; H91-M234 HydrophobicContact CB-SD 3.97Å; H91-M234 PolarHBondContact N-SD 3.33Å; H91-M234 VanDerWaalsContact N-SD 3.45Å |
| 92 | R | 91.4 | Very high | 88.8 | Confident | 8 Ų | 8 | 16.6 Ų | 16.6 | 3% | 0.03 | 9% | 0.088 | C | C | . | . | G | 310 helix | trans | -87.9 | -15.1 | 174 | -60.5 | -178.4 | -175.7 | -88.6 | -3.3 | 113.7 | C81 Q89 C90 L346 E349 | C81-R92 VanDerWaalsContact O-CB 3.32Å; C81-R92 WeakPolarHBondContact O-CB 3.45Å; C81-R92 WeakPolarHBondContact O-CD 3.41Å; C81-R92 WeakPolarHBondContact O-CG 3.44Å; Q89-R92 HydrophobicContact CB-CG 4.22Å; Q89-R92 WeakPolarHBondContact O-CB 3.5Å; Q89-R92 PolarHBondContact O-N 3.46Å; C90-R92 PolarHBondContact O-N 2.9Å; C90-R92 VanDerWaalsContact O-N 3.08Å; R92-L346 VanDerWaalsContact NH2-CD2 3.35Å; R92-E349 IonicContact CZ-OE1 3.38Å; R92-E349 IonicContact CZ-OE2 3.24Å; R92-E349 VanDerWaalsContact CZ-OE2 3.23Å; R92-E349 IonicContact NH1-OE1 3.7Å; R92-E349 PolarHBondContact NH1-OE1 2.9Å; R92-E349 IonicContact NH1-OE2 3.71Å; R92-E349 PolarHBondContact NH1-OE2 3.4Å; R92-E349 IonicContact NH2-OE1 3.12Å; R92-E349 IonicContact NH2-OE2 3.39Å; R92-E349 PolarHBondContact NH2-OE2 2.69Å |
| 93 | K | 91 | Very high | 88.4 | Confident | 16 Ų | 16 | 15 Ų | 15 | 7% | 0.07 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -67.3 | 140.7 | 178.9 | -65 | -172.5 | -173.5 | -165.6 | 0 | 109.4 | G86 E87 C90 L95 | G86-K93 WeakPolarHBondContact O-CE 3.46Å; E87-K93 WeakPolarHBondContact OE1-CE 3.26Å; E87-K93 IonicContact OE1-NZ 2.78Å; E87-K93 PolarHBondContact OE1-NZ 2.85Å; E87-K93 IonicContact OE2-NZ 3.03Å; E87-K93 PolarHBondContact OE2-NZ 3.19Å; C90-K93 WeakPolarHBondContact O-CB 3.33Å; C90-K93 PolarHBondContact O-N 2.8Å; K93-L95 HydrophobicContact CB-CD2 3.83Å; K93-L95 HydrophobicContact CB-CG 4.26Å; K93-L95 PolarHBondContact O-N 3.12Å |
| 94 | I | 92 | Very high | 87.4 | Confident | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 100.3 | 172.1 | -63.8 | 164.8 | 0 | 0 | 0 | 106.4 | V26 L28 P78 P83 F126 S129 L130 | V26-I94 HydrophobicContact CG1-CG1 4.28Å; L28-I94 HydrophobicContact CB-CG2 3.72Å; L28-I94 HydrophobicContact CD2-CD1 4.44Å; P78-I94 HydrophobicContact CB-CD1 3.53Å; P83-I94 HydrophobicContact CB-CD1 4.46Å; I94-F126 HydrophobicContact CD1-CD1 3.42Å; I94-F126 VanDerWaalsContact CD1-CD1 3.42Å; I94-F126 HydrophobicContact CD1-CE1 3.46Å; I94-F126 VanDerWaalsContact CD1-CE1 3.46Å; I94-F126 HydrophobicContact CD1-CG 4.15Å; I94-F126 HydrophobicContact CD1-CZ 4.23Å; I94-F126 HydrophobicContact CG2-CB 4.46Å; I94-F126 HydrophobicContact CG2-CG 4.48Å; I94-S129 CarbonylContact O-C 3.48Å; I94-S129 PolarHBondContact O-OG 3.49Å; I94-L130 HydrophobicContact CG2-CD2 4.11Å |
| 95 | L | 92.3 | Very high | 86 | Confident | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | -25.7 | -173.8 | -62.9 | 179.1 | 0 | 0 | 0 | 112.3 | I25 V26 K93 L131 L175 L179 M234 | I25-L95 HydrophobicContact CB-CD1 4.28Å; I25-L95 HydrophobicContact CG2-CD1 4.18Å; V26-L95 PolarHBondContact O-N 3.24Å; V26-L95 VanDerWaalsContact O-N 3.09Å; K93-L95 HydrophobicContact CB-CD2 3.83Å; K93-L95 HydrophobicContact CB-CG 4.26Å; K93-L95 PolarHBondContact O-N 3.12Å; L95-L131 HydrophobicContact CB-CD1 4.15Å; L95-L131 HydrophobicContact CB-CG 4.21Å; L95-L131 HydrophobicContact CD1-CD1 4.43Å; L95-L131 HydrophobicContact CD2-CD1 4.01Å; L95-L131 HydrophobicContact CD2-CD2 4.42Å; L95-L131 HydrophobicContact CD2-CG 4.04Å; L95-L131 HydrophobicContact CG-CD1 4.43Å; L95-L131 PolarHBondContact O-N 3.01Å; L95-L175 VanDerWaalsContact O-CD2 3.32Å; L95-L175 WeakPolarHBondContact O-CD2 3.5Å; L95-L179 HydrophobicContact CD1-CD1 3.99Å; L95-L179 HydrophobicContact CD1-CD2 3.93Å; L95-L179 HydrophobicContact CD1-CG 4.44Å; L95-M234 HydrophobicContact CD1-CE 3.39Å |
| 96 | G | 92.5 | Very high | 84.3 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 150.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V26 V27 L28 D132 | V26-G96 PolarHBondContact O-N 3.27Å; V27-G96 CarbonylContact C-O 3.57Å; V27-G96 WeakPolarHBondContact CA-O 3.48Å; L28-G96 PolarHBondContact N-O 3.5Å; G96-D132 WeakPolarHBondContact CA-O 3.15Å |
| 97 | F | 94.2 | Very high | 82.3 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 131.1 | 174 | -177 | -94.8 | 0 | 0 | 0 | 111.3 | L28 K30 F119 A122 R123 L130 D132 S133 R134 | L28-F97 HydrophobicContact CB-CD2 4.16Å; L28-F97 HydrophobicContact CD2-CD2 3.94Å; L28-F97 HydrophobicContact CD2-CE2 4.01Å; L28-F97 HydrophobicContact CG-CD2 4.12Å; L28-F97 HydrophobicContact CG-CE2 4.29Å; L28-F97 CarbonylContact O-C 3.6Å; L28-F97 WeakPolarHBondContact O-CA 3.41Å; K30-F97 HydrophobicContact CB-CE2 4Å; K30-F97 HydrophobicContact CB-CZ 3.99Å; K30-F97 HydrophobicContact CD-CE2 4.35Å; K30-F97 HydrophobicContact CD-CZ 4.34Å; F97-F119 HydrophobicContact CD1-CD2 4.08Å; F97-F119 AromaticContact CD1-CE2 3.51Å; F97-F119 HydrophobicContact CD1-CE2 3.51Å; F97-F119 HydrophobicContact CD1-CZ 4.28Å; F97-F119 AromaticContact CE1-CD2 3.64Å; F97-F119 HydrophobicContact CE1-CD2 3.64Å; F97-F119 AromaticContact CE1-CE2 3.58Å; F97-F119 HydrophobicContact CE1-CE2 3.58Å; F97-A122 HydrophobicContact CE1-CB 4.46Å; F97-A122 HydrophobicContact CZ-CB 3.78Å; F97-R123 HydrophobicContact CD1-CB 4.07Å; F97-R123 HydrophobicContact CE1-CB 4.28Å; F97-R123 HydrophobicContact CG-CB 4.31Å; F97-L130 HydrophobicContact CB-CD1 4.11Å; F97-L130 HydrophobicContact CB-CD2 3.56Å; F97-D132 PolarHBondContact N-O 3.14Å; F97-S133 CarbonylContact O-C 3.57Å; F97-S133 WeakPolarHBondContact O-CA 3.07Å; F97-R134 PolarHBondContact O-N 2.92Å |
| 98 | I | 93.5 | Very high | 80.5 | Confident | 6 Ų | 6 | 29 Ų | 29 | 3% | 0.031 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 112.1 | 174 | -58.2 | 176.7 | 0 | 0 | 0 | 108.5 | V27 L28 V29 K30 F74 V100 R134 V168 F171 | V27-I98 HydrophobicContact CG1-CD1 3.83Å; V27-I98 HydrophobicContact CG1-CG1 3.88Å; L28-I98 PolarHBondContact O-N 3.22Å; V29-I98 CarbonylContact C-O 3.57Å; V29-I98 WeakPolarHBondContact CA-O 3.41Å; V29-I98 HydrophobicContact CG1-CB 4.48Å; V29-I98 HydrophobicContact CG2-CB 4.38Å; K30-I98 PolarHBondContact N-O 3.35Å; F74-I98 HydrophobicContact CD1-CD1 4.38Å; F74-I98 HydrophobicContact CE1-CD1 3.99Å; I98-V100 HydrophobicContact CG2-CG2 4.07Å; I98-R134 CarbonylContact C-O 3.6Å; I98-R134 VanDerWaalsContact CA-O 3.29Å; I98-R134 WeakPolarHBondContact CA-O 3.32Å; I98-V168 HydrophobicContact CD1-CG2 4.43Å; I98-F171 HydrophobicContact CD1-CD1 4.1Å; I98-F171 HydrophobicContact CD1-CE1 3.89Å; I98-F171 HydrophobicContact CG1-CD1 4.41Å; I98-F171 HydrophobicContact CG1-CE1 3.91Å; I98-F171 HydrophobicContact CG1-CZ 4.2Å |
| 99 | G | 90.8 | Very high | 78.5 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 130.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | R134 L135 A136 | G99-R134 PolarHBondContact N-O 3.46Å; G99-L135 CarbonylContact O-C 3.51Å; G99-A136 PolarHBondContact O-N 3.04Å |
| 100 | V | 89.6 | Confident | 76.7 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 123.2 | 177 | -178.4 | 0 | 0 | 0 | 0 | 109.1 | V29 K30 P31 L32 F47 I50 I98 F102 A136 F138 | V29-V100 HydrophobicContact CG1-CG2 3.94Å; K30-V100 PolarHBondContact O-N 2.8Å; P31-V100 CarbonylContact C-O 3.43Å; P31-V100 WeakPolarHBondContact CA-O 3.25Å; L32-V100 PolarHBondContact N-O 2.83Å; F47-V100 HydrophobicContact CD2-CB 3.99Å; F47-V100 HydrophobicContact CD2-CG1 4.14Å; F47-V100 HydrophobicContact CD2-CG2 4.41Å; F47-V100 HydrophobicContact CE2-CB 4.09Å; F47-V100 HydrophobicContact CE2-CG2 4.18Å; I50-V100 HydrophobicContact CD1-CG1 3.84Å; I98-V100 HydrophobicContact CG2-CG2 4.07Å; V100-F102 HydrophobicContact CG1-CE2 4.13Å; V100-F102 HydrophobicContact CG1-CZ 3.98Å; V100-A136 WeakPolarHBondContact CA-O 3.38Å; V100-F138 HydrophobicContact CG1-CD2 4.15Å; V100-F138 HydrophobicContact CG1-CE2 4.06Å |
| 101 | A | 84.5 | Confident | 75.4 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 155.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | L32 W115 A136 L137 F138 | L32-A101 HydrophobicContact CB-CB 4.17Å; A101-W115 HydrophobicContact CB-CD2 3.95Å; A101-W115 HydrophobicContact CB-CE3 3.5Å; A101-W115 HydrophobicContact CB-CH2 4.04Å; A101-W115 HydrophobicContact CB-CZ2 4.43Å; A101-W115 HydrophobicContact CB-CZ3 3.58Å; A101-A136 PolarHBondContact N-O 3.01Å; A101-L137 HydrophobicContact CB-CD2 3.66Å; A101-F138 PolarHBondContact O-N 2.82Å |
| 102 | F | 81.4 | Confident | 74.3 | Confident | 19 Ų | 19 | 39.6 Ų | 39.6 | 8% | 0.083 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 121.6 | 176.7 | -56.3 | -84.2 | 0 | 0 | 0 | 109.1 | S43 N46 F47 I50 V100 S104 F138 L158 | S43-F102 WeakPolarHBondContact O-CE2 3.25Å; N46-F102 HydrophobicContact CB-CD1 4.32Å; N46-F102 HydrophobicContact CB-CE1 3.58Å; N46-F102 HydrophobicContact CB-CE2 4.36Å; N46-F102 HydrophobicContact CB-CZ 3.58Å; F47-F102 HydrophobicContact CB-CE2 4.08Å; F47-F102 HydrophobicContact CB-CZ 4.35Å; I50-F102 HydrophobicContact CD1-CE1 3.86Å; I50-F102 HydrophobicContact CD1-CZ 3.72Å; V100-F102 HydrophobicContact CG1-CE2 4.13Å; V100-F102 HydrophobicContact CG1-CZ 3.98Å; F102-S104 PolarHBondContact O-N 3.3Å; F102-F138 HydrophobicContact CD1-CB 3.57Å; F102-F138 HydrophobicContact CD1-CD2 4.44Å; F102-F138 HydrophobicContact CD1-CG 4.16Å; F102-F138 HydrophobicContact CE1-CB 3.91Å; F102-F138 HydrophobicContact CE1-CD2 4.07Å; F102-F138 AromaticContact CE1-CG 3.99Å; F102-F138 HydrophobicContact CE1-CG 3.99Å; F102-L158 HydrophobicContact CD1-CD1 4.26Å; F102-L158 HydrophobicContact CE1-CD1 3.86Å |
| 103 | A | 72.5 | Confident | 73.5 | Confident | 25 Ų | 25 | 43.7 Ų | 43.7 | 21% | 0.207 | 29% | 0.285 | C | S | . | . | trans | -79 | 104.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | F138 D139 H140 | A103-F138 PolarHBondContact N-O 3Å; A103-D139 WeakPolarHBondContact O-CB 3.41Å; A103-H140 HydrophobicContact CB-CB 3.91Å | ||
| 104 | S | 60.6 | Low | 72.8 | Confident | 79 Ų | 79 | 50.3 Ų | 50.3 | 55% | 0.552 | 31% | 0.309 | S | S | * | . | trans | -70.4 | 138.7 | -178.7 | -164.2 | 0 | 0 | 0 | 0 | 111.4 | F102 G106 | F102-S104 PolarHBondContact O-N 3.3Å; S104-G106 PolarHBondContact O-N 2.82Å | ||
| 105 | N | 52.8 | Low | 72.1 | Confident | 158 Ų | 158 | 51.4 Ų | 51.4 | 85% | 0.845 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | 12.8 | -171.7 | -85 | -10.4 | 0 | 0 | 0 | 117.2 | ||
| 106 | G | 50.2 | Low | 71.5 | Confident | 72 Ų | 72 | 52 Ų | 52 | 74% | 0.742 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.6 | -10.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | S104 | S104-G106 PolarHBondContact O-N 2.82Š|
| 107 | S | 44.9 | Very low | 71.1 | Confident | 60 Ų | 60 | 54.6 Ų | 54.6 | 42% | 0.42 | 34% | 0.338 | S | S | . | . | trans | -119.5 | 91.8 | -179.6 | 163.4 | 0 | 0 | 0 | 0 | 108.7 | T109 | S107-T109 PolarHBondContact O-N 3.36Å; S107-T109 PolarHBondContact OG-N 2.87Å; S107-T109 PolarHBondContact OG-OG1 3.3Å | ||
| 108 | T | 48.5 | Very low | 70.6 | Confident | 155 Ų | 155 | 55.8 Ų | 55.8 | 95% | 0.951 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | 12.3 | 164.1 | 36.8 | 0 | 0 | 0 | 0 | 113 | ||
| 109 | T | 50.1 | Low | 70.3 | Confident | 114 Ų | 114 | 55.8 Ų | 55.8 | 70% | 0.699 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.7 | -7.6 | -169.1 | 55.9 | 0 | 0 | 0 | 0 | 115.1 | S107 G111 | S107-T109 PolarHBondContact O-N 3.36Å; S107-T109 PolarHBondContact OG-N 2.87Å; S107-T109 PolarHBondContact OG-OG1 3.3Å; T109-G111 PolarHBondContact O-N 3.41Å |
| 110 | V | 55.3 | Low | 70.1 | Confident | 43 Ų | 43 | 59.6 Ų | 59.6 | 26% | 0.261 | 36% | 0.362 | S | S | . | . | trans | -94.5 | 98.4 | 173.5 | -172.1 | 0 | 0 | 0 | 0 | 109.8 | F34 R114 | F34-V110 HydrophobicContact CD2-CG1 3.69Å; F34-V110 HydrophobicContact CE2-CG1 3.91Å; F34-V110 HydrophobicContact CG-CG1 4.4Å; V110-R114 HydrophobicContact CG1-CB 4.17Å | ||
| 111 | G | 64.1 | Low | 70 | Confident | 46 Ų | 46 | 66.4 Ų | 66.4 | 47% | 0.474 | 39% | 0.394 | S | S | . | . | trans | -62.6 | 144.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | T109 D113 R114 | T109-G111 PolarHBondContact O-N 3.41Å; G111-D113 PolarHBondContact O-N 2.63Å; G111-D113 VanDerWaalsContact O-N 3.17Å; G111-R114 WeakPolarHBondContact O-CB 3.34Å; G111-R114 PolarHBondContact O-N 2.8Å | ||
| 112 | E | 67.2 | Low | 70 | Confident | 28 Ų | 28 | 66.8 Ų | 66.8 | 13% | 0.131 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -47.9 | -39.7 | 178.2 | -171.8 | 178.1 | 173.7 | 0 | 0 | 113.5 | R114 W115 I116 S143 Y154 | E112-R114 PolarHBondContact O-N 2.88Å; E112-R114 VanDerWaalsContact O-N 3.08Å; E112-W115 PolarHBondContact O-N 3.34Å; E112-I116 HydrophobicContact CG-CD1 4.14Å; E112-I116 PolarHBondContact O-N 3.07Å; E112-I116 VanDerWaalsContact O-N 3.17Å; E112-S143 PolarHBondContact OE2-OG 3.13Å; E112-Y154 PolarHBondContact OE1-OH 3Å |
| 113 | D | 74.8 | Confident | 70.3 | Confident | 94 Ų | 94 | 69 Ų | 69 | 50% | 0.503 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -54.7 | -30.9 | 178.1 | -67.4 | -31.1 | 0 | 0 | 0 | 112.8 | G111 A117 R146 | G111-D113 PolarHBondContact O-N 2.63Å; G111-D113 VanDerWaalsContact O-N 3.17Å; D113-A117 WeakPolarHBondContact O-CB 3.46Å; D113-A117 PolarHBondContact O-N 3.11Å; D113-R146 IonicContact OD1-CZ 3.91Å; D113-R146 IonicContact OD1-NH1 3.51Å; D113-R146 PolarHBondContact OD1-NH1 2.78Å; D113-R146 IonicContact OD2-CZ 3.82Å; D113-R146 IonicContact OD2-NH1 3.75Å; D113-R146 PolarHBondContact OD2-NH1 2.79Å; D113-R146 IonicContact OD2-NH2 3.84Å |
| 114 | R | 77.4 | Confident | 71 | Confident | 155 Ų | 155 | 72.9 Ų | 72.9 | 59% | 0.585 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -72.6 | -45.4 | 179.2 | -139.7 | 179.7 | -175.5 | 162 | -0 | 111 | F34 V110 G111 E112 I116 A117 C118 | F34-R114 HydrophobicContact CE1-CB 4.4Å; F34-R114 HydrophobicContact CE1-CG 3.73Å; F34-R114 HydrophobicContact CE2-CB 4.07Å; F34-R114 HydrophobicContact CE2-CG 4.29Å; F34-R114 VanDerWaalsContact CZ-C 3.48Å; F34-R114 HydrophobicContact CZ-CB 3.75Å; F34-R114 HydrophobicContact CZ-CG 3.57Å; F34-R114 VanDerWaalsContact CZ-O 3.3Å; F34-R114 WeakPolarHBondContact CZ-O 3.06Å; V110-R114 HydrophobicContact CG1-CB 4.17Å; G111-R114 WeakPolarHBondContact O-CB 3.34Å; G111-R114 PolarHBondContact O-N 2.8Å; E112-R114 PolarHBondContact O-N 2.88Å; E112-R114 VanDerWaalsContact O-N 3.08Å; R114-I116 VanDerWaalsContact C-N 3.29Å; R114-I116 PolarHBondContact O-N 2.64Å; R114-A117 WeakPolarHBondContact O-CB 3.33Å; R114-A117 PolarHBondContact O-N 3.35Å; R114-C118 PolarHBondContact O-N 2.89Å |
| 115 | W | 77.1 | Confident | 72.1 | Confident | 23 Ų | 23 | 73.8 Ų | 73.8 | 9% | 0.087 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -59.3 | -42.8 | 176.6 | -70.5 | 115.2 | 0 | 0 | 0 | 111.4 | L32 F34 A101 E112 C118 F119 L137 | L32-W115 HydrophobicContact CB-CE3 4.21Å; L32-W115 HydrophobicContact CB-CZ3 4.11Å; L32-W115 WeakPolarHBondContact O-CZ3 3.13Å; F34-W115 AromaticContact CD2-CD2 3.73Å; F34-W115 HydrophobicContact CD2-CD2 3.73Å; F34-W115 AromaticContact CD2-CE2 3.74Å; F34-W115 AromaticContact CD2-CE3 3.54Å; F34-W115 HydrophobicContact CD2-CE3 3.54Å; F34-W115 AromaticContact CD2-CH2 3.44Å; F34-W115 HydrophobicContact CD2-CH2 3.44Å; F34-W115 VanDerWaalsContact CD2-CH2 3.44Å; F34-W115 AromaticContact CD2-CZ2 3.64Å; F34-W115 HydrophobicContact CD2-CZ2 3.64Å; F34-W115 AromaticContact CD2-CZ3 3.35Å; F34-W115 HydrophobicContact CD2-CZ3 3.35Å; F34-W115 HydrophobicContact CE2-CB 4.48Å; F34-W115 AromaticContact CE2-CD2 3.39Å; F34-W115 HydrophobicContact CE2-CD2 3.39Å; F34-W115 AromaticContact CE2-CE2 3.85Å; F34-W115 AromaticContact CE2-CE3 3.25Å; F34-W115 HydrophobicContact CE2-CE3 3.25Å; F34-W115 AromaticContact CE2-CG 3.93Å; F34-W115 HydrophobicContact CE2-CG 3.93Å; F34-W115 HydrophobicContact CE2-CH2 4.08Å; F34-W115 HydrophobicContact CE2-CZ2 4.2Å; F34-W115 AromaticContact CE2-CZ3 3.59Å; F34-W115 HydrophobicContact CE2-CZ3 3.59Å; F34-W115 HydrophobicContact CG-CH2 4.37Å; F34-W115 HydrophobicContact CG-CZ3 4.36Å; F34-W115 HydrophobicContact CZ-CE3 4.32Å; A101-W115 HydrophobicContact CB-CD2 3.95Å; A101-W115 HydrophobicContact CB-CE3 3.5Å; A101-W115 HydrophobicContact CB-CH2 4.04Å; A101-W115 HydrophobicContact CB-CZ2 4.43Å; A101-W115 HydrophobicContact CB-CZ3 3.58Å; E112-W115 PolarHBondContact O-N 3.34Å; W115-C118 PolarHBondContact O-N 2.96Å; W115-F119 WeakPolarHBondContact O-CB 3.44Å; W115-F119 PolarHBondContact O-N 2.81Å; W115-L137 HydrophobicContact CB-CD2 4.16Å; W115-L137 HydrophobicContact CG-CD2 4.2Å |
| 116 | I | 80.4 | Confident | 73.6 | Confident | 15 Ų | 15 | 68 Ų | 68 | 8% | 0.077 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62.8 | -43.7 | 176.3 | -64.1 | 171.5 | 0 | 0 | 0 | 110.8 | E112 R114 F119 K120 L135 | E112-I116 HydrophobicContact CG-CD1 4.14Å; E112-I116 PolarHBondContact O-N 3.07Å; E112-I116 VanDerWaalsContact O-N 3.17Å; R114-I116 VanDerWaalsContact C-N 3.29Å; R114-I116 PolarHBondContact O-N 2.64Å; I116-F119 PolarHBondContact O-N 2.75Å; I116-K120 HydrophobicContact CG2-CD 3.98Å; I116-K120 HydrophobicContact CG2-CG 4.48Å; I116-K120 WeakPolarHBondContact O-CB 3.22Å; I116-K120 WeakPolarHBondContact O-CG 3.31Å; I116-K120 PolarHBondContact O-N 2.99Å; I116-L135 HydrophobicContact CG1-CD2 4.27Å |
| 117 | A | 83.4 | Confident | 75.2 | Confident | 53 Ų | 53 | 69 Ų | 69 | 44% | 0.438 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.9 | -44.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | D113 R114 F119 K120 E121 | D113-A117 WeakPolarHBondContact O-CB 3.46Å; D113-A117 PolarHBondContact O-N 3.11Å; R114-A117 WeakPolarHBondContact O-CB 3.33Å; R114-A117 PolarHBondContact O-N 3.35Å; A117-F119 PolarHBondContact O-N 3.3Å; A117-K120 PolarHBondContact O-N 2.94Å; A117-E121 WeakPolarHBondContact O-CB 3.3Å; A117-E121 PolarHBondContact O-N 2.85Å |
| 118 | C | 84 | Confident | 76.9 | Confident | 26 Ų | 26 | 75 Ų | 75 | 18% | 0.176 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -65 | -38.4 | 177.7 | -173 | 0 | 0 | 0 | 0 | 112.2 | F34 R114 W115 E121 A122 | F34-C118 HydrophobicContact CE1-CB 4.33Å; F34-C118 HydrophobicContact CZ-CB 3.76Å; R114-C118 PolarHBondContact O-N 2.89Å; W115-C118 PolarHBondContact O-N 2.96Å; C118-E121 PolarHBondContact O-N 2.81Å; C118-A122 WeakPolarHBondContact O-CB 3.43Å; C118-A122 PolarHBondContact O-N 3.07Å |
| 119 | F | 87.4 | Confident | 78.6 | Confident | 6 Ų | 6 | 69 Ų | 69 | 3% | 0.026 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.4 | -47.7 | 172 | 170.4 | -102.5 | 0 | 0 | 0 | 111.8 | L32 F97 W115 I116 A117 E121 A122 R123 R134 L135 | L32-F119 HydrophobicContact CD1-CB 3.8Å; L32-F119 HydrophobicContact CD1-CD2 4.27Å; F97-F119 HydrophobicContact CD1-CD2 4.08Å; F97-F119 AromaticContact CD1-CE2 3.51Å; F97-F119 HydrophobicContact CD1-CE2 3.51Å; F97-F119 HydrophobicContact CD1-CZ 4.28Å; F97-F119 AromaticContact CE1-CD2 3.64Å; F97-F119 HydrophobicContact CE1-CD2 3.64Å; F97-F119 AromaticContact CE1-CE2 3.58Å; F97-F119 HydrophobicContact CE1-CE2 3.58Å; W115-F119 WeakPolarHBondContact O-CB 3.44Å; W115-F119 PolarHBondContact O-N 2.81Å; I116-F119 PolarHBondContact O-N 2.75Å; A117-F119 PolarHBondContact O-N 3.3Å; F119-E121 VanDerWaalsContact C-N 3.3Å; F119-E121 PolarHBondContact O-N 2.79Å; F119-A122 PolarHBondContact O-N 2.91Å; F119-R123 WeakPolarHBondContact O-CG 3.43Å; F119-R123 PolarHBondContact O-N 2.93Å; F119-R123 VanDerWaalsContact O-N 3.12Å; F119-R134 VanDerWaalsContact CE2-O 3.26Å; F119-R134 WeakPolarHBondContact CE2-O 3.12Å; F119-L135 HydrophobicContact CB-CD1 4.23Å; F119-L135 HydrophobicContact CB-CD2 4.02Å; F119-L135 HydrophobicContact CD1-CB 4.37Å; F119-L135 HydrophobicContact CD2-CB 3.84Å; F119-L135 HydrophobicContact CD2-CD1 4.12Å; F119-L135 HydrophobicContact CD2-CG 4.44Å; F119-L135 HydrophobicContact CE2-CB 4.01Å; F119-L135 HydrophobicContact CG-CB 4.02Å; F119-L135 HydrophobicContact CG-CD1 4.38Å; F119-L135 HydrophobicContact CG-CD2 4.28Å; F119-L135 HydrophobicContact CG-CG 4.45Å; F119-L135 HydrophobicContact CZ-CB 4.34Å |
| 120 | K | 86.4 | Confident | 80.4 | Confident | 80 Ų | 80 | 64.9 Ų | 64.9 | 35% | 0.348 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.4 | -37.8 | 177.3 | -74.3 | 174.5 | -179 | 168.8 | 0 | 111.7 | I116 A117 R123 E149 | I116-K120 HydrophobicContact CG2-CD 3.98Å; I116-K120 HydrophobicContact CG2-CG 4.48Å; I116-K120 WeakPolarHBondContact O-CB 3.22Å; I116-K120 WeakPolarHBondContact O-CG 3.31Å; I116-K120 PolarHBondContact O-N 2.99Å; A117-K120 PolarHBondContact O-N 2.94Å; K120-R123 VanDerWaalsContact O-CG 3.24Å; K120-R123 WeakPolarHBondContact O-CG 3.42Å; K120-E149 WeakPolarHBondContact CE-OE2 3.42Å; K120-E149 IonicContact NZ-OE1 3.53Å; K120-E149 PolarHBondContact NZ-OE1 2.84Å; K120-E149 IonicContact NZ-OE2 3.71Å; K120-E149 PolarHBondContact NZ-OE2 3.2Å |
| 121 | E | 86.7 | Confident | 82.1 | Confident | 143 Ų | 143 | 64.4 Ų | 64.4 | 67% | 0.668 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -69.6 | -43.6 | 174.3 | -171.6 | -176.9 | -177.4 | 0 | 0 | 112.1 | A117 C118 F119 R123 L124 | A117-E121 WeakPolarHBondContact O-CB 3.3Å; A117-E121 PolarHBondContact O-N 2.85Å; C118-E121 PolarHBondContact O-N 2.81Å; F119-E121 VanDerWaalsContact C-N 3.3Å; F119-E121 PolarHBondContact O-N 2.79Å; E121-R123 VanDerWaalsContact C-N 3.31Å; E121-R123 PolarHBondContact O-N 2.87Å; E121-L124 WeakPolarHBondContact O-CB 3.45Å; E121-L124 PolarHBondContact O-N 3.37Å |
| 122 | A | 85.7 | Confident | 83.4 | Confident | 9 Ų | 9 | 63.5 Ų | 63.5 | 7% | 0.074 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.7 | -27.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114 | K30 L32 F97 C118 F119 | K30-A122 HydrophobicContact CD-CB 4.16Å; L32-A122 HydrophobicContact CD2-CB 3.81Å; F97-A122 HydrophobicContact CE1-CB 4.46Å; F97-A122 HydrophobicContact CZ-CB 3.78Å; C118-A122 WeakPolarHBondContact O-CB 3.43Å; C118-A122 PolarHBondContact O-N 3.07Å; F119-A122 PolarHBondContact O-N 2.91Å |
| 123 | R | 87.2 | Confident | 84.5 | Confident | 65 Ų | 65 | 62.7 Ų | 62.7 | 25% | 0.245 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -83.3 | -24 | 176.7 | 71.4 | 179.7 | -168.4 | 106.9 | 22.3 | 113.6 | F97 F119 K120 E121 P125 F126 E127 L130 | F97-R123 HydrophobicContact CD1-CB 4.07Å; F97-R123 HydrophobicContact CE1-CB 4.28Å; F97-R123 HydrophobicContact CG-CB 4.31Å; F119-R123 WeakPolarHBondContact O-CG 3.43Å; F119-R123 PolarHBondContact O-N 2.93Å; F119-R123 VanDerWaalsContact O-N 3.12Å; K120-R123 VanDerWaalsContact O-CG 3.24Å; K120-R123 WeakPolarHBondContact O-CG 3.42Å; E121-R123 VanDerWaalsContact C-N 3.31Å; E121-R123 PolarHBondContact O-N 2.87Å; R123-P125 VanDerWaalsContact C-N 3.34Å; R123-F126 PolarHBondContact O-N 2.77Å; R123-E127 IonicContact CZ-OE1 2.94Å; R123-E127 IonicContact NH1-OE1 2.84Å; R123-E127 PolarHBondContact NH1-OE1 3.07Å; R123-E127 IonicContact NH2-OE1 2.87Å; R123-E127 PolarHBondContact NH2-OE1 3.32Å; R123-E127 PolarHBondContact O-N 2.98Å; R123-L130 HydrophobicContact CB-CD1 4.02Å |
| 124 | L | 86.9 | Confident | 85.4 | Confident | 106 Ų | 106 | 61 Ų | 61 | 56% | 0.555 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -49.6 | -42.6 | -173.2 | -163.3 | 79.3 | 0 | 0 | 0 | 114 | E121 F126 E127 | E121-L124 WeakPolarHBondContact O-CB 3.45Å; E121-L124 PolarHBondContact O-N 3.37Å; L124-F126 PolarHBondContact O-N 2.78Å; L124-E127 WeakPolarHBondContact CD1-OE2 3.43Å; L124-E127 PolarHBondContact O-N 3.06Å |
| 125 | P | 84.5 | Confident | 85.9 | Confident | 99 Ų | 99 | 53.6 Ų | 53.6 | 64% | 0.643 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -63.5 | -14.8 | 179.9 | -22.4 | 35 | 0 | 0 | 0 | 115 | R123 | R123-P125 VanDerWaalsContact C-N 3.34Š|
| 126 | F | 84.3 | Confident | 86.5 | Confident | 36 Ų | 36 | 52.6 Ų | 52.6 | 16% | 0.158 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -119.1 | 5.4 | -174.9 | -46.5 | -69.5 | 0 | 0 | 0 | 112.7 | L28 P78 I94 R123 L124 M128 S129 L130 | L28-F126 HydrophobicContact CD2-CD2 3.84Å; L28-F126 HydrophobicContact CD2-CE2 3.35Å; L28-F126 HydrophobicContact CD2-CZ 3.74Å; P78-F126 HydrophobicContact CB-CE1 3.84Å; P78-F126 HydrophobicContact CB-CZ 3.93Å; P78-F126 HydrophobicContact CG-CE1 4.23Å; P78-F126 HydrophobicContact CG-CZ 3.9Å; I94-F126 HydrophobicContact CD1-CD1 3.42Å; I94-F126 VanDerWaalsContact CD1-CD1 3.42Å; I94-F126 HydrophobicContact CD1-CE1 3.46Å; I94-F126 VanDerWaalsContact CD1-CE1 3.46Å; I94-F126 HydrophobicContact CD1-CG 4.15Å; I94-F126 HydrophobicContact CD1-CZ 4.23Å; I94-F126 HydrophobicContact CG2-CB 4.46Å; I94-F126 HydrophobicContact CG2-CG 4.48Å; R123-F126 PolarHBondContact O-N 2.77Å; L124-F126 PolarHBondContact O-N 2.78Å; F126-M128 PolarHBondContact O-N 3.3Å; F126-M128 VanDerWaalsContact O-N 3.14Å; F126-S129 PolarHBondContact O-N 2.73Å; F126-S129 PolarHBondContact O-OG 3.1Å; F126-S129 VanDerWaalsContact O-OG 3.12Å; F126-L130 HydrophobicContact CB-CD1 3.74Å; F126-L130 HydrophobicContact CB-CG 3.9Å; F126-L130 VanDerWaalsContact O-CG 3.29Å; F126-L130 WeakPolarHBondContact O-CG 3.18Å; F126-L130 PolarHBondContact O-N 2.99Å |
| 127 | E | 83.2 | Confident | 86.6 | Confident | 92 Ų | 92 | 52 Ų | 52 | 43% | 0.43 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -34.7 | -171.1 | -170.8 | 160.8 | -141.3 | 0 | 0 | 113 | R123 L124 S129 | R123-E127 IonicContact CZ-OE1 2.94Å; R123-E127 IonicContact NH1-OE1 2.84Å; R123-E127 PolarHBondContact NH1-OE1 3.07Å; R123-E127 IonicContact NH2-OE1 2.87Å; R123-E127 PolarHBondContact NH2-OE1 3.32Å; R123-E127 PolarHBondContact O-N 2.98Å; L124-E127 WeakPolarHBondContact CD1-OE2 3.43Å; L124-E127 PolarHBondContact O-N 3.06Å; E127-S129 VanDerWaalsContact C-N 3.3Å; E127-S129 PolarHBondContact O-N 3.42Å |
| 128 | M | 80.9 | Confident | 86.6 | Confident | 187 Ų | 187 | 49.6 Ų | 49.6 | 92% | 0.921 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -26.6 | 176.9 | -69.1 | -58.2 | -55.3 | 0 | 0 | 114.5 | F126 | F126-M128 PolarHBondContact O-N 3.3Å; F126-M128 VanDerWaalsContact O-N 3.14Å |
| 129 | S | 84.5 | Confident | 86.1 | Confident | 29 Ų | 29 | 49.9 Ų | 49.9 | 20% | 0.203 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | -22.1 | -178.8 | 59.9 | 0 | 0 | 0 | 0 | 114 | I94 F126 E127 | I94-S129 CarbonylContact O-C 3.48Å; I94-S129 PolarHBondContact O-OG 3.49Å; F126-S129 PolarHBondContact O-N 2.73Å; F126-S129 PolarHBondContact O-OG 3.1Å; F126-S129 VanDerWaalsContact O-OG 3.12Å; E127-S129 VanDerWaalsContact C-N 3.3Å; E127-S129 PolarHBondContact O-N 3.42Å |
| 130 | L | 88.1 | Confident | 85.2 | Confident | 27 Ų | 27 | 52.1 Ų | 52.1 | 14% | 0.141 | 26% | 0.26 | C | S | . | . | trans | -66.8 | 138.2 | -177.2 | -78.4 | 167.5 | 0 | 0 | 0 | 111.7 | I94 F97 R123 F126 | I94-L130 HydrophobicContact CG2-CD2 4.11Å; F97-L130 HydrophobicContact CB-CD1 4.11Å; F97-L130 HydrophobicContact CB-CD2 3.56Å; R123-L130 HydrophobicContact CB-CD1 4.02Å; F126-L130 HydrophobicContact CB-CD1 3.74Å; F126-L130 HydrophobicContact CB-CG 3.9Å; F126-L130 VanDerWaalsContact O-CG 3.29Å; F126-L130 WeakPolarHBondContact O-CG 3.18Å; F126-L130 PolarHBondContact O-N 2.99Å | ||
| 131 | L | 89.8 | Confident | 84.3 | Confident | 33 Ų | 33 | 52.2 Ų | 52.2 | 17% | 0.173 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -105.3 | -37.4 | 176.4 | -49.6 | -178.2 | 0 | 0 | 0 | 111.6 | L95 L175 V178 L179 | L95-L131 HydrophobicContact CB-CD1 4.15Å; L95-L131 HydrophobicContact CB-CG 4.21Å; L95-L131 HydrophobicContact CD1-CD1 4.43Å; L95-L131 HydrophobicContact CD2-CD1 4.01Å; L95-L131 HydrophobicContact CD2-CD2 4.42Å; L95-L131 HydrophobicContact CD2-CG 4.04Å; L95-L131 HydrophobicContact CG-CD1 4.43Å; L95-L131 PolarHBondContact O-N 3.01Å; L131-L175 HydrophobicContact CB-CD2 3.7Å; L131-V178 HydrophobicContact CB-CB 4.41Å; L131-V178 HydrophobicContact CB-CG1 4.22Å; L131-V178 HydrophobicContact CD1-CB 4.21Å; L131-V178 HydrophobicContact CD1-CG1 4.03Å; L131-V178 HydrophobicContact CD2-CG1 3.87Å; L131-V178 HydrophobicContact CG-CG1 4.27Å; L131-L179 HydrophobicContact CD1-CD2 3.77Å; L131-L179 HydrophobicContact CD1-CG 3.75Å |
| 132 | D | 90.9 | Very high | 83.1 | Confident | 28 Ų | 28 | 49 Ų | 49 | 15% | 0.15 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 158.5 | 173.6 | -166.4 | 1.7 | 0 | 0 | 0 | 109.1 | G96 F97 R134 F171 S174 L175 | G96-D132 WeakPolarHBondContact CA-O 3.15Å; F97-D132 PolarHBondContact N-O 3.14Å; D132-R134 IonicContact OD1-NE 3.84Å; D132-R134 IonicContact OD2-CZ 3.08Å; D132-R134 IonicContact OD2-NE 2.7Å; D132-R134 PolarHBondContact OD2-NE 3.13Å; D132-R134 IonicContact OD2-NH2 2.85Å; D132-R134 PolarHBondContact OD2-NH2 3.44Å; D132-R134 VanDerWaalsContact OD2-NH2 3.12Å; D132-F171 HydrophobicContact CB-CD2 4.06Å; D132-F171 HydrophobicContact CB-CE2 3.72Å; D132-F171 WeakPolarHBondContact OD2-CD2 3.32Å; D132-S174 WeakPolarHBondContact CB-OG 3.4Å; D132-S174 WeakPolarHBondContact OD2-CB 3.35Å; D132-S174 PolarHBondContact OD2-OG 2.97Å; D132-L175 HydrophobicContact CB-CD2 3.69Å; D132-L175 HydrophobicContact CB-CG 4.49Å |
| 133 | S | 92.1 | Very high | 81.8 | Confident | 11 Ų | 11 | 51 Ų | 51 | 8% | 0.077 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 140.7 | 176.8 | 61.2 | 0 | 0 | 0 | 0 | 111.8 | F97 | F97-S133 CarbonylContact O-C 3.57Å; F97-S133 WeakPolarHBondContact O-CA 3.07Å |
| 134 | R | 92.2 | Very high | 80.3 | Confident | 58 Ų | 58 | 57 Ų | 57 | 22% | 0.219 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 143.9 | 179.8 | -59 | -66.7 | 172.3 | 150 | 2.1 | 112.1 | F97 I98 G99 F119 D132 E150 Y151 L153 F171 | F97-R134 PolarHBondContact O-N 2.92Å; I98-R134 CarbonylContact C-O 3.6Å; I98-R134 VanDerWaalsContact CA-O 3.29Å; I98-R134 WeakPolarHBondContact CA-O 3.32Å; G99-R134 PolarHBondContact N-O 3.46Å; F119-R134 VanDerWaalsContact CE2-O 3.26Å; F119-R134 WeakPolarHBondContact CE2-O 3.12Å; D132-R134 IonicContact OD1-NE 3.84Å; D132-R134 IonicContact OD2-CZ 3.08Å; D132-R134 IonicContact OD2-NE 2.7Å; D132-R134 PolarHBondContact OD2-NE 3.13Å; D132-R134 IonicContact OD2-NH2 2.85Å; D132-R134 PolarHBondContact OD2-NH2 3.44Å; D132-R134 VanDerWaalsContact OD2-NH2 3.12Å; R134-E150 PolarHBondContact NH1-O 2.86Å; R134-Y151 CarbonylContact C-O 3.53Å; R134-Y151 WeakPolarHBondContact CA-O 3.42Å; R134-L153 HydrophobicContact CB-CD1 4.14Å; R134-F171 HydrophobicContact CG-CB 4.11Å; R134-F171 HydrophobicContact CG-CD2 3.41Å; R134-F171 VanDerWaalsContact CG-CD2 3.41Å; R134-F171 HydrophobicContact CG-CE2 3.99Å; R134-F171 HydrophobicContact CG-CG 3.91Å |
| 135 | L | 89.3 | Confident | 78.5 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 114.1 | 173.1 | 174.3 | 57.3 | 0 | 0 | 0 | 109.2 | L32 G99 I116 F119 L137 Y151 C152 L153 | L32-L135 HydrophobicContact CD1-CD1 3.5Å; G99-L135 CarbonylContact O-C 3.51Å; I116-L135 HydrophobicContact CG1-CD2 4.27Å; F119-L135 HydrophobicContact CB-CD1 4.23Å; F119-L135 HydrophobicContact CB-CD2 4.02Å; F119-L135 HydrophobicContact CD1-CB 4.37Å; F119-L135 HydrophobicContact CD2-CB 3.84Å; F119-L135 HydrophobicContact CD2-CD1 4.12Å; F119-L135 HydrophobicContact CD2-CG 4.44Å; F119-L135 HydrophobicContact CE2-CB 4.01Å; F119-L135 HydrophobicContact CG-CB 4.02Å; F119-L135 HydrophobicContact CG-CD1 4.38Å; F119-L135 HydrophobicContact CG-CD2 4.28Å; F119-L135 HydrophobicContact CG-CG 4.45Å; F119-L135 HydrophobicContact CZ-CB 4.34Å; L135-L137 HydrophobicContact CD1-CD2 3.91Å; L135-L137 HydrophobicContact CD1-CG 4.47Å; L135-L137 HydrophobicContact CD2-CD1 4.34Å; L135-L137 HydrophobicContact CD2-CD2 4.06Å; L135-L137 HydrophobicContact CD2-CG 4.24Å; L135-L137 HydrophobicContact CG-CD2 3.92Å; L135-L137 HydrophobicContact CG-CG 3.99Å; L135-Y151 PolarHBondContact N-O 3.11Å; L135-C152 CarbonylContact O-C 3.56Å; L135-C152 WeakPolarHBondContact O-CA 3.06Å; L135-L153 PolarHBondContact O-N 3.46Å |
| 136 | A | 87.9 | Confident | 76.8 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.008 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 111.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | G99 V100 A101 F138 L153 Y155 L164 | G99-A136 PolarHBondContact O-N 3.04Å; V100-A136 WeakPolarHBondContact CA-O 3.38Å; A101-A136 PolarHBondContact N-O 3.01Å; A136-F138 HydrophobicContact CB-CE2 3.95Å; A136-L153 WeakPolarHBondContact CA-O 3.44Å; A136-Y155 HydrophobicContact CB-CE2 4.09Å; A136-L164 HydrophobicContact CB-CD1 4.38Å |
| 137 | L | 83.9 | Confident | 75 | Confident | 4 Ų | 4 | 62.7 Ų | 62.7 | 2% | 0.021 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 118.5 | 178.6 | -62.4 | 178.2 | 0 | 0 | 0 | 110 | A101 W115 L135 L153 Y154 Y155 | A101-L137 HydrophobicContact CB-CD2 3.66Å; W115-L137 HydrophobicContact CB-CD2 4.16Å; W115-L137 HydrophobicContact CG-CD2 4.2Å; L135-L137 HydrophobicContact CD1-CD2 3.91Å; L135-L137 HydrophobicContact CD1-CG 4.47Å; L135-L137 HydrophobicContact CD2-CD1 4.34Å; L135-L137 HydrophobicContact CD2-CD2 4.06Å; L135-L137 HydrophobicContact CD2-CG 4.24Å; L135-L137 HydrophobicContact CG-CD2 3.92Å; L135-L137 HydrophobicContact CG-CG 3.99Å; L137-L153 PolarHBondContact N-O 2.98Å; L137-Y154 HydrophobicContact CB-CD1 4.31Å; L137-Y154 HydrophobicContact CD1-CD1 4.08Å; L137-Y154 HydrophobicContact CD1-CE1 3.68Å; L137-Y155 PolarHBondContact O-N 3.02Å |
| 138 | F | 82.5 | Confident | 73.4 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 0% | 0.004 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 151.9 | 176.4 | -71 | -93.3 | 0 | 0 | 0 | 111.5 | I50 V100 A101 F102 A103 A136 H140 Y155 L158 L164 | I50-F138 HydrophobicContact CD1-CD1 4.46Å; I50-F138 HydrophobicContact CD1-CD2 3.85Å; I50-F138 HydrophobicContact CD1-CE1 4.04Å; I50-F138 HydrophobicContact CD1-CE2 3.37Å; I50-F138 HydrophobicContact CD1-CG 4.38Å; I50-F138 HydrophobicContact CD1-CZ 3.48Å; I50-F138 VanDerWaalsContact CD1-CZ 3.48Å; I50-F138 HydrophobicContact CG1-CE2 4.47Å; I50-F138 HydrophobicContact CG1-CZ 4.18Å; V100-F138 HydrophobicContact CG1-CD2 4.15Å; V100-F138 HydrophobicContact CG1-CE2 4.06Å; A101-F138 PolarHBondContact O-N 2.82Å; F102-F138 HydrophobicContact CD1-CB 3.57Å; F102-F138 HydrophobicContact CD1-CD2 4.44Å; F102-F138 HydrophobicContact CD1-CG 4.16Å; F102-F138 HydrophobicContact CE1-CB 3.91Å; F102-F138 HydrophobicContact CE1-CD2 4.07Å; F102-F138 AromaticContact CE1-CG 3.99Å; F102-F138 HydrophobicContact CE1-CG 3.99Å; A103-F138 PolarHBondContact N-O 3Å; A136-F138 HydrophobicContact CB-CE2 3.95Å; F138-H140 PolarHBondContact O-N 2.91Å; F138-Y155 CarbonylContact C-O 3.55Å; F138-Y155 WeakPolarHBondContact CA-O 3.2Å; F138-Y155 HydrophobicContact CD1-CD2 4.13Å; F138-Y155 HydrophobicContact CD1-CG 4.28Å; F138-Y155 HydrophobicContact CD2-CD2 4.39Å; F138-Y155 AromaticContact CE1-CD2 3.68Å; F138-Y155 HydrophobicContact CE1-CD2 3.68Å; F138-Y155 AromaticContact CE1-CG 3.89Å; F138-Y155 HydrophobicContact CE1-CG 3.89Å; F138-Y155 AromaticContact CE2-CD2 3.95Å; F138-Y155 HydrophobicContact CE2-CD2 3.95Å; F138-Y155 HydrophobicContact CE2-CE2 4.37Å; F138-Y155 HydrophobicContact CG-CD2 4.46Å; F138-Y155 AromaticContact CZ-CD2 3.56Å; F138-Y155 HydrophobicContact CZ-CD2 3.56Å; F138-Y155 HydrophobicContact CZ-CE2 4.02Å; F138-Y155 HydrophobicContact CZ-CG 4.23Å; F138-L158 HydrophobicContact CD1-CD1 4.4Å; F138-L164 HydrophobicContact CZ-CD1 4.35Å; F138-L164 HydrophobicContact CZ-CD2 4.15Å |
| 139 | D | 74.7 | Confident | 72.1 | Confident | 33 Ų | 33 | 56.4 Ų | 56.4 | 18% | 0.176 | 33% | 0.326 | C | S | . | . | S | Bend | trans | 61.2 | 25 | 178.9 | -55.1 | -27.4 | 0 | 0 | 0 | 112.4 | Y42 A103 Y155 | Y42-D139 PolarHBondContact OH-OD2 2.92Å; A103-D139 WeakPolarHBondContact O-CB 3.41Å; D139-Y155 PolarHBondContact N-O 2.86Å |
| 140 | H | 68.4 | Low | 71.1 | Confident | 53 Ų | 53 | 62.4 Ų | 62.4 | 25% | 0.245 | 35% | 0.35 | C | S | . | . | trans | -128.9 | 129.5 | 177.6 | -165.1 | 58.5 | 0 | 0 | 0 | 110.4 | A103 F138 | A103-H140 HydrophobicContact CB-CB 3.91Å; F138-H140 PolarHBondContact O-N 2.91Å | ||
| 141 | S | 65.8 | Low | 70.4 | Confident | 81 Ų | 81 | 65.8 Ų | 65.8 | 57% | 0.566 | 36% | 0.362 | S | S | * | . | P | Polyproline II helix | trans | -84.9 | 135.9 | 168.9 | 55.2 | 0 | 0 | 0 | 0 | 109.7 | S143 | S141-S143 PolarHBondContact O-N 2.7Š|
| 142 | P | 61.8 | Low | 69.9 | Low | 75 Ų | 75 | 64.7 Ų | 64.7 | 49% | 0.487 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 134.6 | 176.2 | 24.7 | -32.6 | 0 | 0 | 0 | 110.1 | L144 Y154 | P142-L144 PolarHBondContact O-N 3.05Å; P142-Y154 HydrophobicContact CB-CD1 4.15Å; P142-Y154 HydrophobicContact CB-CD2 4.1Å; P142-Y154 HydrophobicContact CB-CE1 4.35Å; P142-Y154 HydrophobicContact CB-CE2 4.34Å; P142-Y154 HydrophobicContact CB-CG 4.03Å; P142-Y154 HydrophobicContact CG-CG 4.49Å |
| 143 | S | 59.4 | Low | 69.6 | Low | 52 Ų | 52 | 64.6 Ų | 64.6 | 36% | 0.364 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 123.8 | 172.5 | 59.6 | 0 | 0 | 0 | 0 | 108.8 | E112 S141 A145 | E112-S143 PolarHBondContact OE2-OG 3.13Å; S141-S143 PolarHBondContact O-N 2.7Å; S143-A145 PolarHBondContact O-N 2.92Å |
| 144 | L | 54.7 | Low | 69.1 | Low | 191 Ų | 191 | 66.3 Ų | 66.3 | 100% | 1 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -12 | -175.9 | -151.3 | 78.4 | 0 | 0 | 0 | 113.3 | P142 | P142-L144 PolarHBondContact O-N 3.05Š|
| 145 | A | 50 | Low | 68.6 | Low | 94 Ų | 94 | 64.3 Ų | 64.3 | 78% | 0.777 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | 2.5 | -166.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | S143 | S143-A145 PolarHBondContact O-N 2.92Š|
| 146 | R | 48 | Very low | 67.7 | Low | 153 Ų | 153 | 69.2 Ų | 69.2 | 58% | 0.577 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -135.6 | 142.1 | -179.7 | -78.8 | -178 | 168.8 | 166.7 | -4.3 | 112.4 | D113 S148 | D113-R146 IonicContact OD1-CZ 3.91Å; D113-R146 IonicContact OD1-NH1 3.51Å; D113-R146 PolarHBondContact OD1-NH1 2.78Å; D113-R146 IonicContact OD2-CZ 3.82Å; D113-R146 IonicContact OD2-NH1 3.75Å; D113-R146 PolarHBondContact OD2-NH1 2.79Å; D113-R146 IonicContact OD2-NH2 3.84Å; R146-S148 PolarHBondContact O-N 2.67Å |
| 147 | S | 47.2 | Very low | 66.8 | Low | 114 Ų | 114 | 71 Ų | 71 | 80% | 0.797 | 40% | 0.402 | S | S | * | . | trans | -53.1 | 108.5 | 163.4 | 55.1 | 0 | 0 | 0 | 0 | 107.4 | E149 | S147-E149 PolarHBondContact O-N 3.44Š| ||
| 148 | S | 48.9 | Very low | 66 | Low | 72 Ų | 72 | 71.8 Ų | 71.8 | 50% | 0.503 | 41% | 0.406 | S | S | . | . | trans | -43.2 | 111.5 | 166.3 | 166.6 | 0 | 0 | 0 | 0 | 108.1 | R146 E150 | R146-S148 PolarHBondContact O-N 2.67Å; S148-E150 PolarHBondContact O-N 3.28Å | ||
| 149 | E | 54.7 | Low | 65.1 | Low | 74 Ų | 74 | 76.8 Ų | 76.8 | 35% | 0.346 | 44% | 0.441 | S | S | . | . | trans | -54.7 | 130.9 | 166 | -72.5 | -162 | 171.1 | 0 | 0 | 106.2 | K120 S147 Y151 C152 | K120-E149 WeakPolarHBondContact CE-OE2 3.42Å; K120-E149 IonicContact NZ-OE1 3.53Å; K120-E149 PolarHBondContact NZ-OE1 2.84Å; K120-E149 IonicContact NZ-OE2 3.71Å; K120-E149 PolarHBondContact NZ-OE2 3.2Å; S147-E149 PolarHBondContact O-N 3.44Å; E149-Y151 HydrophobicContact CB-CD2 3.95Å; E149-Y151 HydrophobicContact CB-CE2 4.18Å; E149-Y151 PolarHBondContact O-N 3.05Å; E149-C152 PolarHBondContact O-N 3.3Å | ||
| 150 | E | 63.7 | Low | 64.6 | Low | 155 Ų | 155 | 76.6 Ų | 76.6 | 72% | 0.724 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -14.3 | -169.5 | -79.9 | -176.7 | 148.7 | 0 | 0 | 115 | R134 S148 | R134-E150 PolarHBondContact NH1-O 2.86Å; S148-E150 PolarHBondContact O-N 3.28Å |
| 151 | Y | 72.3 | Confident | 64.5 | Low | 99 Ų | 99 | 75.9 Ų | 75.9 | 39% | 0.388 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -13.7 | -175.1 | -26.8 | -73.5 | 0 | 0 | 0 | 114.3 | R134 L135 E149 | R134-Y151 CarbonylContact C-O 3.53Å; R134-Y151 WeakPolarHBondContact CA-O 3.42Å; L135-Y151 PolarHBondContact N-O 3.11Å; E149-Y151 HydrophobicContact CB-CD2 3.95Å; E149-Y151 HydrophobicContact CB-CE2 4.18Å; E149-Y151 PolarHBondContact O-N 3.05Å |
| 152 | C | 80.5 | Confident | 64.4 | Low | 10 Ų | 10 | 75.1 Ų | 75.1 | 7% | 0.068 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 134.1 | -174.6 | -71.2 | 0 | 0 | 0 | 0 | 112.9 | L135 E149 Y154 | L135-C152 CarbonylContact O-C 3.56Å; L135-C152 WeakPolarHBondContact O-CA 3.06Å; E149-C152 PolarHBondContact O-N 3.3Å; C152-Y154 HydrophobicContact CB-CE2 3.68Å |
| 153 | L | 83.7 | Confident | 65.2 | Low | 26 Ų | 26 | 73 Ų | 73 | 14% | 0.136 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 123.2 | 178 | -56.2 | 171.8 | 0 | 0 | 0 | 108.8 | R134 L135 A136 L137 Y155 D167 | R134-L153 HydrophobicContact CB-CD1 4.14Å; L135-L153 PolarHBondContact O-N 3.46Å; A136-L153 WeakPolarHBondContact CA-O 3.44Å; L137-L153 PolarHBondContact N-O 2.98Å; L153-Y155 HydrophobicContact CB-CE2 3.91Å; L153-D167 HydrophobicContact CD1-CB 3.69Å; L153-D167 HydrophobicContact CD2-CB 3.92Å; L153-D167 HydrophobicContact CG-CB 4.4Å |
| 154 | Y | 80.9 | Confident | 66.4 | Low | 47 Ų | 47 | 70.8 Ų | 70.8 | 18% | 0.184 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 131.9 | -174.5 | -55.8 | -97.1 | 0 | 0 | 0 | 111.2 | E112 L137 P142 C152 | E112-Y154 PolarHBondContact OE1-OH 3Å; L137-Y154 HydrophobicContact CB-CD1 4.31Å; L137-Y154 HydrophobicContact CD1-CD1 4.08Å; L137-Y154 HydrophobicContact CD1-CE1 3.68Å; P142-Y154 HydrophobicContact CB-CD1 4.15Å; P142-Y154 HydrophobicContact CB-CD2 4.1Å; P142-Y154 HydrophobicContact CB-CE1 4.35Å; P142-Y154 HydrophobicContact CB-CE2 4.34Å; P142-Y154 HydrophobicContact CB-CG 4.03Å; P142-Y154 HydrophobicContact CG-CG 4.49Å; C152-Y154 HydrophobicContact CB-CE2 3.68Å |
| 155 | Y | 81.6 | Confident | 67.8 | Low | 15 Ų | 15 | 63.9 Ų | 63.9 | 6% | 0.059 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 119.6 | 176.3 | -52.4 | -76.3 | 0 | 0 | 0 | 110.4 | A136 L137 F138 D139 L153 A157 L164 D167 | A136-Y155 HydrophobicContact CB-CE2 4.09Å; L137-Y155 PolarHBondContact O-N 3.02Å; F138-Y155 CarbonylContact C-O 3.55Å; F138-Y155 WeakPolarHBondContact CA-O 3.2Å; F138-Y155 HydrophobicContact CD1-CD2 4.13Å; F138-Y155 HydrophobicContact CD1-CG 4.28Å; F138-Y155 HydrophobicContact CD2-CD2 4.39Å; F138-Y155 AromaticContact CE1-CD2 3.68Å; F138-Y155 HydrophobicContact CE1-CD2 3.68Å; F138-Y155 AromaticContact CE1-CG 3.89Å; F138-Y155 HydrophobicContact CE1-CG 3.89Å; F138-Y155 AromaticContact CE2-CD2 3.95Å; F138-Y155 HydrophobicContact CE2-CD2 3.95Å; F138-Y155 HydrophobicContact CE2-CE2 4.37Å; F138-Y155 HydrophobicContact CG-CD2 4.46Å; F138-Y155 AromaticContact CZ-CD2 3.56Å; F138-Y155 HydrophobicContact CZ-CD2 3.56Å; F138-Y155 HydrophobicContact CZ-CE2 4.02Å; F138-Y155 HydrophobicContact CZ-CG 4.23Å; D139-Y155 PolarHBondContact N-O 2.86Å; L153-Y155 HydrophobicContact CB-CE2 3.91Å; Y155-A157 PolarHBondContact O-N 3.09Å; Y155-L164 HydrophobicContact CE1-CB 4.12Å; Y155-L164 HydrophobicContact CE2-CB 4.41Å; Y155-L164 HydrophobicContact CE2-CD1 3.76Å; Y155-L164 WeakPolarHBondContact OH-CA 3.47Å; Y155-D167 WeakPolarHBondContact CE1-OD2 3.48Å; Y155-D167 PolarHBondContact OH-OD2 3.33Å |
| 156 | C | 70.5 | Confident | 69.5 | Low | 104 Ų | 104 | 63.3 Ų | 63.3 | 70% | 0.703 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -63.9 | -23.8 | -178.6 | -57.8 | 0 | 0 | 0 | 0 | 113.8 | ||
| 157 | A | 69.4 | Low | 71.4 | Confident | 37 Ų | 37 | 58.6 Ų | 58.6 | 31% | 0.306 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -156.4 | 159.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y155 S159 G160 | Y155-A157 PolarHBondContact O-N 3.09Å; A157-S159 PolarHBondContact O-N 3.48Å; A157-S159 VanDerWaalsContact O-N 3.12Å; A157-G160 PolarHBondContact O-N 2.98Å; A157-G160 VanDerWaalsContact O-N 3.14Å |
| 158 | L | 66.7 | Low | 73.4 | Confident | 22 Ų | 22 | 53.3 Ų | 53.3 | 12% | 0.115 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -58.1 | -23.5 | 174.2 | -118.8 | 90.3 | 0 | 0 | 0 | 114.3 | N46 F102 F138 G160 Y161 | N46-L158 HydrophobicContact CB-CD1 3.85Å; N46-L158 HydrophobicContact CB-CD2 3.91Å; N46-L158 HydrophobicContact CB-CG 4.48Å; N46-L158 WeakPolarHBondContact OD1-CD2 3.43Å; F102-L158 HydrophobicContact CD1-CD1 4.26Å; F102-L158 HydrophobicContact CE1-CD1 3.86Å; F138-L158 HydrophobicContact CD1-CD1 4.4Å; L158-G160 PolarHBondContact O-N 2.87Å; L158-Y161 WeakPolarHBondContact CD2-OH 3.46Å; L158-Y161 WeakPolarHBondContact O-CD2 3.12Å; L158-Y161 WeakPolarHBondContact O-CE2 3.41Å |
| 159 | S | 64.7 | Low | 75.3 | Confident | 105 Ų | 105 | 53.5 Ų | 53.5 | 73% | 0.734 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -66.6 | -15.6 | 178.5 | 51.2 | 0 | 0 | 0 | 0 | 113.3 | A157 Y161 | A157-S159 PolarHBondContact O-N 3.48Å; A157-S159 VanDerWaalsContact O-N 3.12Å; S159-Y161 PolarHBondContact O-N 2.81Å |
| 160 | G | 64 | Low | 77 | Confident | 30 Ų | 30 | 53.8 Ų | 53.8 | 31% | 0.309 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -69.7 | 20.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | A157 L158 A162 G163 L164 | A157-G160 PolarHBondContact O-N 2.98Å; A157-G160 VanDerWaalsContact O-N 3.14Å; L158-G160 PolarHBondContact O-N 2.87Å; G160-A162 PolarHBondContact O-N 2.81Å; G160-A162 VanDerWaalsContact O-N 3.08Å; G160-G163 PolarHBondContact O-N 2.77Å; G160-L164 PolarHBondContact O-N 2.86Å |
| 161 | Y | 66.2 | Low | 78.4 | Confident | 37 Ų | 37 | 46.5 Ų | 46.5 | 15% | 0.145 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -54.2 | -32.1 | -174.6 | -68.3 | -74.5 | 0 | 0 | 0 | 115 | I50 R53 L158 S159 G163 L164 E165 | I50-Y161 HydrophobicContact CG1-CE1 4.44Å; R53-Y161 VanDerWaalsContact CD-CD1 3.47Å; R53-Y161 HydrophobicContact CG-CD1 4.13Å; R53-Y161 VanDerWaalsContact CZ-CG 3.49Å; L158-Y161 WeakPolarHBondContact CD2-OH 3.46Å; L158-Y161 WeakPolarHBondContact O-CD2 3.12Å; L158-Y161 WeakPolarHBondContact O-CE2 3.41Å; S159-Y161 PolarHBondContact O-N 2.81Å; Y161-G163 VanDerWaalsContact C-N 3.28Å; Y161-G163 PolarHBondContact O-N 2.87Å; Y161-L164 PolarHBondContact O-N 3.02Å; Y161-E165 WeakPolarHBondContact O-CG 3.26Å; Y161-E165 PolarHBondContact O-N 3.35Å |
| 162 | A | 64 | Low | 79.3 | Confident | 66 Ų | 66 | 41.8 Ų | 41.8 | 55% | 0.545 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.5 | -34.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | G160 N166 | G160-A162 PolarHBondContact O-N 2.81Å; G160-A162 VanDerWaalsContact O-N 3.08Å; A162-N166 PolarHBondContact O-N 3.43Å; A162-N166 PolarHBondContact O-ND2 3.19Å |
| 163 | G | 77.9 | Confident | 79.8 | Confident | 30 Ų | 30 | 44.8 Ų | 44.8 | 31% | 0.309 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.6 | -51.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | G160 Y161 E165 N166 D167 | G160-G163 PolarHBondContact O-N 2.77Å; Y161-G163 VanDerWaalsContact C-N 3.28Å; Y161-G163 PolarHBondContact O-N 2.87Å; G163-E165 VanDerWaalsContact C-N 3.31Å; G163-E165 PolarHBondContact O-N 3.22Å; G163-N166 PolarHBondContact O-N 2.91Å; G163-D167 VanDerWaalsContact O-CG 3.31Å; G163-D167 PolarHBondContact O-N 3.05Å |
| 164 | L | 83.9 | Confident | 80.1 | Confident | 5 Ų | 5 | 45 Ų | 45 | 3% | 0.026 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -53.6 | -45.4 | 178.2 | -179.3 | 71.8 | 0 | 0 | 0 | 113.1 | I50 A136 F138 Y155 G160 Y161 N166 D167 V168 | I50-L164 HydrophobicContact CG2-CD2 3.92Å; A136-L164 HydrophobicContact CB-CD1 4.38Å; F138-L164 HydrophobicContact CZ-CD1 4.35Å; F138-L164 HydrophobicContact CZ-CD2 4.15Å; Y155-L164 HydrophobicContact CE1-CB 4.12Å; Y155-L164 HydrophobicContact CE2-CB 4.41Å; Y155-L164 HydrophobicContact CE2-CD1 3.76Å; Y155-L164 WeakPolarHBondContact OH-CA 3.47Å; G160-L164 PolarHBondContact O-N 2.86Å; Y161-L164 PolarHBondContact O-N 3.02Å; L164-N166 VanDerWaalsContact C-N 3.29Å; L164-N166 PolarHBondContact O-N 2.84Å; L164-D167 PolarHBondContact O-N 3.2Å; L164-V168 HydrophobicContact CD1-CG2 4.12Å; L164-V168 HydrophobicContact CG-CG2 4.27Å; L164-V168 VanDerWaalsContact O-CB 3.31Å; L164-V168 WeakPolarHBondContact O-CB 3.41Å; L164-V168 WeakPolarHBondContact O-CG2 3.23Å; L164-V168 PolarHBondContact O-N 3.2Å |
| 165 | E | 84.9 | Confident | 80.7 | Confident | 47 Ų | 47 | 42.8 Ų | 42.8 | 22% | 0.22 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.1 | -35.4 | 179.2 | -74.3 | 174.7 | -155.7 | 0 | 0 | 112.5 | R53 M57 Y161 G163 K169 | R53-E165 IonicContact CZ-OE1 2.68Å; R53-E165 VanDerWaalsContact CZ-OE1 3.24Å; R53-E165 IonicContact NE-OE1 2.8Å; R53-E165 PolarHBondContact NE-OE1 3.01Å; R53-E165 IonicContact NH2-OE1 3.65Å; R53-E165 PolarHBondContact NH2-OE1 3.11Å; M57-E165 HydrophobicContact CE-CB 4.3Å; M57-E165 WeakPolarHBondContact CE-O 3.28Å; M57-E165 HydrophobicContact SD-CB 4.44Å; M57-E165 HydrophobicContact SD-CG 4.12Å; Y161-E165 WeakPolarHBondContact O-CG 3.26Å; Y161-E165 PolarHBondContact O-N 3.35Å; G163-E165 VanDerWaalsContact C-N 3.31Å; G163-E165 PolarHBondContact O-N 3.22Å; E165-K169 WeakPolarHBondContact O-CG 3.37Å; E165-K169 PolarHBondContact O-N 2.79Å |
| 166 | N | 85.5 | Confident | 81.2 | Confident | 81 Ų | 81 | 42.2 Ų | 42.2 | 43% | 0.433 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -73.5 | -44 | 177.6 | -68.6 | -25.5 | 0 | 0 | 0 | 111.4 | A162 G163 L164 V168 K169 D170 | A162-N166 PolarHBondContact O-N 3.43Å; A162-N166 PolarHBondContact O-ND2 3.19Å; G163-N166 PolarHBondContact O-N 2.91Å; L164-N166 VanDerWaalsContact C-N 3.29Å; L164-N166 PolarHBondContact O-N 2.84Å; N166-V168 VanDerWaalsContact C-N 3.27Å; N166-V168 PolarHBondContact O-N 2.83Å; N166-K169 WeakPolarHBondContact O-CB 3.26Å; N166-K169 PolarHBondContact O-N 2.84Å; N166-K169 PolarHBondContact OD1-NZ 2.7Å; N166-D170 PolarHBondContact O-N 2.78Å |
| 167 | D | 88 | Confident | 82.1 | Confident | 54 Ų | 54 | 44.3 Ų | 44.3 | 29% | 0.289 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.1 | -38 | 176.5 | -59.7 | -35.2 | 0 | 0 | 0 | 111.3 | L153 Y155 G163 L164 D170 F171 | L153-D167 HydrophobicContact CD1-CB 3.69Å; L153-D167 HydrophobicContact CD2-CB 3.92Å; L153-D167 HydrophobicContact CG-CB 4.4Å; Y155-D167 WeakPolarHBondContact CE1-OD2 3.48Å; Y155-D167 PolarHBondContact OH-OD2 3.33Å; G163-D167 VanDerWaalsContact O-CG 3.31Å; G163-D167 PolarHBondContact O-N 3.05Å; L164-D167 PolarHBondContact O-N 3.2Å; D167-D170 PolarHBondContact O-N 2.82Å; D167-F171 WeakPolarHBondContact O-CB 2.99Å; D167-F171 PolarHBondContact O-N 2.92Å |
| 168 | V | 89.7 | Confident | 83.1 | Confident | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.024 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.8 | -35.2 | 174.3 | 171.7 | 0 | 0 | 0 | 0 | 111.8 | L54 M57 F74 I98 L164 N166 D170 V172 | L54-V168 HydrophobicContact CD2-CB 4.36Å; L54-V168 HydrophobicContact CD2-CG1 4.05Å; L54-V168 HydrophobicContact CD2-CG2 3.68Å; M57-V168 HydrophobicContact CE-CB 4.22Å; M57-V168 HydrophobicContact CE-CG1 3.92Å; M57-V168 HydrophobicContact SD-CB 4.33Å; M57-V168 HydrophobicContact SD-CG1 3.91Å; F74-V168 HydrophobicContact CE1-CG1 4.13Å; F74-V168 HydrophobicContact CZ-CG1 3.8Å; I98-V168 HydrophobicContact CD1-CG2 4.43Å; L164-V168 HydrophobicContact CD1-CG2 4.12Å; L164-V168 HydrophobicContact CG-CG2 4.27Å; L164-V168 VanDerWaalsContact O-CB 3.31Å; L164-V168 WeakPolarHBondContact O-CB 3.41Å; L164-V168 WeakPolarHBondContact O-CG2 3.23Å; L164-V168 PolarHBondContact O-N 3.2Å; N166-V168 VanDerWaalsContact C-N 3.27Å; N166-V168 PolarHBondContact O-N 2.83Å; V168-D170 VanDerWaalsContact C-N 3.34Å; V168-V172 HydrophobicContact CG1-CG2 4.5Å; V168-V172 WeakPolarHBondContact O-CB 3.08Å; V168-V172 VanDerWaalsContact O-CG2 3.31Å; V168-V172 WeakPolarHBondContact O-CG2 3.47Å; V168-V172 PolarHBondContact O-N 2.85Å |
| 169 | K | 89.3 | Confident | 84.2 | Confident | 75 Ų | 75 | 44.1 Ų | 44.1 | 33% | 0.326 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.9 | -42.9 | 172.4 | -74.3 | 166.6 | -167.5 | 163.8 | 0 | 110.9 | M57 I60 E165 N166 V172 K173 | M57-K169 HydrophobicContact CE-CG 3.88Å; I60-K169 HydrophobicContact CD1-CG 4.33Å; I60-K169 HydrophobicContact CG2-CB 4.21Å; I60-K169 HydrophobicContact CG2-CG 3.93Å; E165-K169 WeakPolarHBondContact O-CG 3.37Å; E165-K169 PolarHBondContact O-N 2.79Å; N166-K169 WeakPolarHBondContact O-CB 3.26Å; N166-K169 PolarHBondContact O-N 2.84Å; N166-K169 PolarHBondContact OD1-NZ 2.7Å; K169-V172 PolarHBondContact O-N 2.79Å; K169-K173 WeakPolarHBondContact O-CG 3.45Å; K169-K173 PolarHBondContact O-N 3.39Å |
| 170 | D | 89.1 | Confident | 85.4 | Confident | 81 Ų | 81 | 40 Ų | 40 | 43% | 0.433 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -69.7 | -38.7 | 179.3 | -70.2 | -19.2 | 0 | 0 | 0 | 112.1 | N166 D167 V168 V172 K173 S174 | N166-D170 PolarHBondContact O-N 2.78Å; D167-D170 PolarHBondContact O-N 2.82Å; V168-D170 VanDerWaalsContact C-N 3.34Å; D170-V172 VanDerWaalsContact C-N 3.34Å; D170-V172 PolarHBondContact O-N 3.24Å; D170-K173 WeakPolarHBondContact O-CB 3.25Å; D170-K173 PolarHBondContact O-N 3.17Å; D170-K173 IonicContact OD1-NZ 3.03Å; D170-K173 PolarHBondContact OD1-NZ 3.06Å; D170-S174 PolarHBondContact O-N 2.85Å |
| 171 | F | 92.6 | Very high | 86.5 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.009 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.3 | -44 | 167.1 | 169 | -110.1 | 0 | 0 | 0 | 112.3 | V27 I98 D132 R134 D167 K173 S174 L175 | V27-F171 HydrophobicContact CG1-CE1 3.82Å; V27-F171 HydrophobicContact CG1-CZ 4.29Å; V27-F171 HydrophobicContact CG2-CE1 4.19Å; I98-F171 HydrophobicContact CD1-CD1 4.1Å; I98-F171 HydrophobicContact CD1-CE1 3.89Å; I98-F171 HydrophobicContact CG1-CD1 4.41Å; I98-F171 HydrophobicContact CG1-CE1 3.91Å; I98-F171 HydrophobicContact CG1-CZ 4.2Å; D132-F171 HydrophobicContact CB-CD2 4.06Å; D132-F171 HydrophobicContact CB-CE2 3.72Å; D132-F171 WeakPolarHBondContact OD2-CD2 3.32Å; R134-F171 HydrophobicContact CG-CB 4.11Å; R134-F171 HydrophobicContact CG-CD2 3.41Å; R134-F171 VanDerWaalsContact CG-CD2 3.41Å; R134-F171 HydrophobicContact CG-CE2 3.99Å; R134-F171 HydrophobicContact CG-CG 3.91Å; D167-F171 WeakPolarHBondContact O-CB 2.99Å; D167-F171 PolarHBondContact O-N 2.92Å; F171-K173 VanDerWaalsContact C-N 3.31Å; F171-K173 PolarHBondContact O-N 2.95Å; F171-S174 PolarHBondContact O-N 2.78Å; F171-S174 PolarHBondContact O-OG 3.37Å; F171-L175 HydrophobicContact CD1-CD1 4.42Å; F171-L175 HydrophobicContact CE1-CD1 3.83Å; F171-L175 HydrophobicContact CE2-CD1 4.41Å; F171-L175 HydrophobicContact CE2-CD2 4.37Å; F171-L175 HydrophobicContact CE2-CG 4.42Å; F171-L175 HydrophobicContact CZ-CD1 3.85Å; F171-L175 HydrophobicContact CZ-CD2 4.41Å; F171-L175 HydrophobicContact CZ-CG 4.34Å; F171-L175 WeakPolarHBondContact O-CG 3.3Å; F171-L175 PolarHBondContact O-N 2.86Å |
| 172 | V | 91.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69.1 | -30.9 | 177.8 | 170.3 | 0 | 0 | 0 | 0 | 112 | I25 I60 V62 L70 P72 V168 K169 D170 L175 F176 | I25-V172 HydrophobicContact CD1-CG1 4.26Å; I60-V172 HydrophobicContact CB-CG1 4.28Å; I60-V172 HydrophobicContact CD1-CB 3.93Å; I60-V172 HydrophobicContact CD1-CG1 4.07Å; I60-V172 HydrophobicContact CD1-CG2 3.82Å; I60-V172 HydrophobicContact CG2-CG1 4.32Å; V62-V172 HydrophobicContact CG1-CG1 4.13Å; L70-V172 HydrophobicContact CB-CG1 4.1Å; L70-V172 HydrophobicContact CD2-CG1 3.81Å; P72-V172 HydrophobicContact CB-CG2 4.2Å; P72-V172 HydrophobicContact CG-CG2 4.38Å; V168-V172 HydrophobicContact CG1-CG2 4.5Å; V168-V172 WeakPolarHBondContact O-CB 3.08Å; V168-V172 VanDerWaalsContact O-CG2 3.31Å; V168-V172 WeakPolarHBondContact O-CG2 3.47Å; V168-V172 PolarHBondContact O-N 2.85Å; K169-V172 PolarHBondContact O-N 2.79Å; D170-V172 VanDerWaalsContact C-N 3.34Å; D170-V172 PolarHBondContact O-N 3.24Å; V172-L175 PolarHBondContact O-N 2.74Å; V172-F176 PolarHBondContact O-N 2.96Å |
| 173 | K | 90.4 | Very high | 88.6 | Confident | 73 Ų | 73 | 44.4 Ų | 44.4 | 32% | 0.317 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.9 | -38.9 | 171.4 | -70.6 | 171.8 | -166.2 | 160.2 | 0 | 112.1 | V62 K169 D170 F171 L175 F176 W177 | V62-K173 HydrophobicContact CB-CG 4.08Å; V62-K173 HydrophobicContact CG1-CG 3.98Å; K169-K173 WeakPolarHBondContact O-CG 3.45Å; K169-K173 PolarHBondContact O-N 3.39Å; D170-K173 WeakPolarHBondContact O-CB 3.25Å; D170-K173 PolarHBondContact O-N 3.17Å; D170-K173 IonicContact OD1-NZ 3.03Å; D170-K173 PolarHBondContact OD1-NZ 3.06Å; F171-K173 VanDerWaalsContact C-N 3.31Å; F171-K173 PolarHBondContact O-N 2.95Å; K173-L175 VanDerWaalsContact C-N 3.34Å; K173-L175 PolarHBondContact O-N 2.87Å; K173-F176 WeakPolarHBondContact O-CB 3.48Å; K173-F176 PolarHBondContact O-N 3.11Å; K173-W177 PolarHBondContact O-N 2.95Å |
| 174 | S | 91.7 | Very high | 88.9 | Confident | 30 Ų | 30 | 48.3 Ų | 48.3 | 21% | 0.21 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.1 | -43.9 | 176.7 | 76.1 | 0 | 0 | 0 | 0 | 110.9 | D132 D170 F171 F176 W177 V178 | D132-S174 WeakPolarHBondContact CB-OG 3.4Å; D132-S174 WeakPolarHBondContact OD2-CB 3.35Å; D132-S174 PolarHBondContact OD2-OG 2.97Å; D170-S174 PolarHBondContact O-N 2.85Å; F171-S174 PolarHBondContact O-N 2.78Å; F171-S174 PolarHBondContact O-OG 3.37Å; S174-F176 VanDerWaalsContact C-N 3.32Å; S174-F176 PolarHBondContact O-N 3.35Å; S174-W177 PolarHBondContact O-N 2.92Å; S174-V178 WeakPolarHBondContact O-CG2 3.45Å; S174-V178 PolarHBondContact O-N 3.04Å |
| 175 | L | 93.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.1 | -43.3 | 174.1 | -60.2 | 179.9 | 0 | 0 | 0 | 111.5 | I25 V27 L95 L131 D132 F171 V172 K173 V178 L179 | I25-L175 HydrophobicContact CD1-CB 4.3Å; I25-L175 HydrophobicContact CD1-CD1 3.79Å; V27-L175 HydrophobicContact CG2-CD1 4.16Å; L95-L175 VanDerWaalsContact O-CD2 3.32Å; L95-L175 WeakPolarHBondContact O-CD2 3.5Å; L131-L175 HydrophobicContact CB-CD2 3.7Å; D132-L175 HydrophobicContact CB-CD2 3.69Å; D132-L175 HydrophobicContact CB-CG 4.49Å; F171-L175 HydrophobicContact CD1-CD1 4.42Å; F171-L175 HydrophobicContact CE1-CD1 3.83Å; F171-L175 HydrophobicContact CE2-CD1 4.41Å; F171-L175 HydrophobicContact CE2-CD2 4.37Å; F171-L175 HydrophobicContact CE2-CG 4.42Å; F171-L175 HydrophobicContact CZ-CD1 3.85Å; F171-L175 HydrophobicContact CZ-CD2 4.41Å; F171-L175 HydrophobicContact CZ-CG 4.34Å; F171-L175 WeakPolarHBondContact O-CG 3.3Å; F171-L175 PolarHBondContact O-N 2.86Å; V172-L175 PolarHBondContact O-N 2.74Å; K173-L175 VanDerWaalsContact C-N 3.34Å; K173-L175 PolarHBondContact O-N 2.87Å; L175-V178 PolarHBondContact O-N 2.7Å; L175-L179 WeakPolarHBondContact O-CG 3.32Å; L175-L179 PolarHBondContact O-N 3.49Å |
| 176 | F | 92 | Very high | 87.4 | Confident | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.018 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.5 | -51 | 177.1 | 169.6 | -107 | 0 | 0 | 0 | 112.2 | V62 R68 L70 V172 K173 S174 V178 L179 E180 T235 | V62-F176 HydrophobicContact CB-CB 4.13Å; V62-F176 HydrophobicContact CB-CD1 4.04Å; V62-F176 HydrophobicContact CB-CG 3.97Å; V62-F176 HydrophobicContact CG1-CB 4.21Å; V62-F176 HydrophobicContact CG2-CB 4.1Å; V62-F176 HydrophobicContact CG2-CD1 3.8Å; V62-F176 HydrophobicContact CG2-CD2 3.61Å; V62-F176 HydrophobicContact CG2-CE1 4.09Å; V62-F176 HydrophobicContact CG2-CE2 3.88Å; V62-F176 HydrophobicContact CG2-CG 3.54Å; V62-F176 HydrophobicContact CG2-CZ 4.12Å; R68-F176 HydrophobicContact CB-CE2 4.24Å; R68-F176 HydrophobicContact CB-CZ 4.23Å; R68-F176 HydrophobicContact CG-CE2 4.29Å; R68-F176 HydrophobicContact CG-CZ 4.04Å; L70-F176 HydrophobicContact CD1-CB 4.4Å; L70-F176 HydrophobicContact CD1-CD2 3.51Å; L70-F176 HydrophobicContact CD1-CE2 4.22Å; L70-F176 HydrophobicContact CD1-CG 4.34Å; L70-F176 HydrophobicContact CD2-CB 3.87Å; L70-F176 HydrophobicContact CD2-CD2 4.49Å; V172-F176 PolarHBondContact O-N 2.96Å; K173-F176 WeakPolarHBondContact O-CB 3.48Å; K173-F176 PolarHBondContact O-N 3.11Å; S174-F176 VanDerWaalsContact C-N 3.32Å; S174-F176 PolarHBondContact O-N 3.35Å; F176-V178 VanDerWaalsContact C-N 3.3Å; F176-V178 PolarHBondContact O-N 3.39Å; F176-L179 PolarHBondContact O-N 3.08Å; F176-E180 HydrophobicContact CE2-CB 4.44Å; F176-E180 HydrophobicContact CZ-CB 4.34Å; F176-E180 HydrophobicContact CZ-CG 4.29Å; F176-E180 VanDerWaalsContact O-CB 3.3Å; F176-E180 WeakPolarHBondContact O-CB 3.25Å; F176-E180 PolarHBondContact O-N 3.25Å; F176-T235 HydrophobicContact CD2-CG2 4.17Å; F176-T235 HydrophobicContact CE2-CG2 4.25Å |
| 177 | W | 88.9 | Confident | 86.2 | Confident | 148 Ų | 148 | 49.4 Ų | 49.4 | 56% | 0.561 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -64.3 | -35.2 | -176.1 | -71 | 120.1 | 0 | 0 | 0 | 112.8 | K173 S174 S181 | K173-W177 PolarHBondContact O-N 2.95Å; S174-W177 PolarHBondContact O-N 2.92Å; W177-S181 VanDerWaalsContact O-CB 3.26Å; W177-S181 WeakPolarHBondContact O-CB 3.47Å; W177-S181 PolarHBondContact O-N 2.88Å |
| 178 | V | 89.9 | Confident | 85.1 | Confident | 54 Ų | 54 | 47.4 Ų | 47.4 | 33% | 0.327 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -68.2 | -43 | 174.3 | -180 | 0 | 0 | 0 | 0 | 111.2 | L131 S174 L175 F176 S181 R182 | L131-V178 HydrophobicContact CB-CB 4.41Å; L131-V178 HydrophobicContact CB-CG1 4.22Å; L131-V178 HydrophobicContact CD1-CB 4.21Å; L131-V178 HydrophobicContact CD1-CG1 4.03Å; L131-V178 HydrophobicContact CD2-CG1 3.87Å; L131-V178 HydrophobicContact CG-CG1 4.27Å; S174-V178 WeakPolarHBondContact O-CG2 3.45Å; S174-V178 PolarHBondContact O-N 3.04Å; L175-V178 PolarHBondContact O-N 2.7Å; F176-V178 VanDerWaalsContact C-N 3.3Å; F176-V178 PolarHBondContact O-N 3.39Å; V178-S181 PolarHBondContact O-N 3.07Å; V178-R182 WeakPolarHBondContact O-CG 3.34Å; V178-R182 PolarHBondContact O-N 3.05Å |
| 179 | L | 90.4 | Very high | 83.8 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.8 | -41.8 | 176 | -72.8 | 174.6 | 0 | 0 | 0 | 112.3 | I25 L95 L131 L175 F176 S181 R182 R183 Y231 T235 | I25-L179 HydrophobicContact CG2-CD1 3.76Å; L95-L179 HydrophobicContact CD1-CD1 3.99Å; L95-L179 HydrophobicContact CD1-CD2 3.93Å; L95-L179 HydrophobicContact CD1-CG 4.44Å; L131-L179 HydrophobicContact CD1-CD2 3.77Å; L131-L179 HydrophobicContact CD1-CG 3.75Å; L175-L179 WeakPolarHBondContact O-CG 3.32Å; L175-L179 PolarHBondContact O-N 3.49Å; F176-L179 PolarHBondContact O-N 3.08Å; L179-S181 VanDerWaalsContact C-N 3.34Å; L179-R182 PolarHBondContact O-N 2.87Å; L179-R183 WeakPolarHBondContact O-CB 3.33Å; L179-R183 PolarHBondContact O-N 3.4Å; L179-Y231 HydrophobicContact CD2-CD1 3.73Å; L179-Y231 HydrophobicContact CD2-CE1 3.98Å; L179-T235 HydrophobicContact CB-CG2 3.78Å |
| 180 | E | 89.7 | Confident | 82.5 | Confident | 20 Ų | 20 | 58.6 Ų | 58.6 | 9% | 0.093 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.8 | -39 | 177.9 | -171.7 | 68.9 | 174.3 | 0 | 0 | 111.1 | F176 R183 L184 T235 | F176-E180 HydrophobicContact CE2-CB 4.44Å; F176-E180 HydrophobicContact CZ-CB 4.34Å; F176-E180 HydrophobicContact CZ-CG 4.29Å; F176-E180 VanDerWaalsContact O-CB 3.3Å; F176-E180 WeakPolarHBondContact O-CB 3.25Å; F176-E180 PolarHBondContact O-N 3.25Å; E180-R183 VanDerWaalsContact CD-NE 3.34Å; E180-R183 WeakPolarHBondContact O-CB 3.28Å; E180-R183 PolarHBondContact O-N 3.33Å; E180-R183 IonicContact OE1-CZ 3.86Å; E180-R183 IonicContact OE1-NE 3.81Å; E180-R183 PolarHBondContact OE1-NE 3.35Å; E180-R183 IonicContact OE1-NH2 3.27Å; E180-R183 PolarHBondContact OE1-NH2 2.8Å; E180-R183 IonicContact OE2-CZ 3.22Å; E180-R183 IonicContact OE2-NE 3.76Å; E180-R183 PolarHBondContact OE2-NE 3.32Å; E180-R183 IonicContact OE2-NH2 3.25Å; E180-L184 HydrophobicContact CG-CD1 4.38Å; E180-L184 WeakPolarHBondContact O-CG 3.42Å; E180-L184 PolarHBondContact O-N 3.36Å; E180-T235 PolarHBondContact OE2-OG1 2.97Å |
| 181 | S | 87.1 | Confident | 81.1 | Confident | 79 Ų | 79 | 59 Ų | 59 | 55% | 0.552 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -60.7 | -44.1 | 170.6 | 177.5 | 0 | 0 | 0 | 0 | 112 | W177 V178 L179 R183 L184 G185 | W177-S181 VanDerWaalsContact O-CB 3.26Å; W177-S181 WeakPolarHBondContact O-CB 3.47Å; W177-S181 PolarHBondContact O-N 2.88Å; V178-S181 PolarHBondContact O-N 3.07Å; L179-S181 VanDerWaalsContact C-N 3.34Å; S181-R183 VanDerWaalsContact C-N 3.31Å; S181-R183 PolarHBondContact O-N 3.11Å; S181-L184 PolarHBondContact O-N 3.41Å; S181-G185 PolarHBondContact O-N 2.84Å |
| 182 | R | 87.4 | Confident | 79.5 | Confident | 98 Ų | 98 | 67.8 Ų | 67.8 | 37% | 0.37 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.5 | -31.6 | 175 | -72.1 | 179.3 | -178.3 | -166 | 1.3 | 113.3 | V178 L179 Y231 | V178-R182 WeakPolarHBondContact O-CG 3.34Å; V178-R182 PolarHBondContact O-N 3.05Å; L179-R182 PolarHBondContact O-N 2.87Å; R182-Y231 HydrophobicContact CB-CD2 4.27Å; R182-Y231 HydrophobicContact CB-CE2 4.28Å |
| 183 | R | 87.8 | Confident | 78 | Confident | 47 Ų | 47 | 74.6 Ų | 74.6 | 18% | 0.177 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -68.4 | -40.8 | 175.1 | -171.4 | -169.8 | 66.2 | 69.9 | -1.3 | 111.6 | L179 E180 S181 I228 T232 | L179-R183 WeakPolarHBondContact O-CB 3.33Å; L179-R183 PolarHBondContact O-N 3.4Å; E180-R183 VanDerWaalsContact CD-NE 3.34Å; E180-R183 WeakPolarHBondContact O-CB 3.28Å; E180-R183 PolarHBondContact O-N 3.33Å; E180-R183 IonicContact OE1-CZ 3.86Å; E180-R183 IonicContact OE1-NE 3.81Å; E180-R183 PolarHBondContact OE1-NE 3.35Å; E180-R183 IonicContact OE1-NH2 3.27Å; E180-R183 PolarHBondContact OE1-NH2 2.8Å; E180-R183 IonicContact OE2-CZ 3.22Å; E180-R183 IonicContact OE2-NE 3.76Å; E180-R183 PolarHBondContact OE2-NE 3.32Å; E180-R183 IonicContact OE2-NH2 3.25Å; S181-R183 VanDerWaalsContact C-N 3.31Å; S181-R183 PolarHBondContact O-N 3.11Å; R183-I228 HydrophobicContact CG-CG2 4.49Å; R183-T232 WeakPolarHBondContact CD-OG1 3.34Å; R183-T232 WeakPolarHBondContact CG-OG1 3.35Å |
| 184 | L | 83.7 | Confident | 76.7 | Confident | 112 Ų | 112 | 72.5 Ų | 72.5 | 59% | 0.586 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -84.3 | -32.1 | -178.1 | -70.5 | 173.1 | 0 | 0 | 0 | 113.4 | E180 S181 V186 | E180-L184 HydrophobicContact CG-CD1 4.38Å; E180-L184 WeakPolarHBondContact O-CG 3.42Å; E180-L184 PolarHBondContact O-N 3.36Å; S181-L184 PolarHBondContact O-N 3.41Å; L184-V186 PolarHBondContact O-N 2.99Å; L184-V186 VanDerWaalsContact O-N 3.11Å |
| 185 | G | 69.4 | Low | 75.5 | Confident | 36 Ų | 36 | 74.8 Ų | 74.8 | 37% | 0.371 | 39% | 0.386 | S | S | . | . | trans | -69.9 | 104.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | S181 P187 | S181-G185 PolarHBondContact O-N 2.84Å; G185-P187 WeakPolarHBondContact O-CD 3.49Å | ||
| 186 | V | 67.2 | Low | 74.6 | Confident | 51 Ų | 51 | 77.7 Ų | 77.7 | 31% | 0.309 | 40% | 0.399 | S | S | . | . | trans | -101.8 | 58.5 | 173 | -159.3 | 0 | 0 | 0 | 0 | 110.1 | L184 Y188 L189 I228 | L184-V186 PolarHBondContact O-N 2.99Å; L184-V186 VanDerWaalsContact O-N 3.11Å; V186-Y188 VanDerWaalsContact C-N 3.28Å; V186-Y188 HydrophobicContact CB-CE1 4.47Å; V186-Y188 HydrophobicContact CG1-CD1 3.95Å; V186-Y188 HydrophobicContact CG1-CE1 3.27Å; V186-Y188 HydrophobicContact CG1-CE2 4.23Å; V186-Y188 VanDerWaalsContact CG1-CZ 3.43Å; V186-Y188 PolarHBondContact O-N 2.86Å; V186-L189 HydrophobicContact CB-CD1 4.17Å; V186-L189 HydrophobicContact CG1-CB 4.37Å; V186-L189 HydrophobicContact CG1-CD1 3.43Å; V186-L189 VanDerWaalsContact CG1-CD1 3.43Å; V186-L189 HydrophobicContact CG1-CG 3.66Å; V186-L189 PolarHBondContact O-N 3.48Å; V186-I228 HydrophobicContact CG1-CD1 4.07Å; V186-I228 HydrophobicContact CG2-CD1 4.36Å | ||
| 187 | P | 61.3 | Low | 73.9 | Confident | 69 Ų | 69 | 78.1 Ų | 78.1 | 45% | 0.448 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | -65.6 | -30.2 | -169.8 | 27.5 | -34.8 | 0 | 0 | 0 | 112.6 | G185 L189 K190 M191 | G185-P187 WeakPolarHBondContact O-CD 3.49Å; P187-L189 PolarHBondContact O-N 3.25Å; P187-L189 VanDerWaalsContact O-N 3.13Å; P187-K190 PolarHBondContact O-N 3.2Å; P187-M191 WeakPolarHBondContact O-CG 3.48Å; P187-M191 PolarHBondContact O-N 3.44Å |
| 188 | Y | 64.4 | Low | 73.3 | Confident | 12 Ų | 12 | 76.6 Ų | 76.6 | 5% | 0.047 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -63.3 | -21.2 | -177.9 | 69.6 | -93.9 | 0 | 0 | 0 | 113.9 | V186 K190 V221 W224 I228 | V186-Y188 VanDerWaalsContact C-N 3.28Å; V186-Y188 HydrophobicContact CB-CE1 4.47Å; V186-Y188 HydrophobicContact CG1-CD1 3.95Å; V186-Y188 HydrophobicContact CG1-CE1 3.27Å; V186-Y188 HydrophobicContact CG1-CE2 4.23Å; V186-Y188 VanDerWaalsContact CG1-CZ 3.43Å; V186-Y188 PolarHBondContact O-N 2.86Å; Y188-K190 VanDerWaalsContact C-N 3.31Å; Y188-V221 HydrophobicContact CE2-CG1 4.31Å; Y188-W224 HydrophobicContact CD1-CB 3.56Å; Y188-W224 AromaticContact CD1-CD2 3.81Å; Y188-W224 HydrophobicContact CD1-CD2 3.81Å; Y188-W224 AromaticContact CD1-CE3 3.94Å; Y188-W224 HydrophobicContact CD1-CE3 3.94Å; Y188-W224 AromaticContact CD1-CG 3.65Å; Y188-W224 HydrophobicContact CD1-CG 3.65Å; Y188-W224 HydrophobicContact CD2-CB 3.97Å; Y188-W224 HydrophobicContact CD2-CG 4.22Å; Y188-W224 HydrophobicContact CE1-CB 3.58Å; Y188-W224 HydrophobicContact CE1-CG 4.2Å; Y188-W224 HydrophobicContact CE2-CB 4.02Å; Y188-W224 HydrophobicContact CG-CB 3.76Å; Y188-W224 AromaticContact CG-CD1 4Å; Y188-W224 HydrophobicContact CG-CD2 4.09Å; Y188-W224 AromaticContact CG-CG 3.66Å; Y188-W224 HydrophobicContact CG-CG 3.66Å; Y188-I228 HydrophobicContact CE1-CD1 3.58Å |
| 189 | L | 62.1 | Low | 72.8 | Confident | 120 Ų | 120 | 74.3 Ų | 74.3 | 63% | 0.628 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -72 | -26.8 | 173.6 | -72.9 | 176.6 | 0 | 0 | 0 | 112.4 | V186 P187 | V186-L189 HydrophobicContact CB-CD1 4.17Å; V186-L189 HydrophobicContact CG1-CB 4.37Å; V186-L189 HydrophobicContact CG1-CD1 3.43Å; V186-L189 VanDerWaalsContact CG1-CD1 3.43Å; V186-L189 HydrophobicContact CG1-CG 3.66Å; V186-L189 PolarHBondContact O-N 3.48Å; P187-L189 PolarHBondContact O-N 3.25Å; P187-L189 VanDerWaalsContact O-N 3.13Å |
| 190 | K | 62.8 | Low | 71.8 | Confident | 195 Ų | 195 | 78.7 Ų | 78.7 | 85% | 0.848 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | -17.8 | -179.3 | -64 | -175.1 | 179.7 | -178.5 | 0 | 113.2 | P187 Y188 | P187-K190 PolarHBondContact O-N 3.2Å; Y188-K190 VanDerWaalsContact C-N 3.31Å |
| 191 | M | 59.1 | Low | 70.7 | Confident | 90 Ų | 90 | 79.8 Ų | 79.8 | 44% | 0.443 | 43% | 0.43 | S | S | . | . | trans | -83.1 | 131.6 | 179.8 | -65.2 | -179.3 | 74.9 | 0 | 0 | 110.9 | P187 N193 P194 | P187-M191 WeakPolarHBondContact O-CG 3.48Å; P187-M191 PolarHBondContact O-N 3.44Å; M191-N193 VanDerWaalsContact C-N 3.35Å; M191-P194 HydrophobicContact CB-CB 4.13Å | ||
| 192 | E | 58.7 | Low | 70 | Confident | 185 Ų | 185 | 76.8 Ų | 76.8 | 86% | 0.864 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -65.2 | -39.8 | 170.9 | -77.9 | -169 | 145.6 | 0 | 0 | 111.8 | ||
| 193 | N | 60.8 | Low | 68.9 | Low | 144 Ų | 144 | 79 Ų | 79 | 77% | 0.77 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -123.8 | 76.3 | 177.3 | -71.1 | -35.5 | 0 | 0 | 0 | 110.5 | M191 | M191-N193 VanDerWaalsContact C-N 3.35Š|
| 194 | P | 62.5 | Low | 67.7 | Low | 28 Ų | 28 | 85.7 Ų | 85.7 | 18% | 0.182 | 45% | 0.452 | C | S | . | . | trans | -64 | 144.7 | 177.7 | 24.8 | -31.1 | 0 | 0 | 0 | 111 | M191 F196 | M191-P194 HydrophobicContact CB-CB 4.13Å; P194-F196 PolarHBondContact O-N 2.74Å | ||
| 195 | P | 67.7 | Low | 66.6 | Low | 78 Ų | 78 | 85.9 Ų | 85.9 | 51% | 0.506 | 45% | 0.446 | S | S | . | . | trans | -59.2 | 126.7 | 176.8 | 14.9 | -19.7 | 0 | 0 | 0 | 109.3 | P197 W224 | P195-P197 VanDerWaalsContact O-CD 3.26Å; P195-P197 WeakPolarHBondContact O-CD 3.02Å; P195-W224 HydrophobicContact CG-CZ2 4.01Å; P195-W224 PolarHBondContact O-NE1 3.42Å | ||
| 196 | F | 73.2 | Confident | 65.8 | Low | 62 Ų | 62 | 87.4 Ų | 87.4 | 27% | 0.272 | 45% | 0.449 | S | S | . | . | trans | -82.4 | 113.1 | -176.7 | -176.7 | -103.5 | 0 | 0 | 0 | 109.6 | P194 K198 L216 R219 C220 R223 | P194-F196 PolarHBondContact O-N 2.74Å; F196-K198 HydrophobicContact CD1-CD 4.28Å; F196-K198 HydrophobicContact CD1-CG 3.59Å; F196-K198 HydrophobicContact CE1-CG 3.98Å; F196-K198 PolarHBondContact O-N 3.33Å; F196-L216 HydrophobicContact CD2-CD1 4.19Å; F196-L216 HydrophobicContact CE2-CD1 3.95Å; F196-L216 HydrophobicContact CZ-CD1 4.38Å; F196-R219 HydrophobicContact CE2-CB 4.07Å; F196-C220 HydrophobicContact CD2-CB 3.85Å; F196-C220 HydrophobicContact CE2-CB 4.34Å; F196-R223 VanDerWaalsContact CE1-NH1 3.33Å | ||
| 197 | P | 77.6 | Confident | 65 | Low | 12 Ų | 12 | 91.5 Ų | 91.5 | 8% | 0.078 | 47% | 0.467 | C | S | . | . | trans | -65.6 | 126.8 | -179.2 | -21 | 34.9 | 0 | 0 | 0 | 110.5 | P195 R223 W224 W260 | P195-P197 VanDerWaalsContact O-CD 3.26Å; P195-P197 WeakPolarHBondContact O-CD 3.02Å; P197-R223 HydrophobicContact CB-CB 4.49Å; P197-R223 HydrophobicContact CG-CB 4.19Å; P197-R223 WeakPolarHBondContact O-CD 3.48Å; P197-R223 PolarHBondContact O-NH1 3.35Å; P197-W224 HydrophobicContact CG-CD2 4.34Å; P197-W224 HydrophobicContact CG-CG 4.49Å; P197-W224 HydrophobicContact CG-CZ2 4.23Å; P197-W260 HydrophobicContact CB-CH2 3.6Å; P197-W260 HydrophobicContact CB-CZ2 3.97Å | ||
| 198 | K | 77.3 | Confident | 64.2 | Low | 116 Ų | 116 | 95.1 Ų | 95.1 | 50% | 0.504 | 49% | 0.488 | S | S | . | . | trans | -125.1 | 148.1 | -178.5 | -67.6 | -176.3 | 178.5 | -174.4 | 0 | 111.3 | F196 E203 | F196-K198 HydrophobicContact CD1-CD 4.28Å; F196-K198 HydrophobicContact CD1-CG 3.59Å; F196-K198 HydrophobicContact CE1-CG 3.98Å; F196-K198 PolarHBondContact O-N 3.33Å; K198-E203 IonicContact NZ-OE1 2.8Å | ||
| 199 | V | 79.5 | Confident | 63.5 | Low | 7 Ų | 7 | 100.3 Ų | 100.3 | 4% | 0.042 | 52% | 0.516 | C | S | . | . | trans | -103.2 | 140.7 | 174.8 | -173.3 | 0 | 0 | 0 | 0 | 109.6 | W85 L88 G201 E202 L259 W260 | W85-V199 HydrophobicContact CD2-CG1 4.39Å; W85-V199 HydrophobicContact CE3-CG1 3.56Å; W85-V199 HydrophobicContact CZ3-CG1 3.73Å; L88-V199 HydrophobicContact CB-CG2 3.8Å; L88-V199 HydrophobicContact CD1-CG2 4.29Å; V199-G201 PolarHBondContact O-N 3.07Å; V199-E202 HydrophobicContact CB-CB 4.46Å; V199-E202 PolarHBondContact N-OE2 2.9Å; V199-E202 VanDerWaalsContact N-OE2 3.16Å; V199-E202 WeakPolarHBondContact O-CB 3.11Å; V199-E202 PolarHBondContact O-N 2.94Å; V199-L259 HydrophobicContact CB-CD2 4.45Å; V199-L259 HydrophobicContact CG2-CD2 4.23Å; V199-W260 HydrophobicContact CG2-CZ2 3.91Å | ||
| 200 | P | 68.4 | Low | 62.9 | Low | 91 Ų | 91 | 102.9 Ų | 102.9 | 59% | 0.591 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 128.3 | 175.9 | -25.3 | 34.3 | 0 | 0 | 0 | 112.4 | A84 | A84-P200 WeakPolarHBondContact O-CD 3.45Š|
| 201 | G | 66.8 | Low | 62.6 | Low | 43 Ų | 43 | 95.3 Ų | 95.3 | 44% | 0.443 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | -5.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | V199 E203 K204 | V199-G201 PolarHBondContact O-N 3.07Å; G201-E203 PolarHBondContact O-N 3.27Å; G201-K204 PolarHBondContact O-N 3.29Å |
| 202 | E | 72 | Confident | 63 | Low | 17 Ų | 17 | 94 Ų | 94 | 8% | 0.079 | 50% | 0.504 | C | S | . | . | G | 310 helix | trans | -59.5 | -31.6 | 178 | -170.9 | 178.1 | -170.1 | 0 | 0 | 112.4 | V199 K204 Y205 T206 R223 | V199-E202 HydrophobicContact CB-CB 4.46Å; V199-E202 PolarHBondContact N-OE2 2.9Å; V199-E202 VanDerWaalsContact N-OE2 3.16Å; V199-E202 WeakPolarHBondContact O-CB 3.11Å; V199-E202 PolarHBondContact O-N 2.94Å; E202-K204 PolarHBondContact O-N 3.25Å; E202-Y205 PolarHBondContact O-N 2.89Å; E202-Y205 VanDerWaalsContact O-N 3.07Å; E202-T206 PolarHBondContact O-N 2.72Å; E202-T206 PolarHBondContact O-OG1 2.82Å; E202-R223 IonicContact OE1-CZ 3.65Å; E202-R223 VanDerWaalsContact OE1-CZ 3.27Å; E202-R223 IonicContact OE1-NH1 3.23Å; E202-R223 PolarHBondContact OE1-NH1 2.8Å; E202-R223 VanDerWaalsContact OE1-NH1 3.08Å; E202-R223 IonicContact OE1-NH2 2.88Å; E202-R223 PolarHBondContact OE1-NH2 2.83Å; E202-R223 IonicContact OE2-CZ 3.91Å; E202-R223 IonicContact OE2-NH1 3.93Å; E202-R223 PolarHBondContact OE2-NH1 2.81Å |
| 203 | E | 65.1 | Low | 63.5 | Low | 144 Ų | 144 | 94.6 Ų | 94.6 | 67% | 0.673 | 50% | 0.503 | S | S | * | . | G | 310 helix | trans | -60.3 | -29.5 | -178.1 | -59.9 | -177.5 | 165.7 | 0 | 0 | 113.3 | K198 G201 Y205 | K198-E203 IonicContact NZ-OE1 2.8Å; G201-E203 PolarHBondContact O-N 3.27Å; E203-Y205 VanDerWaalsContact C-N 3.27Å; E203-Y205 PolarHBondContact O-N 3.45Å |
| 204 | K | 62.1 | Low | 64.2 | Low | 187 Ų | 187 | 96.5 Ų | 96.5 | 81% | 0.813 | 50% | 0.5 | S | S | * | . | G | 310 helix | trans | -71 | -22.2 | 178.6 | -66.4 | -173.3 | 179.4 | -176 | 0 | 113.5 | G201 E202 | G201-K204 PolarHBondContact O-N 3.29Å; E202-K204 PolarHBondContact O-N 3.25Å |
| 205 | Y | 59.6 | Low | 64.9 | Low | 116 Ų | 116 | 97.4 Ų | 97.4 | 46% | 0.455 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | -12.8 | -177.3 | -62 | -85.5 | 0 | 0 | 0 | 112.6 | E202 E203 I207 F342 | E202-Y205 PolarHBondContact O-N 2.89Å; E202-Y205 VanDerWaalsContact O-N 3.07Å; E203-Y205 VanDerWaalsContact C-N 3.27Å; E203-Y205 PolarHBondContact O-N 3.45Å; Y205-I207 PolarHBondContact O-N 3.01Å; Y205-F342 HydrophobicContact CD1-CD1 4.01Å; Y205-F342 HydrophobicContact CD1-CE1 4.26Å; Y205-F342 AromaticContact CD2-CD1 3.27Å; Y205-F342 HydrophobicContact CD2-CD1 3.27Å; Y205-F342 AromaticContact CD2-CE1 3.46Å; Y205-F342 HydrophobicContact CD2-CE1 3.46Å; Y205-F342 VanDerWaalsContact CD2-CE1 3.46Å; Y205-F342 AromaticContact CD2-CG 3.92Å; Y205-F342 HydrophobicContact CD2-CG 3.92Å; Y205-F342 HydrophobicContact CD2-CZ 4.25Å; Y205-F342 AromaticContact CE1-CD1 4Å; Y205-F342 HydrophobicContact CE1-CD1 4Å; Y205-F342 HydrophobicContact CE2-CB 3.71Å; Y205-F342 AromaticContact CE2-CD1 3.27Å; Y205-F342 HydrophobicContact CE2-CD1 3.27Å; Y205-F342 HydrophobicContact CE2-CD2 4.5Å; Y205-F342 AromaticContact CE2-CE1 3.98Å; Y205-F342 HydrophobicContact CE2-CE1 3.98Å; Y205-F342 AromaticContact CE2-CG 3.58Å; Y205-F342 HydrophobicContact CE2-CG 3.58Å; Y205-F342 AromaticContact CG-CD1 3.65Å; Y205-F342 HydrophobicContact CG-CD1 3.65Å; Y205-F342 AromaticContact CG-CE1 3.62Å; Y205-F342 HydrophobicContact CG-CE1 3.62Å; Y205-F342 AromaticContact CZ-CD1 3.64Å |
| 206 | T | 53.3 | Low | 65.4 | Low | 69 Ų | 69 | 97.9 Ų | 97.9 | 42% | 0.423 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -77 | 79.1 | 169.5 | -43.1 | 0 | 0 | 0 | 0 | 107 | E202 V208 | E202-T206 PolarHBondContact O-N 2.72Å; E202-T206 PolarHBondContact O-OG1 2.82Å; T206-V208 PolarHBondContact O-N 3.04Å; T206-V208 VanDerWaalsContact O-N 3.14Å |
| 207 | I | 49.8 | Very low | 65.6 | Low | 136 Ų | 136 | 101.8 Ų | 101.8 | 70% | 0.697 | 52% | 0.519 | S | S | * | . | trans | -49.5 | 126 | 168 | -64.7 | 169.4 | 0 | 0 | 0 | 106.4 | Y205 L209 | Y205-I207 PolarHBondContact O-N 3.01Å; I207-L209 VanDerWaalsContact C-N 3.27Å; I207-L209 PolarHBondContact O-N 2.86Å | ||
| 208 | V | 45.1 | Very low | 65.9 | Low | 145 Ų | 145 | 104.7 Ų | 104.7 | 88% | 0.879 | 53% | 0.531 | S | S | * | . | trans | -40.9 | 90.9 | 175 | -179.2 | 0 | 0 | 0 | 0 | 109.1 | T206 | T206-V208 PolarHBondContact O-N 3.04Å; T206-V208 VanDerWaalsContact O-N 3.14Å | ||
| 209 | L | 50.4 | Low | 66.2 | Low | 122 Ų | 122 | 101 Ų | 101 | 64% | 0.639 | 51% | 0.514 | S | S | * | . | trans | -109.3 | 112.5 | 178.2 | -102.1 | 147.1 | 0 | 0 | 0 | 105.1 | I207 A211 | I207-L209 VanDerWaalsContact C-N 3.27Å; I207-L209 PolarHBondContact O-N 2.86Å; L209-A211 PolarHBondContact O-N 2.86Å | ||
| 210 | D | 48.3 | Very low | 66.5 | Low | 173 Ų | 173 | 101 Ų | 101 | 93% | 0.925 | 51% | 0.514 | S | S | * | . | trans | -62.2 | 63 | 174.9 | -147.2 | 3.7 | 0 | 0 | 0 | 109.6 | S212 | D210-S212 PolarHBondContact O-N 2.88Š| ||
| 211 | A | 58 | Low | 67.3 | Low | 36 Ų | 36 | 98.1 Ų | 98.1 | 30% | 0.298 | 49% | 0.494 | S | S | . | . | trans | -74.4 | 121.9 | -171.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | L209 K213 T215 | L209-A211 PolarHBondContact O-N 2.86Å; A211-K213 PolarHBondContact O-N 3.05Å; A211-T215 HydrophobicContact CB-CG2 4.28Å | ||
| 212 | S | 66.2 | Low | 68.4 | Low | 63 Ų | 63 | 96 Ų | 96 | 44% | 0.441 | 47% | 0.473 | S | S | . | . | trans | -46.1 | 145.7 | 171 | 77.3 | 0 | 0 | 0 | 0 | 110.7 | D210 R214 T215 L216 | D210-S212 PolarHBondContact O-N 2.88Å; S212-R214 PolarHBondContact O-N 2.81Å; S212-T215 PolarHBondContact O-N 3.06Å; S212-T215 PolarHBondContact OG-N 3.34Å; S212-T215 VanDerWaalsContact OG-N 3.15Å; S212-T215 PolarHBondContact OG-OG1 2.91Å; S212-L216 PolarHBondContact O-N 3.2Å; S212-L216 VanDerWaalsContact O-N 3.11Å | ||
| 213 | K | 70 | Confident | 69.3 | Low | 197 Ų | 197 | 95.6 Ų | 95.6 | 86% | 0.857 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -48.5 | -31.3 | 175.3 | -71.8 | -176 | 178.6 | -180 | 0 | 112.1 | A211 K217 | A211-K213 PolarHBondContact O-N 3.05Å; K213-K217 WeakPolarHBondContact O-CB 3.43Å; K213-K217 PolarHBondContact O-N 3.34Å |
| 214 | R | 75.4 | Confident | 70.3 | Confident | 185 Ų | 185 | 91.2 Ų | 91.2 | 70% | 0.698 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -67.5 | -44.8 | 175.3 | -171 | -180 | -176.4 | -172.3 | 1.1 | 113.1 | S212 K217 K218 | S212-R214 PolarHBondContact O-N 2.81Å; R214-K217 PolarHBondContact O-N 3.34Å; R214-K218 PolarHBondContact O-N 3.08Å |
| 215 | T | 77.2 | Confident | 71.6 | Confident | 46 Ų | 46 | 85 Ų | 85 | 28% | 0.282 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.7 | -43.8 | 177.8 | -52.4 | 0 | 0 | 0 | 0 | 110.9 | A211 S212 K217 K218 R219 T255 | A211-T215 HydrophobicContact CB-CG2 4.28Å; S212-T215 PolarHBondContact O-N 3.06Å; S212-T215 PolarHBondContact OG-N 3.34Å; S212-T215 VanDerWaalsContact OG-N 3.15Å; S212-T215 PolarHBondContact OG-OG1 2.91Å; T215-K217 PolarHBondContact O-N 2.85Å; T215-K218 PolarHBondContact O-N 3.05Å; T215-R219 PolarHBondContact O-N 3.2Å; T215-T255 HydrophobicContact CG2-CG2 4.09Å |
| 216 | L | 77.2 | Confident | 73.3 | Confident | 88 Ų | 88 | 79.5 Ų | 79.5 | 46% | 0.461 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 176.1 | -177.3 | 64 | 0 | 0 | 0 | 111.8 | F196 S212 K218 R219 C220 | F196-L216 HydrophobicContact CD2-CD1 4.19Å; F196-L216 HydrophobicContact CE2-CD1 3.95Å; F196-L216 HydrophobicContact CZ-CD1 4.38Å; S212-L216 PolarHBondContact O-N 3.2Å; S212-L216 VanDerWaalsContact O-N 3.11Å; L216-K218 PolarHBondContact O-N 3.11Å; L216-R219 PolarHBondContact O-N 3.02Å; L216-C220 WeakPolarHBondContact O-CB 3.33Å; L216-C220 PolarHBondContact O-N 2.73Å |
| 217 | K | 78.9 | Confident | 75.1 | Confident | 144 Ų | 144 | 76.4 Ų | 76.4 | 63% | 0.626 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -60.6 | -44.3 | 175.2 | -171.9 | 173.5 | -176.5 | 172.5 | 0 | 111.8 | K213 R214 T215 C220 V221 | K213-K217 WeakPolarHBondContact O-CB 3.43Å; K213-K217 PolarHBondContact O-N 3.34Å; R214-K217 PolarHBondContact O-N 3.34Å; T215-K217 PolarHBondContact O-N 2.85Å; K217-C220 PolarHBondContact O-N 3.09Å; K217-V221 VanDerWaalsContact O-CG2 3.31Å; K217-V221 WeakPolarHBondContact O-CG2 3.47Å; K217-V221 PolarHBondContact O-N 2.64Å |
| 218 | K | 83.3 | Confident | 77.1 | Confident | 74 Ų | 74 | 70.4 Ų | 70.4 | 32% | 0.322 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.4 | -44.1 | 175 | -75.8 | -170.6 | 177.6 | -171.8 | 0 | 112.4 | R214 T215 L216 V221 G222 T255 | R214-K218 PolarHBondContact O-N 3.08Å; T215-K218 PolarHBondContact O-N 3.05Å; L216-K218 PolarHBondContact O-N 3.11Å; K218-V221 PolarHBondContact O-N 2.89Å; K218-G222 PolarHBondContact O-N 3.27Å; K218-T255 HydrophobicContact CB-CG2 3.53Å; K218-T255 HydrophobicContact CD-CG2 4.33Å |
| 219 | R | 84.8 | Confident | 79.3 | Confident | 39 Ų | 39 | 63.5 Ų | 63.5 | 15% | 0.147 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57.6 | -50.7 | 174.2 | -76.7 | -173.8 | 177.8 | 172.4 | 0 | 110.8 | F196 T215 L216 V221 G222 R223 T255 D257 | F196-R219 HydrophobicContact CE2-CB 4.07Å; T215-R219 PolarHBondContact O-N 3.2Å; L216-R219 PolarHBondContact O-N 3.02Å; R219-V221 PolarHBondContact O-N 3.27Å; R219-G222 PolarHBondContact O-N 3.07Å; R219-R223 WeakPolarHBondContact O-CG 3.41Å; R219-R223 PolarHBondContact O-N 2.96Å; R219-T255 VanDerWaalsContact CG-CB 3.41Å; R219-T255 HydrophobicContact CG-CG2 3.83Å; R219-T255 VanDerWaalsContact CG-OG1 3.27Å; R219-T255 WeakPolarHBondContact CG-OG1 3.2Å; R219-T255 PolarHBondContact NE-O 2.87Å; R219-T255 PolarHBondContact NH2-O 3.3Å; R219-D257 HydrophobicContact CG-CB 4.42Å |
| 220 | C | 85.2 | Confident | 81.4 | Confident | 7 Ų | 7 | 57.7 Ų | 57.7 | 5% | 0.047 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -57.5 | -50.5 | 179.9 | -165.6 | 0 | 0 | 0 | 0 | 111.6 | F196 L216 K217 G222 R223 W224 | F196-C220 HydrophobicContact CD2-CB 3.85Å; F196-C220 HydrophobicContact CE2-CB 4.34Å; L216-C220 WeakPolarHBondContact O-CB 3.33Å; L216-C220 PolarHBondContact O-N 2.73Å; K217-C220 PolarHBondContact O-N 3.09Å; C220-G222 VanDerWaalsContact C-N 3.34Å; C220-G222 PolarHBondContact O-N 3.15Å; C220-R223 PolarHBondContact O-N 2.85Å; C220-W224 PolarHBondContact O-N 3Å |
| 221 | V | 85.2 | Confident | 83.6 | Confident | 29 Ų | 29 | 50.1 Ų | 50.1 | 18% | 0.176 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.9 | -43 | 177.2 | 171.5 | 0 | 0 | 0 | 0 | 111.5 | Y188 K217 K218 R219 W224 K225 | Y188-V221 HydrophobicContact CE2-CG1 4.31Å; K217-V221 VanDerWaalsContact O-CG2 3.31Å; K217-V221 WeakPolarHBondContact O-CG2 3.47Å; K217-V221 PolarHBondContact O-N 2.64Å; K218-V221 PolarHBondContact O-N 2.89Å; R219-V221 PolarHBondContact O-N 3.27Å; V221-W224 PolarHBondContact O-N 2.82Å; V221-K225 HydrophobicContact CG1-CD 4.43Å; V221-K225 HydrophobicContact CG1-CG 4.46Å; V221-K225 WeakPolarHBondContact O-CB 3.44Å; V221-K225 WeakPolarHBondContact O-CG 3.42Å; V221-K225 PolarHBondContact O-N 2.97Å |
| 222 | G | 88.6 | Confident | 85.2 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60 | -45.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | K218 R219 C220 K225 K226 | K218-G222 PolarHBondContact O-N 3.27Å; R219-G222 PolarHBondContact O-N 3.07Å; C220-G222 VanDerWaalsContact C-N 3.34Å; C220-G222 PolarHBondContact O-N 3.15Å; G222-K225 PolarHBondContact O-N 3.01Å; G222-K226 WeakPolarHBondContact O-CB 3.47Å; G222-K226 PolarHBondContact O-N 2.77Å |
| 223 | R | 90.9 | Very high | 86.5 | Confident | 7 Ų | 7 | 45.6 Ų | 45.6 | 3% | 0.026 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.2 | -43.2 | 176.9 | -66.5 | -175.2 | -176.5 | -151.2 | -6.4 | 112.1 | F196 P197 E202 R219 C220 K226 Q227 L252 D257 W260 | F196-R223 VanDerWaalsContact CE1-NH1 3.33Å; P197-R223 HydrophobicContact CB-CB 4.49Å; P197-R223 HydrophobicContact CG-CB 4.19Å; P197-R223 WeakPolarHBondContact O-CD 3.48Å; P197-R223 PolarHBondContact O-NH1 3.35Å; E202-R223 IonicContact OE1-CZ 3.65Å; E202-R223 VanDerWaalsContact OE1-CZ 3.27Å; E202-R223 IonicContact OE1-NH1 3.23Å; E202-R223 PolarHBondContact OE1-NH1 2.8Å; E202-R223 VanDerWaalsContact OE1-NH1 3.08Å; E202-R223 IonicContact OE1-NH2 2.88Å; E202-R223 PolarHBondContact OE1-NH2 2.83Å; E202-R223 IonicContact OE2-CZ 3.91Å; E202-R223 IonicContact OE2-NH1 3.93Å; E202-R223 PolarHBondContact OE2-NH1 2.81Å; R219-R223 WeakPolarHBondContact O-CG 3.41Å; R219-R223 PolarHBondContact O-N 2.96Å; C220-R223 PolarHBondContact O-N 2.85Å; R223-K226 WeakPolarHBondContact O-CB 3.31Å; R223-K226 PolarHBondContact O-N 2.68Å; R223-Q227 PolarHBondContact O-N 2.78Å; R223-Q227 VanDerWaalsContact O-N 3.07Å; R223-L252 HydrophobicContact CG-CD2 4.17Å; R223-D257 IonicContact CZ-OD2 3.48Å; R223-D257 IonicContact NE-OD2 3.49Å; R223-D257 PolarHBondContact NE-OD2 2.96Å; R223-D257 VanDerWaalsContact NH2-CG 3.35Å; R223-D257 IonicContact NH2-OD1 3.07Å; R223-D257 PolarHBondContact NH2-OD1 2.81Å; R223-D257 IonicContact NH2-OD2 2.85Å; R223-D257 PolarHBondContact NH2-OD2 2.88Å; R223-W260 HydrophobicContact CB-CD2 4.12Å; R223-W260 HydrophobicContact CB-CE3 3.72Å; R223-W260 HydrophobicContact CB-CH2 4.2Å; R223-W260 HydrophobicContact CB-CZ3 3.77Å; R223-W260 HydrophobicContact CG-CB 4.31Å; R223-W260 HydrophobicContact CG-CD2 3.49Å; R223-W260 VanDerWaalsContact CG-CD2 3.49Å; R223-W260 HydrophobicContact CG-CE3 3.62Å; R223-W260 HydrophobicContact CG-CG 3.8Å; R223-W260 HydrophobicContact CG-CH2 4.42Å; R223-W260 HydrophobicContact CG-CZ2 4.32Å; R223-W260 HydrophobicContact CG-CZ3 4.1Å; R223-W260 VanDerWaalsContact NH1-NE1 3.14Å |
| 224 | W | 87.2 | Confident | 87.5 | Confident | 52 Ų | 52 | 36.3 Ų | 36.3 | 20% | 0.197 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.2 | -45.4 | 177 | -84.4 | 107.1 | 0 | 0 | 0 | 112.8 | Y188 P195 P197 C220 V221 K226 Q227 I228 | Y188-W224 HydrophobicContact CD1-CB 3.56Å; Y188-W224 AromaticContact CD1-CD2 3.81Å; Y188-W224 HydrophobicContact CD1-CD2 3.81Å; Y188-W224 AromaticContact CD1-CE3 3.94Å; Y188-W224 HydrophobicContact CD1-CE3 3.94Å; Y188-W224 AromaticContact CD1-CG 3.65Å; Y188-W224 HydrophobicContact CD1-CG 3.65Å; Y188-W224 HydrophobicContact CD2-CB 3.97Å; Y188-W224 HydrophobicContact CD2-CG 4.22Å; Y188-W224 HydrophobicContact CE1-CB 3.58Å; Y188-W224 HydrophobicContact CE1-CG 4.2Å; Y188-W224 HydrophobicContact CE2-CB 4.02Å; Y188-W224 HydrophobicContact CG-CB 3.76Å; Y188-W224 AromaticContact CG-CD1 4Å; Y188-W224 HydrophobicContact CG-CD2 4.09Å; Y188-W224 AromaticContact CG-CG 3.66Å; Y188-W224 HydrophobicContact CG-CG 3.66Å; P195-W224 HydrophobicContact CG-CZ2 4.01Å; P195-W224 PolarHBondContact O-NE1 3.42Å; P197-W224 HydrophobicContact CG-CD2 4.34Å; P197-W224 HydrophobicContact CG-CG 4.49Å; P197-W224 HydrophobicContact CG-CZ2 4.23Å; C220-W224 PolarHBondContact O-N 3Å; V221-W224 PolarHBondContact O-N 2.82Å; W224-K226 VanDerWaalsContact C-N 3.26Å; W224-K226 PolarHBondContact O-N 2.95Å; W224-Q227 PolarHBondContact O-N 3.36Å; W224-Q227 VanDerWaalsContact O-N 3.16Å; W224-I228 PolarHBondContact O-N 3.23Å |
| 225 | K | 89.9 | Confident | 88.2 | Confident | 56 Ų | 56 | 27.5 Ų | 27.5 | 24% | 0.243 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57.8 | -40.9 | 173.4 | -77.9 | -170.6 | 174 | -166.5 | 0 | 111.8 | V221 G222 Q227 I228 G229 A248 | V221-K225 HydrophobicContact CG1-CD 4.43Å; V221-K225 HydrophobicContact CG1-CG 4.46Å; V221-K225 WeakPolarHBondContact O-CB 3.44Å; V221-K225 WeakPolarHBondContact O-CG 3.42Å; V221-K225 PolarHBondContact O-N 2.97Å; G222-K225 PolarHBondContact O-N 3.01Å; K225-Q227 PolarHBondContact O-N 3.1Å; K225-I228 PolarHBondContact O-N 2.8Å; K225-G229 PolarHBondContact O-N 3.46Å; K225-A248 HydrophobicContact CB-CB 3.81Å |
| 226 | K | 93.7 | Very high | 88.6 | Confident | 1 Ų | 1 | 27.3 Ų | 27.3 | 0% | 0.004 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58 | -48.6 | 174.8 | -168.9 | -81.5 | 176.2 | -162 | 0 | 111.3 | L88 G222 R223 W224 I228 G229 D230 Y245 A248 W260 A263 A264 | L88-K226 VanDerWaalsContact O-CE 3.29Å; L88-K226 WeakPolarHBondContact O-CE 3.45Å; L88-K226 PolarHBondContact O-NZ 3.48Å; G222-K226 WeakPolarHBondContact O-CB 3.47Å; G222-K226 PolarHBondContact O-N 2.77Å; R223-K226 WeakPolarHBondContact O-CB 3.31Å; R223-K226 PolarHBondContact O-N 2.68Å; W224-K226 VanDerWaalsContact C-N 3.26Å; W224-K226 PolarHBondContact O-N 2.95Å; K226-I228 PolarHBondContact O-N 2.8Å; K226-G229 WeakPolarHBondContact O-CA 3.5Å; K226-G229 PolarHBondContact O-N 3.46Å; K226-G229 VanDerWaalsContact O-N 3.12Å; K226-D230 IonicContact NZ-OD1 2.66Å; K226-D230 PolarHBondContact NZ-OD1 2.94Å; K226-D230 IonicContact NZ-OD2 3.27Å; K226-D230 PolarHBondContact NZ-OD2 3.39Å; K226-D230 PolarHBondContact O-N 2.82Å; K226-Y245 HydrophobicContact CG-CD1 4.46Å; K226-Y245 HydrophobicContact CG-CE1 4.39Å; K226-A248 HydrophobicContact CB-CB 4.01Å; K226-W260 HydrophobicContact CD-CE3 4.34Å; K226-W260 HydrophobicContact CD-CZ3 4.47Å; K226-A263 WeakPolarHBondContact CE-O 3.38Å; K226-A264 HydrophobicContact CG-CB 3.78Å |
| 227 | Q | 91.6 | Very high | 89.1 | Confident | 4 Ų | 4 | 23.9 Ų | 23.9 | 2% | 0.019 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.9 | -38.4 | 178 | -71 | -169.4 | -23.2 | 0 | 0 | 112.5 | E87 R223 W224 K225 G229 D230 Y231 W260 | E87-Q227 PolarHBondContact O-NE2 2.83Å; E87-Q227 PolarHBondContact OE2-NE2 3.14Å; E87-Q227 VanDerWaalsContact OE2-NE2 3.07Å; R223-Q227 PolarHBondContact O-N 2.78Å; R223-Q227 VanDerWaalsContact O-N 3.07Å; W224-Q227 PolarHBondContact O-N 3.36Å; W224-Q227 VanDerWaalsContact O-N 3.16Å; K225-Q227 PolarHBondContact O-N 3.1Å; Q227-G229 VanDerWaalsContact C-N 3.29Å; Q227-G229 PolarHBondContact O-N 3.43Å; Q227-D230 WeakPolarHBondContact O-CB 3.22Å; Q227-D230 PolarHBondContact O-N 3.12Å; Q227-Y231 HydrophobicContact CB-CE2 4.38Å; Q227-Y231 VanDerWaalsContact O-CD2 3.23Å; Q227-Y231 WeakPolarHBondContact O-CD2 3.32Å; Q227-Y231 PolarHBondContact O-N 3.02Å; Q227-W260 HydrophobicContact CG-CZ3 4.18Å |
| 228 | I | 91.2 | Very high | 89.6 | Confident | 10 Ų | 10 | 17.4 Ų | 17.4 | 5% | 0.051 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.4 | -41.7 | 171.2 | -71.4 | -177.7 | 0 | 0 | 0 | 110.6 | R183 V186 Y188 W224 K225 K226 D230 Y231 T232 E244 | R183-I228 HydrophobicContact CG-CG2 4.49Å; V186-I228 HydrophobicContact CG1-CD1 4.07Å; V186-I228 HydrophobicContact CG2-CD1 4.36Å; Y188-I228 HydrophobicContact CE1-CD1 3.58Å; W224-I228 PolarHBondContact O-N 3.23Å; K225-I228 PolarHBondContact O-N 2.8Å; K226-I228 PolarHBondContact O-N 2.8Å; I228-D230 VanDerWaalsContact C-N 3.33Å; I228-D230 PolarHBondContact O-N 3.03Å; I228-Y231 PolarHBondContact O-N 2.79Å; I228-T232 VanDerWaalsContact O-CB 3.3Å; I228-T232 WeakPolarHBondContact O-CB 3.34Å; I228-T232 PolarHBondContact O-N 2.79Å; I228-T232 PolarHBondContact O-OG1 2.86Å; I228-E244 HydrophobicContact CG2-CG 4.06Å |
| 229 | G | 93 | Very high | 89.8 | Confident | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -57.4 | -43.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | K225 K226 Q227 T232 L233 Y245 | K225-G229 PolarHBondContact O-N 3.46Å; K226-G229 WeakPolarHBondContact O-CA 3.5Å; K226-G229 PolarHBondContact O-N 3.46Å; K226-G229 VanDerWaalsContact O-N 3.12Å; Q227-G229 VanDerWaalsContact C-N 3.29Å; Q227-G229 PolarHBondContact O-N 3.43Å; G229-T232 PolarHBondContact O-N 3.06Å; G229-L233 WeakPolarHBondContact O-CB 3.43Å; G229-L233 PolarHBondContact O-N 2.88Å; G229-Y245 VanDerWaalsContact C-CZ 3.49Å |
| 230 | D | 94.6 | Very high | 90 | Very high | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60.7 | -51.3 | 174.4 | -69.4 | -11.3 | 0 | 0 | 0 | 111.4 | C90 K226 Q227 I228 T232 L233 M234 Y245 | C90-D230 HydrophobicContact CB-CB 3.73Å; C90-D230 PolarHBondContact N-OD2 2.9Å; K226-D230 IonicContact NZ-OD1 2.66Å; K226-D230 PolarHBondContact NZ-OD1 2.94Å; K226-D230 IonicContact NZ-OD2 3.27Å; K226-D230 PolarHBondContact NZ-OD2 3.39Å; K226-D230 PolarHBondContact O-N 2.82Å; Q227-D230 WeakPolarHBondContact O-CB 3.22Å; Q227-D230 PolarHBondContact O-N 3.12Å; I228-D230 VanDerWaalsContact C-N 3.33Å; I228-D230 PolarHBondContact O-N 3.03Å; D230-T232 VanDerWaalsContact C-N 3.29Å; D230-T232 PolarHBondContact O-N 2.94Å; D230-L233 PolarHBondContact O-N 2.77Å; D230-L233 VanDerWaalsContact O-N 3.15Å; D230-M234 WeakPolarHBondContact O-CB 3.3Å; D230-M234 WeakPolarHBondContact O-CG 3.44Å; D230-M234 PolarHBondContact O-N 2.78Å; D230-Y245 VanDerWaalsContact CA-OH 3.31Å; D230-Y245 WeakPolarHBondContact CA-OH 3.28Å; D230-Y245 PolarHBondContact N-OH 3.43Å; D230-Y245 PolarHBondContact OD1-OH 2.91Å |
| 231 | Y | 92.8 | Very high | 90.4 | Very high | 14 Ų | 14 | 16.9 Ų | 16.9 | 6% | 0.055 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -60.6 | -40.9 | 179.2 | -63 | -43 | 0 | 0 | 0 | 111.6 | C90 L179 R182 Q227 I228 L233 M234 T235 | C90-Y231 HydrophobicContact CB-CD1 4.25Å; C90-Y231 HydrophobicContact CB-CE1 3.82Å; L179-Y231 HydrophobicContact CD2-CD1 3.73Å; L179-Y231 HydrophobicContact CD2-CE1 3.98Å; R182-Y231 HydrophobicContact CB-CD2 4.27Å; R182-Y231 HydrophobicContact CB-CE2 4.28Å; Q227-Y231 HydrophobicContact CB-CE2 4.38Å; Q227-Y231 VanDerWaalsContact O-CD2 3.23Å; Q227-Y231 WeakPolarHBondContact O-CD2 3.32Å; Q227-Y231 PolarHBondContact O-N 3.02Å; I228-Y231 PolarHBondContact O-N 2.79Å; Y231-L233 VanDerWaalsContact C-N 3.32Å; Y231-L233 PolarHBondContact O-N 2.76Å; Y231-M234 PolarHBondContact O-N 2.82Å; Y231-T235 WeakPolarHBondContact O-CG2 3.42Å; Y231-T235 PolarHBondContact O-N 2.84Å; Y231-T235 PolarHBondContact O-OG1 2.68Å; Y231-T235 VanDerWaalsContact O-OG1 3.12Å |
| 232 | T | 92.2 | Very high | 90.8 | Very high | 2 Ų | 2 | 16.5 Ų | 16.5 | 1% | 0.012 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -62.2 | -39.6 | 176.3 | -54.4 | 0 | 0 | 0 | 0 | 111.6 | R183 I228 G229 D230 T235 L237 L240 A241 | R183-T232 WeakPolarHBondContact CD-OG1 3.34Å; R183-T232 WeakPolarHBondContact CG-OG1 3.35Å; I228-T232 VanDerWaalsContact O-CB 3.3Å; I228-T232 WeakPolarHBondContact O-CB 3.34Å; I228-T232 PolarHBondContact O-N 2.79Å; I228-T232 PolarHBondContact O-OG1 2.86Å; G229-T232 PolarHBondContact O-N 3.06Å; D230-T232 VanDerWaalsContact C-N 3.29Å; D230-T232 PolarHBondContact O-N 2.94Å; T232-T235 PolarHBondContact O-OG1 2.75Å; T232-L237 HydrophobicContact CG2-CB 3.66Å; T232-L237 WeakPolarHBondContact O-CA 3.25Å; T232-L237 WeakPolarHBondContact O-CB 3.38Å; T232-L237 PolarHBondContact O-N 2.96Å; T232-L240 HydrophobicContact CG2-CB 3.84Å; T232-A241 HydrophobicContact CG2-CB 3.91Å |
| 233 | L | 92.8 | Very high | 90.9 | Very high | 2 Ų | 2 | 22.1 Ų | 22.1 | 1% | 0.01 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -68.7 | -42.7 | 175.7 | -176 | 57.9 | 0 | 0 | 0 | 111.5 | N22 A23 G229 D230 Y231 T235 G236 A238 A241 Y245 A271 | N22-L233 HydrophobicContact CB-CD2 3.73Å; A23-L233 HydrophobicContact CB-CD1 3.99Å; A23-L233 HydrophobicContact CB-CG 3.89Å; G229-L233 WeakPolarHBondContact O-CB 3.43Å; G229-L233 PolarHBondContact O-N 2.88Å; D230-L233 PolarHBondContact O-N 2.77Å; D230-L233 VanDerWaalsContact O-N 3.15Å; Y231-L233 VanDerWaalsContact C-N 3.32Å; Y231-L233 PolarHBondContact O-N 2.76Å; L233-T235 VanDerWaalsContact C-N 3.33Å; L233-T235 PolarHBondContact O-N 2.94Å; L233-G236 PolarHBondContact O-N 2.81Å; L233-A238 HydrophobicContact CD1-CB 3.78Å; L233-A241 HydrophobicContact CB-CB 3.81Å; L233-A241 HydrophobicContact CD1-CB 4.44Å; L233-Y245 HydrophobicContact CD2-CE2 4.37Å; L233-A271 HydrophobicContact CD1-CB 3.83Å; L233-A271 HydrophobicContact CD2-CB 4.22Å |
| 234 | M | 91.2 | Very high | 91 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -68.5 | -28 | 179.8 | -67.7 | 166.8 | 67.7 | 0 | 0 | 113.3 | I25 C90 H91 L95 D230 Y231 G236 | I25-M234 HydrophobicContact CB-CE 4.48Å; I25-M234 HydrophobicContact CG2-CB 4.3Å; I25-M234 HydrophobicContact CG2-CE 3.76Å; C90-M234 HydrophobicContact CB-SD 4.07Å; H91-M234 HydrophobicContact CB-CE 4.41Å; H91-M234 HydrophobicContact CB-CG 4.29Å; H91-M234 HydrophobicContact CB-SD 3.97Å; H91-M234 PolarHBondContact N-SD 3.33Å; H91-M234 VanDerWaalsContact N-SD 3.45Å; L95-M234 HydrophobicContact CD1-CE 3.39Å; D230-M234 WeakPolarHBondContact O-CB 3.3Å; D230-M234 WeakPolarHBondContact O-CG 3.44Å; D230-M234 PolarHBondContact O-N 2.78Å; Y231-M234 PolarHBondContact O-N 2.82Å; M234-G236 PolarHBondContact O-N 2.68Å |
| 235 | T | 90 | Very high | 91.4 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | 7.9 | 173.6 | 61.1 | 0 | 0 | 0 | 0 | 113.9 | F176 L179 E180 Y231 T232 L233 | F176-T235 HydrophobicContact CD2-CG2 4.17Å; F176-T235 HydrophobicContact CE2-CG2 4.25Å; L179-T235 HydrophobicContact CB-CG2 3.78Å; E180-T235 PolarHBondContact OE2-OG1 2.97Å; Y231-T235 WeakPolarHBondContact O-CG2 3.42Å; Y231-T235 PolarHBondContact O-N 2.84Å; Y231-T235 PolarHBondContact O-OG1 2.68Å; Y231-T235 VanDerWaalsContact O-OG1 3.12Å; T232-T235 PolarHBondContact O-OG1 2.75Å; L233-T235 VanDerWaalsContact C-N 3.33Å; L233-T235 PolarHBondContact O-N 2.94Å |
| 236 | G | 85.7 | Confident | 91.6 | Very high | 42 Ų | 42 | 24.3 Ų | 24.3 | 43% | 0.433 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.8 | 16.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | L233 M234 | L233-G236 PolarHBondContact O-N 2.81Å; M234-G236 PolarHBondContact O-N 2.68Å |
| 237 | L | 88.5 | Confident | 91.5 | Very high | 17 Ų | 17 | 24.9 Ų | 24.9 | 9% | 0.089 | 14% | 0.142 | C | C | . | . | trans | -105.5 | 56 | -178.1 | -74.2 | 173.5 | 0 | 0 | 0 | 112.4 | T232 L240 A241 | T232-L237 HydrophobicContact CG2-CB 3.66Å; T232-L237 WeakPolarHBondContact O-CA 3.25Å; T232-L237 WeakPolarHBondContact O-CB 3.38Å; T232-L237 PolarHBondContact O-N 2.96Å; L237-L240 HydrophobicContact CB-CB 4.33Å; L237-L240 HydrophobicContact CB-CD1 4.35Å; L237-L240 HydrophobicContact CD1-CD1 4.06Å; L237-L240 HydrophobicContact CD2-CD1 4.05Å; L237-L240 HydrophobicContact CG-CD1 4.39Å; L237-L240 PolarHBondContact O-N 3.03Å; L237-L240 VanDerWaalsContact O-N 3.14Å; L237-A241 PolarHBondContact O-N 3.25Å | ||
| 238 | A | 89.1 | Confident | 91.6 | Very high | 7 Ų | 7 | 24.7 Ų | 24.7 | 6% | 0.058 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -54.9 | -42.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | L233 L240 A241 M242 V274 V275 | L233-A238 HydrophobicContact CD1-CB 3.78Å; A238-L240 PolarHBondContact O-N 2.87Å; A238-A241 WeakPolarHBondContact O-CB 3.48Å; A238-A241 PolarHBondContact O-N 2.83Å; A238-M242 WeakPolarHBondContact O-CG 3.11Å; A238-M242 PolarHBondContact O-N 2.9Å; A238-M242 VanDerWaalsContact O-N 3.11Å; A238-V274 HydrophobicContact CB-CB 4.27Å; A238-V274 HydrophobicContact CB-CG1 3.96Å; A238-V275 HydrophobicContact CB-CG2 3.7Å |
| 239 | P | 87.6 | Confident | 91.9 | Very high | 55 Ų | 55 | 24.7 Ų | 24.7 | 36% | 0.357 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -63.7 | -38 | 177.1 | -22.9 | 33.8 | 0 | 0 | 0 | 113.9 | M242 V275 | P239-M242 PolarHBondContact O-N 2.84Å; P239-V275 HydrophobicContact CG-CG2 3.87Å |
| 240 | L | 89.4 | Confident | 91.9 | Very high | 54 Ų | 54 | 31 Ų | 31 | 28% | 0.283 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -72.8 | -36.2 | 176.3 | -67.3 | 173.1 | 0 | 0 | 0 | 110.8 | T232 L237 A238 M242 Q243 E244 | T232-L240 HydrophobicContact CG2-CB 3.84Å; L237-L240 HydrophobicContact CB-CB 4.33Å; L237-L240 HydrophobicContact CB-CD1 4.35Å; L237-L240 HydrophobicContact CD1-CD1 4.06Å; L237-L240 HydrophobicContact CD2-CD1 4.05Å; L237-L240 HydrophobicContact CG-CD1 4.39Å; L237-L240 PolarHBondContact O-N 3.03Å; L237-L240 VanDerWaalsContact O-N 3.14Å; A238-L240 PolarHBondContact O-N 2.87Å; L240-M242 PolarHBondContact O-N 3.44Å; L240-Q243 WeakPolarHBondContact O-CB 3.44Å; L240-Q243 PolarHBondContact O-N 2.93Å; L240-E244 PolarHBondContact O-N 3.09Å; L240-E244 VanDerWaalsContact O-N 3.14Å |
| 241 | A | 93.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.8 | -38.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | T232 L233 L237 A238 Q243 E244 Y245 A271 | T232-A241 HydrophobicContact CG2-CB 3.91Å; L233-A241 HydrophobicContact CB-CB 3.81Å; L233-A241 HydrophobicContact CD1-CB 4.44Å; L237-A241 PolarHBondContact O-N 3.25Å; A238-A241 WeakPolarHBondContact O-CB 3.48Å; A238-A241 PolarHBondContact O-N 2.83Å; A241-Q243 VanDerWaalsContact C-N 3.29Å; A241-Q243 PolarHBondContact O-N 2.91Å; A241-E244 PolarHBondContact O-N 3.25Å; A241-Y245 HydrophobicContact CB-CD2 4.39Å; A241-Y245 HydrophobicContact CB-CE2 4.11Å; A241-Y245 WeakPolarHBondContact O-CD2 3.38Å; A241-Y245 PolarHBondContact O-N 3.36Å; A241-A271 HydrophobicContact CB-CB 4.39Å |
| 242 | M | 93.3 | Very high | 91.6 | Very high | 22 Ų | 22 | 32.2 Ų | 32.2 | 11% | 0.108 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -57.9 | -39.9 | 174.6 | -68.9 | 172.8 | 61.3 | 0 | 0 | 112.3 | A238 P239 L240 D246 Y268 A271 A272 V275 L321 | A238-M242 WeakPolarHBondContact O-CG 3.11Å; A238-M242 PolarHBondContact O-N 2.9Å; A238-M242 VanDerWaalsContact O-N 3.11Å; P239-M242 PolarHBondContact O-N 2.84Å; L240-M242 PolarHBondContact O-N 3.44Å; M242-D246 WeakPolarHBondContact O-CB 3.24Å; M242-D246 PolarHBondContact O-N 3.36Å; M242-Y268 HydrophobicContact CB-CD2 4.3Å; M242-Y268 HydrophobicContact CB-CE2 4.02Å; M242-Y268 HydrophobicContact CE-CE1 4.37Å; M242-Y268 HydrophobicContact CE-CE2 4.44Å; M242-Y268 WeakPolarHBondContact O-CD2 3.3Å; M242-Y268 WeakPolarHBondContact O-CE2 3.5Å; M242-A271 HydrophobicContact CG-CB 3.7Å; M242-A272 HydrophobicContact CE-CB 3.97Å; M242-A272 HydrophobicContact SD-CB 4.07Å; M242-V275 HydrophobicContact SD-CG2 4.06Å; M242-L321 HydrophobicContact CE-CD1 3.52Å; M242-L321 HydrophobicContact CE-CG 4.37Å |
| 243 | Q | 91.7 | Very high | 91.6 | Very high | 118 Ų | 118 | 36.9 Ų | 36.9 | 55% | 0.551 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -67.7 | -42 | 177.9 | -61.3 | 177.3 | 4.4 | 0 | 0 | 111.7 | L240 A241 D246 G247 | L240-Q243 WeakPolarHBondContact O-CB 3.44Å; L240-Q243 PolarHBondContact O-N 2.93Å; A241-Q243 VanDerWaalsContact C-N 3.29Å; A241-Q243 PolarHBondContact O-N 2.91Å; Q243-D246 PolarHBondContact O-N 2.76Å; Q243-G247 PolarHBondContact O-N 3.03Å |
| 244 | E | 92 | Very high | 91.4 | Very high | 68 Ų | 68 | 39.8 Ų | 39.8 | 32% | 0.318 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64 | -42.3 | 176.6 | -66.2 | -60.2 | 154.1 | 0 | 0 | 112 | I228 L240 A241 G247 A248 | I228-E244 HydrophobicContact CG2-CG 4.06Å; L240-E244 PolarHBondContact O-N 3.09Å; L240-E244 VanDerWaalsContact O-N 3.14Å; A241-E244 PolarHBondContact O-N 3.25Å; E244-G247 PolarHBondContact O-N 3.49Å; E244-A248 WeakPolarHBondContact O-CB 3.5Å; E244-A248 PolarHBondContact O-N 3.47Å |
| 245 | Y | 96.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.9 | -39.7 | 174.5 | -72.3 | -56.5 | 0 | 0 | 0 | 112.3 | K226 G229 D230 L233 A241 G247 A248 I249 G267 A271 | K226-Y245 HydrophobicContact CG-CD1 4.46Å; K226-Y245 HydrophobicContact CG-CE1 4.39Å; G229-Y245 VanDerWaalsContact C-CZ 3.49Å; D230-Y245 VanDerWaalsContact CA-OH 3.31Å; D230-Y245 WeakPolarHBondContact CA-OH 3.28Å; D230-Y245 PolarHBondContact N-OH 3.43Å; D230-Y245 PolarHBondContact OD1-OH 2.91Å; L233-Y245 HydrophobicContact CD2-CE2 4.37Å; A241-Y245 HydrophobicContact CB-CD2 4.39Å; A241-Y245 HydrophobicContact CB-CE2 4.11Å; A241-Y245 WeakPolarHBondContact O-CD2 3.38Å; A241-Y245 PolarHBondContact O-N 3.36Å; Y245-G247 VanDerWaalsContact C-N 3.35Å; Y245-G247 PolarHBondContact O-N 2.92Å; Y245-A248 CarbonylContact O-C 3.34Å; Y245-A248 WeakPolarHBondContact O-CB 3.48Å; Y245-A248 PolarHBondContact O-N 2.58Å; Y245-A248 VanDerWaalsContact O-N 3.1Å; Y245-I249 WeakPolarHBondContact O-CB 3.37Å; Y245-I249 WeakPolarHBondContact O-CD1 3.43Å; Y245-I249 WeakPolarHBondContact O-CG1 3.5Å; Y245-I249 PolarHBondContact O-N 3.13Å; Y245-G267 WeakPolarHBondContact CE2-O 3.34Å; Y245-A271 HydrophobicContact CD2-CB 4.48Å; Y245-A271 HydrophobicContact CE2-CB 4.3Å |
| 246 | D | 94.2 | Very high | 90.9 | Very high | 92 Ų | 92 | 44.6 Ų | 44.6 | 49% | 0.492 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.5 | -47.3 | 177.4 | -164.1 | 51.8 | 0 | 0 | 0 | 111 | M242 Q243 A248 I249 E250 Y268 | M242-D246 WeakPolarHBondContact O-CB 3.24Å; M242-D246 PolarHBondContact O-N 3.36Å; Q243-D246 PolarHBondContact O-N 2.76Å; D246-A248 VanDerWaalsContact C-N 3.27Å; D246-A248 PolarHBondContact O-N 2.92Å; D246-I249 PolarHBondContact O-N 2.73Å; D246-E250 PolarHBondContact O-N 3.09Å; D246-Y268 HydrophobicContact CB-CE2 4.17Å |
| 247 | G | 91.4 | Very high | 91 | Very high | 13 Ų | 13 | 43 Ų | 43 | 13% | 0.134 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.5 | -26.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q243 E244 Y245 Q251 | Q243-G247 PolarHBondContact O-N 3.03Å; E244-G247 PolarHBondContact O-N 3.49Å; Y245-G247 VanDerWaalsContact C-N 3.35Å; Y245-G247 PolarHBondContact O-N 2.92Å; G247-Q251 WeakPolarHBondContact O-CG 3.41Å |
| 248 | A | 93.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -75.3 | -44.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | K225 K226 E244 Y245 D246 E250 Q251 L252 | K225-A248 HydrophobicContact CB-CB 3.81Å; K226-A248 HydrophobicContact CB-CB 4.01Å; E244-A248 WeakPolarHBondContact O-CB 3.5Å; E244-A248 PolarHBondContact O-N 3.47Å; Y245-A248 CarbonylContact O-C 3.34Å; Y245-A248 WeakPolarHBondContact O-CB 3.48Å; Y245-A248 PolarHBondContact O-N 2.58Å; Y245-A248 VanDerWaalsContact O-N 3.1Å; D246-A248 VanDerWaalsContact C-N 3.27Å; D246-A248 PolarHBondContact O-N 2.92Å; A248-E250 VanDerWaalsContact C-N 3.31Å; A248-E250 PolarHBondContact O-N 2.89Å; A248-Q251 PolarHBondContact O-N 3.43Å; A248-L252 HydrophobicContact CB-CD1 4.34Å; A248-L252 WeakPolarHBondContact O-CB 3.49Å; A248-L252 VanDerWaalsContact O-CG 3.22Å; A248-L252 WeakPolarHBondContact O-CG 3.17Å; A248-L252 PolarHBondContact O-N 2.53Å |
| 249 | I | 96.1 | Very high | 91.2 | Very high | 10 Ų | 10 | 46.1 Ų | 46.1 | 5% | 0.051 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58 | -43.7 | 179.5 | -73.6 | 160.9 | 0 | 0 | 0 | 110.2 | Y245 D246 Q251 L252 K253 L261 A264 L265 Y268 | Y245-I249 WeakPolarHBondContact O-CB 3.37Å; Y245-I249 WeakPolarHBondContact O-CD1 3.43Å; Y245-I249 WeakPolarHBondContact O-CG1 3.5Å; Y245-I249 PolarHBondContact O-N 3.13Å; D246-I249 PolarHBondContact O-N 2.73Å; I249-Q251 PolarHBondContact O-N 2.91Å; I249-L252 PolarHBondContact O-N 2.98Å; I249-K253 HydrophobicContact CG2-CD 3.69Å; I249-K253 VanDerWaalsContact CG2-CE 3.43Å; I249-K253 HydrophobicContact CG2-CG 4.16Å; I249-K253 VanDerWaalsContact O-CB 3.22Å; I249-K253 WeakPolarHBondContact O-CB 3.48Å; I249-K253 VanDerWaalsContact O-CG 3.24Å; I249-K253 WeakPolarHBondContact O-CG 3.33Å; I249-K253 PolarHBondContact O-N 2.83Å; I249-L261 HydrophobicContact CB-CD1 4.42Å; I249-L261 HydrophobicContact CG1-CD1 4.38Å; I249-L261 HydrophobicContact CG2-CD1 4Å; I249-A264 HydrophobicContact CG1-CB 3.81Å; I249-L265 HydrophobicContact CD1-CD2 3.8Å; I249-L265 HydrophobicContact CD1-CG 4.31Å; I249-L265 HydrophobicContact CG1-CD2 4.15Å; I249-L265 HydrophobicContact CG1-CG 4.31Å; I249-L265 HydrophobicContact CG2-CD2 4.27Å; I249-Y268 HydrophobicContact CD1-CD2 4.22Å; I249-Y268 HydrophobicContact CD1-CG 4.24Å |
| 250 | E | 93 | Very high | 91.4 | Very high | 134 Ų | 134 | 43.5 Ų | 43.5 | 63% | 0.626 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -58.8 | -47.7 | 177.3 | -167.1 | -165.2 | 163.8 | 0 | 0 | 112.2 | D246 A248 A254 | D246-E250 PolarHBondContact O-N 3.09Å; A248-E250 VanDerWaalsContact C-N 3.31Å; A248-E250 PolarHBondContact O-N 2.89Å; E250-A254 WeakPolarHBondContact O-CB 3.44Å; E250-A254 PolarHBondContact O-N 3.37Å |
| 251 | Q | 90 | Very high | 91.6 | Very high | 40 Ų | 40 | 41.3 Ų | 41.3 | 19% | 0.187 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.6 | -42.1 | -179.7 | -63.1 | -63.2 | -36.2 | 0 | 0 | 112.1 | G247 A248 I249 A254 T255 | G247-Q251 WeakPolarHBondContact O-CG 3.41Å; A248-Q251 PolarHBondContact O-N 3.43Å; I249-Q251 PolarHBondContact O-N 2.91Å; Q251-A254 PolarHBondContact O-N 2.86Å; Q251-T255 WeakPolarHBondContact O-CG2 3.42Å; Q251-T255 PolarHBondContact O-N 2.83Å; Q251-T255 PolarHBondContact O-OG1 3.27Å |
| 252 | L | 92.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -72.9 | -38.8 | -177 | -66.1 | 167.3 | 0 | 0 | 0 | 111.7 | R223 A248 I249 A254 T255 D256 D257 W260 L261 A264 | R223-L252 HydrophobicContact CG-CD2 4.17Å; A248-L252 HydrophobicContact CB-CD1 4.34Å; A248-L252 WeakPolarHBondContact O-CB 3.49Å; A248-L252 VanDerWaalsContact O-CG 3.22Å; A248-L252 WeakPolarHBondContact O-CG 3.17Å; A248-L252 PolarHBondContact O-N 2.53Å; I249-L252 PolarHBondContact O-N 2.98Å; L252-A254 VanDerWaalsContact C-N 3.32Å; L252-A254 PolarHBondContact O-N 2.96Å; L252-T255 PolarHBondContact O-N 3.04Å; L252-T255 PolarHBondContact O-OG1 3.09Å; L252-T255 VanDerWaalsContact O-OG1 3.13Å; L252-D256 PolarHBondContact O-N 3.02Å; L252-D257 HydrophobicContact CD2-CB 3.85Å; L252-D257 PolarHBondContact O-N 2.96Å; L252-W260 HydrophobicContact CD1-CB 3.98Å; L252-W260 HydrophobicContact CD2-CB 3.89Å; L252-L261 HydrophobicContact CB-CB 4.11Å; L252-L261 HydrophobicContact CB-CD1 4.42Å; L252-A264 HydrophobicContact CD1-CB 4.09Å |
| 253 | K | 91.8 | Very high | 91.9 | Very high | 99 Ų | 99 | 40.3 Ų | 40.3 | 43% | 0.43 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -57.6 | -44.2 | 170.2 | -79 | 178.4 | 176.1 | 173 | 0 | 111.6 | I249 T255 D256 L261 | I249-K253 HydrophobicContact CG2-CD 3.69Å; I249-K253 VanDerWaalsContact CG2-CE 3.43Å; I249-K253 HydrophobicContact CG2-CG 4.16Å; I249-K253 VanDerWaalsContact O-CB 3.22Å; I249-K253 WeakPolarHBondContact O-CB 3.48Å; I249-K253 VanDerWaalsContact O-CG 3.24Å; I249-K253 WeakPolarHBondContact O-CG 3.33Å; I249-K253 PolarHBondContact O-N 2.83Å; K253-T255 PolarHBondContact O-N 3.3Å; K253-T255 VanDerWaalsContact O-N 3.09Å; K253-D256 PolarHBondContact O-N 2.99Å; K253-L261 HydrophobicContact CD-CD1 4.41Å; K253-L261 HydrophobicContact CG-CD1 3.56Å; K253-L261 HydrophobicContact CG-CD2 3.67Å; K253-L261 HydrophobicContact CG-CG 4.27Å |
| 254 | A | 87.6 | Confident | 92.1 | Very high | 64 Ų | 64 | 34.7 Ų | 34.7 | 53% | 0.529 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -4.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | E250 Q251 L252 | E250-A254 WeakPolarHBondContact O-CB 3.44Å; E250-A254 PolarHBondContact O-N 3.37Å; Q251-A254 PolarHBondContact O-N 2.86Å; L252-A254 VanDerWaalsContact C-N 3.32Å; L252-A254 PolarHBondContact O-N 2.96Å |
| 255 | T | 84.8 | Confident | 92.4 | Very high | 5 Ų | 5 | 31.6 Ų | 31.6 | 3% | 0.031 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.2 | 6.9 | -176.4 | 61.1 | 0 | 0 | 0 | 0 | 113.3 | T215 K218 R219 Q251 L252 K253 D257 | T215-T255 HydrophobicContact CG2-CG2 4.09Å; K218-T255 HydrophobicContact CB-CG2 3.53Å; K218-T255 HydrophobicContact CD-CG2 4.33Å; R219-T255 VanDerWaalsContact CG-CB 3.41Å; R219-T255 HydrophobicContact CG-CG2 3.83Å; R219-T255 VanDerWaalsContact CG-OG1 3.27Å; R219-T255 WeakPolarHBondContact CG-OG1 3.2Å; R219-T255 PolarHBondContact NE-O 2.87Å; R219-T255 PolarHBondContact NH2-O 3.3Å; Q251-T255 WeakPolarHBondContact O-CG2 3.42Å; Q251-T255 PolarHBondContact O-N 2.83Å; Q251-T255 PolarHBondContact O-OG1 3.27Å; L252-T255 PolarHBondContact O-N 3.04Å; L252-T255 PolarHBondContact O-OG1 3.09Å; L252-T255 VanDerWaalsContact O-OG1 3.13Å; K253-T255 PolarHBondContact O-N 3.3Å; K253-T255 VanDerWaalsContact O-N 3.09Å; T255-D257 PolarHBondContact O-N 2.89Å; T255-D257 VanDerWaalsContact O-N 3.17Å |
| 256 | D | 86 | Confident | 92.4 | Very high | 96 Ų | 96 | 31.6 Ų | 31.6 | 51% | 0.513 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51 | 34.7 | -177.7 | -61 | -48.6 | 0 | 0 | 0 | 113.9 | L252 K253 Y258 | L252-D256 PolarHBondContact O-N 3.02Å; K253-D256 PolarHBondContact O-N 2.99Å; D256-Y258 VanDerWaalsContact C-N 3.26Å; D256-Y258 HydrophobicContact CB-CE2 4.06Å; D256-Y258 WeakPolarHBondContact O-CD2 3.4Å; D256-Y258 PolarHBondContact O-N 3.26Å |
| 257 | D | 88 | Confident | 92.5 | Very high | 9 Ų | 9 | 27.2 Ų | 27.2 | 5% | 0.048 | 14% | 0.142 | C | C | . | . | trans | -82.3 | 72.2 | 176.3 | -166 | -20 | 0 | 0 | 0 | 110.2 | R219 R223 L252 T255 L259 W260 L261 | R219-D257 HydrophobicContact CG-CB 4.42Å; R223-D257 IonicContact CZ-OD2 3.48Å; R223-D257 IonicContact NE-OD2 3.49Å; R223-D257 PolarHBondContact NE-OD2 2.96Å; R223-D257 VanDerWaalsContact NH2-CG 3.35Å; R223-D257 IonicContact NH2-OD1 3.07Å; R223-D257 PolarHBondContact NH2-OD1 2.81Å; R223-D257 IonicContact NH2-OD2 2.85Å; R223-D257 PolarHBondContact NH2-OD2 2.88Å; L252-D257 HydrophobicContact CD2-CB 3.85Å; L252-D257 PolarHBondContact O-N 2.96Å; T255-D257 PolarHBondContact O-N 2.89Å; T255-D257 VanDerWaalsContact O-N 3.17Å; D257-L259 VanDerWaalsContact C-N 3.34Å; D257-L259 PolarHBondContact O-N 3.03Å; D257-W260 PolarHBondContact O-N 2.83Å; D257-W260 VanDerWaalsContact OD1-CD1 3.26Å; D257-L261 WeakPolarHBondContact O-CB 3.5Å; D257-L261 PolarHBondContact O-N 2.98Å | ||
| 258 | Y | 90.2 | Very high | 92.7 | Very high | 84 Ų | 84 | 28.4 Ų | 28.4 | 33% | 0.329 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -58.7 | -37.7 | -167.4 | -63.4 | -64.3 | 0 | 0 | 0 | 114.4 | D256 A262 N336 K339 | D256-Y258 VanDerWaalsContact C-N 3.26Å; D256-Y258 HydrophobicContact CB-CE2 4.06Å; D256-Y258 WeakPolarHBondContact O-CD2 3.4Å; D256-Y258 PolarHBondContact O-N 3.26Å; Y258-A262 VanDerWaalsContact O-CB 3.29Å; Y258-A262 WeakPolarHBondContact O-CB 3.49Å; Y258-A262 PolarHBondContact O-N 3.06Å; Y258-N336 WeakPolarHBondContact CD1-OD1 3.19Å; Y258-K339 HydrophobicContact CD1-CD 4.06Å; Y258-K339 HydrophobicContact CE1-CD 4.22Å; Y258-K339 HydrophobicContact CG-CD 4.28Å |
| 259 | L | 91.1 | Very high | 92.7 | Very high | 6 Ų | 6 | 28.4 Ų | 28.4 | 3% | 0.031 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.9 | -49.4 | -178.3 | -179.2 | 66.1 | 0 | 0 | 0 | 111 | W85 L88 V199 D257 A262 A263 Y337 L340 F342 A343 L346 | W85-L259 HydrophobicContact CZ3-CD1 4.11Å; W85-L259 HydrophobicContact CZ3-CD2 4.22Å; L88-L259 HydrophobicContact CD1-CD2 4.31Å; L88-L259 HydrophobicContact CD1-CG 3.98Å; L88-L259 HydrophobicContact CD2-CD1 3.84Å; L88-L259 HydrophobicContact CD2-CD2 4.26Å; L88-L259 HydrophobicContact CD2-CG 3.89Å; V199-L259 HydrophobicContact CB-CD2 4.45Å; V199-L259 HydrophobicContact CG2-CD2 4.23Å; D257-L259 VanDerWaalsContact C-N 3.34Å; D257-L259 PolarHBondContact O-N 3.03Å; L259-A262 PolarHBondContact O-N 3.22Å; L259-A263 PolarHBondContact O-N 3.19Å; L259-A263 VanDerWaalsContact O-N 3.11Å; L259-Y337 HydrophobicContact CD1-CD1 4.39Å; L259-Y337 HydrophobicContact CD1-CE1 4.07Å; L259-L340 HydrophobicContact CB-CD1 3.59Å; L259-L340 HydrophobicContact CD1-CD1 3.89Å; L259-L340 HydrophobicContact CG-CD1 4.33Å; L259-F342 HydrophobicContact CD1-CE2 4.49Å; L259-F342 HydrophobicContact CD1-CZ 4.37Å; L259-F342 HydrophobicContact CD2-CE2 4.18Å; L259-F342 HydrophobicContact CD2-CZ 4.04Å; L259-A343 HydrophobicContact CD1-CB 4.12Å; L259-L346 HydrophobicContact CD1-CD1 4.47Å |
| 260 | W | 92.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -73.3 | -34.4 | -179.6 | -73.3 | 81.3 | 0 | 0 | 0 | 111.6 | E87 L88 P197 V199 R223 K226 Q227 L252 D257 A263 A264 | E87-W260 VanDerWaalsContact O-CH2 3.25Å; E87-W260 WeakPolarHBondContact O-CH2 3.38Å; L88-W260 HydrophobicContact CD1-CB 4.45Å; L88-W260 HydrophobicContact CD1-CD2 3.56Å; L88-W260 HydrophobicContact CD1-CE3 3.98Å; L88-W260 HydrophobicContact CD1-CG 3.79Å; L88-W260 HydrophobicContact CD1-CZ2 4.33Å; P197-W260 HydrophobicContact CB-CH2 3.6Å; P197-W260 HydrophobicContact CB-CZ2 3.97Å; V199-W260 HydrophobicContact CG2-CZ2 3.91Å; R223-W260 HydrophobicContact CB-CD2 4.12Å; R223-W260 HydrophobicContact CB-CE3 3.72Å; R223-W260 HydrophobicContact CB-CH2 4.2Å; R223-W260 HydrophobicContact CB-CZ3 3.77Å; R223-W260 HydrophobicContact CG-CB 4.31Å; R223-W260 HydrophobicContact CG-CD2 3.49Å; R223-W260 VanDerWaalsContact CG-CD2 3.49Å; R223-W260 HydrophobicContact CG-CE3 3.62Å; R223-W260 HydrophobicContact CG-CG 3.8Å; R223-W260 HydrophobicContact CG-CH2 4.42Å; R223-W260 HydrophobicContact CG-CZ2 4.32Å; R223-W260 HydrophobicContact CG-CZ3 4.1Å; R223-W260 VanDerWaalsContact NH1-NE1 3.14Å; K226-W260 HydrophobicContact CD-CE3 4.34Å; K226-W260 HydrophobicContact CD-CZ3 4.47Å; Q227-W260 HydrophobicContact CG-CZ3 4.18Å; L252-W260 HydrophobicContact CD1-CB 3.98Å; L252-W260 HydrophobicContact CD2-CB 3.89Å; D257-W260 PolarHBondContact O-N 2.83Å; D257-W260 VanDerWaalsContact OD1-CD1 3.26Å; W260-A263 PolarHBondContact O-N 2.88Å; W260-A264 WeakPolarHBondContact O-CB 3.44Å; W260-A264 PolarHBondContact O-N 3.36Å |
| 261 | L | 94.7 | Very high | 92.6 | Very high | 8 Ų | 8 | 21.6 Ų | 21.6 | 4% | 0.042 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60 | -46.9 | 171.1 | 175 | 57.7 | 0 | 0 | 0 | 111.3 | I249 L252 K253 D257 A263 A264 L265 | I249-L261 HydrophobicContact CB-CD1 4.42Å; I249-L261 HydrophobicContact CG1-CD1 4.38Å; I249-L261 HydrophobicContact CG2-CD1 4Å; L252-L261 HydrophobicContact CB-CB 4.11Å; L252-L261 HydrophobicContact CB-CD1 4.42Å; K253-L261 HydrophobicContact CD-CD1 4.41Å; K253-L261 HydrophobicContact CG-CD1 3.56Å; K253-L261 HydrophobicContact CG-CD2 3.67Å; K253-L261 HydrophobicContact CG-CG 4.27Å; D257-L261 WeakPolarHBondContact O-CB 3.5Å; D257-L261 PolarHBondContact O-N 2.98Å; L261-A263 VanDerWaalsContact C-N 3.31Å; L261-A263 PolarHBondContact O-N 3.14Å; L261-A264 PolarHBondContact O-N 3.15Å; L261-L265 HydrophobicContact CD1-CD1 3.96Å; L261-L265 HydrophobicContact CD1-CG 4.08Å; L261-L265 HydrophobicContact CG-CD1 3.96Å; L261-L265 WeakPolarHBondContact O-CB 3.29Å; L261-L265 WeakPolarHBondContact O-CG 3.11Å; L261-L265 PolarHBondContact O-N 2.84Å |
| 262 | A | 95.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -59.1 | -44.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y258 L259 A264 L265 E266 N336 Y337 | Y258-A262 VanDerWaalsContact O-CB 3.29Å; Y258-A262 WeakPolarHBondContact O-CB 3.49Å; Y258-A262 PolarHBondContact O-N 3.06Å; L259-A262 PolarHBondContact O-N 3.22Å; A262-A264 PolarHBondContact O-N 3.35Å; A262-L265 PolarHBondContact O-N 2.88Å; A262-E266 WeakPolarHBondContact O-CB 3.48Å; A262-E266 PolarHBondContact O-N 2.97Å; A262-N336 HydrophobicContact CB-CB 3.7Å; A262-Y337 HydrophobicContact CB-CD1 3.69Å; A262-Y337 HydrophobicContact CB-CD2 3.79Å; A262-Y337 HydrophobicContact CB-CE1 3.65Å; A262-Y337 HydrophobicContact CB-CE2 3.75Å; A262-Y337 HydrophobicContact CB-CG 3.75Å |
| 263 | A | 95.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -67 | -33.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L88 Q89 K226 L259 W260 L261 G267 Y337 | L88-A263 HydrophobicContact CD1-CB 3.74Å; L88-A263 HydrophobicContact CD2-CB 4.2Å; L88-A263 HydrophobicContact CG-CB 3.76Å; Q89-A263 HydrophobicContact CG-CB 4.26Å; K226-A263 WeakPolarHBondContact CE-O 3.38Å; L259-A263 PolarHBondContact O-N 3.19Å; L259-A263 VanDerWaalsContact O-N 3.11Å; W260-A263 PolarHBondContact O-N 2.88Å; L261-A263 VanDerWaalsContact C-N 3.31Å; L261-A263 PolarHBondContact O-N 3.14Å; A263-G267 PolarHBondContact O-N 3.41Å; A263-Y337 VanDerWaalsContact CA-OH 3.23Å; A263-Y337 WeakPolarHBondContact CA-OH 3.35Å; A263-Y337 WeakPolarHBondContact CB-OH 3.31Å; A263-Y337 PolarHBondContact N-OH 2.8Å |
| 264 | A | 97.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -70.1 | -42.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | K226 I249 L252 W260 L261 A262 G267 Y268 | K226-A264 HydrophobicContact CG-CB 3.78Å; I249-A264 HydrophobicContact CG1-CB 3.81Å; L252-A264 HydrophobicContact CD1-CB 4.09Å; W260-A264 WeakPolarHBondContact O-CB 3.44Å; W260-A264 PolarHBondContact O-N 3.36Å; L261-A264 PolarHBondContact O-N 3.15Å; A262-A264 PolarHBondContact O-N 3.35Å; A264-G267 PolarHBondContact O-N 3.4Å; A264-Y268 WeakPolarHBondContact O-CB 3.47Å; A264-Y268 PolarHBondContact O-N 3.49Å |
| 265 | L | 97.8 | Very high | 92 | Very high | 4 Ų | 4 | 16.3 Ų | 16.3 | 2% | 0.021 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -63.5 | -43.8 | 174.4 | -71.1 | 165 | 0 | 0 | 0 | 111.7 | I249 L261 A262 Y268 A269 T329 Q332 A333 | I249-L265 HydrophobicContact CD1-CD2 3.8Å; I249-L265 HydrophobicContact CD1-CG 4.31Å; I249-L265 HydrophobicContact CG1-CD2 4.15Å; I249-L265 HydrophobicContact CG1-CG 4.31Å; I249-L265 HydrophobicContact CG2-CD2 4.27Å; L261-L265 HydrophobicContact CD1-CD1 3.96Å; L261-L265 HydrophobicContact CD1-CG 4.08Å; L261-L265 HydrophobicContact CG-CD1 3.96Å; L261-L265 WeakPolarHBondContact O-CB 3.29Å; L261-L265 WeakPolarHBondContact O-CG 3.11Å; L261-L265 PolarHBondContact O-N 2.84Å; A262-L265 PolarHBondContact O-N 2.88Å; L265-Y268 PolarHBondContact O-N 2.87Å; L265-A269 WeakPolarHBondContact O-CB 3.5Å; L265-A269 PolarHBondContact O-N 2.83Å; L265-T329 HydrophobicContact CB-CG2 4.17Å; L265-T329 HydrophobicContact CD2-CG2 3.87Å; L265-T329 WeakPolarHBondContact O-CG2 3.31Å; L265-Q332 HydrophobicContact CD1-CB 4.02Å; L265-A333 HydrophobicContact CB-CB 3.76Å |
| 266 | E | 96.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -60 | -47.3 | 173.4 | -174.5 | -166.7 | 144.7 | 0 | 0 | 110.9 | Q89 A262 Y268 A269 C270 F330 A333 Y337 K353 | Q89-E266 VanDerWaalsContact NE2-CD 3.28Å; Q89-E266 PolarHBondContact NE2-OE1 3.49Å; Q89-E266 PolarHBondContact NE2-OE2 2.59Å; A262-E266 WeakPolarHBondContact O-CB 3.48Å; A262-E266 PolarHBondContact O-N 2.97Å; E266-Y268 PolarHBondContact O-N 3.22Å; E266-A269 PolarHBondContact O-N 2.59Å; E266-C270 WeakPolarHBondContact O-CB 3.45Å; E266-C270 PolarHBondContact O-N 2.71Å; E266-C270 PolarHBondContact O-SG 3.08Å; E266-F330 HydrophobicContact CG-CE1 4.4Å; E266-A333 HydrophobicContact CB-CB 4.27Å; E266-Y337 WeakPolarHBondContact OE2-CE2 3.43Å; E266-Y337 PolarHBondContact OE2-OH 2.85Å; E266-K353 IonicContact OE1-NZ 2.77Å; E266-K353 PolarHBondContact OE1-NZ 2.87Å |
| 267 | G | 95.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -58.1 | -45.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y245 A263 A264 C270 A271 | Y245-G267 WeakPolarHBondContact CE2-O 3.34Å; A263-G267 PolarHBondContact O-N 3.41Å; A264-G267 PolarHBondContact O-N 3.4Å; G267-C270 PolarHBondContact O-N 3.41Å; G267-A271 WeakPolarHBondContact O-CB 3.25Å; G267-A271 PolarHBondContact O-N 2.99Å |
| 268 | Y | 95.8 | Very high | 90.1 | Very high | 38 Ų | 38 | 16.3 Ų | 16.3 | 15% | 0.149 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -59.9 | -49.5 | 175.5 | -174.6 | -84.1 | 0 | 0 | 0 | 111.9 | M242 D246 I249 A264 L265 E266 C270 A271 A272 L321 T329 | M242-Y268 HydrophobicContact CB-CD2 4.3Å; M242-Y268 HydrophobicContact CB-CE2 4.02Å; M242-Y268 HydrophobicContact CE-CE1 4.37Å; M242-Y268 HydrophobicContact CE-CE2 4.44Å; M242-Y268 WeakPolarHBondContact O-CD2 3.3Å; M242-Y268 WeakPolarHBondContact O-CE2 3.5Å; D246-Y268 HydrophobicContact CB-CE2 4.17Å; I249-Y268 HydrophobicContact CD1-CD2 4.22Å; I249-Y268 HydrophobicContact CD1-CG 4.24Å; A264-Y268 WeakPolarHBondContact O-CB 3.47Å; A264-Y268 PolarHBondContact O-N 3.49Å; L265-Y268 PolarHBondContact O-N 2.87Å; E266-Y268 PolarHBondContact O-N 3.22Å; Y268-C270 VanDerWaalsContact C-N 3.34Å; Y268-C270 PolarHBondContact O-N 3.04Å; Y268-A271 PolarHBondContact O-N 2.57Å; Y268-A272 WeakPolarHBondContact O-CB 3.27Å; Y268-A272 PolarHBondContact O-N 3.44Å; Y268-L321 HydrophobicContact CE1-CD1 3.51Å; Y268-T329 HydrophobicContact CD1-CG2 3.96Å |
| 269 | A | 94.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -64.4 | -38.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112 | L265 E266 A272 T273 I326 T329 F330 | L265-A269 WeakPolarHBondContact O-CB 3.5Å; L265-A269 PolarHBondContact O-N 2.83Å; E266-A269 PolarHBondContact O-N 2.59Å; A269-A272 PolarHBondContact O-N 3.46Å; A269-T273 WeakPolarHBondContact O-CB 3.49Å; A269-T273 PolarHBondContact O-N 3.02Å; A269-T273 PolarHBondContact O-OG1 3.15Å; A269-I326 HydrophobicContact CB-CG2 4.38Å; A269-T329 HydrophobicContact CB-CG2 3.99Å; A269-F330 HydrophobicContact CB-CD1 3.8Å; A269-F330 HydrophobicContact CB-CD2 3.68Å; A269-F330 HydrophobicContact CB-CE1 3.71Å; A269-F330 HydrophobicContact CB-CE2 3.6Å; A269-F330 HydrophobicContact CB-CG 3.78Å; A269-F330 HydrophobicContact CB-CZ 3.61Å |
| 270 | C | 93.6 | Very high | 85.7 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.4 | -45.8 | 172.9 | -72.1 | 0 | 0 | 0 | 0 | 111.9 | P19 N22 E266 G267 Y268 T273 V274 | P19-C270 HydrophobicContact CB-CB 4.34Å; N22-C270 HydrophobicContact CB-CB 3.89Å; E266-C270 WeakPolarHBondContact O-CB 3.45Å; E266-C270 PolarHBondContact O-N 2.71Å; E266-C270 PolarHBondContact O-SG 3.08Å; G267-C270 PolarHBondContact O-N 3.41Å; Y268-C270 VanDerWaalsContact C-N 3.34Å; Y268-C270 PolarHBondContact O-N 3.04Å; C270-T273 WeakPolarHBondContact O-CB 3.43Å; C270-T273 PolarHBondContact O-N 3.46Å; C270-V274 WeakPolarHBondContact O-CG2 3.5Å; C270-V274 PolarHBondContact O-N 3.32Å |
| 271 | A | 92.5 | Very high | 83 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.3 | -46.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | L233 A241 M242 Y245 G267 Y268 T273 V274 V275 | L233-A271 HydrophobicContact CD1-CB 3.83Å; L233-A271 HydrophobicContact CD2-CB 4.22Å; A241-A271 HydrophobicContact CB-CB 4.39Å; M242-A271 HydrophobicContact CG-CB 3.7Å; Y245-A271 HydrophobicContact CD2-CB 4.48Å; Y245-A271 HydrophobicContact CE2-CB 4.3Å; G267-A271 WeakPolarHBondContact O-CB 3.25Å; G267-A271 PolarHBondContact O-N 2.99Å; Y268-A271 PolarHBondContact O-N 2.57Å; A271-T273 VanDerWaalsContact C-N 3.31Å; A271-T273 PolarHBondContact O-N 2.8Å; A271-V274 PolarHBondContact O-N 2.99Å; A271-V274 VanDerWaalsContact O-N 3.16Å; A271-V275 WeakPolarHBondContact O-CG2 3.5Å; A271-V275 PolarHBondContact O-N 3.46Å |
| 272 | A | 91.1 | Very high | 80.2 | Confident | 5 Ų | 5 | 28.9 Ų | 28.9 | 4% | 0.041 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.4 | -38.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | M242 Y268 A269 V275 A276 L321 I326 | M242-A272 HydrophobicContact CE-CB 3.97Å; M242-A272 HydrophobicContact SD-CB 4.07Å; Y268-A272 WeakPolarHBondContact O-CB 3.27Å; Y268-A272 PolarHBondContact O-N 3.44Å; A269-A272 PolarHBondContact O-N 3.46Å; A272-V275 PolarHBondContact O-N 3.09Å; A272-A276 VanDerWaalsContact O-CB 3.32Å; A272-A276 WeakPolarHBondContact O-CB 3.5Å; A272-A276 PolarHBondContact O-N 2.84Å; A272-L321 HydrophobicContact CB-CD1 3.89Å; A272-I326 HydrophobicContact CB-CD1 3.97Å; A272-I326 HydrophobicContact CB-CG1 3.9Å; A272-I326 HydrophobicContact CB-CG2 4.3Å |
| 273 | T | 89 | Confident | 77.1 | Confident | 12 Ų | 12 | 34.7 Ų | 34.7 | 7% | 0.074 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.1 | -42.6 | 174.6 | -56.7 | 0 | 0 | 0 | 0 | 111.3 | P19 A269 C270 A271 V275 A276 F277 I326 L357 | P19-T273 HydrophobicContact CB-CG2 3.89Å; P19-T273 HydrophobicContact CG-CG2 4.01Å; A269-T273 WeakPolarHBondContact O-CB 3.49Å; A269-T273 PolarHBondContact O-N 3.02Å; A269-T273 PolarHBondContact O-OG1 3.15Å; C270-T273 WeakPolarHBondContact O-CB 3.43Å; C270-T273 PolarHBondContact O-N 3.46Å; A271-T273 VanDerWaalsContact C-N 3.31Å; A271-T273 PolarHBondContact O-N 2.8Å; T273-V275 VanDerWaalsContact C-N 3.33Å; T273-V275 PolarHBondContact O-N 2.5Å; T273-A276 PolarHBondContact O-N 2.93Å; T273-F277 HydrophobicContact CG2-CD2 3.89Å; T273-F277 HydrophobicContact CG2-CE2 4.49Å; T273-F277 WeakPolarHBondContact O-CD2 3.45Å; T273-F277 PolarHBondContact O-N 2.81Å; T273-I326 WeakPolarHBondContact OG1-CG2 3.39Å; T273-L357 HydrophobicContact CG2-CD1 4.14Å |
| 274 | V | 85.7 | Confident | 73.9 | Confident | 34 Ų | 34 | 39.9 Ų | 39.9 | 21% | 0.206 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.7 | -38.9 | 175.1 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | A23 A238 C270 A271 G278 | A23-V274 HydrophobicContact CB-CG2 4.36Å; A238-V274 HydrophobicContact CB-CB 4.27Å; A238-V274 HydrophobicContact CB-CG1 3.96Å; C270-V274 WeakPolarHBondContact O-CG2 3.5Å; C270-V274 PolarHBondContact O-N 3.32Å; A271-V274 PolarHBondContact O-N 2.99Å; A271-V274 VanDerWaalsContact O-N 3.16Å; V274-G278 WeakPolarHBondContact O-CA 3.41Å; V274-G278 PolarHBondContact O-N 2.82Å |
| 275 | V | 84.7 | Confident | 70.7 | Confident | 42 Ų | 42 | 43.4 Ų | 43.4 | 26% | 0.255 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66.6 | -39.8 | 174.6 | 174 | 0 | 0 | 0 | 0 | 111.6 | A238 P239 M242 A271 A272 T273 | A238-V275 HydrophobicContact CB-CG2 3.7Å; P239-V275 HydrophobicContact CG-CG2 3.87Å; M242-V275 HydrophobicContact SD-CG2 4.06Å; A271-V275 WeakPolarHBondContact O-CG2 3.5Å; A271-V275 PolarHBondContact O-N 3.46Å; A272-V275 PolarHBondContact O-N 3.09Å; T273-V275 VanDerWaalsContact C-N 3.33Å; T273-V275 PolarHBondContact O-N 2.5Å |
| 276 | A | 81.5 | Confident | 67.3 | Low | 33 Ų | 33 | 51.1 Ų | 51.1 | 27% | 0.273 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -72.9 | -40.8 | -178 | 0 | 0 | 0 | 0 | 0 | 113.3 | A272 T273 I326 | A272-A276 VanDerWaalsContact O-CB 3.32Å; A272-A276 WeakPolarHBondContact O-CB 3.5Å; A272-A276 PolarHBondContact O-N 2.84Å; T273-A276 PolarHBondContact O-N 2.93Å; A276-I326 HydrophobicContact CB-CD1 4.11Å |
| 277 | F | 74.9 | Confident | 64.1 | Low | 50 Ų | 50 | 56.4 Ų | 56.4 | 22% | 0.219 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -119.5 | -5.9 | -170.9 | -60.1 | -84.7 | 0 | 0 | 0 | 114.7 | T273 H279 A280 L357 E360 L361 | T273-F277 HydrophobicContact CG2-CD2 3.89Å; T273-F277 HydrophobicContact CG2-CE2 4.49Å; T273-F277 WeakPolarHBondContact O-CD2 3.45Å; T273-F277 PolarHBondContact O-N 2.81Å; F277-H279 PolarHBondContact O-N 3.05Å; F277-A280 WeakPolarHBondContact O-CB 3.39Å; F277-A280 PolarHBondContact O-N 2.75Å; F277-L357 HydrophobicContact CD2-CD1 4.11Å; F277-L357 HydrophobicContact CE2-CD1 3.29Å; F277-L357 HydrophobicContact CZ-CD1 3.9Å; F277-E360 HydrophobicContact CD1-CB 4.35Å; F277-E360 HydrophobicContact CE1-CB 4.21Å; F277-L361 HydrophobicContact CE1-CD2 4.4Å; F277-L361 HydrophobicContact CZ-CD2 3.69Å; F277-L361 HydrophobicContact CZ-CG 4.19Å |
| 278 | G | 61.8 | Low | 61 | Low | 27 Ų | 27 | 66.5 Ų | 66.5 | 28% | 0.278 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -25.9 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | V274 | V274-G278 WeakPolarHBondContact O-CA 3.41Å; V274-G278 PolarHBondContact O-N 2.82Å |
| 279 | H | 49.8 | Very low | 57.8 | Low | 152 Ų | 152 | 69 Ų | 69 | 70% | 0.704 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -28.7 | 174.5 | -65.8 | -74.7 | 0 | 0 | 0 | 113.4 | F277 | F277-H279 PolarHBondContact O-N 3.05Š|
| 280 | A | 40.3 | Very low | 54.8 | Low | 67 Ų | 67 | 75.2 Ų | 75.2 | 55% | 0.554 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -78.8 | -26.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113 | F277 M282 T283 | F277-A280 WeakPolarHBondContact O-CB 3.39Å; F277-A280 PolarHBondContact O-N 2.75Å; A280-M282 VanDerWaalsContact C-N 3.26Å; A280-M282 PolarHBondContact O-N 2.81Å; A280-T283 PolarHBondContact O-OG1 3.14Å |
| 281 | S | 35.9 | Very low | 51.8 | Low | 47 Ų | 47 | 81.9 Ų | 81.9 | 33% | 0.329 | 47% | 0.466 | S | S | . | . | G | 310 helix | trans | -80.8 | 1.4 | -178.5 | -172.9 | 0 | 0 | 0 | 0 | 114.1 | T283 | S281-T283 PolarHBondContact O-N 2.81Š|
| 282 | M | 34.7 | Very low | 48.9 | Very low | 96 Ų | 96 | 88.9 Ų | 88.9 | 47% | 0.473 | 50% | 0.497 | S | S | . | . | G | 310 helix | trans | -71.4 | -9.6 | 176.2 | -70.5 | -75.1 | 98.5 | 0 | 0 | 113.5 | A280 | A280-M282 VanDerWaalsContact C-N 3.26Å; A280-M282 PolarHBondContact O-N 2.81Å |
| 283 | T | 30.2 | Very low | 46.2 | Very low | 122 Ų | 122 | 93 Ų | 93 | 75% | 0.748 | 53% | 0.525 | S | S | * | . | G | 310 helix | trans | -84.7 | -2.4 | -176.2 | 54.1 | 0 | 0 | 0 | 0 | 115.3 | A280 S281 | A280-T283 PolarHBondContact O-OG1 3.14Å; S281-T283 PolarHBondContact O-N 2.81Å |
| 284 | T | 29 | Very low | 43.6 | Very low | 108 Ų | 108 | 101.4 Ų | 101.4 | 66% | 0.663 | 56% | 0.563 | S | S | * | * | G | 310 helix | trans | -100.9 | 5.3 | -178 | 62.9 | 0 | 0 | 0 | 0 | 115.2 | L286 | T284-L286 PolarHBondContact O-N 3.35Š|
| 285 | S | 29.1 | Very low | 41.1 | Very low | 74 Ų | 74 | 102.4 Ų | 102.4 | 52% | 0.517 | 58% | 0.581 | S | S | . | * | trans | -74.4 | 98.7 | 164.5 | -163.6 | 0 | 0 | 0 | 0 | 107 | V287 | S285-V287 PolarHBondContact O-N 2.8Š| ||
| 286 | L | 27.9 | Very low | 38.7 | Very low | 166 Ų | 166 | 103.2 Ų | 103.2 | 87% | 0.869 | 58% | 0.584 | S | S | * | * | trans | -59 | 86.3 | 168.7 | -77.5 | 160.8 | 0 | 0 | 0 | 107.7 | T284 R288 | T284-L286 PolarHBondContact O-N 3.35Å; L286-R288 PolarHBondContact O-N 2.74Å | ||
| 287 | V | 29.4 | Very low | 36.4 | Very low | 111 Ų | 111 | 109.4 Ų | 109.4 | 67% | 0.673 | 61% | 0.605 | S | S | * | * | trans | -63.5 | 111.1 | 165.9 | -178.9 | 0 | 0 | 0 | 0 | 104.7 | S285 V289 | S285-V287 PolarHBondContact O-N 2.8Å; V287-V289 HydrophobicContact CB-CG2 4.23Å; V287-V289 HydrophobicContact CG1-CG2 3.73Å; V287-V289 PolarHBondContact O-N 2.8Å | ||
| 288 | R | 30.6 | Very low | 34.3 | Very low | 213 Ų | 213 | 115 Ų | 115 | 80% | 0.804 | 63% | 0.629 | S | S | * | * | trans | -68.8 | 84.5 | 173.6 | -164.3 | 179.9 | -169.7 | 164.8 | 2.2 | 107 | L286 N290 | L286-R288 PolarHBondContact O-N 2.74Å; R288-N290 PolarHBondContact O-N 2.84Å | ||
| 289 | V | 28.3 | Very low | 32.9 | Very low | 91 Ų | 91 | 122.8 Ų | 122.8 | 55% | 0.552 | 65% | 0.65 | S | S | * | * | trans | -80.3 | 113.3 | 174.7 | -176 | 0 | 0 | 0 | 0 | 106.9 | V287 T291 F292 | V287-V289 HydrophobicContact CB-CG2 4.23Å; V287-V289 HydrophobicContact CG1-CG2 3.73Å; V287-V289 PolarHBondContact O-N 2.8Å; V289-T291 PolarHBondContact O-N 2.98Å; V289-F292 HydrophobicContact CG1-CD2 3.63Å; V289-F292 HydrophobicContact CG1-CE2 3.6Å | ||
| 290 | N | 31.3 | Very low | 32.1 | Very low | 129 Ų | 129 | 119 Ų | 119 | 69% | 0.69 | 65% | 0.645 | S | S | * | * | trans | -54.7 | 121.9 | 174 | -77 | -13.5 | 0 | 0 | 0 | 109.6 | R288 F292 | R288-N290 PolarHBondContact O-N 2.84Å; N290-F292 PolarHBondContact O-N 3.07Å | ||
| 291 | T | 30.5 | Very low | 31.6 | Very low | 140 Ų | 140 | 122.3 Ų | 122.3 | 86% | 0.859 | 65% | 0.653 | S | S | * | * | trans | 22.6 | 85 | 152.8 | 47.1 | 0 | 0 | 0 | 0 | 115.9 | V289 | V289-T291 PolarHBondContact O-N 2.98Š| ||
| 292 | F | 30.8 | Very low | 31.2 | Very low | 148 Ų | 148 | 126.7 Ų | 126.7 | 65% | 0.649 | 67% | 0.673 | S | S | * | * | trans | -90.3 | 139.3 | 160.3 | -86.7 | -78.3 | 0 | 0 | 0 | 110.4 | V289 N290 D296 | V289-F292 HydrophobicContact CG1-CD2 3.63Å; V289-F292 HydrophobicContact CG1-CE2 3.6Å; N290-F292 PolarHBondContact O-N 3.07Å; F292-D296 HydrophobicContact CD1-CB 4Å; F292-D296 WeakPolarHBondContact CD1-OD2 3.41Å; F292-D296 WeakPolarHBondContact CE1-OD2 3.37Å; F292-D296 HydrophobicContact CG-CB 4.46Å | ||
| 293 | S | 34.5 | Very low | 30.7 | Very low | 91 Ų | 91 | 128.2 Ų | 128.2 | 64% | 0.636 | 68% | 0.681 | S | S | * | * | trans | -73 | 154.6 | 170.9 | 46.3 | 0 | 0 | 0 | 0 | 111.1 | G295 D296 | S293-G295 PolarHBondContact O-N 3.34Å; S293-D296 PolarHBondContact O-N 3.39Å | ||
| 294 | E | 35.3 | Very low | 30.5 | Very low | 188 Ų | 188 | 127.8 Ų | 127.8 | 88% | 0.879 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.1 | -17.3 | -170.4 | -83.6 | -179.6 | 139.3 | 0 | 0 | 116.1 | D296 | E294-D296 PolarHBondContact O-N 3.5Š|
| 295 | G | 33.6 | Very low | 30.2 | Very low | 56 Ų | 56 | 133 Ų | 133 | 58% | 0.577 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | -30.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | S293 | S293-G295 PolarHBondContact O-N 3.34Š|
| 296 | D | 34.2 | Very low | 29.8 | Very low | 58 Ų | 58 | 139.9 Ų | 139.9 | 31% | 0.31 | 70% | 0.702 | S | S | . | * | H | α-helix | trans | -89.7 | -10.5 | -174.5 | -75.3 | -40.4 | 0 | 0 | 0 | 113.8 | F292 S293 E294 K298 R299 A300 | F292-D296 HydrophobicContact CD1-CB 4Å; F292-D296 WeakPolarHBondContact CD1-OD2 3.41Å; F292-D296 WeakPolarHBondContact CE1-OD2 3.37Å; F292-D296 HydrophobicContact CG-CB 4.46Å; S293-D296 PolarHBondContact O-N 3.39Å; E294-D296 PolarHBondContact O-N 3.5Å; D296-K298 PolarHBondContact O-N 3.13Å; D296-R299 PolarHBondContact O-N 3.23Å; D296-R299 IonicContact OD1-NH1 3.02Å; D296-A300 PolarHBondContact O-N 3.39Å |
| 297 | F | 31.8 | Very low | 29.7 | Very low | 163 Ų | 163 | 137.9 Ų | 137.9 | 72% | 0.715 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -63.9 | -30.4 | 175 | -145.1 | -88.3 | 0 | 0 | 0 | 111.9 | ||
| 298 | K | 32.1 | Very low | 29.4 | Very low | 168 Ų | 168 | 141.2 Ų | 141.2 | 73% | 0.73 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -73.5 | -35.5 | 175.3 | -71.9 | -170.7 | 176.3 | -178.5 | 0 | 112.6 | D296 D302 | D296-K298 PolarHBondContact O-N 3.13Å; K298-D302 PolarHBondContact O-N 3.29Å |
| 299 | R | 32.4 | Very low | 29 | Very low | 190 Ų | 190 | 134.9 Ų | 134.9 | 72% | 0.717 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -72.2 | -29.4 | 177.8 | -76 | -177.2 | -174.1 | 165.2 | 0.7 | 113.2 | D296 N301 | D296-R299 PolarHBondContact O-N 3.23Å; D296-R299 IonicContact OD1-NH1 3.02Å; R299-N301 VanDerWaalsContact C-N 3.34Å; R299-N301 PolarHBondContact O-N 3.3Å |
| 300 | A | 31 | Very low | 28.7 | Very low | 73 Ų | 73 | 133.4 Ų | 133.4 | 60% | 0.603 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -68.5 | -31.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | D296 | D296-A300 PolarHBondContact O-N 3.39Å |
| 301 | N | 31.7 | Very low | 28.5 | Very low | 136 Ų | 136 | 132.5 Ų | 132.5 | 73% | 0.727 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -84 | -25.5 | 177.6 | -94.3 | -14.2 | 0 | 0 | 0 | 113.7 | R299 | R299-N301 VanDerWaalsContact C-N 3.34Å; R299-N301 PolarHBondContact O-N 3.3Å |
| 302 | D | 27 | Very low | 28.5 | Very low | 139 Ų | 139 | 131.6 Ų | 131.6 | 74% | 0.743 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -89.7 | 3.5 | -178 | -77.9 | -20.2 | 0 | 0 | 0 | 114.2 | K298 P304 | K298-D302 PolarHBondContact O-N 3.29Å; D302-P304 WeakPolarHBondContact O-CD 3.11Å |
| 303 | M | 24.1 | Very low | 28.3 | Very low | 128 Ų | 128 | 129.9 Ų | 129.9 | 63% | 0.631 | 71% | 0.707 | S | S | * | * | trans | -101.2 | 97.9 | 172.2 | -161.9 | 99.8 | 85.8 | 0 | 0 | 110.8 | W305 | M303-W305 PolarHBondContact O-N 2.74Š| ||
| 304 | P | 25 | Very low | 28.1 | Very low | 114 Ų | 114 | 130.6 Ų | 130.6 | 74% | 0.74 | 71% | 0.708 | S | S | * | * | trans | -66.2 | 98 | 169.1 | 26.2 | -31 | 0 | 0 | 0 | 108.2 | D302 R306 | D302-P304 WeakPolarHBondContact O-CD 3.11Å; P304-R306 VanDerWaalsContact C-N 3.29Å; P304-R306 PolarHBondContact O-N 3.48Å | ||
| 305 | W | 23.4 | Very low | 28.1 | Very low | 217 Ų | 217 | 130.3 Ų | 130.3 | 82% | 0.822 | 70% | 0.703 | S | S | * | * | trans | -60.2 | 93.5 | 172 | -87.5 | 80.2 | 0 | 0 | 0 | 109.1 | M303 | M303-W305 PolarHBondContact O-N 2.74Š| ||
| 306 | R | 20.8 | Very low | 28.4 | Very low | 218 Ų | 218 | 134.5 Ų | 134.5 | 82% | 0.823 | 70% | 0.703 | S | S | * | * | trans | -62.4 | 125.9 | 160.6 | -75.7 | -174.8 | 177.3 | -160.8 | -0.1 | 106.5 | P304 Q308 | P304-R306 VanDerWaalsContact C-N 3.29Å; P304-R306 PolarHBondContact O-N 3.48Å; R306-Q308 PolarHBondContact O-N 3.35Å | ||
| 307 | P | 24.9 | Very low | 28.6 | Very low | 124 Ų | 124 | 135.9 Ų | 135.9 | 81% | 0.805 | 71% | 0.71 | S | S | * | * | trans | -57.4 | 115.6 | 171 | 23.3 | -29.4 | 0 | 0 | 0 | 106.7 | G309 | P307-G309 PolarHBondContact O-N 3.42Š| ||
| 308 | Q | 23.7 | Very low | 29.3 | Very low | 182 Ų | 182 | 132.6 Ų | 132.6 | 85% | 0.85 | 71% | 0.707 | S | S | * | * | trans | -55 | 113.1 | 172.4 | -83.3 | -178.8 | -1.8 | 0 | 0 | 106.6 | R306 G310 | R306-Q308 PolarHBondContact O-N 3.35Å; Q308-G310 PolarHBondContact O-N 2.87Å | ||
| 309 | G | 21.9 | Very low | 30.2 | Very low | 79 Ų | 79 | 132 Ų | 132 | 81% | 0.814 | 71% | 0.707 | S | S | * | * | trans | -66.1 | 77.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | P307 S311 | P307-G309 PolarHBondContact O-N 3.42Å; G309-S311 PolarHBondContact O-N 3.27Å | ||
| 310 | G | 23.4 | Very low | 31.4 | Very low | 60 Ų | 60 | 130.2 Ų | 130.2 | 62% | 0.619 | 70% | 0.7 | S | S | * | * | trans | -63.3 | 109.7 | 143.3 | 0 | 0 | 0 | 0 | 0 | 105.4 | Q308 V312 | Q308-G310 PolarHBondContact O-N 2.87Å; G310-V312 PolarHBondContact O-N 2.99Å | ||
| 311 | S | 25.9 | Very low | 33.1 | Very low | 111 Ų | 111 | 128.9 Ų | 128.9 | 78% | 0.776 | 68% | 0.682 | S | S | * | * | trans | -56.6 | 80.7 | 172.9 | 174.1 | 0 | 0 | 0 | 0 | 109.5 | G309 N313 | G309-S311 PolarHBondContact O-N 3.27Å; S311-N313 PolarHBondContact O-N 2.91Å; S311-N313 VanDerWaalsContact O-N 3.09Å | ||
| 312 | V | 30.3 | Very low | 35.4 | Very low | 121 Ų | 121 | 125 Ų | 125 | 73% | 0.733 | 67% | 0.666 | S | S | * | * | trans | -70.7 | 108 | 173.5 | 178.5 | 0 | 0 | 0 | 0 | 106 | G310 T314 | G310-V312 PolarHBondContact O-N 2.99Å; V312-T314 PolarHBondContact O-N 3.21Å | ||
| 313 | N | 28 | Very low | 37.9 | Very low | 111 Ų | 111 | 120.7 Ų | 120.7 | 59% | 0.594 | 65% | 0.646 | S | S | * | * | trans | -26.8 | 102.4 | 179.7 | -95.4 | -33.4 | 0 | 0 | 0 | 113 | S311 K315 Y316 | S311-N313 PolarHBondContact O-N 2.91Å; S311-N313 VanDerWaalsContact O-N 3.09Å; N313-K315 PolarHBondContact O-N 3.33Å; N313-Y316 HydrophobicContact CB-CD2 4.41Å; N313-Y316 PolarHBondContact O-N 3.32Å | ||
| 314 | T | 29.3 | Very low | 40.8 | Very low | 106 Ų | 106 | 119.8 Ų | 119.8 | 65% | 0.65 | 64% | 0.641 | S | S | * | * | G | 310 helix | trans | -56.4 | -12.7 | 175.8 | 2.3 | 0 | 0 | 0 | 0 | 113 | V312 Y316 L317 | V312-T314 PolarHBondContact O-N 3.21Å; T314-Y316 VanDerWaalsContact C-N 3.28Å; T314-Y316 PolarHBondContact O-N 2.89Å; T314-L317 HydrophobicContact CG2-CD1 3.72Å; T314-L317 PolarHBondContact O-N 3.1Å |
| 315 | K | 35 | Very low | 43.8 | Very low | 182 Ų | 182 | 118.8 Ų | 118.8 | 79% | 0.791 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -64 | -24.2 | 176 | -83.9 | -174.7 | 173 | 179.7 | 0 | 114.6 | N313 S318 | N313-K315 PolarHBondContact O-N 3.33Å; K315-S318 PolarHBondContact O-OG 2.89Å |
| 316 | Y | 39.6 | Very low | 47 | Very low | 145 Ų | 145 | 108.5 Ų | 108.5 | 57% | 0.569 | 59% | 0.587 | S | S | * | * | G | 310 helix | trans | -91.5 | -4.4 | 176 | -64.8 | -76.6 | 0 | 0 | 0 | 113.8 | N313 T314 S318 | N313-Y316 HydrophobicContact CB-CD2 4.41Å; N313-Y316 PolarHBondContact O-N 3.32Å; T314-Y316 VanDerWaalsContact C-N 3.28Å; T314-Y316 PolarHBondContact O-N 2.89Å; Y316-S318 VanDerWaalsContact C-N 3.28Å; Y316-S318 PolarHBondContact O-N 3.43Å |
| 317 | L | 40 | Very low | 50.2 | Low | 87 Ų | 87 | 99 Ų | 99 | 46% | 0.455 | 55% | 0.553 | S | S | . | * | G | 310 helix | trans | -77.4 | -10.5 | 177.6 | -78 | 166.5 | 0 | 0 | 0 | 113.5 | T314 H319 | T314-L317 HydrophobicContact CG2-CD1 3.72Å; T314-L317 PolarHBondContact O-N 3.1Å; L317-H319 PolarHBondContact O-N 2.87Å |
| 318 | S | 45.4 | Very low | 53.4 | Low | 93 Ų | 93 | 96.3 Ų | 96.3 | 65% | 0.65 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -68.4 | -14.9 | -178.4 | 58.1 | 0 | 0 | 0 | 0 | 114.4 | K315 Y316 | K315-S318 PolarHBondContact O-OG 2.89Å; Y316-S318 VanDerWaalsContact C-N 3.28Å; Y316-S318 PolarHBondContact O-N 3.43Å |
| 319 | H | 50.5 | Low | 56.7 | Low | 157 Ų | 157 | 88.4 Ų | 88.4 | 73% | 0.727 | 50% | 0.496 | S | S | * | . | G | 310 helix | trans | -118.6 | 34.4 | -176.8 | -80.6 | -81.3 | 0 | 0 | 0 | 114.1 | L317 L321 | L317-H319 PolarHBondContact O-N 2.87Å; H319-L321 PolarHBondContact O-N 2.84Å |
| 320 | R | 58 | Low | 60.2 | Low | 151 Ų | 151 | 84.7 Ų | 84.7 | 57% | 0.57 | 46% | 0.457 | S | S | * | . | trans | -67.7 | 103.9 | 166.3 | -77.2 | -162.9 | -167.4 | -148.5 | 3.7 | 109.3 | ||||
| 321 | L | 68.1 | Low | 63.6 | Low | 45 Ų | 45 | 85.1 Ų | 85.1 | 24% | 0.236 | 45% | 0.448 | C | S | . | . | trans | -55.4 | 141.4 | 164.6 | -71.3 | 158.3 | 0 | 0 | 0 | 109.2 | M242 Y268 A272 H319 Q325 I326 | M242-L321 HydrophobicContact CE-CD1 3.52Å; M242-L321 HydrophobicContact CE-CG 4.37Å; Y268-L321 HydrophobicContact CE1-CD1 3.51Å; A272-L321 HydrophobicContact CB-CD1 3.89Å; H319-L321 PolarHBondContact O-N 2.84Å; L321-Q325 HydrophobicContact CB-CB 4.33Å; L321-Q325 HydrophobicContact CD2-CB 4Å; L321-I326 HydrophobicContact CB-CG1 3.98Å; L321-I326 HydrophobicContact CD1-CG1 4.48Å | ||
| 322 | S | 79.7 | Confident | 66.9 | Low | 56 Ų | 56 | 83.9 Ų | 83.9 | 39% | 0.392 | 43% | 0.43 | S | S | . | . | trans | -61.1 | 148 | 167.3 | 65 | 0 | 0 | 0 | 0 | 109.6 | Q324 Q325 I326 | S322-Q324 PolarHBondContact O-N 2.73Å; S322-Q324 VanDerWaalsContact O-N 3.11Å; S322-Q325 WeakPolarHBondContact O-CB 3.29Å; S322-Q325 PolarHBondContact O-N 3.48Å; S322-Q325 VanDerWaalsContact OG-CD 3.27Å; S322-Q325 WeakPolarHBondContact OG-CG 3.2Å; S322-Q325 PolarHBondContact OG-N 3.5Å; S322-Q325 PolarHBondContact OG-OE1 3.08Å; S322-I326 PolarHBondContact O-N 3.2Å | ||
| 323 | S | 80 | Confident | 70.1 | Confident | 47 Ų | 47 | 78.1 Ų | 78.1 | 33% | 0.329 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -56.1 | -30 | 177.2 | -53.7 | 0 | 0 | 0 | 0 | 113 | L327 L361 | S323-L327 PolarHBondContact O-N 3.4Å; S323-L361 VanDerWaalsContact CB-CD2 3.47Å; S323-L361 WeakPolarHBondContact OG-CD2 3.4Å |
| 324 | Q | 83.8 | Confident | 73.2 | Confident | 109 Ų | 109 | 73.5 Ų | 73.5 | 51% | 0.509 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -67 | -44.8 | 174.7 | -171.8 | 60.1 | 34.6 | 0 | 0 | 111.9 | S322 I326 L327 D328 | S322-Q324 PolarHBondContact O-N 2.73Å; S322-Q324 VanDerWaalsContact O-N 3.11Å; Q324-I326 VanDerWaalsContact C-N 3.28Å; Q324-I326 PolarHBondContact O-N 3.48Å; Q324-L327 WeakPolarHBondContact O-CB 3.34Å; Q324-L327 PolarHBondContact O-N 2.85Å; Q324-L327 VanDerWaalsContact O-N 3.14Å; Q324-D328 PolarHBondContact NE2-OD1 2.87Å; Q324-D328 PolarHBondContact O-N 3.24Å |
| 325 | Q | 87.4 | Confident | 76.3 | Confident | 93 Ų | 93 | 70.8 Ų | 70.8 | 44% | 0.435 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.7 | -38.2 | 176.7 | -75.6 | 164.6 | -39 | 0 | 0 | 112.1 | L321 S322 D328 T329 | L321-Q325 HydrophobicContact CB-CB 4.33Å; L321-Q325 HydrophobicContact CD2-CB 4Å; S322-Q325 WeakPolarHBondContact O-CB 3.29Å; S322-Q325 PolarHBondContact O-N 3.48Å; S322-Q325 VanDerWaalsContact OG-CD 3.27Å; S322-Q325 WeakPolarHBondContact OG-CG 3.2Å; S322-Q325 PolarHBondContact OG-N 3.5Å; S322-Q325 PolarHBondContact OG-OE1 3.08Å; Q325-D328 PolarHBondContact O-N 2.81Å; Q325-T329 PolarHBondContact O-N 3.47Å; Q325-T329 PolarHBondContact O-OG1 2.99Å |
| 326 | I | 90.5 | Very high | 79.1 | Confident | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.01 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.4 | -45.2 | 175.8 | -56.2 | 175.7 | 0 | 0 | 0 | 110.3 | A269 A272 T273 A276 L321 S322 Q324 T329 F330 L357 | A269-I326 HydrophobicContact CB-CG2 4.38Å; A272-I326 HydrophobicContact CB-CD1 3.97Å; A272-I326 HydrophobicContact CB-CG1 3.9Å; A272-I326 HydrophobicContact CB-CG2 4.3Å; T273-I326 WeakPolarHBondContact OG1-CG2 3.39Å; A276-I326 HydrophobicContact CB-CD1 4.11Å; L321-I326 HydrophobicContact CB-CG1 3.98Å; L321-I326 HydrophobicContact CD1-CG1 4.48Å; S322-I326 PolarHBondContact O-N 3.2Å; Q324-I326 VanDerWaalsContact C-N 3.28Å; Q324-I326 PolarHBondContact O-N 3.48Å; I326-T329 WeakPolarHBondContact O-CB 3.46Å; I326-T329 PolarHBondContact O-N 2.6Å; I326-F330 HydrophobicContact CG2-CD2 4.32Å; I326-F330 HydrophobicContact CG2-CE2 4.12Å; I326-F330 WeakPolarHBondContact O-CD2 3.36Å; I326-F330 PolarHBondContact O-N 3.44Å; I326-F330 VanDerWaalsContact O-N 3.12Å; I326-L357 HydrophobicContact CB-CD2 4.01Å; I326-L357 HydrophobicContact CG2-CD2 3.58Å |
| 327 | L | 89.5 | Confident | 81.6 | Confident | 18 Ų | 18 | 56.1 Ų | 56.1 | 9% | 0.094 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 175.9 | -178.3 | 67 | 0 | 0 | 0 | 111.5 | S323 Q324 T329 F330 V331 A354 L357 L358 | S323-L327 PolarHBondContact O-N 3.4Å; Q324-L327 WeakPolarHBondContact O-CB 3.34Å; Q324-L327 PolarHBondContact O-N 2.85Å; Q324-L327 VanDerWaalsContact O-N 3.14Å; L327-T329 VanDerWaalsContact C-N 3.26Å; L327-T329 PolarHBondContact O-N 2.88Å; L327-F330 WeakPolarHBondContact O-CB 3.47Å; L327-F330 PolarHBondContact O-N 3.31Å; L327-F330 VanDerWaalsContact O-N 3.09Å; L327-V331 WeakPolarHBondContact O-CG2 3.33Å; L327-V331 PolarHBondContact O-N 2.96Å; L327-A354 HydrophobicContact CD1-CB 4.39Å; L327-L357 HydrophobicContact CB-CD2 4.39Å; L327-L358 HydrophobicContact CD1-CD1 4.14Å; L327-L358 HydrophobicContact CD1-CD2 4.11Å; L327-L358 HydrophobicContact CD1-CG 3.99Å; L327-L358 HydrophobicContact CD2-CD2 3.75Å |
| 328 | D | 91.3 | Very high | 84 | Confident | 68 Ų | 68 | 58.7 Ų | 58.7 | 36% | 0.364 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.1 | -34.2 | 178.4 | -63.6 | -21.7 | 0 | 0 | 0 | 111.5 | Q324 Q325 V331 Q332 | Q324-D328 PolarHBondContact NE2-OD1 2.87Å; Q324-D328 PolarHBondContact O-N 3.24Å; Q325-D328 PolarHBondContact O-N 2.81Å; D328-V331 PolarHBondContact O-N 3.02Å; D328-Q332 WeakPolarHBondContact O-CG 3.49Å; D328-Q332 PolarHBondContact O-N 2.85Å |
| 329 | T | 94.1 | Very high | 86 | Confident | 16 Ų | 16 | 59.8 Ų | 59.8 | 10% | 0.098 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.5 | -43 | 171.7 | -50.7 | 0 | 0 | 0 | 0 | 111.8 | L265 Y268 A269 Q325 I326 L327 V331 Q332 A333 | L265-T329 HydrophobicContact CB-CG2 4.17Å; L265-T329 HydrophobicContact CD2-CG2 3.87Å; L265-T329 WeakPolarHBondContact O-CG2 3.31Å; Y268-T329 HydrophobicContact CD1-CG2 3.96Å; A269-T329 HydrophobicContact CB-CG2 3.99Å; Q325-T329 PolarHBondContact O-N 3.47Å; Q325-T329 PolarHBondContact O-OG1 2.99Å; I326-T329 WeakPolarHBondContact O-CB 3.46Å; I326-T329 PolarHBondContact O-N 2.6Å; L327-T329 VanDerWaalsContact C-N 3.26Å; L327-T329 PolarHBondContact O-N 2.88Å; T329-V331 VanDerWaalsContact C-N 3.34Å; T329-V331 PolarHBondContact O-N 2.86Å; T329-Q332 PolarHBondContact O-N 2.99Å; T329-A333 PolarHBondContact O-N 2.82Å |
| 330 | F | 95.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.6 | -43.3 | 172.8 | -83.1 | -62.1 | 0 | 0 | 0 | 111.8 | P19 E266 A269 I326 L327 Q332 A333 I334 K353 A354 L357 | P19-F330 HydrophobicContact CG-CZ 4.44Å; E266-F330 HydrophobicContact CG-CE1 4.4Å; A269-F330 HydrophobicContact CB-CD1 3.8Å; A269-F330 HydrophobicContact CB-CD2 3.68Å; A269-F330 HydrophobicContact CB-CE1 3.71Å; A269-F330 HydrophobicContact CB-CE2 3.6Å; A269-F330 HydrophobicContact CB-CG 3.78Å; A269-F330 HydrophobicContact CB-CZ 3.61Å; I326-F330 HydrophobicContact CG2-CD2 4.32Å; I326-F330 HydrophobicContact CG2-CE2 4.12Å; I326-F330 WeakPolarHBondContact O-CD2 3.36Å; I326-F330 PolarHBondContact O-N 3.44Å; I326-F330 VanDerWaalsContact O-N 3.12Å; L327-F330 WeakPolarHBondContact O-CB 3.47Å; L327-F330 PolarHBondContact O-N 3.31Å; L327-F330 VanDerWaalsContact O-N 3.09Å; F330-Q332 VanDerWaalsContact C-N 3.31Å; F330-Q332 PolarHBondContact O-N 2.84Å; F330-A333 WeakPolarHBondContact O-CB 3.41Å; F330-A333 PolarHBondContact O-N 3.02Å; F330-A333 VanDerWaalsContact O-N 3.12Å; F330-I334 WeakPolarHBondContact O-CD1 3.44Å; F330-I334 VanDerWaalsContact O-CG1 3.26Å; F330-I334 WeakPolarHBondContact O-CG1 3.15Å; F330-I334 PolarHBondContact O-N 3.14Å; F330-K353 HydrophobicContact CE1-CB 3.92Å; F330-K353 HydrophobicContact CZ-CB 4.17Å; F330-A354 HydrophobicContact CB-CB 3.71Å; F330-A354 HydrophobicContact CD1-CB 4.27Å; F330-A354 HydrophobicContact CD2-CB 4.07Å; F330-A354 HydrophobicContact CG-CB 3.78Å; F330-L357 HydrophobicContact CD2-CD2 4.09Å; F330-L357 HydrophobicContact CE2-CD2 4.09Å |
| 331 | V | 94.3 | Very high | 88.9 | Confident | 69 Ų | 69 | 49.7 Ų | 49.7 | 42% | 0.418 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.7 | -41.3 | 177.1 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | L327 D328 T329 I334 A335 F370 | L327-V331 WeakPolarHBondContact O-CG2 3.33Å; L327-V331 PolarHBondContact O-N 2.96Å; D328-V331 PolarHBondContact O-N 3.02Å; T329-V331 VanDerWaalsContact C-N 3.34Å; T329-V331 PolarHBondContact O-N 2.86Å; V331-I334 PolarHBondContact O-N 3.05Å; V331-A335 WeakPolarHBondContact O-CB 3.44Å; V331-A335 PolarHBondContact O-N 3.39Å; V331-F370 HydrophobicContact CG2-CE2 4.45Å |
| 332 | Q | 94.9 | Very high | 89.7 | Confident | 86 Ų | 86 | 49.9 Ų | 49.9 | 40% | 0.402 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.4 | -39.9 | 173.4 | -72.5 | 174.8 | 55.9 | 0 | 0 | 112.3 | L265 D328 T329 F330 A335 N336 | L265-Q332 HydrophobicContact CD1-CB 4.02Å; D328-Q332 WeakPolarHBondContact O-CG 3.49Å; D328-Q332 PolarHBondContact O-N 2.85Å; T329-Q332 PolarHBondContact O-N 2.99Å; F330-Q332 VanDerWaalsContact C-N 3.31Å; F330-Q332 PolarHBondContact O-N 2.84Å; Q332-A335 PolarHBondContact O-N 2.05Å; Q332-N336 PolarHBondContact O-N 3.34Å; Q332-N336 VanDerWaalsContact O-N 3.13Å; Q332-N336 PolarHBondContact O-ND2 2.98Å |
| 333 | A | 96.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.6 | -48.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | L265 E266 T329 F330 A335 N336 Y337 | L265-A333 HydrophobicContact CB-CB 3.76Å; E266-A333 HydrophobicContact CB-CB 4.27Å; T329-A333 PolarHBondContact O-N 2.82Å; F330-A333 WeakPolarHBondContact O-CB 3.41Å; F330-A333 PolarHBondContact O-N 3.02Å; F330-A333 VanDerWaalsContact O-N 3.12Å; A333-A335 VanDerWaalsContact C-N 3.33Å; A333-A335 PolarHBondContact O-N 3.08Å; A333-N336 PolarHBondContact O-N 2.84Å; A333-Y337 WeakPolarHBondContact O-CD2 3.46Å; A333-Y337 PolarHBondContact O-N 3.11Å |
| 334 | I | 94.7 | Very high | 90.3 | Very high | 13 Ų | 13 | 45.5 Ų | 45.5 | 7% | 0.067 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58 | -45.6 | 176.9 | -66.1 | 160.5 | 0 | 0 | 0 | 110.4 | F330 V331 N336 Y337 K338 E347 C350 V351 F370 | F330-I334 WeakPolarHBondContact O-CD1 3.44Å; F330-I334 VanDerWaalsContact O-CG1 3.26Å; F330-I334 WeakPolarHBondContact O-CG1 3.15Å; F330-I334 PolarHBondContact O-N 3.14Å; V331-I334 PolarHBondContact O-N 3.05Å; I334-N336 VanDerWaalsContact C-N 3.29Å; I334-N336 PolarHBondContact O-N 2.76Å; I334-Y337 PolarHBondContact O-N 3.09Å; I334-K338 WeakPolarHBondContact O-CB 3.25Å; I334-K338 PolarHBondContact O-N 3.45Å; I334-E347 HydrophobicContact CG2-CG 4.01Å; I334-C350 HydrophobicContact CG1-CB 4.21Å; I334-V351 HydrophobicContact CD1-CB 4.44Å; I334-V351 HydrophobicContact CD1-CG2 3.73Å; I334-V351 HydrophobicContact CG1-CG2 3.92Å; I334-V351 HydrophobicContact CG2-CG2 4.07Å; I334-F370 HydrophobicContact CD1-CE2 4.26Å; I334-F370 HydrophobicContact CD1-CZ 3.82Å |
| 335 | A | 93.4 | Very high | 90.4 | Very high | 50 Ų | 50 | 44.1 Ų | 44.1 | 41% | 0.413 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.3 | -35.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V331 Q332 A333 | V331-A335 WeakPolarHBondContact O-CB 3.44Å; V331-A335 PolarHBondContact O-N 3.39Å; Q332-A335 PolarHBondContact O-N 2.05Å; A333-A335 VanDerWaalsContact C-N 3.33Å; A333-A335 PolarHBondContact O-N 3.08Å |
| 336 | N | 93.4 | Very high | 90.5 | Very high | 18 Ų | 18 | 39.7 Ų | 39.7 | 10% | 0.096 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -76 | -39.8 | 175.8 | -75.2 | -67.2 | 0 | 0 | 0 | 112.4 | Y258 A262 Q332 A333 I334 K338 K339 | Y258-N336 WeakPolarHBondContact CD1-OD1 3.19Å; A262-N336 HydrophobicContact CB-CB 3.7Å; Q332-N336 PolarHBondContact O-N 3.34Å; Q332-N336 VanDerWaalsContact O-N 3.13Å; Q332-N336 PolarHBondContact O-ND2 2.98Å; A333-N336 PolarHBondContact O-N 2.84Å; I334-N336 VanDerWaalsContact C-N 3.29Å; I334-N336 PolarHBondContact O-N 2.76Å; N336-K338 VanDerWaalsContact C-N 3.3Å; N336-K338 PolarHBondContact O-N 3.48Å; N336-K339 WeakPolarHBondContact O-CB 3.46Å; N336-K339 PolarHBondContact O-N 2.98Å |
| 337 | Y | 93.2 | Very high | 90.6 | Very high | 1 Ų | 1 | 40 Ų | 40 | 0% | 0.004 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.9 | -40.1 | 172.4 | -79.3 | -53.1 | 0 | 0 | 0 | 112.2 | Q89 L259 A262 A263 E266 A333 I334 K339 L340 A343 L346 C350 | Q89-Y337 PolarHBondContact NE2-OH 3.3Å; Q89-Y337 VanDerWaalsContact NE2-OH 3.12Å; L259-Y337 HydrophobicContact CD1-CD1 4.39Å; L259-Y337 HydrophobicContact CD1-CE1 4.07Å; A262-Y337 HydrophobicContact CB-CD1 3.69Å; A262-Y337 HydrophobicContact CB-CD2 3.79Å; A262-Y337 HydrophobicContact CB-CE1 3.65Å; A262-Y337 HydrophobicContact CB-CE2 3.75Å; A262-Y337 HydrophobicContact CB-CG 3.75Å; A263-Y337 VanDerWaalsContact CA-OH 3.23Å; A263-Y337 WeakPolarHBondContact CA-OH 3.35Å; A263-Y337 WeakPolarHBondContact CB-OH 3.31Å; A263-Y337 PolarHBondContact N-OH 2.8Å; E266-Y337 WeakPolarHBondContact OE2-CE2 3.43Å; E266-Y337 PolarHBondContact OE2-OH 2.85Å; A333-Y337 WeakPolarHBondContact O-CD2 3.46Å; A333-Y337 PolarHBondContact O-N 3.11Å; I334-Y337 PolarHBondContact O-N 3.09Å; Y337-K339 PolarHBondContact O-N 3.15Å; Y337-K339 VanDerWaalsContact O-N 3.13Å; Y337-L340 PolarHBondContact O-N 3.15Å; Y337-A343 HydrophobicContact CD1-CB 3.9Å; Y337-L346 HydrophobicContact CD1-CB 4.06Å; Y337-L346 HydrophobicContact CD1-CD1 4.42Å; Y337-L346 HydrophobicContact CE1-CB 3.81Å; Y337-L346 HydrophobicContact CE1-CD1 3.72Å; Y337-L346 HydrophobicContact CE1-CG 4.45Å; Y337-L346 HydrophobicContact CE2-CB 4.44Å; Y337-C350 HydrophobicContact CD2-CB 4.28Å; Y337-C350 HydrophobicContact CE2-CB 4.31Å |
| 338 | K | 89.2 | Confident | 90.6 | Very high | 140 Ų | 140 | 39.8 Ų | 39.8 | 61% | 0.609 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -58.3 | -25.2 | 178.7 | -172.9 | 177.5 | 177.2 | -178.1 | 0 | 113.5 | I334 N336 L340 | I334-K338 WeakPolarHBondContact O-CB 3.25Å; I334-K338 PolarHBondContact O-N 3.45Å; N336-K338 VanDerWaalsContact C-N 3.3Å; N336-K338 PolarHBondContact O-N 3.48Å; K338-L340 PolarHBondContact O-N 3.33Å |
| 339 | K | 88.6 | Confident | 90.5 | Very high | 116 Ų | 116 | 37 Ų | 37 | 50% | 0.504 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -14.8 | 175.2 | -63.4 | 175.8 | -178.3 | 175.9 | 0 | 113 | Y258 N336 Y337 | Y258-K339 HydrophobicContact CD1-CD 4.06Å; Y258-K339 HydrophobicContact CE1-CD 4.22Å; Y258-K339 HydrophobicContact CG-CD 4.28Å; N336-K339 WeakPolarHBondContact O-CB 3.46Å; N336-K339 PolarHBondContact O-N 2.98Å; Y337-K339 PolarHBondContact O-N 3.15Å; Y337-K339 VanDerWaalsContact O-N 3.13Å |
| 340 | L | 86.7 | Confident | 90.5 | Very high | 26 Ų | 26 | 36.2 Ų | 36.2 | 14% | 0.136 | 19% | 0.185 | C | C | . | . | trans | -121.5 | 97.2 | -170.4 | -59.3 | 174.5 | 0 | 0 | 0 | 110.2 | L259 Y337 K338 F342 A343 | L259-L340 HydrophobicContact CB-CD1 3.59Å; L259-L340 HydrophobicContact CD1-CD1 3.89Å; L259-L340 HydrophobicContact CG-CD1 4.33Å; Y337-L340 PolarHBondContact O-N 3.15Å; K338-L340 PolarHBondContact O-N 3.33Å; L340-F342 HydrophobicContact CB-CD1 4.21Å; L340-F342 HydrophobicContact CB-CE1 3.9Å; L340-F342 HydrophobicContact CD1-CE1 4.43Å; L340-F342 HydrophobicContact CD2-CE1 4.14Å; L340-F342 HydrophobicContact CG-CE1 4.38Å; L340-F342 PolarHBondContact O-N 3.17Å; L340-F342 VanDerWaalsContact O-N 3.1Å; L340-A343 HydrophobicContact CB-CB 3.98Å; L340-A343 WeakPolarHBondContact O-CB 3.44Å; L340-A343 PolarHBondContact O-N 2.83Å | ||
| 341 | P | 82.3 | Confident | 90.4 | Very high | 70 Ų | 70 | 36.2 Ų | 36.2 | 46% | 0.455 | 19% | 0.185 | S | C | . | . | G | 310 helix | trans | -58.9 | -26.1 | -175.7 | -27.2 | 35.2 | 0 | 0 | 0 | 115.4 | A343 T344 | P341-A343 VanDerWaalsContact C-N 3.25Å; P341-A343 PolarHBondContact O-N 3.35Å; P341-T344 PolarHBondContact O-OG1 2.96Å |
| 342 | F | 84.4 | Confident | 90.3 | Very high | 49 Ų | 49 | 32.9 Ų | 32.9 | 22% | 0.215 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -76.5 | -13.4 | 175.8 | 73.2 | -81.8 | 0 | 0 | 0 | 113.2 | W85 Y205 L259 L340 | W85-F342 AromaticContact CH2-CD2 3.58Å; W85-F342 HydrophobicContact CH2-CD2 3.58Å; W85-F342 AromaticContact CH2-CE2 3.57Å; W85-F342 HydrophobicContact CH2-CE2 3.57Å; W85-F342 HydrophobicContact CZ2-CD2 4.3Å; W85-F342 HydrophobicContact CZ3-CD2 4.5Å; W85-F342 HydrophobicContact CZ3-CE2 4.06Å; Y205-F342 HydrophobicContact CD1-CD1 4.01Å; Y205-F342 HydrophobicContact CD1-CE1 4.26Å; Y205-F342 AromaticContact CD2-CD1 3.27Å; Y205-F342 HydrophobicContact CD2-CD1 3.27Å; Y205-F342 AromaticContact CD2-CE1 3.46Å; Y205-F342 HydrophobicContact CD2-CE1 3.46Å; Y205-F342 VanDerWaalsContact CD2-CE1 3.46Å; Y205-F342 AromaticContact CD2-CG 3.92Å; Y205-F342 HydrophobicContact CD2-CG 3.92Å; Y205-F342 HydrophobicContact CD2-CZ 4.25Å; Y205-F342 AromaticContact CE1-CD1 4Å; Y205-F342 HydrophobicContact CE1-CD1 4Å; Y205-F342 HydrophobicContact CE2-CB 3.71Å; Y205-F342 AromaticContact CE2-CD1 3.27Å; Y205-F342 HydrophobicContact CE2-CD1 3.27Å; Y205-F342 HydrophobicContact CE2-CD2 4.5Å; Y205-F342 AromaticContact CE2-CE1 3.98Å; Y205-F342 HydrophobicContact CE2-CE1 3.98Å; Y205-F342 AromaticContact CE2-CG 3.58Å; Y205-F342 HydrophobicContact CE2-CG 3.58Å; Y205-F342 AromaticContact CG-CD1 3.65Å; Y205-F342 HydrophobicContact CG-CD1 3.65Å; Y205-F342 AromaticContact CG-CE1 3.62Å; Y205-F342 HydrophobicContact CG-CE1 3.62Å; Y205-F342 AromaticContact CZ-CD1 3.64Å; L259-F342 HydrophobicContact CD1-CE2 4.49Å; L259-F342 HydrophobicContact CD1-CZ 4.37Å; L259-F342 HydrophobicContact CD2-CE2 4.18Å; L259-F342 HydrophobicContact CD2-CZ 4.04Å; L340-F342 HydrophobicContact CB-CD1 4.21Å; L340-F342 HydrophobicContact CB-CE1 3.9Å; L340-F342 HydrophobicContact CD1-CE1 4.43Å; L340-F342 HydrophobicContact CD2-CE1 4.14Å; L340-F342 HydrophobicContact CG-CE1 4.38Å; L340-F342 PolarHBondContact O-N 3.17Å; L340-F342 VanDerWaalsContact O-N 3.1Å |
| 343 | A | 85.5 | Confident | 90.2 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -96.2 | 8.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L259 Y337 L340 P341 K345 L346 E347 | L259-A343 HydrophobicContact CD1-CB 4.12Å; Y337-A343 HydrophobicContact CD1-CB 3.9Å; L340-A343 HydrophobicContact CB-CB 3.98Å; L340-A343 WeakPolarHBondContact O-CB 3.44Å; L340-A343 PolarHBondContact O-N 2.83Å; P341-A343 VanDerWaalsContact C-N 3.25Å; P341-A343 PolarHBondContact O-N 3.35Å; A343-K345 PolarHBondContact O-N 2.68Å; A343-K345 VanDerWaalsContact O-N 3.09Å; A343-L346 HydrophobicContact CB-CD1 4.39Å; A343-L346 WeakPolarHBondContact O-CA 3.31Å; A343-L346 WeakPolarHBondContact O-CB 3.41Å; A343-L346 PolarHBondContact O-N 3.08Å; A343-E347 PolarHBondContact O-N 2.71Å |
| 344 | T | 87.6 | Confident | 90 | Very high | 12 Ų | 12 | 28.8 Ų | 28.8 | 7% | 0.074 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -50.4 | -37.2 | -179 | -59.7 | 0 | 0 | 0 | 0 | 113.7 | P341 E347 L348 F378 F383 Q385 I386 | P341-T344 PolarHBondContact O-OG1 2.96Å; T344-E347 WeakPolarHBondContact O-CB 3.36Å; T344-E347 PolarHBondContact O-N 2.72Å; T344-L348 PolarHBondContact O-N 2.83Å; T344-F378 HydrophobicContact CG2-CD1 4.28Å; T344-F378 HydrophobicContact CG2-CE1 3.78Å; T344-F383 HydrophobicContact CG2-CE1 3.76Å; T344-F383 HydrophobicContact CG2-CZ 3.64Å; T344-Q385 PolarHBondContact OG1-OE1 3.01Å; T344-I386 HydrophobicContact CG2-CD1 4.41Å |
| 345 | K | 86.2 | Confident | 89.8 | Confident | 79 Ų | 79 | 28.2 Ų | 28.2 | 34% | 0.343 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -68.4 | -34.2 | 177.4 | -62.2 | -167.4 | -178.1 | -157.7 | 0 | 112.5 | A343 E349 E390 | A343-K345 PolarHBondContact O-N 2.68Å; A343-K345 VanDerWaalsContact O-N 3.09Å; K345-E349 WeakPolarHBondContact O-CG 3.32Å; K345-E349 PolarHBondContact O-N 2.95Å; K345-E390 IonicContact NZ-OE1 3.99Å; K345-E390 PolarHBondContact NZ-OE1 2.83Å; K345-E390 IonicContact NZ-OE2 2.8Å; K345-E390 PolarHBondContact NZ-OE2 2.94Å |
| 346 | L | 89.5 | Confident | 89.5 | Confident | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -72 | -39.3 | 173.7 | -61.2 | 176.2 | 0 | 0 | 0 | 111 | W85 L88 R92 L259 Y337 A343 L348 E349 C350 | W85-L346 HydrophobicContact CD2-CD1 3.89Å; W85-L346 HydrophobicContact CD2-CD2 4.36Å; W85-L346 HydrophobicContact CD2-CG 4.36Å; W85-L346 HydrophobicContact CE3-CD1 3.57Å; W85-L346 HydrophobicContact CG-CD2 4.33Å; W85-L346 HydrophobicContact CH2-CD1 3.88Å; W85-L346 HydrophobicContact CZ2-CD1 4.24Å; W85-L346 HydrophobicContact CZ3-CD1 3.55Å; L88-L346 HydrophobicContact CD2-CD1 3.68Å; R92-L346 VanDerWaalsContact NH2-CD2 3.35Å; L259-L346 HydrophobicContact CD1-CD1 4.47Å; Y337-L346 HydrophobicContact CD1-CB 4.06Å; Y337-L346 HydrophobicContact CD1-CD1 4.42Å; Y337-L346 HydrophobicContact CE1-CB 3.81Å; Y337-L346 HydrophobicContact CE1-CD1 3.72Å; Y337-L346 HydrophobicContact CE1-CG 4.45Å; Y337-L346 HydrophobicContact CE2-CB 4.44Å; A343-L346 HydrophobicContact CB-CD1 4.39Å; A343-L346 WeakPolarHBondContact O-CA 3.31Å; A343-L346 WeakPolarHBondContact O-CB 3.41Å; A343-L346 PolarHBondContact O-N 3.08Å; L346-L348 VanDerWaalsContact C-N 3.3Å; L346-L348 PolarHBondContact O-N 2.64Å; L346-E349 PolarHBondContact O-N 3.02Å; L346-C350 WeakPolarHBondContact O-CB 3.36Å; L346-C350 PolarHBondContact O-N 3.02Å |
| 347 | E | 92 | Very high | 89.2 | Confident | 7 Ų | 7 | 25.9 Ų | 25.9 | 3% | 0.033 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -54 | -50.3 | 173 | -168.4 | -168.2 | -176.9 | 0 | 0 | 110.4 | I334 A343 T344 E349 C350 V351 K377 F378 | I334-E347 HydrophobicContact CG2-CG 4.01Å; A343-E347 PolarHBondContact O-N 2.71Å; T344-E347 WeakPolarHBondContact O-CB 3.36Å; T344-E347 PolarHBondContact O-N 2.72Å; E347-E349 PolarHBondContact O-N 2.78Å; E347-C350 PolarHBondContact O-N 3.35Å; E347-V351 VanDerWaalsContact O-CG2 3.27Å; E347-V351 WeakPolarHBondContact O-CG2 3.27Å; E347-V351 PolarHBondContact O-N 3.46Å; E347-K377 IonicContact OE1-NZ 2.81Å; E347-K377 PolarHBondContact OE1-NZ 2.95Å; E347-K377 IonicContact OE2-NZ 3.65Å; E347-K377 PolarHBondContact OE2-NZ 2.96Å; E347-F378 HydrophobicContact CG-CZ 4.25Å |
| 348 | L | 89.6 | Confident | 88.9 | Confident | 14 Ų | 14 | 26.1 Ų | 26.1 | 7% | 0.073 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.1 | -47.2 | 178.4 | -178.8 | 71.4 | 0 | 0 | 0 | 112.3 | T344 L346 C350 V351 F352 F378 I394 | T344-L348 PolarHBondContact O-N 2.83Å; L346-L348 VanDerWaalsContact C-N 3.3Å; L346-L348 PolarHBondContact O-N 2.64Å; L348-C350 VanDerWaalsContact C-N 3.34Å; L348-C350 PolarHBondContact O-N 3.34Å; L348-V351 WeakPolarHBondContact O-CB 3.48Å; L348-V351 PolarHBondContact O-N 3.27Å; L348-F352 HydrophobicContact CD1-CD2 4.12Å; L348-F352 HydrophobicContact CD1-CE2 3.81Å; L348-F352 HydrophobicContact CG-CD2 4.29Å; L348-F352 HydrophobicContact CG-CE2 4.35Å; L348-F352 WeakPolarHBondContact O-CD2 3.29Å; L348-F352 PolarHBondContact O-N 2.68Å; L348-F352 VanDerWaalsContact O-N 3.09Å; L348-F378 HydrophobicContact CB-CE2 4.44Å; L348-F378 HydrophobicContact CB-CZ 4.32Å; L348-F378 HydrophobicContact CD1-CD2 3.52Å; L348-F378 HydrophobicContact CD1-CE2 3.7Å; L348-F378 HydrophobicContact CD1-CG 4.04Å; L348-F378 HydrophobicContact CD1-CZ 4.33Å; L348-I394 HydrophobicContact CD1-CD1 3.8Å; L348-I394 HydrophobicContact CD1-CG1 4Å; L348-I394 HydrophobicContact CD1-CG2 4.48Å; L348-I394 HydrophobicContact CD2-CD1 3.55Å; L348-I394 HydrophobicContact CD2-CG1 3.73Å; L348-I394 HydrophobicContact CG-CD1 4.33Å; L348-I394 HydrophobicContact CG-CG1 4.41Å |
| 349 | E | 89.5 | Confident | 88.7 | Confident | 9 Ų | 9 | 20.1 Ų | 20.1 | 4% | 0.042 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62 | -42.5 | 178.2 | -69.8 | -176 | -144 | 0 | 0 | 111.9 | P17 R82 R92 K345 L346 E347 V351 F352 K353 | P17-E349 HydrophobicContact CB-CB 4.07Å; P17-E349 HydrophobicContact CB-CG 4.31Å; P17-E349 HydrophobicContact CG-CB 3.99Å; P17-E349 HydrophobicContact CG-CG 3.76Å; R82-E349 IonicContact CZ-OE1 3.22Å; R82-E349 IonicContact NH1-OE1 2.75Å; R82-E349 PolarHBondContact NH1-OE1 2.76Å; R92-E349 IonicContact CZ-OE1 3.38Å; R92-E349 IonicContact CZ-OE2 3.24Å; R92-E349 VanDerWaalsContact CZ-OE2 3.23Å; R92-E349 IonicContact NH1-OE1 3.7Å; R92-E349 PolarHBondContact NH1-OE1 2.9Å; R92-E349 IonicContact NH1-OE2 3.71Å; R92-E349 PolarHBondContact NH1-OE2 3.4Å; R92-E349 IonicContact NH2-OE1 3.12Å; R92-E349 IonicContact NH2-OE2 3.39Å; R92-E349 PolarHBondContact NH2-OE2 2.69Å; K345-E349 WeakPolarHBondContact O-CG 3.32Å; K345-E349 PolarHBondContact O-N 2.95Å; L346-E349 PolarHBondContact O-N 3.02Å; E347-E349 PolarHBondContact O-N 2.78Å; E349-V351 VanDerWaalsContact C-N 3.35Å; E349-V351 PolarHBondContact O-N 2.69Å; E349-F352 PolarHBondContact O-N 2.66Å; E349-K353 WeakPolarHBondContact O-CG 3.46Å; E349-K353 PolarHBondContact O-N 3.5Å |
| 350 | C | 94.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -62.1 | -41.4 | 176.8 | -171.7 | 0 | 0 | 0 | 0 | 111.8 | I334 Y337 L346 E347 L348 F352 K353 A354 | I334-C350 HydrophobicContact CG1-CB 4.21Å; Y337-C350 HydrophobicContact CD2-CB 4.28Å; Y337-C350 HydrophobicContact CE2-CB 4.31Å; L346-C350 WeakPolarHBondContact O-CB 3.36Å; L346-C350 PolarHBondContact O-N 3.02Å; E347-C350 PolarHBondContact O-N 3.35Å; L348-C350 VanDerWaalsContact C-N 3.34Å; L348-C350 PolarHBondContact O-N 3.34Å; C350-F352 PolarHBondContact O-N 3.06Å; C350-K353 PolarHBondContact O-N 2.93Å; C350-A354 PolarHBondContact O-N 3.4Å |
| 351 | V | 93.5 | Very high | 88.2 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -58.1 | -45.5 | 173.4 | 171.2 | 0 | 0 | 0 | 0 | 111.3 | I334 E347 L348 E349 A354 A355 F370 S375 | I334-V351 HydrophobicContact CD1-CB 4.44Å; I334-V351 HydrophobicContact CD1-CG2 3.73Å; I334-V351 HydrophobicContact CG1-CG2 3.92Å; I334-V351 HydrophobicContact CG2-CG2 4.07Å; E347-V351 VanDerWaalsContact O-CG2 3.27Å; E347-V351 WeakPolarHBondContact O-CG2 3.27Å; E347-V351 PolarHBondContact O-N 3.46Å; L348-V351 WeakPolarHBondContact O-CB 3.48Å; L348-V351 PolarHBondContact O-N 3.27Å; E349-V351 VanDerWaalsContact C-N 3.35Å; E349-V351 PolarHBondContact O-N 2.69Å; V351-A354 PolarHBondContact O-N 2.96Å; V351-A355 WeakPolarHBondContact O-CB 3.41Å; V351-A355 PolarHBondContact O-N 2.77Å; V351-F370 HydrophobicContact CG1-CE1 3.71Å; V351-F370 HydrophobicContact CG1-CZ 4.11Å; V351-F370 WeakPolarHBondContact O-CE1 3.21Å; V351-S375 WeakPolarHBondContact CG1-OG 3.24Å |
| 352 | F | 92.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -69.7 | -32.2 | 178.7 | -86.7 | -83.3 | 0 | 0 | 0 | 113.7 | P17 L348 E349 C350 A355 H356 F371 I394 W397 M398 L401 | P17-F352 HydrophobicContact CB-CB 4.29Å; P17-F352 HydrophobicContact CG-CB 4.3Å; L348-F352 HydrophobicContact CD1-CD2 4.12Å; L348-F352 HydrophobicContact CD1-CE2 3.81Å; L348-F352 HydrophobicContact CG-CD2 4.29Å; L348-F352 HydrophobicContact CG-CE2 4.35Å; L348-F352 WeakPolarHBondContact O-CD2 3.29Å; L348-F352 PolarHBondContact O-N 2.68Å; L348-F352 VanDerWaalsContact O-N 3.09Å; E349-F352 PolarHBondContact O-N 2.66Å; C350-F352 PolarHBondContact O-N 3.06Å; F352-A355 PolarHBondContact O-N 3.1Å; F352-H356 WeakPolarHBondContact O-CB 3.41Å; F352-H356 PolarHBondContact O-N 3.48Å; F352-F371 HydrophobicContact CD1-CE1 4.5Å; F352-F371 HydrophobicContact CE1-CE1 4.14Å; F352-F371 HydrophobicContact CE1-CZ 4.39Å; F352-I394 HydrophobicContact CE2-CG2 4.07Å; F352-I394 HydrophobicContact CZ-CG2 4.04Å; F352-W397 HydrophobicContact CD1-CB 3.95Å; F352-W397 HydrophobicContact CD1-CE3 4.33Å; F352-W397 AromaticContact CD2-CE3 3.89Å; F352-W397 HydrophobicContact CD2-CE3 3.89Å; F352-W397 HydrophobicContact CD2-CZ3 4.35Å; F352-W397 HydrophobicContact CE1-CB 3.33Å; F352-W397 HydrophobicContact CE1-CE3 4.29Å; F352-W397 HydrophobicContact CE1-CG 4.41Å; F352-W397 AromaticContact CE2-CE3 3.83Å; F352-W397 HydrophobicContact CE2-CE3 3.83Å; F352-W397 HydrophobicContact CG-CE3 4.14Å; F352-W397 HydrophobicContact CZ-CB 3.73Å; F352-W397 HydrophobicContact CZ-CE3 4.02Å; F352-M398 HydrophobicContact CE1-CG 3.92Å; F352-M398 HydrophobicContact CZ-CG 3.67Å; F352-L401 HydrophobicContact CD1-CD1 3.74Å; F352-L401 HydrophobicContact CE1-CD1 4.09Å |
| 353 | K | 91.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.6 | -42.8 | 171.9 | -69.4 | 176.8 | -171.6 | 178.5 | 0 | 111.4 | P17 P19 N22 E266 F330 E349 C350 H356 L357 | P17-K353 HydrophobicContact CB-CG 4.09Å; P19-K353 HydrophobicContact CG-CB 4.12Å; N22-K353 PolarHBondContact OD1-NZ 2.94Å; E266-K353 IonicContact OE1-NZ 2.77Å; E266-K353 PolarHBondContact OE1-NZ 2.87Å; F330-K353 HydrophobicContact CE1-CB 3.92Å; F330-K353 HydrophobicContact CZ-CB 4.17Å; E349-K353 WeakPolarHBondContact O-CG 3.46Å; E349-K353 PolarHBondContact O-N 3.5Å; C350-K353 PolarHBondContact O-N 2.93Å; K353-H356 WeakPolarHBondContact O-CB 3.46Å; K353-H356 PolarHBondContact O-N 2.87Å; K353-L357 PolarHBondContact O-N 2.93Å |
| 354 | A | 91.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.7 | -41 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L327 F330 C350 V351 H356 L357 L358 F370 | L327-A354 HydrophobicContact CD1-CB 4.39Å; F330-A354 HydrophobicContact CB-CB 3.71Å; F330-A354 HydrophobicContact CD1-CB 4.27Å; F330-A354 HydrophobicContact CD2-CB 4.07Å; F330-A354 HydrophobicContact CG-CB 3.78Å; C350-A354 PolarHBondContact O-N 3.4Å; V351-A354 PolarHBondContact O-N 2.96Å; A354-H356 VanDerWaalsContact C-N 3.31Å; A354-H356 PolarHBondContact O-N 2.86Å; A354-L357 WeakPolarHBondContact O-CB 3.38Å; A354-L357 PolarHBondContact O-N 3.39Å; A354-L358 PolarHBondContact O-N 3.02Å; A354-F370 HydrophobicContact CB-CE1 4.03Å; A354-F370 HydrophobicContact CB-CE2 4.42Å; A354-F370 HydrophobicContact CB-CZ 3.63Å |
| 355 | A | 91.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.3 | -36.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V351 F352 L357 L358 A359 L367 F370 F371 L401 | V351-A355 WeakPolarHBondContact O-CB 3.41Å; V351-A355 PolarHBondContact O-N 2.77Å; F352-A355 PolarHBondContact O-N 3.1Å; A355-L357 VanDerWaalsContact C-N 3.35Å; A355-L358 PolarHBondContact O-N 3.27Å; A355-A359 PolarHBondContact O-N 2.87Å; A355-L367 HydrophobicContact CB-CD1 3.73Å; A355-L367 WeakPolarHBondContact O-CD1 3.24Å; A355-F370 HydrophobicContact CB-CD1 4.28Å; A355-F370 HydrophobicContact CB-CE1 4.18Å; A355-F371 HydrophobicContact CB-CD1 4.36Å; A355-F371 HydrophobicContact CB-CE1 3.5Å; A355-F371 VanDerWaalsContact CB-CE1 3.5Å; A355-F371 HydrophobicContact CB-CZ 3.76Å; A355-L401 HydrophobicContact CB-CD1 3.93Å |
| 356 | H | 87.4 | Confident | 87.6 | Confident | 19 Ų | 19 | 32.5 Ų | 32.5 | 9% | 0.088 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.8 | -42.7 | 172.8 | -170.3 | -67.4 | 0 | 0 | 0 | 111.4 | W16 F352 K353 A354 A359 E360 | W16-H356 AromaticContact NE1-CD2 3.6Å; F352-H356 WeakPolarHBondContact O-CB 3.41Å; F352-H356 PolarHBondContact O-N 3.48Å; K353-H356 WeakPolarHBondContact O-CB 3.46Å; K353-H356 PolarHBondContact O-N 2.87Å; A354-H356 VanDerWaalsContact C-N 3.31Å; A354-H356 PolarHBondContact O-N 2.86Å; H356-A359 PolarHBondContact O-N 2.02Å; H356-E360 IonicContact CE1-OE1 3.98Å; H356-E360 PolarHBondContact CE1-OE1 3.11Å; H356-E360 VanDerWaalsContact CE1-OE1 3.28Å; H356-E360 WeakPolarHBondContact O-CG 3.4Å; H356-E360 PolarHBondContact O-N 2.68Å |
| 357 | L | 86.3 | Confident | 87.5 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.9 | -46.5 | 173.8 | 173.1 | 66.7 | 0 | 0 | 0 | 111.5 | T273 F277 I326 L327 F330 K353 A354 A355 A359 E360 L361 | T273-L357 HydrophobicContact CG2-CD1 4.14Å; F277-L357 HydrophobicContact CD2-CD1 4.11Å; F277-L357 HydrophobicContact CE2-CD1 3.29Å; F277-L357 HydrophobicContact CZ-CD1 3.9Å; I326-L357 HydrophobicContact CB-CD2 4.01Å; I326-L357 HydrophobicContact CG2-CD2 3.58Å; L327-L357 HydrophobicContact CB-CD2 4.39Å; F330-L357 HydrophobicContact CD2-CD2 4.09Å; F330-L357 HydrophobicContact CE2-CD2 4.09Å; K353-L357 PolarHBondContact O-N 2.93Å; A354-L357 WeakPolarHBondContact O-CB 3.38Å; A354-L357 PolarHBondContact O-N 3.39Å; A355-L357 VanDerWaalsContact C-N 3.35Å; L357-A359 VanDerWaalsContact C-N 3.3Å; L357-A359 PolarHBondContact O-N 2.78Å; L357-E360 PolarHBondContact O-N 3.43Å; L357-L361 HydrophobicContact CD1-CD1 4.22Å; L357-L361 HydrophobicContact CD1-CG 4.33Å; L357-L361 HydrophobicContact CG-CD1 4.03Å; L357-L361 VanDerWaalsContact O-CG 3.27Å; L357-L361 WeakPolarHBondContact O-CG 3.37Å; L357-L361 PolarHBondContact O-N 2.94Å |
| 358 | L | 87.1 | Confident | 87.3 | Confident | 5 Ų | 5 | 33.9 Ų | 33.9 | 3% | 0.026 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.2 | -37.2 | 177.3 | -72.8 | 172.9 | 0 | 0 | 0 | 112.9 | L327 A354 A355 L361 K362 T363 F366 L367 F370 | L327-L358 HydrophobicContact CD1-CD1 4.14Å; L327-L358 HydrophobicContact CD1-CD2 4.11Å; L327-L358 HydrophobicContact CD1-CG 3.99Å; L327-L358 HydrophobicContact CD2-CD2 3.75Å; A354-L358 PolarHBondContact O-N 3.02Å; A355-L358 PolarHBondContact O-N 3.27Å; L358-L361 PolarHBondContact O-N 2.83Å; L358-K362 PolarHBondContact O-N 3.08Å; L358-T363 PolarHBondContact O-N 3.12Å; L358-T363 PolarHBondContact O-OG1 3.25Å; L358-T363 VanDerWaalsContact O-OG1 3.12Å; L358-F366 HydrophobicContact CD2-CB 4.31Å; L358-L367 HydrophobicContact CB-CB 4.19Å; L358-L367 HydrophobicContact CB-CD1 4.04Å; L358-L367 HydrophobicContact CD1-CD1 4.47Å; L358-F370 HydrophobicContact CD1-CB 3.58Å; L358-F370 HydrophobicContact CD1-CD1 3.91Å; L358-F370 HydrophobicContact CD1-CD2 4.21Å; L358-F370 HydrophobicContact CD1-CG 3.63Å |
| 359 | A | 84.6 | Confident | 87.3 | Confident | 15 Ų | 15 | 38.2 Ų | 38.2 | 12% | 0.124 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.6 | -42.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A355 H356 L357 L361 K362 L367 L401 | A355-A359 PolarHBondContact O-N 2.87Å; H356-A359 PolarHBondContact O-N 2.02Å; L357-A359 VanDerWaalsContact C-N 3.3Å; L357-A359 PolarHBondContact O-N 2.78Å; A359-L361 VanDerWaalsContact C-N 3.31Å; A359-L361 PolarHBondContact O-N 3.11Å; A359-K362 PolarHBondContact O-N 3.46Å; A359-L367 HydrophobicContact CB-CD2 4.46Å; A359-L401 HydrophobicContact CB-CD2 3.95Å |
| 360 | E | 82.1 | Confident | 87.2 | Confident | 80 Ų | 80 | 38.8 Ų | 38.8 | 37% | 0.374 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -65.1 | -34.4 | 174.8 | -71.1 | -61.7 | 159.5 | 0 | 0 | 112.4 | F277 H356 L357 K362 | F277-E360 HydrophobicContact CD1-CB 4.35Å; F277-E360 HydrophobicContact CE1-CB 4.21Å; H356-E360 IonicContact CE1-OE1 3.98Å; H356-E360 PolarHBondContact CE1-OE1 3.11Å; H356-E360 VanDerWaalsContact CE1-OE1 3.28Å; H356-E360 WeakPolarHBondContact O-CG 3.4Å; H356-E360 PolarHBondContact O-N 2.68Å; L357-E360 PolarHBondContact O-N 3.43Å; E360-K362 PolarHBondContact O-N 2.83Å; E360-K362 VanDerWaalsContact O-N 3.16Å |
| 361 | L | 82.7 | Confident | 87 | Confident | 49 Ų | 49 | 38.8 Ų | 38.8 | 26% | 0.257 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -5.3 | 172.5 | -69.2 | 170.7 | 0 | 0 | 0 | 113.5 | F277 S323 L357 L358 A359 T363 | F277-L361 HydrophobicContact CE1-CD2 4.4Å; F277-L361 HydrophobicContact CZ-CD2 3.69Å; F277-L361 HydrophobicContact CZ-CG 4.19Å; S323-L361 VanDerWaalsContact CB-CD2 3.47Å; S323-L361 WeakPolarHBondContact OG-CD2 3.4Å; L357-L361 HydrophobicContact CD1-CD1 4.22Å; L357-L361 HydrophobicContact CD1-CG 4.33Å; L357-L361 HydrophobicContact CG-CD1 4.03Å; L357-L361 VanDerWaalsContact O-CG 3.27Å; L357-L361 WeakPolarHBondContact O-CG 3.37Å; L357-L361 PolarHBondContact O-N 2.94Å; L358-L361 PolarHBondContact O-N 2.83Å; A359-L361 VanDerWaalsContact C-N 3.31Å; A359-L361 PolarHBondContact O-N 3.11Å; L361-T363 HydrophobicContact CB-CG2 4.23Å; L361-T363 PolarHBondContact O-N 2.99Å |
| 362 | K | 82.3 | Confident | 86.7 | Confident | 178 Ų | 178 | 42.7 Ų | 42.7 | 77% | 0.774 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 41.4 | -177 | -58.1 | -176.5 | -179.4 | 179.6 | 0 | 112.2 | L358 A359 E360 P364 | L358-K362 PolarHBondContact O-N 3.08Å; A359-K362 PolarHBondContact O-N 3.46Å; E360-K362 PolarHBondContact O-N 2.83Å; E360-K362 VanDerWaalsContact O-N 3.16Å; K362-P364 WeakPolarHBondContact O-CD 3.48Å |
| 363 | T | 82.9 | Confident | 86.3 | Confident | 43 Ų | 43 | 48.8 Ų | 48.8 | 26% | 0.264 | 25% | 0.254 | S | S | . | . | trans | -109.1 | 72.1 | 180 | 52.1 | 0 | 0 | 0 | 0 | 111.7 | L358 L361 C365 F366 L367 | L358-T363 PolarHBondContact O-N 3.12Å; L358-T363 PolarHBondContact O-OG1 3.25Å; L358-T363 VanDerWaalsContact O-OG1 3.12Å; L361-T363 HydrophobicContact CB-CG2 4.23Å; L361-T363 PolarHBondContact O-N 2.99Å; T363-C365 PolarHBondContact O-N 3.4Å; T363-F366 HydrophobicContact CG2-CD2 4.41Å; T363-F366 PolarHBondContact O-N 3.21Å; T363-L367 PolarHBondContact O-N 2.83Å | ||
| 364 | P | 81.1 | Confident | 85.9 | Confident | 44 Ų | 44 | 49.9 Ų | 49.9 | 29% | 0.286 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.8 | -45 | -170.7 | 21.2 | -32.8 | 0 | 0 | 0 | 113.3 | K362 F366 L367 N368 F407 | K362-P364 WeakPolarHBondContact O-CD 3.48Å; P364-F366 VanDerWaalsContact C-N 3.31Å; P364-F366 PolarHBondContact O-N 3.3Å; P364-L367 WeakPolarHBondContact O-CB 3.4Å; P364-L367 PolarHBondContact O-N 3.02Å; P364-N368 PolarHBondContact O-N 2.58Å; P364-F407 VanDerWaalsContact C-CE2 3.48Å; P364-F407 HydrophobicContact CB-CD2 3.94Å; P364-F407 HydrophobicContact CB-CE2 3.25Å; P364-F407 HydrophobicContact CB-CZ 3.61Å; P364-F407 VanDerWaalsContact O-CE2 3.28Å; P364-F407 WeakPolarHBondContact O-CE2 3.35Å |
| 365 | C | 84.1 | Confident | 85.5 | Confident | 94 Ų | 94 | 49.9 Ų | 49.9 | 64% | 0.635 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -59.5 | -42.4 | -179.5 | -65.4 | 0 | 0 | 0 | 0 | 112.4 | T363 N368 Q369 | T363-C365 PolarHBondContact O-N 3.4Å; C365-N368 PolarHBondContact O-N 3.11Å; C365-Q369 PolarHBondContact O-N 3.4Å |
| 366 | F | 84.1 | Confident | 85.2 | Confident | 124 Ų | 124 | 51.7 Ų | 51.7 | 54% | 0.544 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -68.8 | -41.9 | 177.3 | -74.1 | -74.8 | 0 | 0 | 0 | 112.1 | L358 T363 P364 N368 Q369 F370 | L358-F366 HydrophobicContact CD2-CB 4.31Å; T363-F366 HydrophobicContact CG2-CD2 4.41Å; T363-F366 PolarHBondContact O-N 3.21Å; P364-F366 VanDerWaalsContact C-N 3.31Å; P364-F366 PolarHBondContact O-N 3.3Å; F366-N368 VanDerWaalsContact C-N 3.26Å; F366-N368 PolarHBondContact O-N 3.34Å; F366-Q369 PolarHBondContact O-N 3.46Å; F366-F370 VanDerWaalsContact O-CB 3.24Å; F366-F370 WeakPolarHBondContact O-CB 3.43Å; F366-F370 PolarHBondContact O-N 2.77Å |
| 367 | L | 88 | Confident | 85.1 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -54.5 | -45.5 | 172.6 | 176.8 | 66.6 | 0 | 0 | 0 | 111.4 | A355 L358 A359 T363 P364 F370 F371 L401 S405 | A355-L367 HydrophobicContact CB-CD1 3.73Å; A355-L367 WeakPolarHBondContact O-CD1 3.24Å; L358-L367 HydrophobicContact CB-CB 4.19Å; L358-L367 HydrophobicContact CB-CD1 4.04Å; L358-L367 HydrophobicContact CD1-CD1 4.47Å; A359-L367 HydrophobicContact CB-CD2 4.46Å; T363-L367 PolarHBondContact O-N 2.83Å; P364-L367 WeakPolarHBondContact O-CB 3.4Å; P364-L367 PolarHBondContact O-N 3.02Å; L367-F370 PolarHBondContact O-N 3.37Å; L367-F371 HydrophobicContact CD1-CD2 4.02Å; L367-F371 HydrophobicContact CD1-CE1 4.42Å; L367-F371 HydrophobicContact CD1-CE2 3.6Å; L367-F371 HydrophobicContact CD1-CZ 3.84Å; L367-F371 HydrophobicContact CD2-CE2 4.05Å; L367-F371 HydrophobicContact CG-CD2 3.94Å; L367-F371 HydrophobicContact CG-CE2 3.71Å; L367-F371 HydrophobicContact CG-CZ 4.44Å; L367-F371 WeakPolarHBondContact O-CD2 3.42Å; L367-F371 PolarHBondContact O-N 3.19Å; L367-L401 HydrophobicContact CD2-CB 4.46Å; L367-S405 WeakPolarHBondContact CD2-OG 3.23Å |
| 368 | N | 87.9 | Confident | 85 | Confident | 36 Ų | 36 | 52.8 Ų | 52.8 | 19% | 0.193 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.1 | -45.7 | 178.6 | 176.6 | 61.2 | 0 | 0 | 0 | 112.9 | P364 C365 F366 F370 F371 T372 Y402 F407 K410 | P364-N368 PolarHBondContact O-N 2.58Å; C365-N368 PolarHBondContact O-N 3.11Å; F366-N368 VanDerWaalsContact C-N 3.26Å; F366-N368 PolarHBondContact O-N 3.34Å; N368-F370 VanDerWaalsContact C-N 3.26Å; N368-F370 PolarHBondContact O-N 3.49Å; N368-F371 PolarHBondContact O-N 3.43Å; N368-T372 PolarHBondContact O-N 3.4Å; N368-T372 PolarHBondContact O-OG1 3.15Å; N368-Y402 HydrophobicContact CB-CE1 4.25Å; N368-Y402 PolarHBondContact OD1-OH 2.93Å; N368-F407 HydrophobicContact CB-CE2 4.35Å; N368-K410 PolarHBondContact ND2-NZ 3.03Å; N368-K410 VanDerWaalsContact ND2-NZ 3.11Å; N368-K410 PolarHBondContact OD1-NZ 3.48Å |
| 369 | Q | 88.3 | Confident | 85 | Confident | 105 Ų | 105 | 53.5 Ų | 53.5 | 49% | 0.491 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.6 | -42.9 | 176 | -177.2 | 178.5 | 0.2 | 0 | 0 | 110.6 | C365 F366 T372 L373 | C365-Q369 PolarHBondContact O-N 3.4Å; F366-Q369 PolarHBondContact O-N 3.46Å; Q369-T372 WeakPolarHBondContact O-CB 3.38Å; Q369-T372 PolarHBondContact O-N 2.87Å; Q369-L373 HydrophobicContact CG-CD1 4.07Å; Q369-L373 WeakPolarHBondContact O-CG 3.4Å; Q369-L373 PolarHBondContact O-N 2.84Å |
| 370 | F | 88.8 | Confident | 85 | Confident | 22 Ų | 22 | 58.1 Ų | 58.1 | 10% | 0.096 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.8 | -46.8 | 177.9 | -178.1 | -99.9 | 0 | 0 | 0 | 112.2 | V331 I334 V351 A354 A355 L358 F366 L367 N368 T372 L373 S374 | V331-F370 HydrophobicContact CG2-CE2 4.45Å; I334-F370 HydrophobicContact CD1-CE2 4.26Å; I334-F370 HydrophobicContact CD1-CZ 3.82Å; V351-F370 HydrophobicContact CG1-CE1 3.71Å; V351-F370 HydrophobicContact CG1-CZ 4.11Å; V351-F370 WeakPolarHBondContact O-CE1 3.21Å; A354-F370 HydrophobicContact CB-CE1 4.03Å; A354-F370 HydrophobicContact CB-CE2 4.42Å; A354-F370 HydrophobicContact CB-CZ 3.63Å; A355-F370 HydrophobicContact CB-CD1 4.28Å; A355-F370 HydrophobicContact CB-CE1 4.18Å; L358-F370 HydrophobicContact CD1-CB 3.58Å; L358-F370 HydrophobicContact CD1-CD1 3.91Å; L358-F370 HydrophobicContact CD1-CD2 4.21Å; L358-F370 HydrophobicContact CD1-CG 3.63Å; F366-F370 VanDerWaalsContact O-CB 3.24Å; F366-F370 WeakPolarHBondContact O-CB 3.43Å; F366-F370 PolarHBondContact O-N 2.77Å; L367-F370 PolarHBondContact O-N 3.37Å; N368-F370 VanDerWaalsContact C-N 3.26Å; N368-F370 PolarHBondContact O-N 3.49Å; F370-T372 VanDerWaalsContact C-N 3.31Å; F370-T372 PolarHBondContact O-N 3.04Å; F370-L373 PolarHBondContact O-N 3.48Å; F370-S374 VanDerWaalsContact O-CB 3.24Å; F370-S374 WeakPolarHBondContact O-CB 3.36Å; F370-S374 PolarHBondContact O-N 2.92Å; F370-S374 PolarHBondContact O-OG 2.76Å |
| 371 | F | 89.7 | Confident | 84.7 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.3 | -39.2 | 174.7 | -77.7 | -38.5 | 0 | 0 | 0 | 112.9 | F352 A355 L367 N368 L373 S375 C376 M398 L401 Y402 | F352-F371 HydrophobicContact CD1-CE1 4.5Å; F352-F371 HydrophobicContact CE1-CE1 4.14Å; F352-F371 HydrophobicContact CE1-CZ 4.39Å; A355-F371 HydrophobicContact CB-CD1 4.36Å; A355-F371 HydrophobicContact CB-CE1 3.5Å; A355-F371 VanDerWaalsContact CB-CE1 3.5Å; A355-F371 HydrophobicContact CB-CZ 3.76Å; L367-F371 HydrophobicContact CD1-CD2 4.02Å; L367-F371 HydrophobicContact CD1-CE1 4.42Å; L367-F371 HydrophobicContact CD1-CE2 3.6Å; L367-F371 HydrophobicContact CD1-CZ 3.84Å; L367-F371 HydrophobicContact CD2-CE2 4.05Å; L367-F371 HydrophobicContact CG-CD2 3.94Å; L367-F371 HydrophobicContact CG-CE2 3.71Å; L367-F371 HydrophobicContact CG-CZ 4.44Å; L367-F371 WeakPolarHBondContact O-CD2 3.42Å; L367-F371 PolarHBondContact O-N 3.19Å; N368-F371 PolarHBondContact O-N 3.43Å; F371-L373 VanDerWaalsContact C-N 3.32Å; F371-L373 PolarHBondContact O-N 3.17Å; F371-S375 WeakPolarHBondContact CD1-OG 3.27Å; F371-S375 WeakPolarHBondContact O-CA 3.43Å; F371-S375 WeakPolarHBondContact O-CB 3.32Å; F371-S375 PolarHBondContact O-N 2.58Å; F371-C376 PolarHBondContact O-N 2.75Å; F371-M398 HydrophobicContact CD1-CG 4.27Å; F371-M398 HydrophobicContact CD1-SD 4.22Å; F371-M398 HydrophobicContact CE1-CG 3.99Å; F371-M398 HydrophobicContact CE2-CG 4.39Å; F371-M398 HydrophobicContact CG-SD 4.29Å; F371-M398 HydrophobicContact CZ-CB 4.45Å; F371-M398 HydrophobicContact CZ-CG 4.03Å; F371-L401 HydrophobicContact CE1-CD1 4.4Å; F371-L401 HydrophobicContact CE2-CB 4.19Å; F371-L401 HydrophobicContact CZ-CB 3.98Å; F371-L401 HydrophobicContact CZ-CD1 3.68Å; F371-L401 HydrophobicContact CZ-CG 4.48Å; F371-Y402 HydrophobicContact CD2-CE1 4.04Å; F371-Y402 AromaticContact CD2-CE2 3.7Å; F371-Y402 HydrophobicContact CD2-CE2 3.7Å; F371-Y402 AromaticContact CD2-CZ 3.44Å; F371-Y402 VanDerWaalsContact CD2-CZ 3.44Å; F371-Y402 WeakPolarHBondContact CD2-OH 3.44Å; F371-Y402 HydrophobicContact CE2-CD2 4.37Å; F371-Y402 HydrophobicContact CE2-CE1 4.42Å; F371-Y402 AromaticContact CE2-CE2 3.94Å; F371-Y402 HydrophobicContact CE2-CE2 3.94Å |
| 372 | T | 86 | Confident | 84.4 | Confident | 82 Ų | 82 | 65.3 Ų | 65.3 | 50% | 0.503 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.9 | -41.4 | 178.6 | -53 | 0 | 0 | 0 | 0 | 111.3 | N368 Q369 F370 | N368-T372 PolarHBondContact O-N 3.4Å; N368-T372 PolarHBondContact O-OG1 3.15Å; Q369-T372 WeakPolarHBondContact O-CB 3.38Å; Q369-T372 PolarHBondContact O-N 2.87Å; F370-T372 VanDerWaalsContact C-N 3.31Å; F370-T372 PolarHBondContact O-N 3.04Å |
| 373 | L | 84.2 | Confident | 84.2 | Confident | 127 Ų | 127 | 58.9 Ų | 58.9 | 67% | 0.665 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -81.9 | -35.3 | -178.1 | -66.9 | 171.5 | 0 | 0 | 0 | 113.5 | Q369 F370 F371 | Q369-L373 HydrophobicContact CG-CD1 4.07Å; Q369-L373 WeakPolarHBondContact O-CG 3.4Å; Q369-L373 PolarHBondContact O-N 2.84Å; F370-L373 PolarHBondContact O-N 3.48Å; F371-L373 VanDerWaalsContact C-N 3.32Å; F371-L373 PolarHBondContact O-N 3.17Å |
| 374 | S | 83.7 | Confident | 84 | Confident | 23 Ų | 23 | 66 Ų | 66 | 16% | 0.161 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -108.8 | -29.9 | -167 | -55.8 | 0 | 0 | 0 | 0 | 113.9 | F370 F378 | F370-S374 VanDerWaalsContact O-CB 3.24Å; F370-S374 WeakPolarHBondContact O-CB 3.36Å; F370-S374 PolarHBondContact O-N 2.92Å; F370-S374 PolarHBondContact O-OG 2.76Å; S374-F378 WeakPolarHBondContact O-CE2 3.46Å |
| 375 | S | 83.6 | Confident | 83.8 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | -37.5 | -171.5 | -59.9 | 0 | 0 | 0 | 0 | 114.4 | V351 F371 K377 F378 | V351-S375 WeakPolarHBondContact CG1-OG 3.24Å; F371-S375 WeakPolarHBondContact CD1-OG 3.27Å; F371-S375 WeakPolarHBondContact O-CA 3.43Å; F371-S375 WeakPolarHBondContact O-CB 3.32Å; F371-S375 PolarHBondContact O-N 2.58Å; S375-K377 PolarHBondContact O-N 3.25Å; S375-K377 VanDerWaalsContact O-N 3.17Å; S375-F378 WeakPolarHBondContact O-CB 3.3Å; S375-F378 VanDerWaalsContact O-CD2 3.31Å; S375-F378 WeakPolarHBondContact O-CD2 3.42Å; S375-F378 PolarHBondContact O-N 2.9Å |
| 376 | C | 84.1 | Confident | 83.7 | Confident | 38 Ų | 38 | 64.5 Ų | 64.5 | 26% | 0.257 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -58.7 | -31.4 | -175 | -77 | 0 | 0 | 0 | 0 | 113.6 | F371 F378 L379 | F371-C376 PolarHBondContact O-N 2.75Å; C376-F378 PolarHBondContact O-N 2.77Å; C376-F378 VanDerWaalsContact O-N 3.15Å; C376-L379 PolarHBondContact O-N 2.77Å |
| 377 | K | 85.5 | Confident | 83.7 | Confident | 44 Ų | 44 | 60.9 Ų | 60.9 | 19% | 0.191 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -55.2 | -30.1 | 174.7 | 67.4 | 171.9 | -168.1 | 160.3 | 0 | 114.1 | E347 S375 L379 | E347-K377 IonicContact OE1-NZ 2.81Å; E347-K377 PolarHBondContact OE1-NZ 2.95Å; E347-K377 IonicContact OE2-NZ 3.65Å; E347-K377 PolarHBondContact OE2-NZ 2.96Å; S375-K377 PolarHBondContact O-N 3.25Å; S375-K377 VanDerWaalsContact O-N 3.17Å; K377-L379 PolarHBondContact O-N 2.77Å |
| 378 | F | 85.2 | Confident | 83.4 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -77.4 | -14.7 | -179 | -60.5 | -64.9 | 0 | 0 | 0 | 112.6 | T344 E347 L348 S374 S375 C376 F383 I386 I394 | T344-F378 HydrophobicContact CG2-CD1 4.28Å; T344-F378 HydrophobicContact CG2-CE1 3.78Å; E347-F378 HydrophobicContact CG-CZ 4.25Å; L348-F378 HydrophobicContact CB-CE2 4.44Å; L348-F378 HydrophobicContact CB-CZ 4.32Å; L348-F378 HydrophobicContact CD1-CD2 3.52Å; L348-F378 HydrophobicContact CD1-CE2 3.7Å; L348-F378 HydrophobicContact CD1-CG 4.04Å; L348-F378 HydrophobicContact CD1-CZ 4.33Å; S374-F378 WeakPolarHBondContact O-CE2 3.46Å; S375-F378 WeakPolarHBondContact O-CB 3.3Å; S375-F378 VanDerWaalsContact O-CD2 3.31Å; S375-F378 WeakPolarHBondContact O-CD2 3.42Å; S375-F378 PolarHBondContact O-N 2.9Å; C376-F378 PolarHBondContact O-N 2.77Å; C376-F378 VanDerWaalsContact O-N 3.15Å; F378-F383 HydrophobicContact CD1-CD1 4.35Å; F378-F383 AromaticContact CD1-CE1 3.76Å; F378-F383 HydrophobicContact CD1-CE1 3.76Å; F378-F383 AromaticContact CD1-CZ 3.95Å; F378-F383 HydrophobicContact CD1-CZ 3.95Å; F378-F383 HydrophobicContact CE1-CE1 4.4Å; F378-F383 HydrophobicContact CE1-CZ 4.25Å; F378-I386 HydrophobicContact CB-CD1 3.8Å; F378-I386 HydrophobicContact CD1-CD1 3.48Å; F378-I386 VanDerWaalsContact CD1-CD1 3.48Å; F378-I386 HydrophobicContact CE1-CD1 4.33Å; F378-I386 HydrophobicContact CG-CD1 3.93Å; F378-I394 HydrophobicContact CB-CD1 4.22Å |
| 379 | L | 86.5 | Confident | 83 | Confident | 20 Ų | 20 | 64.2 Ų | 64.2 | 11% | 0.105 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -98.8 | -5.3 | -179.7 | -60.4 | -174.9 | 0 | 0 | 0 | 113.1 | C376 K377 K391 I394 C395 M398 Y414 L417 F421 | C376-L379 PolarHBondContact O-N 2.77Å; K377-L379 PolarHBondContact O-N 2.77Å; L379-K391 HydrophobicContact CD2-CB 3.95Å; L379-K391 HydrophobicContact CD2-CG 4.24Å; L379-I394 HydrophobicContact CD2-CB 4.15Å; L379-I394 HydrophobicContact CD2-CG2 3.89Å; L379-I394 HydrophobicContact CG-CG2 4.43Å; L379-C395 VanDerWaalsContact CD1-SG 3.55Å; L379-M398 HydrophobicContact CD1-CE 3.4Å; L379-M398 HydrophobicContact CG-CE 4.43Å; L379-Y414 HydrophobicContact CD1-CE1 4.21Å; L379-L417 HydrophobicContact CD1-CD2 4.1Å; L379-F421 HydrophobicContact CD2-CE2 4.13Å |
| 380 | E | 84 | Confident | 82.7 | Confident | 112 Ų | 112 | 60.5 Ų | 60.5 | 52% | 0.523 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -63.4 | 141.9 | 175 | -67.9 | 172.3 | -171.8 | 0 | 0 | 110.2 | D382 F383 K391 | E380-D382 PolarHBondContact O-N 2.86Å; E380-F383 WeakPolarHBondContact O-CB 3.36Å; E380-F383 PolarHBondContact O-N 2.84Å; E380-F383 VanDerWaalsContact O-N 3.1Å; E380-K391 PolarHBondContact O-NZ 2.99Å |
| 381 | D | 75.6 | Confident | 82.7 | Confident | 133 Ų | 133 | 59.6 Ų | 59.6 | 71% | 0.711 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -34.2 | -176.7 | -66.3 | -27.1 | 0 | 0 | 0 | 111.6 | F383 | D381-F383 PolarHBondContact O-N 3.01Š|
| 382 | D | 76.5 | Confident | 82.6 | Confident | 147 Ų | 147 | 59.7 Ų | 59.7 | 79% | 0.786 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -13.6 | 178.3 | -61.7 | -32.1 | 0 | 0 | 0 | 113.7 | E380 K384 | E380-D382 PolarHBondContact O-N 2.86Å; D382-K384 PolarHBondContact O-N 2.79Å |
| 383 | F | 78.4 | Confident | 82.5 | Confident | 42 Ų | 42 | 58.9 Ų | 58.9 | 18% | 0.184 | 29% | 0.294 | C | S | . | . | trans | -81.3 | 76.6 | -177.3 | -156.7 | -92.1 | 0 | 0 | 0 | 112.3 | T344 F378 E380 D381 Q385 I386 | T344-F383 HydrophobicContact CG2-CE1 3.76Å; T344-F383 HydrophobicContact CG2-CZ 3.64Å; F378-F383 HydrophobicContact CD1-CD1 4.35Å; F378-F383 AromaticContact CD1-CE1 3.76Å; F378-F383 HydrophobicContact CD1-CE1 3.76Å; F378-F383 AromaticContact CD1-CZ 3.95Å; F378-F383 HydrophobicContact CD1-CZ 3.95Å; F378-F383 HydrophobicContact CE1-CE1 4.4Å; F378-F383 HydrophobicContact CE1-CZ 4.25Å; E380-F383 WeakPolarHBondContact O-CB 3.36Å; E380-F383 PolarHBondContact O-N 2.84Å; E380-F383 VanDerWaalsContact O-N 3.1Å; D381-F383 PolarHBondContact O-N 3.01Å; F383-Q385 VanDerWaalsContact C-N 3.27Å; F383-Q385 HydrophobicContact CD1-CB 4.29Å; F383-Q385 HydrophobicContact CE1-CB 3.76Å; F383-Q385 HydrophobicContact CE1-CG 4.48Å; F383-Q385 HydrophobicContact CZ-CB 4.23Å; F383-Q385 PolarHBondContact O-N 3.31Å; F383-I386 HydrophobicContact CD1-CB 4.24Å; F383-I386 HydrophobicContact CD1-CD1 3.97Å; F383-I386 HydrophobicContact CD1-CG1 4.07Å; F383-I386 HydrophobicContact CE1-CB 4.5Å; F383-I386 HydrophobicContact CE1-CD1 3.66Å; F383-I386 HydrophobicContact CE1-CG1 3.84Å | ||
| 384 | K | 77.8 | Confident | 82.7 | Confident | 194 Ų | 194 | 53 Ų | 53 | 84% | 0.843 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -5.5 | -174.9 | -62.9 | -174.9 | -179.7 | -178.3 | 0 | 116 | D382 I386 | D382-K384 PolarHBondContact O-N 2.79Å; K384-I386 PolarHBondContact O-N 2.9Å |
| 385 | Q | 78.5 | Confident | 83 | Confident | 99 Ų | 99 | 51.9 Ų | 51.9 | 46% | 0.463 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -15 | 179.7 | -64.4 | -178.3 | 0.7 | 0 | 0 | 113.3 | T344 F383 | T344-Q385 PolarHBondContact OG1-OE1 3.01Å; F383-Q385 VanDerWaalsContact C-N 3.27Å; F383-Q385 HydrophobicContact CD1-CB 4.29Å; F383-Q385 HydrophobicContact CE1-CB 3.76Å; F383-Q385 HydrophobicContact CE1-CG 4.48Å; F383-Q385 HydrophobicContact CZ-CB 4.23Å; F383-Q385 PolarHBondContact O-N 3.31Å |
| 386 | I | 81.9 | Confident | 83.2 | Confident | 7 Ų | 7 | 52.6 Ų | 52.6 | 4% | 0.036 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -122.2 | 128.2 | -178.1 | -67.6 | 174.6 | 0 | 0 | 0 | 107.6 | T344 F378 F383 K384 E390 K391 I394 | T344-I386 HydrophobicContact CG2-CD1 4.41Å; F378-I386 HydrophobicContact CB-CD1 3.8Å; F378-I386 HydrophobicContact CD1-CD1 3.48Å; F378-I386 VanDerWaalsContact CD1-CD1 3.48Å; F378-I386 HydrophobicContact CE1-CD1 4.33Å; F378-I386 HydrophobicContact CG-CD1 3.93Å; F383-I386 HydrophobicContact CD1-CB 4.24Å; F383-I386 HydrophobicContact CD1-CD1 3.97Å; F383-I386 HydrophobicContact CD1-CG1 4.07Å; F383-I386 HydrophobicContact CE1-CB 4.5Å; F383-I386 HydrophobicContact CE1-CD1 3.66Å; F383-I386 HydrophobicContact CE1-CG1 3.84Å; K384-I386 PolarHBondContact O-N 2.9Å; I386-E390 HydrophobicContact CG2-CB 3.38Å; I386-K391 HydrophobicContact CG2-CG 3.86Å; I386-I394 HydrophobicContact CD1-CD1 4.15Å; I386-I394 HydrophobicContact CG2-CD1 4.04Å |
| 387 | S | 83.3 | Confident | 83.4 | Confident | 47 Ų | 47 | 52 Ų | 52 | 33% | 0.329 | 25% | 0.251 | S | S | . | . | trans | -72.1 | 158.9 | 177.5 | 66.7 | 0 | 0 | 0 | 0 | 111.7 | E389 E390 K391 | S387-E389 PolarHBondContact O-N 3.45Å; S387-E390 PolarHBondContact N-OE2 3.45Å; S387-E390 CarbonylContact O-C 3.5Å; S387-E390 WeakPolarHBondContact O-CA 3.13Å; S387-E390 WeakPolarHBondContact O-CB 3.39Å; S387-E390 PolarHBondContact O-N 3.07Å; S387-E390 PolarHBondContact OG-N 2.92Å; S387-K391 PolarHBondContact O-N 3.3Å | ||
| 388 | D | 81.4 | Confident | 83.7 | Confident | 47 Ų | 47 | 49.9 Ų | 49.9 | 25% | 0.251 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58.7 | -34.1 | 176.8 | -76.4 | 1.2 | 0 | 0 | 0 | 113.4 | E390 K391 A392 S424 H425 | D388-E390 VanDerWaalsContact C-N 3.32Å; D388-E390 PolarHBondContact O-N 2.97Å; D388-K391 PolarHBondContact O-N 2.84Å; D388-A392 WeakPolarHBondContact O-CB 3.3Å; D388-A392 PolarHBondContact O-N 3.02Å; D388-S424 WeakPolarHBondContact OD2-CB 3.45Å; D388-S424 PolarHBondContact OD2-OG 3.17Å; D388-H425 HydrophobicContact CB-CB 4.21Å |
| 389 | E | 80.4 | Confident | 83.9 | Confident | 60 Ų | 60 | 49.9 Ų | 49.9 | 28% | 0.28 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.7 | -40.1 | 171.8 | -167.1 | -154.9 | 151.9 | 0 | 0 | 112 | S387 A392 R393 H425 | S387-E389 PolarHBondContact O-N 3.45Å; E389-A392 PolarHBondContact O-N 3.39Å; E389-R393 PolarHBondContact O-N 3.2Å; E389-R393 IonicContact OE1-NH2 3.64Å; E389-H425 IonicContact OE2-NE2 3.96Å |
| 390 | E | 82.2 | Confident | 83.9 | Confident | 26 Ų | 26 | 51.1 Ų | 51.1 | 12% | 0.121 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -68.9 | -40.4 | 174.2 | -74.5 | 178.9 | 145.7 | 0 | 0 | 111.1 | R82 K345 I386 S387 D388 A392 R393 I394 | R82-E390 IonicContact NH2-OE1 2.74Å; K345-E390 IonicContact NZ-OE1 3.99Å; K345-E390 PolarHBondContact NZ-OE1 2.83Å; K345-E390 IonicContact NZ-OE2 2.8Å; K345-E390 PolarHBondContact NZ-OE2 2.94Å; I386-E390 HydrophobicContact CG2-CB 3.38Å; S387-E390 PolarHBondContact N-OE2 3.45Å; S387-E390 CarbonylContact O-C 3.5Å; S387-E390 WeakPolarHBondContact O-CA 3.13Å; S387-E390 WeakPolarHBondContact O-CB 3.39Å; S387-E390 PolarHBondContact O-N 3.07Å; S387-E390 PolarHBondContact OG-N 2.92Å; D388-E390 VanDerWaalsContact C-N 3.32Å; D388-E390 PolarHBondContact O-N 2.97Å; E390-A392 VanDerWaalsContact C-N 3.32Å; E390-A392 PolarHBondContact O-N 3.23Å; E390-R393 PolarHBondContact O-N 3.01Å; E390-I394 VanDerWaalsContact O-CG1 3.27Å; E390-I394 WeakPolarHBondContact O-CG1 3.5Å; E390-I394 PolarHBondContact O-N 3.32Å |
| 391 | K | 88.4 | Confident | 84.2 | Confident | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.017 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60 | -40.8 | 173.5 | -66.7 | -176.7 | -179.4 | 179.3 | 0 | 111.9 | L379 E380 I386 S387 D388 R393 I394 C395 F421 | L379-K391 HydrophobicContact CD2-CB 3.95Å; L379-K391 HydrophobicContact CD2-CG 4.24Å; E380-K391 PolarHBondContact O-NZ 2.99Å; I386-K391 HydrophobicContact CG2-CG 3.86Å; S387-K391 PolarHBondContact O-N 3.3Å; D388-K391 PolarHBondContact O-N 2.84Å; K391-R393 PolarHBondContact O-N 2.77Å; K391-I394 PolarHBondContact O-N 2.88Å; K391-C395 PolarHBondContact O-N 3Å; K391-C395 PolarHBondContact O-SG 2.96Å; K391-F421 HydrophobicContact CB-CB 4.42Å; K391-F421 HydrophobicContact CB-CD1 3.92Å; K391-F421 HydrophobicContact CB-CD2 3.97Å; K391-F421 HydrophobicContact CB-CE1 4.13Å; K391-F421 HydrophobicContact CB-CE2 4.16Å; K391-F421 HydrophobicContact CB-CG 3.86Å; K391-F421 HydrophobicContact CB-CZ 4.24Å; K391-F421 HydrophobicContact CD-CD1 4.03Å; K391-F421 HydrophobicContact CD-CE1 3.58Å; K391-F421 HydrophobicContact CD-CZ 3.94Å |
| 392 | A | 86.6 | Confident | 84.8 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.008 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.6 | -45.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | F11 D388 E389 E390 C395 W396 A418 F421 F422 | F11-A392 HydrophobicContact CZ-CB 4.24Å; D388-A392 WeakPolarHBondContact O-CB 3.3Å; D388-A392 PolarHBondContact O-N 3.02Å; E389-A392 PolarHBondContact O-N 3.39Å; E390-A392 VanDerWaalsContact C-N 3.32Å; E390-A392 PolarHBondContact O-N 3.23Å; A392-C395 PolarHBondContact O-N 3.19Å; A392-W396 PolarHBondContact O-N 2.94Å; A392-A418 WeakPolarHBondContact O-CB 3.29Å; A392-F421 HydrophobicContact CB-CB 3.75Å; A392-F422 HydrophobicContact CB-CB 4.22Å |
| 393 | R | 84 | Confident | 85.4 | Confident | 66 Ų | 66 | 34.8 Ų | 34.8 | 25% | 0.249 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.1 | -41.4 | 175.5 | -75 | -175.3 | -80 | 141.2 | -14.1 | 112.8 | E389 E390 K391 C395 W396 W397 | E389-R393 PolarHBondContact O-N 3.2Å; E389-R393 IonicContact OE1-NH2 3.64Å; E390-R393 PolarHBondContact O-N 3.01Å; K391-R393 PolarHBondContact O-N 2.77Å; R393-C395 VanDerWaalsContact C-N 3.34Å; R393-C395 PolarHBondContact O-N 3.48Å; R393-W396 WeakPolarHBondContact O-CB 3.14Å; R393-W396 PolarHBondContact O-N 2.9Å; R393-W397 PolarHBondContact O-N 2.95Å |
| 394 | I | 88.7 | Confident | 85.6 | Confident | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.4 | -47 | 175.2 | -68.1 | 166.1 | 0 | 0 | 0 | 110.5 | L348 F352 F378 L379 I386 E390 K391 W396 W397 M398 | L348-I394 HydrophobicContact CD1-CD1 3.8Å; L348-I394 HydrophobicContact CD1-CG1 4Å; L348-I394 HydrophobicContact CD1-CG2 4.48Å; L348-I394 HydrophobicContact CD2-CD1 3.55Å; L348-I394 HydrophobicContact CD2-CG1 3.73Å; L348-I394 HydrophobicContact CG-CD1 4.33Å; L348-I394 HydrophobicContact CG-CG1 4.41Å; F352-I394 HydrophobicContact CE2-CG2 4.07Å; F352-I394 HydrophobicContact CZ-CG2 4.04Å; F378-I394 HydrophobicContact CB-CD1 4.22Å; L379-I394 HydrophobicContact CD2-CB 4.15Å; L379-I394 HydrophobicContact CD2-CG2 3.89Å; L379-I394 HydrophobicContact CG-CG2 4.43Å; I386-I394 HydrophobicContact CD1-CD1 4.15Å; I386-I394 HydrophobicContact CG2-CD1 4.04Å; E390-I394 VanDerWaalsContact O-CG1 3.27Å; E390-I394 WeakPolarHBondContact O-CG1 3.5Å; E390-I394 PolarHBondContact O-N 3.32Å; K391-I394 PolarHBondContact O-N 2.88Å; I394-W396 VanDerWaalsContact C-N 3.31Å; I394-W396 PolarHBondContact O-N 2.88Å; I394-W397 PolarHBondContact O-N 3.04Å; I394-M398 HydrophobicContact CG2-CE 4.18Å; I394-M398 WeakPolarHBondContact O-CG 3.19Å; I394-M398 PolarHBondContact O-N 2.81Å |
| 395 | C | 91 | Very high | 85.8 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.4 | -43.3 | 176.4 | -68.6 | 0 | 0 | 0 | 0 | 111.6 | L379 K391 A392 R393 W397 M398 A399 Y414 A418 | L379-C395 VanDerWaalsContact CD1-SG 3.55Å; K391-C395 PolarHBondContact O-N 3Å; K391-C395 PolarHBondContact O-SG 2.96Å; A392-C395 PolarHBondContact O-N 3.19Å; R393-C395 VanDerWaalsContact C-N 3.34Å; R393-C395 PolarHBondContact O-N 3.48Å; C395-W397 PolarHBondContact O-N 2.72Å; C395-M398 PolarHBondContact O-N 3.09Å; C395-A399 WeakPolarHBondContact O-CB 3.41Å; C395-A399 PolarHBondContact O-N 3.23Å; C395-Y414 HydrophobicContact CB-CD1 4.48Å; C395-A418 HydrophobicContact CB-CB 3.61Å |
| 396 | W | 87.3 | Confident | 85.9 | Confident | 16 Ų | 16 | 28.2 Ų | 28.2 | 6% | 0.061 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.7 | -45.1 | 176.8 | -174.5 | -120.8 | 0 | 0 | 0 | 113.1 | F11 A392 R393 I394 A399 H400 A418 V442 K445 | F11-W396 HydrophobicContact CD1-CB 4.16Å; F11-W396 AromaticContact CD1-CD2 3.8Å; F11-W396 HydrophobicContact CD1-CD2 3.8Å; F11-W396 HydrophobicContact CD1-CE3 4.11Å; F11-W396 AromaticContact CD1-CG 3.82Å; F11-W396 HydrophobicContact CD1-CG 3.82Å; F11-W396 HydrophobicContact CE1-CB 3.94Å; F11-W396 HydrophobicContact CE1-CD2 4.2Å; F11-W396 HydrophobicContact CE1-CE3 4.25Å; F11-W396 HydrophobicContact CE1-CG 4.08Å; F11-W396 PolarHBondContact O-NE1 2.83Å; F11-W396 VanDerWaalsContact O-NE1 3.12Å; A392-W396 PolarHBondContact O-N 2.94Å; R393-W396 WeakPolarHBondContact O-CB 3.14Å; R393-W396 PolarHBondContact O-N 2.9Å; I394-W396 VanDerWaalsContact C-N 3.31Å; I394-W396 PolarHBondContact O-N 2.88Å; W396-A399 WeakPolarHBondContact O-CB 2.82Å; W396-A399 PolarHBondContact O-N 2.98Å; W396-H400 PolarHBondContact O-N 3.22Å; W396-H400 VanDerWaalsContact O-N 3.07Å; W396-A418 HydrophobicContact CB-CB 4.44Å; W396-V442 HydrophobicContact CE3-CG1 4.24Å; W396-V442 HydrophobicContact CZ3-CG1 3.91Å; W396-V442 HydrophobicContact CZ3-CG2 4.4Å; W396-K445 HydrophobicContact CH2-CD 3.73Å; W396-K445 HydrophobicContact CZ3-CD 4.32Å |
| 397 | W | 88.2 | Confident | 86.2 | Confident | 25 Ų | 25 | 30.7 Ų | 30.7 | 10% | 0.095 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.7 | -43 | 177.7 | -63.2 | -13.9 | 0 | 0 | 0 | 112.1 | W16 P17 F352 R393 I394 C395 A399 H400 L401 | W16-W397 HydrophobicContact CB-CB 3.83Å; W16-W397 HydrophobicContact CB-CD2 3.51Å; W16-W397 HydrophobicContact CB-CE3 4.14Å; W16-W397 HydrophobicContact CB-CG 3.36Å; W16-W397 HydrophobicContact CG-CB 4.44Å; W16-W397 HydrophobicContact CG-CG 4.39Å; P17-W397 HydrophobicContact CG-CH2 4.12Å; P17-W397 HydrophobicContact CG-CZ3 3.98Å; F352-W397 HydrophobicContact CD1-CB 3.95Å; F352-W397 HydrophobicContact CD1-CE3 4.33Å; F352-W397 AromaticContact CD2-CE3 3.89Å; F352-W397 HydrophobicContact CD2-CE3 3.89Å; F352-W397 HydrophobicContact CD2-CZ3 4.35Å; F352-W397 HydrophobicContact CE1-CB 3.33Å; F352-W397 HydrophobicContact CE1-CE3 4.29Å; F352-W397 HydrophobicContact CE1-CG 4.41Å; F352-W397 AromaticContact CE2-CE3 3.83Å; F352-W397 HydrophobicContact CE2-CE3 3.83Å; F352-W397 HydrophobicContact CG-CE3 4.14Å; F352-W397 HydrophobicContact CZ-CB 3.73Å; F352-W397 HydrophobicContact CZ-CE3 4.02Å; R393-W397 PolarHBondContact O-N 2.95Å; I394-W397 PolarHBondContact O-N 3.04Å; C395-W397 PolarHBondContact O-N 2.72Å; W397-A399 VanDerWaalsContact C-N 3.33Å; W397-A399 PolarHBondContact O-N 3.35Å; W397-H400 PolarHBondContact O-N 3.07Å; W397-L401 PolarHBondContact O-N 3.07Å; W397-L401 VanDerWaalsContact O-N 3.13Å |
| 398 | M | 91.1 | Very high | 86.2 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.4 | -43.9 | 174.3 | -71.5 | -166.4 | -64.5 | 0 | 0 | 111.3 | F352 F371 L379 I394 C395 H400 L401 Y402 Y414 | F352-M398 HydrophobicContact CE1-CG 3.92Å; F352-M398 HydrophobicContact CZ-CG 3.67Å; F371-M398 HydrophobicContact CD1-CG 4.27Å; F371-M398 HydrophobicContact CD1-SD 4.22Å; F371-M398 HydrophobicContact CE1-CG 3.99Å; F371-M398 HydrophobicContact CE2-CG 4.39Å; F371-M398 HydrophobicContact CG-SD 4.29Å; F371-M398 HydrophobicContact CZ-CB 4.45Å; F371-M398 HydrophobicContact CZ-CG 4.03Å; L379-M398 HydrophobicContact CD1-CE 3.4Å; L379-M398 HydrophobicContact CG-CE 4.43Å; I394-M398 HydrophobicContact CG2-CE 4.18Å; I394-M398 WeakPolarHBondContact O-CG 3.19Å; I394-M398 PolarHBondContact O-N 2.81Å; C395-M398 PolarHBondContact O-N 3.09Å; M398-H400 VanDerWaalsContact C-N 3.3Å; M398-H400 PolarHBondContact O-N 3.43Å; M398-L401 PolarHBondContact O-N 3.25Å; M398-Y402 HydrophobicContact CB-CD2 4.26Å; M398-Y402 HydrophobicContact CB-CE2 4.18Å; M398-Y402 WeakPolarHBondContact O-CD2 3.19Å; M398-Y402 PolarHBondContact O-N 2.89Å; M398-Y414 HydrophobicContact CB-CD1 4.46Å; M398-Y414 HydrophobicContact CB-CD2 4.49Å; M398-Y414 HydrophobicContact CB-CG 4.3Å; M398-Y414 HydrophobicContact CE-CD1 3.4Å; M398-Y414 VanDerWaalsContact CE-CD1 3.4Å; M398-Y414 HydrophobicContact CE-CE1 3.14Å; M398-Y414 HydrophobicContact CE-CG 4.27Å; M398-Y414 HydrophobicContact SD-CE1 4.1Å |
| 399 | A | 90.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -53.8 | -50.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | C395 W396 W397 L401 Y402 L403 Y411 | C395-A399 WeakPolarHBondContact O-CB 3.41Å; C395-A399 PolarHBondContact O-N 3.23Å; W396-A399 WeakPolarHBondContact O-CB 2.82Å; W396-A399 PolarHBondContact O-N 2.98Å; W397-A399 VanDerWaalsContact C-N 3.33Å; W397-A399 PolarHBondContact O-N 3.35Å; A399-L401 PolarHBondContact O-N 2.86Å; A399-Y402 WeakPolarHBondContact O-CB 3.26Å; A399-Y402 PolarHBondContact O-N 2.71Å; A399-Y402 VanDerWaalsContact O-N 3.17Å; A399-L403 PolarHBondContact O-N 3.49Å; A399-Y411 HydrophobicContact CB-CD2 3.74Å; A399-Y411 HydrophobicContact CB-CE2 4.19Å; A399-Y411 VanDerWaalsContact O-CD2 3.25Å; A399-Y411 WeakPolarHBondContact O-CD2 3.27Å |
| 400 | H | 87.3 | Confident | 86.8 | Confident | 45 Ų | 45 | 38.1 Ų | 38.1 | 21% | 0.208 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.4 | -39.7 | -179.3 | -164.5 | -68.9 | 0 | 0 | 0 | 113.4 | W16 W396 W397 M398 L403 R404 | W16-H400 HydrophobicContact CE3-CB 4.38Å; W16-H400 HydrophobicContact CH2-CB 4.49Å; W16-H400 AromaticContact CH2-CE1 3.19Å; W16-H400 WeakPolarHBondContact CH2-CE1 3.21Å; W16-H400 AromaticContact CH2-CG 3.65Å; W16-H400 AromaticContact CH2-ND1 3.03Å; W16-H400 WeakPolarHBondContact CH2-ND1 3.29Å; W16-H400 AromaticContact CH2-NE2 3.85Å; W16-H400 AromaticContact CZ2-ND1 3.74Å; W16-H400 HydrophobicContact CZ3-CB 4.06Å; W16-H400 AromaticContact CZ3-CD2 3.75Å; W16-H400 AromaticContact CZ3-CE1 3.64Å; W16-H400 AromaticContact CZ3-CG 3.44Å; W16-H400 VanDerWaalsContact CZ3-CG 3.44Å; W16-H400 AromaticContact CZ3-ND1 3.37Å; W16-H400 WeakPolarHBondContact CZ3-ND1 3.34Å; W16-H400 AromaticContact CZ3-NE2 3.87Å; W396-H400 PolarHBondContact O-N 3.22Å; W396-H400 VanDerWaalsContact O-N 3.07Å; W397-H400 PolarHBondContact O-N 3.07Å; M398-H400 VanDerWaalsContact C-N 3.3Å; M398-H400 PolarHBondContact O-N 3.43Å; H400-L403 WeakPolarHBondContact O-CB 3.31Å; H400-L403 PolarHBondContact O-N 2.83Å; H400-R404 PolarHBondContact O-N 2.85Å |
| 401 | L | 88.4 | Confident | 87.1 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -69.1 | -36 | 176 | -74 | 170.3 | 0 | 0 | 0 | 112.3 | W16 F352 A355 A359 L367 F371 W397 M398 A399 R404 S405 | W16-L401 HydrophobicContact CZ2-CD2 4.38Å; F352-L401 HydrophobicContact CD1-CD1 3.74Å; F352-L401 HydrophobicContact CE1-CD1 4.09Å; A355-L401 HydrophobicContact CB-CD1 3.93Å; A359-L401 HydrophobicContact CB-CD2 3.95Å; L367-L401 HydrophobicContact CD2-CB 4.46Å; F371-L401 HydrophobicContact CE1-CD1 4.4Å; F371-L401 HydrophobicContact CE2-CB 4.19Å; F371-L401 HydrophobicContact CZ-CB 3.98Å; F371-L401 HydrophobicContact CZ-CD1 3.68Å; F371-L401 HydrophobicContact CZ-CG 4.48Å; W397-L401 PolarHBondContact O-N 3.07Å; W397-L401 VanDerWaalsContact O-N 3.13Å; M398-L401 PolarHBondContact O-N 3.25Å; A399-L401 PolarHBondContact O-N 2.86Å; L401-R404 PolarHBondContact O-N 3.45Å; L401-S405 WeakPolarHBondContact O-CB 3.19Å; L401-S405 PolarHBondContact O-N 3.09Å; L401-S405 PolarHBondContact O-OG 2.87Å |
| 402 | Y | 90.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.8 | -39.7 | 171.4 | -79.2 | -58.9 | 0 | 0 | 0 | 112.4 | N368 F371 M398 A399 S405 G406 F407 K410 Y414 | N368-Y402 HydrophobicContact CB-CE1 4.25Å; N368-Y402 PolarHBondContact OD1-OH 2.93Å; F371-Y402 HydrophobicContact CD2-CE1 4.04Å; F371-Y402 AromaticContact CD2-CE2 3.7Å; F371-Y402 HydrophobicContact CD2-CE2 3.7Å; F371-Y402 AromaticContact CD2-CZ 3.44Å; F371-Y402 VanDerWaalsContact CD2-CZ 3.44Å; F371-Y402 WeakPolarHBondContact CD2-OH 3.44Å; F371-Y402 HydrophobicContact CE2-CD2 4.37Å; F371-Y402 HydrophobicContact CE2-CE1 4.42Å; F371-Y402 AromaticContact CE2-CE2 3.94Å; F371-Y402 HydrophobicContact CE2-CE2 3.94Å; M398-Y402 HydrophobicContact CB-CD2 4.26Å; M398-Y402 HydrophobicContact CB-CE2 4.18Å; M398-Y402 WeakPolarHBondContact O-CD2 3.19Å; M398-Y402 PolarHBondContact O-N 2.89Å; A399-Y402 WeakPolarHBondContact O-CB 3.26Å; A399-Y402 PolarHBondContact O-N 2.71Å; A399-Y402 VanDerWaalsContact O-N 3.17Å; Y402-S405 CarbonylContact O-C 3.59Å; Y402-S405 PolarHBondContact O-N 2.83Å; Y402-G406 PolarHBondContact O-N 2.76Å; Y402-G406 VanDerWaalsContact O-N 3.15Å; Y402-F407 HydrophobicContact CD1-CB 3.85Å; Y402-F407 AromaticContact CD1-CD2 3.7Å; Y402-F407 HydrophobicContact CD1-CD2 3.7Å; Y402-F407 HydrophobicContact CD1-CG 4.17Å; Y402-F407 HydrophobicContact CE1-CD2 4.15Å; Y402-F407 HydrophobicContact CG-CB 4.41Å; Y402-F407 PolarHBondContact O-N 2.87Å; Y402-K410 HydrophobicContact CD1-CB 3.77Å; Y402-K410 HydrophobicContact CD1-CD 4.01Å; Y402-K410 HydrophobicContact CD1-CG 4.46Å; Y402-K410 HydrophobicContact CD2-CB 3.93Å; Y402-K410 HydrophobicContact CE1-CB 4.09Å; Y402-K410 HydrophobicContact CE1-CD 3.55Å; Y402-K410 HydrophobicContact CE1-CG 4.42Å; Y402-K410 HydrophobicContact CE2-CB 4.28Å; Y402-K410 HydrophobicContact CG-CB 3.67Å; Y402-Y414 AromaticContact CD2-CD2 3.52Å; Y402-Y414 HydrophobicContact CD2-CD2 3.52Å; Y402-Y414 AromaticContact CD2-CE2 3.76Å; Y402-Y414 HydrophobicContact CD2-CE2 3.76Å; Y402-Y414 AromaticContact CE2-CD2 3.43Å; Y402-Y414 HydrophobicContact CE2-CD2 3.43Å; Y402-Y414 VanDerWaalsContact CE2-CD2 3.43Å; Y402-Y414 AromaticContact CE2-CE2 3.13Å; Y402-Y414 HydrophobicContact CE2-CE2 3.13Å; Y402-Y414 AromaticContact CZ-CE2 3.89Å |
| 403 | L | 87.7 | Confident | 87.4 | Confident | 50 Ų | 50 | 42.6 Ų | 42.6 | 26% | 0.262 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -60.5 | -49.8 | 175 | 178.7 | 63.3 | 0 | 0 | 0 | 111.1 | A399 H400 S405 G406 W408 Y411 | A399-L403 PolarHBondContact O-N 3.49Å; H400-L403 WeakPolarHBondContact O-CB 3.31Å; H400-L403 PolarHBondContact O-N 2.83Å; L403-S405 PolarHBondContact O-N 2.94Å; L403-G406 PolarHBondContact O-N 2.73Å; L403-W408 HydrophobicContact CD1-CE3 3.56Å; L403-W408 HydrophobicContact CD1-CH2 4.04Å; L403-W408 HydrophobicContact CD1-CZ3 3.24Å; L403-Y411 HydrophobicContact CB-CD2 3.72Å; L403-Y411 HydrophobicContact CB-CE2 4.15Å; L403-Y411 HydrophobicContact CB-CG 4.01Å; L403-Y411 HydrophobicContact CD1-CD1 4.27Å; L403-Y411 HydrophobicContact CD1-CE1 4.47Å; L403-Y411 HydrophobicContact CD1-CG 4.31Å; L403-Y411 HydrophobicContact CD2-CD2 4.37Å; L403-Y411 HydrophobicContact CD2-CE2 3.97Å; L403-Y411 HydrophobicContact CG-CD2 4.45Å |
| 404 | R | 82.9 | Confident | 87.8 | Confident | 137 Ų | 137 | 40.4 Ų | 40.4 | 52% | 0.517 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -59.3 | -33.1 | 176.2 | -78.6 | -169.3 | 168.7 | -170.9 | 2 | 113.1 | H400 L401 G406 | H400-R404 PolarHBondContact O-N 2.85Å; L401-R404 PolarHBondContact O-N 3.45Å; R404-G406 VanDerWaalsContact C-N 3.3Å |
| 405 | S | 82.5 | Confident | 87.9 | Confident | 23 Ų | 23 | 40.3 Ų | 40.3 | 16% | 0.161 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 0.6 | 179.6 | -53.4 | 0 | 0 | 0 | 0 | 113.8 | L367 L401 Y402 L403 | L367-S405 WeakPolarHBondContact CD2-OG 3.23Å; L401-S405 WeakPolarHBondContact O-CB 3.19Å; L401-S405 PolarHBondContact O-N 3.09Å; L401-S405 PolarHBondContact O-OG 2.87Å; Y402-S405 CarbonylContact O-C 3.59Å; Y402-S405 PolarHBondContact O-N 2.83Å; L403-S405 PolarHBondContact O-N 2.94Å |
| 406 | G | 81.2 | Confident | 88 | Confident | 37 Ų | 37 | 42.6 Ų | 42.6 | 38% | 0.381 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | 11.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y402 L403 R404 W408 | Y402-G406 PolarHBondContact O-N 2.76Å; Y402-G406 VanDerWaalsContact O-N 3.15Å; L403-G406 PolarHBondContact O-N 2.73Å; R404-G406 VanDerWaalsContact C-N 3.3Å; G406-W408 PolarHBondContact O-N 3.47Å; G406-W408 PolarHBondContact O-NE1 2.98Å |
| 407 | F | 86.2 | Confident | 88.1 | Confident | 58 Ų | 58 | 43.8 Ų | 43.8 | 25% | 0.254 | 20% | 0.195 | S | C | . | . | trans | -90.3 | 74.5 | 175.9 | -73.7 | -61.5 | 0 | 0 | 0 | 112.6 | P364 N368 Y402 R409 K410 Y411 | P364-F407 VanDerWaalsContact C-CE2 3.48Å; P364-F407 HydrophobicContact CB-CD2 3.94Å; P364-F407 HydrophobicContact CB-CE2 3.25Å; P364-F407 HydrophobicContact CB-CZ 3.61Å; P364-F407 VanDerWaalsContact O-CE2 3.28Å; P364-F407 WeakPolarHBondContact O-CE2 3.35Å; N368-F407 HydrophobicContact CB-CE2 4.35Å; Y402-F407 HydrophobicContact CD1-CB 3.85Å; Y402-F407 AromaticContact CD1-CD2 3.7Å; Y402-F407 HydrophobicContact CD1-CD2 3.7Å; Y402-F407 HydrophobicContact CD1-CG 4.17Å; Y402-F407 HydrophobicContact CE1-CD2 4.15Å; Y402-F407 HydrophobicContact CG-CB 4.41Å; Y402-F407 PolarHBondContact O-N 2.87Å; F407-R409 VanDerWaalsContact C-N 3.32Å; F407-R409 PolarHBondContact O-N 3.36Å; F407-K410 HydrophobicContact CB-CB 4.07Å; F407-K410 HydrophobicContact CB-CG 4.39Å; F407-K410 PolarHBondContact O-N 3.03Å; F407-K410 VanDerWaalsContact O-N 3.16Å; F407-Y411 PolarHBondContact O-N 2.81Å | ||
| 408 | W | 83.4 | Confident | 88.1 | Confident | 125 Ų | 125 | 42.6 Ų | 42.6 | 47% | 0.473 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -55.9 | -39.8 | -177.7 | -49.4 | 97.2 | 0 | 0 | 0 | 114.2 | L403 G406 Y411 A412 | L403-W408 HydrophobicContact CD1-CE3 3.56Å; L403-W408 HydrophobicContact CD1-CH2 4.04Å; L403-W408 HydrophobicContact CD1-CZ3 3.24Å; G406-W408 PolarHBondContact O-N 3.47Å; G406-W408 PolarHBondContact O-NE1 2.98Å; W408-Y411 WeakPolarHBondContact O-CB 3.19Å; W408-Y411 PolarHBondContact O-N 2.77Å; W408-A412 WeakPolarHBondContact O-CB 3.26Å; W408-A412 PolarHBondContact O-N 3.41Å |
| 409 | R | 85.6 | Confident | 88 | Confident | 115 Ų | 115 | 42.6 Ų | 42.6 | 43% | 0.434 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -70.6 | -37 | -179.8 | -57.9 | 176.7 | 89.6 | 163.4 | 23.7 | 112.3 | F407 A412 F413 W466 | F407-R409 VanDerWaalsContact C-N 3.32Å; F407-R409 PolarHBondContact O-N 3.36Å; R409-A412 PolarHBondContact O-N 2.91Å; R409-F413 WeakPolarHBondContact O-CB 3.5Å; R409-F413 PolarHBondContact O-N 2.84Å; R409-W466 VanDerWaalsContact NE-CH2 3.32Å |
| 410 | K | 88.7 | Confident | 87.9 | Confident | 71 Ų | 71 | 46.4 Ų | 46.4 | 31% | 0.309 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -72.6 | -39.8 | 176.5 | -66 | -164.4 | 168.4 | -169.4 | 0 | 110.6 | N368 Y402 F407 A412 F413 Y414 | N368-K410 PolarHBondContact ND2-NZ 3.03Å; N368-K410 VanDerWaalsContact ND2-NZ 3.11Å; N368-K410 PolarHBondContact OD1-NZ 3.48Å; Y402-K410 HydrophobicContact CD1-CB 3.77Å; Y402-K410 HydrophobicContact CD1-CD 4.01Å; Y402-K410 HydrophobicContact CD1-CG 4.46Å; Y402-K410 HydrophobicContact CD2-CB 3.93Å; Y402-K410 HydrophobicContact CE1-CB 4.09Å; Y402-K410 HydrophobicContact CE1-CD 3.55Å; Y402-K410 HydrophobicContact CE1-CG 4.42Å; Y402-K410 HydrophobicContact CE2-CB 4.28Å; Y402-K410 HydrophobicContact CG-CB 3.67Å; F407-K410 HydrophobicContact CB-CB 4.07Å; F407-K410 HydrophobicContact CB-CG 4.39Å; F407-K410 PolarHBondContact O-N 3.03Å; F407-K410 VanDerWaalsContact O-N 3.16Å; K410-A412 VanDerWaalsContact C-N 3.33Å; K410-A412 PolarHBondContact O-N 2.92Å; K410-F413 PolarHBondContact O-N 3.49Å; K410-Y414 HydrophobicContact CB-CD2 4.44Å; K410-Y414 WeakPolarHBondContact O-CD2 3.23Å; K410-Y414 PolarHBondContact O-N 2.82Å |
| 411 | Y | 90.4 | Very high | 87.8 | Confident | 24 Ų | 24 | 45.2 Ų | 45.2 | 9% | 0.094 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -50.6 | -54.2 | 168.1 | 166.8 | -109.6 | 0 | 0 | 0 | 111.4 | A399 L403 F407 W408 F413 Y414 C415 K445 S449 | A399-Y411 HydrophobicContact CB-CD2 3.74Å; A399-Y411 HydrophobicContact CB-CE2 4.19Å; A399-Y411 VanDerWaalsContact O-CD2 3.25Å; A399-Y411 WeakPolarHBondContact O-CD2 3.27Å; L403-Y411 HydrophobicContact CB-CD2 3.72Å; L403-Y411 HydrophobicContact CB-CE2 4.15Å; L403-Y411 HydrophobicContact CB-CG 4.01Å; L403-Y411 HydrophobicContact CD1-CD1 4.27Å; L403-Y411 HydrophobicContact CD1-CE1 4.47Å; L403-Y411 HydrophobicContact CD1-CG 4.31Å; L403-Y411 HydrophobicContact CD2-CD2 4.37Å; L403-Y411 HydrophobicContact CD2-CE2 3.97Å; L403-Y411 HydrophobicContact CG-CD2 4.45Å; F407-Y411 PolarHBondContact O-N 2.81Å; W408-Y411 WeakPolarHBondContact O-CB 3.19Å; W408-Y411 PolarHBondContact O-N 2.77Å; Y411-F413 VanDerWaalsContact C-N 3.35Å; Y411-F413 PolarHBondContact O-N 3.41Å; Y411-Y414 PolarHBondContact O-N 3.26Å; Y411-C415 WeakPolarHBondContact CE2-SG 3.11Å; Y411-C415 PolarHBondContact O-N 3.34Å; Y411-C415 PolarHBondContact O-SG 2.05Å; Y411-C415 VanDerWaalsContact O-SG 3.35Å; Y411-K445 HydrophobicContact CE1-CB 4.5Å; Y411-K445 WeakPolarHBondContact OH-CB 3.23Å; Y411-S449 WeakPolarHBondContact CD1-OG 3.19Å |
| 412 | A | 89.1 | Confident | 87.6 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.8 | -42.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | W408 R409 K410 C415 R416 A446 Y450 | W408-A412 WeakPolarHBondContact O-CB 3.26Å; W408-A412 PolarHBondContact O-N 3.41Å; R409-A412 PolarHBondContact O-N 2.91Å; K410-A412 VanDerWaalsContact C-N 3.33Å; K410-A412 PolarHBondContact O-N 2.92Å; A412-C415 PolarHBondContact O-N 3.09Å; A412-R416 PolarHBondContact O-N 2.81Å; A412-A446 HydrophobicContact CB-CB 4.36Å; A412-A446 WeakPolarHBondContact O-CB 3.18Å; A412-Y450 HydrophobicContact CB-CD1 4.15Å; A412-Y450 HydrophobicContact CB-CD2 3.89Å; A412-Y450 HydrophobicContact CB-CE1 3.77Å; A412-Y450 HydrophobicContact CB-CE2 3.49Å; A412-Y450 VanDerWaalsContact CB-CE2 3.49Å; A412-Y450 HydrophobicContact CB-CG 4.2Å; A412-Y450 VanDerWaalsContact CB-CZ 3.42Å |
| 413 | F | 91.8 | Very high | 87.2 | Confident | 100 Ų | 100 | 48 Ų | 48 | 44% | 0.439 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -59.8 | -48.7 | 176.8 | 174 | -97.7 | 0 | 0 | 0 | 111.8 | R409 K410 Y411 R416 L417 Y450 | R409-F413 WeakPolarHBondContact O-CB 3.5Å; R409-F413 PolarHBondContact O-N 2.84Å; K410-F413 PolarHBondContact O-N 3.49Å; Y411-F413 VanDerWaalsContact C-N 3.35Å; Y411-F413 PolarHBondContact O-N 3.41Å; F413-R416 PolarHBondContact O-N 3.44Å; F413-L417 HydrophobicContact CE1-CD2 4.11Å; F413-L417 HydrophobicContact CZ-CD2 4.4Å; F413-L417 WeakPolarHBondContact O-CB 3.42Å; F413-L417 PolarHBondContact O-N 3.11Å; F413-Y450 VanDerWaalsContact CA-OH 3.29Å; F413-Y450 WeakPolarHBondContact CA-OH 3.39Å; F413-Y450 PolarHBondContact N-OH 3.33Å; F413-Y450 VanDerWaalsContact N-OH 3.16Å |
| 414 | Y | 92 | Very high | 86.7 | Confident | 20 Ų | 20 | 46.9 Ų | 46.9 | 8% | 0.078 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -75.4 | -27 | -178.8 | -74.9 | -69.4 | 0 | 0 | 0 | 113.3 | L379 C395 M398 Y402 K410 Y411 L417 A418 | L379-Y414 HydrophobicContact CD1-CE1 4.21Å; C395-Y414 HydrophobicContact CB-CD1 4.48Å; M398-Y414 HydrophobicContact CB-CD1 4.46Å; M398-Y414 HydrophobicContact CB-CD2 4.49Å; M398-Y414 HydrophobicContact CB-CG 4.3Å; M398-Y414 HydrophobicContact CE-CD1 3.4Å; M398-Y414 VanDerWaalsContact CE-CD1 3.4Å; M398-Y414 HydrophobicContact CE-CE1 3.14Å; M398-Y414 HydrophobicContact CE-CG 4.27Å; M398-Y414 HydrophobicContact SD-CE1 4.1Å; Y402-Y414 AromaticContact CD2-CD2 3.52Å; Y402-Y414 HydrophobicContact CD2-CD2 3.52Å; Y402-Y414 AromaticContact CD2-CE2 3.76Å; Y402-Y414 HydrophobicContact CD2-CE2 3.76Å; Y402-Y414 AromaticContact CE2-CD2 3.43Å; Y402-Y414 HydrophobicContact CE2-CD2 3.43Å; Y402-Y414 VanDerWaalsContact CE2-CD2 3.43Å; Y402-Y414 AromaticContact CE2-CE2 3.13Å; Y402-Y414 HydrophobicContact CE2-CE2 3.13Å; Y402-Y414 AromaticContact CZ-CE2 3.89Å; K410-Y414 HydrophobicContact CB-CD2 4.44Å; K410-Y414 WeakPolarHBondContact O-CD2 3.23Å; K410-Y414 PolarHBondContact O-N 2.82Å; Y411-Y414 PolarHBondContact O-N 3.26Å; Y414-L417 HydrophobicContact CD1-CD2 4.05Å; Y414-L417 HydrophobicContact CE1-CD2 4.16Å; Y414-L417 PolarHBondContact O-N 2.81Å; Y414-A418 VanDerWaalsContact O-CB 3.23Å; Y414-A418 WeakPolarHBondContact O-CB 3.31Å; Y414-A418 PolarHBondContact O-N 3.14Å |
| 415 | C | 91.2 | Very high | 86 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.3 | -46.4 | 166.8 | -72.9 | 0 | 0 | 0 | 0 | 111.3 | Y411 A412 A418 A419 V442 A446 | Y411-C415 WeakPolarHBondContact CE2-SG 3.11Å; Y411-C415 PolarHBondContact O-N 3.34Å; Y411-C415 PolarHBondContact O-SG 2.05Å; Y411-C415 VanDerWaalsContact O-SG 3.35Å; A412-C415 PolarHBondContact O-N 3.09Å; C415-A418 PolarHBondContact O-N 3.36Å; C415-A419 PolarHBondContact O-N 3.35Å; C415-V442 HydrophobicContact CB-CG1 4.25Å; C415-V442 WeakPolarHBondContact O-CG1 3.49Å; C415-A446 HydrophobicContact CB-CB 3.98Å |
| 416 | R | 91.7 | Very high | 84.8 | Confident | 48 Ų | 48 | 46.9 Ų | 46.9 | 18% | 0.181 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.7 | -44.9 | 174.8 | -173.8 | -174.1 | 178.4 | -170.5 | -10.5 | 111.4 | A412 F413 A418 A419 L420 L443 A446 I473 E476 | A412-R416 PolarHBondContact O-N 2.81Å; F413-R416 PolarHBondContact O-N 3.44Å; R416-A418 VanDerWaalsContact C-N 3.35Å; R416-A418 PolarHBondContact O-N 3.16Å; R416-A419 WeakPolarHBondContact O-CB 3.41Å; R416-A419 PolarHBondContact O-N 2.95Å; R416-L420 WeakPolarHBondContact O-CG 3.46Å; R416-L420 PolarHBondContact O-N 2.9Å; R416-L443 HydrophobicContact CG-CD2 4.36Å; R416-A446 HydrophobicContact CB-CB 4.45Å; R416-I473 HydrophobicContact CB-CD1 4.39Å; R416-I473 HydrophobicContact CG-CD1 3.96Å; R416-E476 IonicContact CZ-OE1 2.72Å; R416-E476 VanDerWaalsContact CZ-OE1 3.27Å; R416-E476 IonicContact CZ-OE2 3.48Å; R416-E476 IonicContact NE-OE1 3.95Å; R416-E476 PolarHBondContact NE-OE1 2.84Å; R416-E476 IonicContact NE-OE2 3.69Å; R416-E476 PolarHBondContact NE-OE2 2.84Å; R416-E476 IonicContact NH2-OE1 3.87Å; R416-E476 PolarHBondContact NH2-OE1 2.63Å; R416-E476 IonicContact NH2-OE2 3.86Å |
| 417 | L | 90.2 | Very high | 83.4 | Confident | 41 Ų | 41 | 53.2 Ų | 53.2 | 22% | 0.215 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.7 | -38.4 | 178.6 | -170.3 | 60.3 | 0 | 0 | 0 | 112.3 | L379 F413 Y414 L420 F421 | L379-L417 HydrophobicContact CD1-CD2 4.1Å; F413-L417 HydrophobicContact CE1-CD2 4.11Å; F413-L417 HydrophobicContact CZ-CD2 4.4Å; F413-L417 WeakPolarHBondContact O-CB 3.42Å; F413-L417 PolarHBondContact O-N 3.11Å; Y414-L417 HydrophobicContact CD1-CD2 4.05Å; Y414-L417 HydrophobicContact CE1-CD2 4.16Å; Y414-L417 PolarHBondContact O-N 2.81Å; L417-L420 PolarHBondContact O-N 3.27Å; L417-F421 HydrophobicContact CD1-CD2 4.2Å; L417-F421 HydrophobicContact CD1-CE2 3.79Å; L417-F421 HydrophobicContact CD1-CZ 4.46Å; L417-F421 HydrophobicContact CD2-CE2 4.09Å; L417-F421 HydrophobicContact CG-CD2 3.94Å; L417-F421 HydrophobicContact CG-CE2 3.67Å; L417-F421 WeakPolarHBondContact O-CD2 3.5Å; L417-F421 PolarHBondContact O-N 3.25Å |
| 418 | A | 88.7 | Confident | 81.4 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.1 | -42.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | F11 A392 C395 W396 Y414 C415 R416 L420 F422 | F11-A418 HydrophobicContact CE1-CB 3.91Å; F11-A418 HydrophobicContact CZ-CB 4.12Å; A392-A418 WeakPolarHBondContact O-CB 3.29Å; C395-A418 HydrophobicContact CB-CB 3.61Å; W396-A418 HydrophobicContact CB-CB 4.44Å; Y414-A418 VanDerWaalsContact O-CB 3.23Å; Y414-A418 WeakPolarHBondContact O-CB 3.31Å; Y414-A418 PolarHBondContact O-N 3.14Å; C415-A418 PolarHBondContact O-N 3.36Å; R416-A418 VanDerWaalsContact C-N 3.35Å; R416-A418 PolarHBondContact O-N 3.16Å; A418-L420 VanDerWaalsContact C-N 3.34Å; A418-L420 PolarHBondContact O-N 2.84Å; A418-F422 WeakPolarHBondContact O-CB 3.12Å; A418-F422 PolarHBondContact O-N 3.24Å |
| 419 | A | 88.5 | Confident | 79.8 | Confident | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.008 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60 | -42.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | C415 R416 F422 I423 V439 V442 L443 | C415-A419 PolarHBondContact O-N 3.35Å; R416-A419 WeakPolarHBondContact O-CB 3.41Å; R416-A419 PolarHBondContact O-N 2.95Å; A419-F422 PolarHBondContact O-N 2.95Å; A419-I423 VanDerWaalsContact O-CG1 3.25Å; A419-I423 WeakPolarHBondContact O-CG1 3.1Å; A419-I423 PolarHBondContact O-N 3.14Å; A419-V439 HydrophobicContact CB-CG1 3.7Å; A419-V442 HydrophobicContact CB-CG1 4.33Å; A419-L443 HydrophobicContact CB-CD2 3.62Å; A419-L443 HydrophobicContact CB-CG 3.93Å |
| 420 | L | 87.4 | Confident | 78 | Confident | 80 Ų | 80 | 58.3 Ų | 58.3 | 42% | 0.419 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.6 | -46.3 | 179.1 | -68.4 | 172.4 | 0 | 0 | 0 | 112.7 | R416 L417 A418 F422 I423 S424 | R416-L420 WeakPolarHBondContact O-CG 3.46Å; R416-L420 PolarHBondContact O-N 2.9Å; L417-L420 PolarHBondContact O-N 3.27Å; A418-L420 VanDerWaalsContact C-N 3.34Å; A418-L420 PolarHBondContact O-N 2.84Å; L420-F422 VanDerWaalsContact C-N 3.28Å; L420-F422 PolarHBondContact O-N 3.48Å; L420-I423 WeakPolarHBondContact O-CB 3.17Å; L420-I423 PolarHBondContact O-N 2.93Å; L420-I423 VanDerWaalsContact O-N 3.14Å; L420-S424 PolarHBondContact O-N 2.93Å |
| 421 | F | 86.6 | Confident | 76.8 | Confident | 19 Ų | 19 | 59.1 Ų | 59.1 | 8% | 0.083 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.7 | -34 | 175.3 | -79.7 | -58.3 | 0 | 0 | 0 | 112.6 | L379 K391 A392 L417 I423 S424 H425 | L379-F421 HydrophobicContact CD2-CE2 4.13Å; K391-F421 HydrophobicContact CB-CB 4.42Å; K391-F421 HydrophobicContact CB-CD1 3.92Å; K391-F421 HydrophobicContact CB-CD2 3.97Å; K391-F421 HydrophobicContact CB-CE1 4.13Å; K391-F421 HydrophobicContact CB-CE2 4.16Å; K391-F421 HydrophobicContact CB-CG 3.86Å; K391-F421 HydrophobicContact CB-CZ 4.24Å; K391-F421 HydrophobicContact CD-CD1 4.03Å; K391-F421 HydrophobicContact CD-CE1 3.58Å; K391-F421 HydrophobicContact CD-CZ 3.94Å; A392-F421 HydrophobicContact CB-CB 3.75Å; L417-F421 HydrophobicContact CD1-CD2 4.2Å; L417-F421 HydrophobicContact CD1-CE2 3.79Å; L417-F421 HydrophobicContact CD1-CZ 4.46Å; L417-F421 HydrophobicContact CD2-CE2 4.09Å; L417-F421 HydrophobicContact CG-CD2 3.94Å; L417-F421 HydrophobicContact CG-CE2 3.67Å; L417-F421 WeakPolarHBondContact O-CD2 3.5Å; L417-F421 PolarHBondContact O-N 3.25Å; F421-I423 VanDerWaalsContact C-N 3.3Å; F421-I423 PolarHBondContact O-N 2.8Å; F421-S424 WeakPolarHBondContact CA-OG 3.33Å; F421-S424 PolarHBondContact O-N 3.47Å; F421-S424 PolarHBondContact O-OG 3.37Å; F421-H425 PolarHBondContact O-N 2.95Å |
| 422 | F | 82.9 | Confident | 75.8 | Confident | 28 Ų | 28 | 60.2 Ų | 60.2 | 12% | 0.123 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.4 | -34.4 | 175 | -166.6 | -98.4 | 0 | 0 | 0 | 112.1 | T10 F11 A392 A418 A419 L420 T435 A438 V439 | T10-F422 WeakPolarHBondContact OG1-CE2 3.3Å; F11-F422 HydrophobicContact CD2-CD2 4.14Å; F11-F422 HydrophobicContact CD2-CE2 4.21Å; F11-F422 HydrophobicContact CD2-CG 4.48Å; F11-F422 HydrophobicContact CE2-CB 3.78Å; F11-F422 HydrophobicContact CE2-CD1 4.2Å; F11-F422 AromaticContact CE2-CD2 3.39Å; F11-F422 HydrophobicContact CE2-CD2 3.39Å; F11-F422 AromaticContact CE2-CE2 3.92Å; F11-F422 HydrophobicContact CE2-CE2 3.92Å; F11-F422 AromaticContact CE2-CG 3.54Å; F11-F422 HydrophobicContact CE2-CG 3.54Å; F11-F422 HydrophobicContact CE2-CZ 4.5Å; F11-F422 HydrophobicContact CZ-CB 4.05Å; F11-F422 HydrophobicContact CZ-CD2 4.17Å; F11-F422 HydrophobicContact CZ-CG 4.28Å; A392-F422 HydrophobicContact CB-CB 4.22Å; A418-F422 WeakPolarHBondContact O-CB 3.12Å; A418-F422 PolarHBondContact O-N 3.24Å; A419-F422 PolarHBondContact O-N 2.95Å; L420-F422 VanDerWaalsContact C-N 3.28Å; L420-F422 PolarHBondContact O-N 3.48Å; F422-T435 HydrophobicContact CD1-CG2 3.93Å; F422-T435 HydrophobicContact CE1-CG2 3.82Å; F422-A438 HydrophobicContact CE1-CB 4Å; F422-A438 HydrophobicContact CZ-CB 4.33Å; F422-V439 HydrophobicContact CB-CG2 4.41Å; F422-V439 HydrophobicContact CD1-CG2 3.52Å; F422-V439 HydrophobicContact CE1-CG2 4.23Å; F422-V439 HydrophobicContact CG-CG2 4.37Å |
| 423 | I | 81.7 | Confident | 75.3 | Confident | 30 Ų | 30 | 64.5 Ų | 64.5 | 15% | 0.154 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -72.5 | -29.1 | 174.6 | -68.7 | 169.7 | 0 | 0 | 0 | 112.1 | A419 L420 F421 K431 Y436 V439 | A419-I423 VanDerWaalsContact O-CG1 3.25Å; A419-I423 WeakPolarHBondContact O-CG1 3.1Å; A419-I423 PolarHBondContact O-N 3.14Å; L420-I423 WeakPolarHBondContact O-CB 3.17Å; L420-I423 PolarHBondContact O-N 2.93Å; L420-I423 VanDerWaalsContact O-N 3.14Å; F421-I423 VanDerWaalsContact C-N 3.3Å; F421-I423 PolarHBondContact O-N 2.8Å; I423-K431 HydrophobicContact CG2-CD 3.96Å; I423-K431 WeakPolarHBondContact O-CE 3.45Å; I423-K431 PolarHBondContact O-NZ 3.45Å; I423-Y436 HydrophobicContact CD1-CE1 4.25Å; I423-V439 HydrophobicContact CD1-CG1 4.14Å; I423-V439 HydrophobicContact CG1-CG1 4.46Å; I423-V439 HydrophobicContact CG1-CG2 3.95Å |
| 424 | S | 77.7 | Confident | 74.5 | Confident | 28 Ų | 28 | 64.4 Ų | 64.4 | 20% | 0.196 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -79.5 | -25.1 | -179 | 69.1 | 0 | 0 | 0 | 0 | 113.5 | D388 L420 F421 N426 | D388-S424 WeakPolarHBondContact OD2-CB 3.45Å; D388-S424 PolarHBondContact OD2-OG 3.17Å; L420-S424 PolarHBondContact O-N 2.93Å; F421-S424 WeakPolarHBondContact CA-OG 3.33Å; F421-S424 PolarHBondContact O-N 3.47Å; F421-S424 PolarHBondContact O-OG 3.37Å; S424-N426 PolarHBondContact O-N 3.39Å |
| 425 | H | 67.8 | Low | 74 | Confident | 74 Ų | 74 | 64.5 Ų | 64.5 | 34% | 0.343 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -54 | -27.2 | -173.1 | -171.5 | 47.8 | 0 | 0 | 0 | 115.8 | D388 E389 F421 | D388-H425 HydrophobicContact CB-CB 4.21Å; E389-H425 IonicContact OE2-NE2 3.96Å; F421-H425 PolarHBondContact O-N 2.95Å |
| 426 | N | 57.8 | Low | 73.7 | Confident | 85 Ų | 85 | 65 Ų | 65 | 46% | 0.455 | 34% | 0.336 | S | S | . | . | trans | -121.4 | 70.6 | -178.8 | -79.1 | -20.3 | 0 | 0 | 0 | 112.2 | S424 C428 | S424-N426 PolarHBondContact O-N 3.39Å; N426-C428 VanDerWaalsContact C-N 3.29Å; N426-C428 PolarHBondContact O-N 3.14Å | ||
| 427 | E | 52.7 | Low | 73.4 | Confident | 171 Ų | 171 | 66.4 Ų | 66.4 | 80% | 0.799 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -28.4 | 175.1 | -68.7 | -165 | 151.9 | 0 | 0 | 113.4 | ||
| 428 | C | 44.3 | Very low | 72.8 | Confident | 134 Ų | 134 | 64.9 Ų | 64.9 | 91% | 0.905 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | 0.1 | -171.5 | -65.4 | 0 | 0 | 0 | 0 | 116.1 | N426 | N426-C428 VanDerWaalsContact C-N 3.29Å; N426-C428 PolarHBondContact O-N 3.14Å |
| 429 | Q | 48.1 | Very low | 72.6 | Confident | 142 Ų | 142 | 64.9 Ų | 64.9 | 66% | 0.664 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -124.2 | 145.3 | 173.8 | -70.5 | -165.1 | -2.8 | 0 | 0 | 110.8 | K431 | Q429-K431 PolarHBondContact O-N 3.28Š|
| 430 | P | 49 | Very low | 72.6 | Confident | 128 Ų | 128 | 65 Ų | 65 | 83% | 0.831 | 34% | 0.335 | S | S | * | . | trans | -53.5 | 115.5 | 169.3 | 22.7 | -31.3 | 0 | 0 | 0 | 107.9 | S432 | P430-S432 PolarHBondContact O-N 2.71Š| ||
| 431 | K | 63.2 | Low | 72.5 | Confident | 88 Ų | 88 | 62.6 Ų | 62.6 | 38% | 0.383 | 32% | 0.324 | S | S | . | . | trans | -54.7 | 113.8 | -170.5 | -67.3 | 179.4 | -178.9 | -173.3 | 0 | 109.1 | I423 Q429 Y436 | I423-K431 HydrophobicContact CG2-CD 3.96Å; I423-K431 WeakPolarHBondContact O-CE 3.45Å; I423-K431 PolarHBondContact O-NZ 3.45Å; Q429-K431 PolarHBondContact O-N 3.28Å; K431-Y436 HydrophobicContact CB-CE2 3.71Å | ||
| 432 | S | 69.4 | Low | 72.4 | Confident | 48 Ų | 48 | 62 Ų | 62 | 34% | 0.336 | 32% | 0.322 | S | S | . | . | trans | -61.9 | 150.2 | -171.8 | 69.9 | 0 | 0 | 0 | 0 | 111.5 | P430 E434 T435 | P430-S432 PolarHBondContact O-N 2.71Å; S432-E434 WeakPolarHBondContact CB-OE2 3.39Å; S432-E434 PolarHBondContact O-N 3.24Å; S432-T435 VanDerWaalsContact O-CB 3.3Å; S432-T435 WeakPolarHBondContact O-CB 3.41Å; S432-T435 PolarHBondContact O-N 2.96Å; S432-T435 PolarHBondContact OG-N 2.81Å; S432-T435 PolarHBondContact OG-OG1 2.92Å | ||
| 433 | R | 78.8 | Confident | 72.7 | Confident | 90 Ų | 90 | 60.9 Ų | 60.9 | 34% | 0.34 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -54.9 | -35.4 | 174.2 | -175.2 | 178.7 | 173.7 | 169.6 | -0.5 | 111.3 | T435 Y436 R437 A484 D485 | R433-T435 VanDerWaalsContact C-N 3.3Å; R433-T435 PolarHBondContact O-N 3.45Å; R433-Y436 PolarHBondContact O-N 2.76Å; R433-R437 WeakPolarHBondContact O-CG 3.31Å; R433-R437 PolarHBondContact O-N 2.78Å; R433-R437 VanDerWaalsContact O-N 3.12Å; R433-A484 PolarHBondContact NE-O 2.73Å; R433-A484 PolarHBondContact NH2-O 2.76Å; R433-D485 IonicContact CZ-OD2 3.92Å; R433-D485 IonicContact NE-OD2 3.79Å; R433-D485 IonicContact NH1-OD2 2.73Å; R433-D485 PolarHBondContact NH1-OD2 3.39Å; R433-D485 PolarHBondContact NH2-O 3.02Å; R433-D485 VanDerWaalsContact NH2-O 3.15Å; R433-D485 IonicContact NH2-OD2 3.21Å; R433-D485 PolarHBondContact NH2-OD2 3Å |
| 434 | E | 75.7 | Confident | 72.9 | Confident | 98 Ų | 98 | 60.4 Ų | 60.4 | 46% | 0.458 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63 | -35 | 178.3 | -67 | 60.6 | -128.6 | 0 | 0 | 112 | S432 R437 A438 | S432-E434 WeakPolarHBondContact CB-OE2 3.39Å; S432-E434 PolarHBondContact O-N 3.24Å; E434-R437 PolarHBondContact O-N 2.67Å; E434-R437 IonicContact OE1-NH1 2.98Å; E434-R437 PolarHBondContact OE1-NH1 3.02Å; E434-A438 PolarHBondContact O-N 2.9Å; E434-A438 VanDerWaalsContact O-N 3.15Å |
| 435 | T | 80.5 | Confident | 73.3 | Confident | 21 Ų | 21 | 62.8 Ų | 62.8 | 13% | 0.129 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.2 | -48.3 | 177.2 | -55.7 | 0 | 0 | 0 | 0 | 110.5 | F422 S432 R433 R437 A438 V439 | F422-T435 HydrophobicContact CD1-CG2 3.93Å; F422-T435 HydrophobicContact CE1-CG2 3.82Å; S432-T435 VanDerWaalsContact O-CB 3.3Å; S432-T435 WeakPolarHBondContact O-CB 3.41Å; S432-T435 PolarHBondContact O-N 2.96Å; S432-T435 PolarHBondContact OG-N 2.81Å; S432-T435 PolarHBondContact OG-OG1 2.92Å; R433-T435 VanDerWaalsContact C-N 3.3Å; R433-T435 PolarHBondContact O-N 3.45Å; T435-R437 VanDerWaalsContact C-N 3.33Å; T435-R437 PolarHBondContact O-N 2.82Å; T435-A438 WeakPolarHBondContact O-CB 3.47Å; T435-A438 PolarHBondContact O-N 3.32Å; T435-V439 WeakPolarHBondContact O-CG2 3.46Å; T435-V439 PolarHBondContact O-N 2.88Å; T435-V439 VanDerWaalsContact O-N 3.09Å |
| 436 | Y | 84.6 | Confident | 74.1 | Confident | 11 Ų | 11 | 59.3 Ų | 59.3 | 4% | 0.043 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -68.6 | -31.4 | 178.9 | -72.4 | -78.8 | 0 | 0 | 0 | 113 | I423 K431 R433 A438 V439 Y440 A480 R483 | I423-Y436 HydrophobicContact CD1-CE1 4.25Å; K431-Y436 HydrophobicContact CB-CE2 3.71Å; R433-Y436 PolarHBondContact O-N 2.76Å; Y436-A438 VanDerWaalsContact C-N 3.28Å; Y436-A438 PolarHBondContact O-N 2.84Å; Y436-V439 PolarHBondContact O-N 2.84Å; Y436-Y440 VanDerWaalsContact O-CB 3.3Å; Y436-Y440 WeakPolarHBondContact O-CB 3.4Å; Y436-Y440 PolarHBondContact O-N 2.97Å; Y436-A480 HydrophobicContact CD1-CB 4.22Å; Y436-R483 HydrophobicContact CD1-CB 3.89Å; Y436-R483 HydrophobicContact CD2-CB 3.51Å; Y436-R483 HydrophobicContact CD2-CG 4.48Å; Y436-R483 HydrophobicContact CE1-CB 4.15Å; Y436-R483 HydrophobicContact CE2-CB 3.78Å; Y436-R483 HydrophobicContact CE2-CG 4.27Å; Y436-R483 HydrophobicContact CG-CB 3.56Å; Y436-R483 VanDerWaalsContact OH-CD 3.29Å; Y436-R483 WeakPolarHBondContact OH-CD 3.28Å; Y436-R483 PolarHBondContact OH-NH1 3.25Å |
| 437 | R | 85.5 | Confident | 75.3 | Confident | 78 Ų | 78 | 55.9 Ų | 55.9 | 29% | 0.294 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.6 | -33.7 | 171.8 | -71.6 | 177.2 | 172.1 | 155.6 | -17.1 | 112.7 | R433 E434 T435 P441 A484 Y486 | R433-R437 WeakPolarHBondContact O-CG 3.31Å; R433-R437 PolarHBondContact O-N 2.78Å; R433-R437 VanDerWaalsContact O-N 3.12Å; E434-R437 PolarHBondContact O-N 2.67Å; E434-R437 IonicContact OE1-NH1 2.98Å; E434-R437 PolarHBondContact OE1-NH1 3.02Å; T435-R437 VanDerWaalsContact C-N 3.33Å; T435-R437 PolarHBondContact O-N 2.82Å; R437-P441 VanDerWaalsContact O-CD 3.24Å; R437-P441 WeakPolarHBondContact O-CD 3.35Å; R437-A484 HydrophobicContact CG-CB 3.83Å; R437-Y486 HydrophobicContact CG-CE2 4.09Å; R437-Y486 WeakPolarHBondContact CG-OH 3.12Å |
| 438 | A | 78.7 | Confident | 76.5 | Confident | 9 Ų | 9 | 52.6 Ų | 52.6 | 7% | 0.074 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -75.6 | -36.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | G7 F422 E434 T435 Y436 | G7-A438 WeakPolarHBondContact O-CB 3.23Å; F422-A438 HydrophobicContact CE1-CB 4Å; F422-A438 HydrophobicContact CZ-CB 4.33Å; E434-A438 PolarHBondContact O-N 2.9Å; E434-A438 VanDerWaalsContact O-N 3.15Å; T435-A438 WeakPolarHBondContact O-CB 3.47Å; T435-A438 PolarHBondContact O-N 3.32Å; Y436-A438 VanDerWaalsContact C-N 3.28Å; Y436-A438 PolarHBondContact O-N 2.84Å |
| 439 | V | 84.5 | Confident | 77.9 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -74.7 | -39.4 | -178.1 | 168.5 | 0 | 0 | 0 | 0 | 112.9 | A419 F422 I423 T435 Y436 V442 L443 | A419-V439 HydrophobicContact CB-CG1 3.7Å; F422-V439 HydrophobicContact CB-CG2 4.41Å; F422-V439 HydrophobicContact CD1-CG2 3.52Å; F422-V439 HydrophobicContact CE1-CG2 4.23Å; F422-V439 HydrophobicContact CG-CG2 4.37Å; I423-V439 HydrophobicContact CD1-CG1 4.14Å; I423-V439 HydrophobicContact CG1-CG1 4.46Å; I423-V439 HydrophobicContact CG1-CG2 3.95Å; T435-V439 WeakPolarHBondContact O-CG2 3.46Å; T435-V439 PolarHBondContact O-N 2.88Å; T435-V439 VanDerWaalsContact O-N 3.09Å; Y436-V439 PolarHBondContact O-N 2.84Å; V439-V442 WeakPolarHBondContact O-CA 3.24Å; V439-V442 WeakPolarHBondContact O-CB 3.38Å; V439-V442 PolarHBondContact O-N 3.09Å; V439-L443 HydrophobicContact CG1-CD1 3.72Å; V439-L443 HydrophobicContact CG1-CG 3.9Å; V439-L443 PolarHBondContact O-N 2.96Å; V439-L443 VanDerWaalsContact O-N 3.09Å |
| 440 | Y | 88 | Confident | 79.3 | Confident | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.008 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -53.3 | -47 | -172.4 | 171.4 | -103.2 | 0 | 0 | 0 | 113.8 | Y436 V442 L443 L444 I477 A481 Y486 H493 I534 V538 | Y436-Y440 VanDerWaalsContact O-CB 3.3Å; Y436-Y440 WeakPolarHBondContact O-CB 3.4Å; Y436-Y440 PolarHBondContact O-N 2.97Å; Y440-V442 VanDerWaalsContact C-N 3.28Å; Y440-V442 PolarHBondContact O-N 3Å; Y440-L443 PolarHBondContact O-N 3.07Å; Y440-L444 HydrophobicContact CD1-CD1 4.12Å; Y440-L444 HydrophobicContact CE1-CD1 3.57Å; Y440-L444 HydrophobicContact CE1-CG 4.33Å; Y440-L444 HydrophobicContact CE2-CD1 4.34Å; Y440-L444 HydrophobicContact CE2-CD2 4.29Å; Y440-L444 HydrophobicContact CE2-CG 4.28Å; Y440-L444 WeakPolarHBondContact O-CG 3.38Å; Y440-L444 PolarHBondContact O-N 2.92Å; Y440-I477 HydrophobicContact CD2-CG2 4.25Å; Y440-I477 HydrophobicContact CE2-CG2 3.75Å; Y440-A481 HydrophobicContact CD2-CB 4.06Å; Y440-A481 HydrophobicContact CE2-CB 3.78Å; Y440-Y486 HydrophobicContact CD1-CD2 4.18Å; Y440-Y486 HydrophobicContact CD1-CE2 4.21Å; Y440-Y486 HydrophobicContact CE1-CD2 4.37Å; Y440-H493 AromaticContact CE2-NE2 3.61Å; Y440-H493 AromaticContact CZ-NE2 3.64Å; Y440-H493 PolarHBondContact OH-NE2 2.81Å; Y440-I534 HydrophobicContact CE1-CD1 3.76Å; Y440-I534 VanDerWaalsContact OH-CD1 3.3Å; Y440-I534 WeakPolarHBondContact OH-CD1 3.14Å; Y440-V538 HydrophobicContact CE1-CG1 4.17Å |
| 441 | P | 85.5 | Confident | 80 | Confident | 30 Ų | 30 | 36.5 Ų | 36.5 | 20% | 0.195 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.9 | -30 | 174.4 | -22.7 | 33.4 | 0 | 0 | 0 | 114.7 | R437 K445 V538 | R437-P441 VanDerWaalsContact O-CD 3.24Å; R437-P441 WeakPolarHBondContact O-CD 3.35Å; P441-K445 WeakPolarHBondContact O-CG 2.97Å; P441-K445 PolarHBondContact O-N 2.84Å; P441-V538 HydrophobicContact CB-CG2 4.44Å; P441-V538 HydrophobicContact CG-CG2 4.37Å |
| 442 | V | 85 | Confident | 79.9 | Confident | 6 Ų | 6 | 39.8 Ų | 39.8 | 4% | 0.036 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -71.9 | -40.1 | 177.8 | 179 | 0 | 0 | 0 | 0 | 110.6 | F11 W396 C415 A419 V439 Y440 K445 A446 | F11-V442 HydrophobicContact CD1-CG2 4.18Å; F11-V442 HydrophobicContact CD2-CG2 4.34Å; F11-V442 HydrophobicContact CE1-CG2 4.47Å; F11-V442 HydrophobicContact CG-CG2 4.11Å; W396-V442 HydrophobicContact CE3-CG1 4.24Å; W396-V442 HydrophobicContact CZ3-CG1 3.91Å; W396-V442 HydrophobicContact CZ3-CG2 4.4Å; C415-V442 HydrophobicContact CB-CG1 4.25Å; C415-V442 WeakPolarHBondContact O-CG1 3.49Å; A419-V442 HydrophobicContact CB-CG1 4.33Å; V439-V442 WeakPolarHBondContact O-CA 3.24Å; V439-V442 WeakPolarHBondContact O-CB 3.38Å; V439-V442 PolarHBondContact O-N 3.09Å; Y440-V442 VanDerWaalsContact C-N 3.28Å; Y440-V442 PolarHBondContact O-N 3Å; V442-K445 WeakPolarHBondContact O-CB 3.47Å; V442-K445 PolarHBondContact O-N 2.74Å; V442-A446 PolarHBondContact O-N 3.41Å |
| 443 | L | 88.1 | Confident | 79.1 | Confident | 6 Ų | 6 | 39.7 Ų | 39.7 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68 | -37.1 | 174.9 | -68.4 | 174.8 | 0 | 0 | 0 | 112.1 | R416 A419 V439 Y440 K445 A446 L447 I473 I477 A480 | R416-L443 HydrophobicContact CG-CD2 4.36Å; A419-L443 HydrophobicContact CB-CD2 3.62Å; A419-L443 HydrophobicContact CB-CG 3.93Å; V439-L443 HydrophobicContact CG1-CD1 3.72Å; V439-L443 HydrophobicContact CG1-CG 3.9Å; V439-L443 PolarHBondContact O-N 2.96Å; V439-L443 VanDerWaalsContact O-N 3.09Å; Y440-L443 PolarHBondContact O-N 3.07Å; L443-K445 VanDerWaalsContact C-N 3.31Å; L443-K445 PolarHBondContact O-N 2.86Å; L443-A446 WeakPolarHBondContact O-CA 2.91Å; L443-A446 WeakPolarHBondContact O-CB 3.3Å; L443-A446 PolarHBondContact O-N 3.01Å; L443-L447 PolarHBondContact O-N 3.38Å; L443-I473 HydrophobicContact CD2-CD1 3.97Å; L443-I477 HydrophobicContact CB-CD1 4.3Å; L443-I477 HydrophobicContact CB-CG1 3.63Å; L443-I477 HydrophobicContact CD1-CG1 4.43Å; L443-A480 HydrophobicContact CD1-CB 3.85Å |
| 444 | L | 86.6 | Confident | 77.8 | Confident | 20 Ų | 20 | 38 Ų | 38 | 11% | 0.105 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.8 | -41.5 | 173.4 | -71.9 | 177.6 | 0 | 0 | 0 | 112.2 | Y440 A446 L447 D448 I477 V538 | Y440-L444 HydrophobicContact CD1-CD1 4.12Å; Y440-L444 HydrophobicContact CE1-CD1 3.57Å; Y440-L444 HydrophobicContact CE1-CG 4.33Å; Y440-L444 HydrophobicContact CE2-CD1 4.34Å; Y440-L444 HydrophobicContact CE2-CD2 4.29Å; Y440-L444 HydrophobicContact CE2-CG 4.28Å; Y440-L444 WeakPolarHBondContact O-CG 3.38Å; Y440-L444 PolarHBondContact O-N 2.92Å; L444-A446 VanDerWaalsContact C-N 3.25Å; L444-A446 PolarHBondContact O-N 2.9Å; L444-L447 WeakPolarHBondContact O-CB 3.21Å; L444-L447 PolarHBondContact O-N 3.21Å; L444-L447 VanDerWaalsContact O-N 3.07Å; L444-D448 PolarHBondContact O-N 3.24Å; L444-I477 HydrophobicContact CD2-CD1 4.46Å; L444-I477 HydrophobicContact CD2-CG2 4.03Å; L444-V538 HydrophobicContact CD1-CG1 3.53Å; L444-V538 HydrophobicContact CD1-CG2 4.31Å |
| 445 | K | 84.8 | Confident | 76.4 | Confident | 78 Ų | 78 | 38.8 Ų | 38.8 | 34% | 0.339 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -60.6 | -34.2 | 174.2 | -74.4 | 174.2 | 179.2 | -179.1 | 0 | 113 | W396 Y411 P441 V442 L443 | W396-K445 HydrophobicContact CH2-CD 3.73Å; W396-K445 HydrophobicContact CZ3-CD 4.32Å; Y411-K445 HydrophobicContact CE1-CB 4.5Å; Y411-K445 WeakPolarHBondContact OH-CB 3.23Å; P441-K445 WeakPolarHBondContact O-CG 2.97Å; P441-K445 PolarHBondContact O-N 2.84Å; V442-K445 WeakPolarHBondContact O-CB 3.47Å; V442-K445 PolarHBondContact O-N 2.74Å; L443-K445 VanDerWaalsContact C-N 3.31Å; L443-K445 PolarHBondContact O-N 2.86Å |
| 446 | A | 85.8 | Confident | 74.6 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69 | -41.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | A412 C415 R416 V442 L443 L444 S449 Y450 I473 | A412-A446 HydrophobicContact CB-CB 4.36Å; A412-A446 WeakPolarHBondContact O-CB 3.18Å; C415-A446 HydrophobicContact CB-CB 3.98Å; R416-A446 HydrophobicContact CB-CB 4.45Å; V442-A446 PolarHBondContact O-N 3.41Å; L443-A446 WeakPolarHBondContact O-CA 2.91Å; L443-A446 WeakPolarHBondContact O-CB 3.3Å; L443-A446 PolarHBondContact O-N 3.01Å; L444-A446 VanDerWaalsContact C-N 3.25Å; L444-A446 PolarHBondContact O-N 2.9Å; A446-S449 PolarHBondContact O-N 3.26Å; A446-Y450 HydrophobicContact CB-CE2 4.36Å; A446-Y450 WeakPolarHBondContact O-CD2 3.26Å; A446-Y450 PolarHBondContact O-N 3.25Å; A446-I473 HydrophobicContact CB-CD1 4.3Å |
| 447 | L | 83.7 | Confident | 72.4 | Confident | 13 Ų | 13 | 46 Ų | 46 | 7% | 0.068 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.3 | -51.1 | 177.7 | -174.3 | 68.4 | 0 | 0 | 0 | 111.9 | L443 L444 S449 Y450 T451 I473 L474 I477 | L443-L447 PolarHBondContact O-N 3.38Å; L444-L447 WeakPolarHBondContact O-CB 3.21Å; L444-L447 PolarHBondContact O-N 3.21Å; L444-L447 VanDerWaalsContact O-N 3.07Å; L447-S449 PolarHBondContact O-N 3.5Å; L447-Y450 CarbonylContact O-C 3.22Å; L447-Y450 WeakPolarHBondContact O-CA 3.47Å; L447-Y450 PolarHBondContact O-N 2.88Å; L447-T451 HydrophobicContact CD1-CG2 3.44Å; L447-T451 VanDerWaalsContact CD1-CG2 3.44Å; L447-T451 HydrophobicContact CG-CG2 3.83Å; L447-T451 PolarHBondContact O-N 2.89Å; L447-T451 PolarHBondContact O-OG1 2.85Å; L447-I473 HydrophobicContact CD1-CG2 3.76Å; L447-L474 HydrophobicContact CD1-CD2 3.65Å; L447-L474 HydrophobicContact CD1-CG 3.74Å; L447-L474 HydrophobicContact CD2-CD2 3.8Å; L447-L474 HydrophobicContact CG-CD2 4.4Å; L447-I477 HydrophobicContact CB-CD1 3.58Å; L447-I477 HydrophobicContact CD1-CD1 4.14Å; L447-I477 HydrophobicContact CD2-CD1 3.83Å; L447-I477 HydrophobicContact CG-CD1 4.06Å |
| 448 | D | 77.2 | Confident | 70.1 | Confident | 102 Ų | 102 | 46.3 Ų | 46.3 | 55% | 0.545 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -51.7 | -36.4 | -177.4 | -74.1 | -11.9 | 0 | 0 | 0 | 112.8 | L444 K452 | L444-D448 PolarHBondContact O-N 3.24Å; D448-K452 WeakPolarHBondContact O-CB 3.4Å; D448-K452 PolarHBondContact O-N 3.4Å; D448-K452 VanDerWaalsContact O-N 3.16Å |
| 449 | S | 74.4 | Confident | 68.1 | Low | 20 Ų | 20 | 52.9 Ų | 52.9 | 14% | 0.14 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -82.5 | -24 | -179.8 | -67.1 | 0 | 0 | 0 | 0 | 113.6 | Y411 A446 L447 | Y411-S449 WeakPolarHBondContact CD1-OG 3.19Å; A446-S449 PolarHBondContact O-N 3.26Å; L447-S449 PolarHBondContact O-N 3.5Å |
| 450 | Y | 75.7 | Confident | 65.5 | Low | 27 Ų | 27 | 56.4 Ų | 56.4 | 11% | 0.106 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -85.9 | -26.1 | 173.3 | -70.7 | -51.4 | 0 | 0 | 0 | 113.3 | A412 F413 A446 L447 V469 Q470 I473 | A412-Y450 HydrophobicContact CB-CD1 4.15Å; A412-Y450 HydrophobicContact CB-CD2 3.89Å; A412-Y450 HydrophobicContact CB-CE1 3.77Å; A412-Y450 HydrophobicContact CB-CE2 3.49Å; A412-Y450 VanDerWaalsContact CB-CE2 3.49Å; A412-Y450 HydrophobicContact CB-CG 4.2Å; A412-Y450 VanDerWaalsContact CB-CZ 3.42Å; F413-Y450 VanDerWaalsContact CA-OH 3.29Å; F413-Y450 WeakPolarHBondContact CA-OH 3.39Å; F413-Y450 PolarHBondContact N-OH 3.33Å; F413-Y450 VanDerWaalsContact N-OH 3.16Å; A446-Y450 HydrophobicContact CB-CE2 4.36Å; A446-Y450 WeakPolarHBondContact O-CD2 3.26Å; A446-Y450 PolarHBondContact O-N 3.25Å; L447-Y450 CarbonylContact O-C 3.22Å; L447-Y450 WeakPolarHBondContact O-CA 3.47Å; L447-Y450 PolarHBondContact O-N 2.88Å; Y450-V469 HydrophobicContact CD1-CG1 4.34Å; Y450-V469 HydrophobicContact CE1-CG1 4.14Å; Y450-V469 HydrophobicContact CE2-CG1 4.32Å; Y450-Q470 PolarHBondContact O-NE2 3.32Å; Y450-I473 HydrophobicContact CD2-CG1 4.44Å; Y450-I473 HydrophobicContact CD2-CG2 4.29Å |
| 451 | T | 65.3 | Low | 63 | Low | 19 Ų | 19 | 63.3 Ų | 63.3 | 12% | 0.117 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -102.7 | -7.9 | -175.8 | 59.6 | 0 | 0 | 0 | 0 | 114 | L447 G453 I454 | L447-T451 HydrophobicContact CD1-CG2 3.44Å; L447-T451 VanDerWaalsContact CD1-CG2 3.44Å; L447-T451 HydrophobicContact CG-CG2 3.83Å; L447-T451 PolarHBondContact O-N 2.89Å; L447-T451 PolarHBondContact O-OG1 2.85Å; T451-G453 PolarHBondContact O-N 2.96Å; T451-I454 HydrophobicContact CG2-CD1 3.97Å; T451-I454 PolarHBondContact O-N 2.92Å |
| 452 | K | 60.6 | Low | 60.7 | Low | 158 Ų | 158 | 68 Ų | 68 | 69% | 0.687 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | 98.9 | 171.4 | -125.3 | 176.6 | 178.4 | 177.4 | 0 | 109.8 | D448 | D448-K452 WeakPolarHBondContact O-CB 3.4Å; D448-K452 PolarHBondContact O-N 3.4Å; D448-K452 VanDerWaalsContact O-N 3.16Å |
| 453 | G | 51.4 | Low | 58.4 | Low | 46 Ų | 46 | 76.7 Ų | 76.7 | 47% | 0.474 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 137.3 | -30.2 | -173 | 0 | 0 | 0 | 0 | 0 | 114.1 | T451 | T451-G453 PolarHBondContact O-N 2.96Š|
| 454 | I | 51.8 | Low | 56.5 | Low | 55 Ų | 55 | 84.4 Ų | 84.4 | 28% | 0.282 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -37.9 | 179.8 | -61.1 | 178.5 | 0 | 0 | 0 | 111.3 | T451 F496 N500 | T451-I454 HydrophobicContact CG2-CD1 3.97Å; T451-I454 PolarHBondContact O-N 2.92Å; I454-F496 HydrophobicContact CG2-CZ 4.35Å; I454-N500 HydrophobicContact CG2-CB 4.07Å |
| 455 | N | 48 | Very low | 55 | Low | 113 Ų | 113 | 84.5 Ų | 84.5 | 60% | 0.604 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | 7.1 | -175.1 | -67.9 | -7.2 | 0 | 0 | 0 | 114.3 | S457 | N455-S457 VanDerWaalsContact C-N 3.28Å; N455-S457 PolarHBondContact O-N 3.49Å |
| 456 | S | 41 | Very low | 54.3 | Low | 74 Ų | 74 | 87.4 Ų | 87.4 | 52% | 0.517 | 48% | 0.478 | S | S | . | . | trans | -78 | 78.9 | 179.6 | -175.7 | 0 | 0 | 0 | 0 | 110.5 | A458 | S456-A458 PolarHBondContact O-N 2.55Š| ||
| 457 | S | 39.8 | Very low | 53.8 | Low | 110 Ų | 110 | 88.8 Ų | 88.8 | 77% | 0.769 | 49% | 0.487 | S | S | * | . | trans | -80.4 | 84.5 | 172.2 | 62.1 | 0 | 0 | 0 | 0 | 110.3 | N455 | N455-S457 VanDerWaalsContact C-N 3.28Å; N455-S457 PolarHBondContact O-N 3.49Å | ||
| 458 | A | 37 | Very low | 53.6 | Low | 84 Ų | 84 | 90 Ų | 90 | 69% | 0.694 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -175.7 | -59.4 | 152.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | S456 | S456-A458 PolarHBondContact O-N 2.55Š|
| 459 | D | 35.2 | Very low | 53.9 | Low | 148 Ų | 148 | 86.8 Ų | 86.8 | 79% | 0.791 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -152.9 | 93.7 | -168.2 | -69.8 | -58.6 | 0 | 0 | 0 | 110.8 | ||
| 460 | A | 31.5 | Very low | 54.4 | Low | 74 Ų | 74 | 86.3 Ų | 86.3 | 61% | 0.612 | 48% | 0.482 | S | S | * | . | trans | -174.2 | 108.4 | 160 | 0 | 0 | 0 | 0 | 0 | 111.2 | T462 | A460-T462 PolarHBondContact O-N 2.9Š| ||
| 461 | E | 34.8 | Very low | 55 | Low | 147 Ų | 147 | 85.7 Ų | 85.7 | 69% | 0.687 | 48% | 0.481 | S | S | * | . | trans | 2.3 | 99.4 | 142.7 | -58.8 | -179 | 164.7 | 0 | 0 | 114.5 | Y463 | E461-Y463 PolarHBondContact O-N 3.49Š| ||
| 462 | T | 37.9 | Very low | 56 | Low | 128 Ų | 128 | 87.6 Ų | 87.6 | 79% | 0.785 | 49% | 0.491 | S | S | * | . | trans | -62 | 102 | -158.7 | -27 | 0 | 0 | 0 | 0 | 112.9 | A460 Y464 | A460-T462 PolarHBondContact O-N 2.9Å; T462-Y464 PolarHBondContact O-N 2.77Å; T462-Y464 VanDerWaalsContact O-N 3.12Å | ||
| 463 | Y | 36.5 | Very low | 57.4 | Low | 188 Ų | 188 | 80.1 Ų | 80.1 | 74% | 0.737 | 46% | 0.458 | S | S | * | . | trans | -73.1 | 96.6 | 171.9 | -138.4 | -94.3 | 0 | 0 | 0 | 109 | E461 G465 | E461-Y463 PolarHBondContact O-N 3.49Å; Y463-G465 PolarHBondContact O-N 3.1Å | ||
| 464 | Y | 48.5 | Very low | 59.2 | Low | 168 Ų | 168 | 78 Ų | 78 | 66% | 0.659 | 44% | 0.436 | S | S | * | . | trans | -68 | 115 | 164.3 | -107.9 | -96.8 | 0 | 0 | 0 | 107.7 | T462 P467 | T462-Y464 PolarHBondContact O-N 2.77Å; T462-Y464 VanDerWaalsContact O-N 3.12Å; Y464-P467 HydrophobicContact CD1-CG 3.89Å; Y464-P467 HydrophobicContact CE1-CG 4.09Å | ||
| 465 | G | 55 | Low | 61.1 | Low | 23 Ų | 23 | 78.8 Ų | 78.8 | 24% | 0.237 | 44% | 0.438 | C | S | . | . | trans | -63.1 | -159.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y463 P467 | Y463-G465 PolarHBondContact O-N 3.1Å; G465-P467 VanDerWaalsContact O-CD 3.24Å; G465-P467 WeakPolarHBondContact O-CD 3.35Å | ||
| 466 | W | 70.2 | Confident | 63.2 | Low | 138 Ų | 138 | 75.6 Ų | 75.6 | 52% | 0.523 | 42% | 0.42 | S | S | . | . | trans | -96.5 | 98.7 | 163.8 | -64.8 | -58.1 | 0 | 0 | 0 | 107.5 | R409 G468 V469 Q470 | R409-W466 VanDerWaalsContact NE-CH2 3.32Å; W466-G468 PolarHBondContact O-N 2.9Å; W466-G468 VanDerWaalsContact O-N 3.17Å; W466-V469 HydrophobicContact CB-CB 3.95Å; W466-V469 HydrophobicContact CB-CG2 3.7Å; W466-V469 HydrophobicContact CD2-CG2 4.49Å; W466-V469 HydrophobicContact CE3-CG2 4.21Å; W466-V469 HydrophobicContact CG-CG2 4.35Å; W466-V469 PolarHBondContact O-N 2.93Å; W466-Q470 PolarHBondContact O-N 2.93Å | ||
| 467 | P | 73.8 | Confident | 65.6 | Low | 29 Ų | 29 | 72.1 Ų | 72.1 | 19% | 0.188 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -57 | -37.7 | -174.3 | -25.9 | 35.5 | 0 | 0 | 0 | 112.3 | Y464 G465 V469 Q470 V471 S504 | Y464-P467 HydrophobicContact CD1-CG 3.89Å; Y464-P467 HydrophobicContact CE1-CG 4.09Å; G465-P467 VanDerWaalsContact O-CD 3.24Å; G465-P467 WeakPolarHBondContact O-CD 3.35Å; P467-V469 VanDerWaalsContact C-N 3.32Å; P467-V469 PolarHBondContact O-N 3.2Å; P467-Q470 CarbonylContact O-C 3.58Å; P467-Q470 PolarHBondContact O-N 3.29Å; P467-Q470 VanDerWaalsContact O-N 3.12Å; P467-V471 WeakPolarHBondContact O-CB 3.46Å; P467-V471 VanDerWaalsContact O-CG2 3.28Å; P467-V471 WeakPolarHBondContact O-CG2 3.09Å; P467-V471 PolarHBondContact O-N 2.02Å; P467-S504 VanDerWaalsContact CB-CB 3.5Å; P467-S504 VanDerWaalsContact CB-OG 3.27Å; P467-S504 WeakPolarHBondContact CB-OG 3.01Å |
| 468 | G | 80.5 | Confident | 68.1 | Low | 39 Ų | 39 | 66.9 Ų | 66.9 | 40% | 0.402 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.5 | -37.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | W466 N472 | W466-G468 PolarHBondContact O-N 2.9Å; W466-G468 VanDerWaalsContact O-N 3.17Å; G468-N472 WeakPolarHBondContact O-CB 3.07Å; G468-N472 PolarHBondContact O-N 3.2Å; G468-N472 PolarHBondContact O-OD1 2.78Å |
| 469 | V | 82.5 | Confident | 70.6 | Confident | 34 Ų | 34 | 64.4 Ų | 64.4 | 21% | 0.206 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -70.6 | -38.6 | 175.2 | 179.7 | 0 | 0 | 0 | 0 | 110.7 | Y450 W466 P467 N472 I473 | Y450-V469 HydrophobicContact CD1-CG1 4.34Å; Y450-V469 HydrophobicContact CE1-CG1 4.14Å; Y450-V469 HydrophobicContact CE2-CG1 4.32Å; W466-V469 HydrophobicContact CB-CB 3.95Å; W466-V469 HydrophobicContact CB-CG2 3.7Å; W466-V469 HydrophobicContact CD2-CG2 4.49Å; W466-V469 HydrophobicContact CE3-CG2 4.21Å; W466-V469 HydrophobicContact CG-CG2 4.35Å; W466-V469 PolarHBondContact O-N 2.93Å; P467-V469 VanDerWaalsContact C-N 3.32Å; P467-V469 PolarHBondContact O-N 3.2Å; V469-N472 PolarHBondContact O-N 3.32Å; V469-I473 WeakPolarHBondContact O-CG2 3.28Å; V469-I473 PolarHBondContact O-N 2.82Å |
| 470 | Q | 85.5 | Confident | 73.2 | Confident | 11 Ų | 11 | 57.5 Ų | 57.5 | 5% | 0.051 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.1 | -42.1 | 178.2 | -68.1 | 171.9 | -25.1 | 0 | 0 | 112 | Y450 W466 P467 I473 L474 L501 | Y450-Q470 PolarHBondContact O-NE2 3.32Å; W466-Q470 PolarHBondContact O-N 2.93Å; P467-Q470 CarbonylContact O-C 3.58Å; P467-Q470 PolarHBondContact O-N 3.29Å; P467-Q470 VanDerWaalsContact O-N 3.12Å; Q470-I473 VanDerWaalsContact O-CG2 3.29Å; Q470-I473 WeakPolarHBondContact O-CG2 3.42Å; Q470-L474 VanDerWaalsContact O-CB 3.29Å; Q470-L474 WeakPolarHBondContact O-CB 3.28Å; Q470-L474 WeakPolarHBondContact O-CD1 3.44Å; Q470-L474 VanDerWaalsContact O-CG 3.3Å; Q470-L474 WeakPolarHBondContact O-CG 3.32Å; Q470-L474 PolarHBondContact O-N 3.19Å; Q470-L501 HydrophobicContact CB-CD1 3.83Å |
| 471 | V | 87.6 | Confident | 75.9 | Confident | 13 Ų | 13 | 54 Ų | 54 | 8% | 0.079 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.7 | -49.1 | 172.5 | 170.1 | 0 | 0 | 0 | 0 | 109.8 | P467 I473 L474 H475 L497 L501 L505 | P467-V471 WeakPolarHBondContact O-CB 3.46Å; P467-V471 VanDerWaalsContact O-CG2 3.28Å; P467-V471 WeakPolarHBondContact O-CG2 3.09Å; P467-V471 PolarHBondContact O-N 2.02Å; V471-I473 PolarHBondContact O-N 3.04Å; V471-L474 PolarHBondContact O-N 2.81Å; V471-H475 WeakPolarHBondContact O-CB 3.41Å; V471-H475 PolarHBondContact O-N 2.77Å; V471-L497 HydrophobicContact CG1-CD1 4.27Å; V471-L501 HydrophobicContact CG2-CB 4.35Å; V471-L501 HydrophobicContact CG2-CD1 3.94Å; V471-L505 HydrophobicContact CG1-CD2 3.82Å; V471-L505 HydrophobicContact CG2-CD2 3.8Å |
| 472 | N | 88 | Confident | 78.6 | Confident | 60 Ų | 60 | 49.5 Ų | 49.5 | 32% | 0.321 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -64.3 | -43.3 | -177.8 | -68.1 | 3.7 | 0 | 0 | 0 | 112.5 | G468 V469 H475 E476 | G468-N472 WeakPolarHBondContact O-CB 3.07Å; G468-N472 PolarHBondContact O-N 3.2Å; G468-N472 PolarHBondContact O-OD1 2.78Å; V469-N472 PolarHBondContact O-N 3.32Å; N472-H475 PolarHBondContact O-N 2.95Å; N472-E476 VanDerWaalsContact O-CG 3.32Å; N472-E476 WeakPolarHBondContact O-CG 3.35Å; N472-E476 PolarHBondContact O-N 3.24Å |
| 473 | I | 88.4 | Confident | 80.9 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.7 | -37.1 | 178 | -168.5 | 64.1 | 0 | 0 | 0 | 111.8 | R416 L443 A446 L447 Y450 V469 Q470 V471 E476 I477 | R416-I473 HydrophobicContact CB-CD1 4.39Å; R416-I473 HydrophobicContact CG-CD1 3.96Å; L443-I473 HydrophobicContact CD2-CD1 3.97Å; A446-I473 HydrophobicContact CB-CD1 4.3Å; L447-I473 HydrophobicContact CD1-CG2 3.76Å; Y450-I473 HydrophobicContact CD2-CG1 4.44Å; Y450-I473 HydrophobicContact CD2-CG2 4.29Å; V469-I473 WeakPolarHBondContact O-CG2 3.28Å; V469-I473 PolarHBondContact O-N 2.82Å; Q470-I473 VanDerWaalsContact O-CG2 3.29Å; Q470-I473 WeakPolarHBondContact O-CG2 3.42Å; V471-I473 PolarHBondContact O-N 3.04Å; I473-E476 PolarHBondContact O-N 2.79Å; I473-I477 HydrophobicContact CG1-CD1 4Å; I473-I477 WeakPolarHBondContact O-CB 3.26Å; I473-I477 WeakPolarHBondContact O-CD1 3.43Å; I473-I477 WeakPolarHBondContact O-CG1 3.15Å; I473-I477 PolarHBondContact O-N 2.95Å |
| 474 | L | 90.3 | Very high | 83.3 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.3 | -39.9 | 175.5 | -80.2 | 166.3 | 0 | 0 | 0 | 111.5 | L447 Q470 V471 I477 H478 F496 L497 L501 | L447-L474 HydrophobicContact CD1-CD2 3.65Å; L447-L474 HydrophobicContact CD1-CG 3.74Å; L447-L474 HydrophobicContact CD2-CD2 3.8Å; L447-L474 HydrophobicContact CG-CD2 4.4Å; Q470-L474 VanDerWaalsContact O-CB 3.29Å; Q470-L474 WeakPolarHBondContact O-CB 3.28Å; Q470-L474 WeakPolarHBondContact O-CD1 3.44Å; Q470-L474 VanDerWaalsContact O-CG 3.3Å; Q470-L474 WeakPolarHBondContact O-CG 3.32Å; Q470-L474 PolarHBondContact O-N 3.19Å; V471-L474 PolarHBondContact O-N 2.81Å; L474-I477 PolarHBondContact O-N 3.4Å; L474-H478 VanDerWaalsContact O-CB 3.24Å; L474-H478 WeakPolarHBondContact O-CB 3.12Å; L474-H478 PolarHBondContact O-N 3.42Å; L474-F496 HydrophobicContact CD1-CD1 3.89Å; L474-F496 HydrophobicContact CD1-CE1 4.15Å; L474-F496 HydrophobicContact CD2-CD1 3.86Å; L474-F496 HydrophobicContact CD2-CE1 4.4Å; L474-L497 HydrophobicContact CB-CB 4.38Å; L474-L497 HydrophobicContact CB-CD1 3.84Å; L474-L497 HydrophobicContact CD1-CB 4.04Å; L474-L501 HydrophobicContact CD1-CD1 3.69Å |
| 475 | H | 92 | Very high | 85.2 | Confident | 72 Ų | 72 | 37.3 Ų | 37.3 | 33% | 0.333 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61.9 | -46.1 | 172.5 | 179.1 | 66.6 | 0 | 0 | 0 | 111.5 | V471 N472 I477 H478 V479 Y513 | V471-H475 WeakPolarHBondContact O-CB 3.41Å; V471-H475 PolarHBondContact O-N 2.77Å; N472-H475 PolarHBondContact O-N 2.95Å; H475-I477 VanDerWaalsContact C-N 3.33Å; H475-I477 PolarHBondContact O-N 3.16Å; H475-H478 WeakPolarHBondContact O-CB 3.45Å; H475-H478 PolarHBondContact O-N 2.86Å; H475-V479 WeakPolarHBondContact O-CG2 3.32Å; H475-V479 PolarHBondContact O-N 3.11Å; H475-Y513 AromaticContact ND1-CE1 3.61Å; H475-Y513 AromaticContact ND1-CZ 3.97Å; H475-Y513 PolarHBondContact ND1-OH 2.99Å |
| 476 | E | 90.9 | Very high | 86.8 | Confident | 47 Ų | 47 | 38.8 Ų | 38.8 | 22% | 0.22 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.8 | -41.7 | 175.5 | -75.7 | 173 | -176.2 | 0 | 0 | 112.5 | R416 N472 I473 V479 A480 | R416-E476 IonicContact CZ-OE1 2.72Å; R416-E476 VanDerWaalsContact CZ-OE1 3.27Å; R416-E476 IonicContact CZ-OE2 3.48Å; R416-E476 IonicContact NE-OE1 3.95Å; R416-E476 PolarHBondContact NE-OE1 2.84Å; R416-E476 IonicContact NE-OE2 3.69Å; R416-E476 PolarHBondContact NE-OE2 2.84Å; R416-E476 IonicContact NH2-OE1 3.87Å; R416-E476 PolarHBondContact NH2-OE1 2.63Å; R416-E476 IonicContact NH2-OE2 3.86Å; N472-E476 VanDerWaalsContact O-CG 3.32Å; N472-E476 WeakPolarHBondContact O-CG 3.35Å; N472-E476 PolarHBondContact O-N 3.24Å; I473-E476 PolarHBondContact O-N 2.79Å; E476-V479 PolarHBondContact O-N 2.71Å; E476-A480 VanDerWaalsContact O-CB 3.23Å; E476-A480 WeakPolarHBondContact O-CB 3.21Å; E476-A480 PolarHBondContact O-N 3.19Å |
| 477 | I | 91 | Very high | 87.6 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.2 | -43.5 | 176.9 | -72 | 166.7 | 0 | 0 | 0 | 111.1 | Y440 L443 L444 L447 I473 L474 H475 A480 A481 H493 | Y440-I477 HydrophobicContact CD2-CG2 4.25Å; Y440-I477 HydrophobicContact CE2-CG2 3.75Å; L443-I477 HydrophobicContact CB-CD1 4.3Å; L443-I477 HydrophobicContact CB-CG1 3.63Å; L443-I477 HydrophobicContact CD1-CG1 4.43Å; L444-I477 HydrophobicContact CD2-CD1 4.46Å; L444-I477 HydrophobicContact CD2-CG2 4.03Å; L447-I477 HydrophobicContact CB-CD1 3.58Å; L447-I477 HydrophobicContact CD1-CD1 4.14Å; L447-I477 HydrophobicContact CD2-CD1 3.83Å; L447-I477 HydrophobicContact CG-CD1 4.06Å; I473-I477 HydrophobicContact CG1-CD1 4Å; I473-I477 WeakPolarHBondContact O-CB 3.26Å; I473-I477 WeakPolarHBondContact O-CD1 3.43Å; I473-I477 WeakPolarHBondContact O-CG1 3.15Å; I473-I477 PolarHBondContact O-N 2.95Å; L474-I477 PolarHBondContact O-N 3.4Å; H475-I477 VanDerWaalsContact C-N 3.33Å; H475-I477 PolarHBondContact O-N 3.16Å; I477-A480 PolarHBondContact O-N 2.99Å; I477-A481 VanDerWaalsContact O-CB 3.31Å; I477-A481 WeakPolarHBondContact O-CB 3.38Å; I477-A481 PolarHBondContact O-N 2.81Å; I477-H493 HydrophobicContact CG2-CB 4.45Å; I477-H493 VanDerWaalsContact CG2-CD2 3.42Å; I477-H493 WeakPolarHBondContact CG2-CD2 3.22Å; I477-H493 WeakPolarHBondContact CG2-NE2 3.35Å |
| 478 | H | 92.5 | Very high | 88.3 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.5 | -49.7 | 175.5 | 165 | 81.9 | 0 | 0 | 0 | 111.2 | L474 H475 A480 A481 L482 S490 H493 E516 | L474-H478 VanDerWaalsContact O-CB 3.24Å; L474-H478 WeakPolarHBondContact O-CB 3.12Å; L474-H478 PolarHBondContact O-N 3.42Å; H475-H478 WeakPolarHBondContact O-CB 3.45Å; H475-H478 PolarHBondContact O-N 2.86Å; H478-A480 PolarHBondContact O-N 3.11Å; H478-A481 PolarHBondContact O-N 3.47Å; H478-L482 WeakPolarHBondContact NE2-CD1 3.34Å; H478-L482 PolarHBondContact O-N 2.81Å; H478-S490 PolarHBondContact CE1-OG 2.79Å; H478-S490 PolarHBondContact ND1-O 2.9Å; H478-S490 PolarHBondContact ND1-OG 2.83Å; H478-H493 HydrophobicContact CB-CB 4.44Å; H478-E516 IonicContact NE2-OE1 2.71Å; H478-E516 PolarHBondContact NE2-OE1 3.46Å; H478-E516 IonicContact NE2-OE2 3.59Å |
| 479 | V | 90.2 | Very high | 88.6 | Confident | 32 Ų | 32 | 36.4 Ų | 36.4 | 19% | 0.194 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.8 | -41.8 | 177.3 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | H475 E476 A481 L482 R483 | H475-V479 WeakPolarHBondContact O-CG2 3.32Å; H475-V479 PolarHBondContact O-N 3.11Å; E476-V479 PolarHBondContact O-N 2.71Å; V479-A481 VanDerWaalsContact C-N 3.35Å; V479-A481 PolarHBondContact O-N 2.98Å; V479-L482 PolarHBondContact O-N 3.42Å; V479-R483 WeakPolarHBondContact O-CG 3.42Å; V479-R483 PolarHBondContact O-N 3.44Å |
| 480 | A | 88.6 | Confident | 89 | Confident | 3 Ų | 3 | 34.8 Ų | 34.8 | 3% | 0.025 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.5 | -40.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | Y436 L443 E476 I477 H478 R483 A484 | Y436-A480 HydrophobicContact CD1-CB 4.22Å; L443-A480 HydrophobicContact CD1-CB 3.85Å; E476-A480 VanDerWaalsContact O-CB 3.23Å; E476-A480 WeakPolarHBondContact O-CB 3.21Å; E476-A480 PolarHBondContact O-N 3.19Å; I477-A480 PolarHBondContact O-N 2.99Å; H478-A480 PolarHBondContact O-N 3.11Å; A480-R483 PolarHBondContact O-N 3.26Å; A480-A484 WeakPolarHBondContact O-CB 3.44Å; A480-A484 PolarHBondContact O-N 2.82Å |
| 481 | A | 90 | Very high | 89.3 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.9 | -42.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y440 I477 H478 V479 A484 D485 Y486 A489 | Y440-A481 HydrophobicContact CD2-CB 4.06Å; Y440-A481 HydrophobicContact CE2-CB 3.78Å; I477-A481 VanDerWaalsContact O-CB 3.31Å; I477-A481 WeakPolarHBondContact O-CB 3.38Å; I477-A481 PolarHBondContact O-N 2.81Å; H478-A481 PolarHBondContact O-N 3.47Å; V479-A481 VanDerWaalsContact C-N 3.35Å; V479-A481 PolarHBondContact O-N 2.98Å; A481-A484 PolarHBondContact O-N 2.91Å; A481-D485 PolarHBondContact O-N 3.16Å; A481-Y486 PolarHBondContact O-N 3.41Å; A481-A489 HydrophobicContact CB-CB 4.37Å |
| 482 | L | 89.9 | Confident | 89.4 | Confident | 53 Ų | 53 | 34 Ų | 34 | 28% | 0.277 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -61.5 | -45.7 | 174.8 | -75 | 177.8 | 0 | 0 | 0 | 111.9 | H478 V479 A484 D485 S490 L520 | H478-L482 WeakPolarHBondContact NE2-CD1 3.34Å; H478-L482 PolarHBondContact O-N 2.81Å; V479-L482 PolarHBondContact O-N 3.42Å; L482-A484 VanDerWaalsContact C-N 3.29Å; L482-A484 PolarHBondContact O-N 2.74Å; L482-D485 WeakPolarHBondContact O-CA 3.07Å; L482-D485 PolarHBondContact O-N 3.45Å; L482-S490 WeakPolarHBondContact CD2-OG 3.46Å; L482-S490 VanDerWaalsContact CG-OG 3.23Å; L482-S490 WeakPolarHBondContact CG-OG 3.39Å; L482-L520 HydrophobicContact CD2-CD1 4.28Å; L482-L520 HydrophobicContact CD2-CD2 3.76Å |
| 483 | R | 87.6 | Confident | 89.6 | Confident | 138 Ų | 138 | 31.7 Ų | 31.7 | 52% | 0.521 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -70.8 | -23.6 | 179.2 | -67.9 | -175.3 | 179.8 | 148.2 | 4.9 | 113.7 | Y436 V479 A480 | Y436-R483 HydrophobicContact CD1-CB 3.89Å; Y436-R483 HydrophobicContact CD2-CB 3.51Å; Y436-R483 HydrophobicContact CD2-CG 4.48Å; Y436-R483 HydrophobicContact CE1-CB 4.15Å; Y436-R483 HydrophobicContact CE2-CB 3.78Å; Y436-R483 HydrophobicContact CE2-CG 4.27Å; Y436-R483 HydrophobicContact CG-CB 3.56Å; Y436-R483 VanDerWaalsContact OH-CD 3.29Å; Y436-R483 WeakPolarHBondContact OH-CD 3.28Å; Y436-R483 PolarHBondContact OH-NH1 3.25Å; V479-R483 WeakPolarHBondContact O-CG 3.42Å; V479-R483 PolarHBondContact O-N 3.44Å; A480-R483 PolarHBondContact O-N 3.26Å |
| 484 | A | 86.8 | Confident | 89.7 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -7.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | R433 R437 A480 A481 L482 Y486 | R433-A484 PolarHBondContact NE-O 2.73Å; R433-A484 PolarHBondContact NH2-O 2.76Å; R437-A484 HydrophobicContact CG-CB 3.83Å; A480-A484 WeakPolarHBondContact O-CB 3.44Å; A480-A484 PolarHBondContact O-N 2.82Å; A481-A484 PolarHBondContact O-N 2.91Å; L482-A484 VanDerWaalsContact C-N 3.29Å; L482-A484 PolarHBondContact O-N 2.74Å; A484-Y486 HydrophobicContact CB-CD2 3.57Å; A484-Y486 HydrophobicContact CB-CE2 3.76Å; A484-Y486 HydrophobicContact CB-CG 4.12Å |
| 485 | D | 87.3 | Confident | 89.7 | Confident | 90 Ų | 90 | 31.9 Ų | 31.9 | 48% | 0.481 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 54.6 | -169 | 171.7 | 49.2 | 0 | 0 | 0 | 111.3 | R433 A481 L482 | R433-D485 IonicContact CZ-OD2 3.92Å; R433-D485 IonicContact NE-OD2 3.79Å; R433-D485 IonicContact NH1-OD2 2.73Å; R433-D485 PolarHBondContact NH1-OD2 3.39Å; R433-D485 PolarHBondContact NH2-O 3.02Å; R433-D485 VanDerWaalsContact NH2-O 3.15Å; R433-D485 IonicContact NH2-OD2 3.21Å; R433-D485 PolarHBondContact NH2-OD2 3Å; A481-D485 PolarHBondContact O-N 3.16Å; L482-D485 WeakPolarHBondContact O-CA 3.07Å; L482-D485 PolarHBondContact O-N 3.45Å |
| 486 | Y | 89.2 | Confident | 89.5 | Confident | 53 Ų | 53 | 30 Ų | 30 | 21% | 0.208 | 14% | 0.138 | C | C | . | . | trans | -109.4 | 64.7 | 165.6 | -60.9 | -34.8 | 0 | 0 | 0 | 109 | R437 Y440 A481 A484 E488 A489 S490 I534 | R437-Y486 HydrophobicContact CG-CE2 4.09Å; R437-Y486 WeakPolarHBondContact CG-OH 3.12Å; Y440-Y486 HydrophobicContact CD1-CD2 4.18Å; Y440-Y486 HydrophobicContact CD1-CE2 4.21Å; Y440-Y486 HydrophobicContact CE1-CD2 4.37Å; A481-Y486 PolarHBondContact O-N 3.41Å; A484-Y486 HydrophobicContact CB-CD2 3.57Å; A484-Y486 HydrophobicContact CB-CE2 3.76Å; A484-Y486 HydrophobicContact CB-CG 4.12Å; Y486-E488 PolarHBondContact O-N 3.3Å; Y486-A489 WeakPolarHBondContact O-CB 3.2Å; Y486-A489 PolarHBondContact O-N 3.48Å; Y486-A489 VanDerWaalsContact O-N 3.11Å; Y486-S490 PolarHBondContact O-N 2.7Å; Y486-I534 HydrophobicContact CD1-CG2 3.74Å; Y486-I534 HydrophobicContact CD2-CG2 3.75Å; Y486-I534 HydrophobicContact CE1-CG2 3.67Å; Y486-I534 HydrophobicContact CE2-CG2 3.69Å; Y486-I534 HydrophobicContact CG-CG2 3.78Å | ||
| 487 | K | 88.1 | Confident | 89.5 | Confident | 85 Ų | 85 | 27.9 Ų | 27.9 | 37% | 0.37 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -54.9 | -46.1 | -173 | -168.5 | 178.2 | 178.2 | -173.6 | 0 | 113.3 | A489 S490 I491 L520 | K487-A489 VanDerWaalsContact C-N 3.33Å; K487-A489 PolarHBondContact O-N 2.86Å; K487-S490 WeakPolarHBondContact O-CB 3.15Å; K487-S490 PolarHBondContact O-N 3.11Å; K487-I491 HydrophobicContact CG-CD1 4.41Å; K487-I491 WeakPolarHBondContact O-CG1 3.34Å; K487-I491 PolarHBondContact O-N 2.88Å; K487-L520 WeakPolarHBondContact CE-O 3.11Å; K487-L520 HydrophobicContact CG-CD2 4.34Å; K487-L520 PolarHBondContact NZ-O 3.12Å |
| 488 | E | 87.4 | Confident | 89.4 | Confident | 70 Ų | 70 | 27.9 Ų | 27.9 | 33% | 0.327 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -67.2 | -32.9 | 179.6 | -161.5 | -170.1 | 146.1 | 0 | 0 | 112.7 | Y486 I491 R492 V526 L532 | Y486-E488 PolarHBondContact O-N 3.3Å; E488-I491 PolarHBondContact O-N 3.16Å; E488-R492 WeakPolarHBondContact O-CG 3.48Å; E488-R492 PolarHBondContact O-N 3.17Å; E488-R492 VanDerWaalsContact O-N 3.08Å; E488-R492 IonicContact OE1-CZ 3.02Å; E488-R492 IonicContact OE1-NE 2.95Å; E488-R492 IonicContact OE1-NH2 2.69Å; E488-R492 PolarHBondContact OE1-NH2 3.29Å; E488-V526 HydrophobicContact CG-CG1 4.15Å; E488-L532 HydrophobicContact CB-CD2 3.76Å; E488-L532 HydrophobicContact CG-CD2 3.85Å; E488-L532 WeakPolarHBondContact OE2-CD1 3.09Å |
| 489 | A | 87.3 | Confident | 89.1 | Confident | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.008 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -66.8 | -42.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | A481 Y486 K487 I491 R492 H493 L532 I534 L540 | A481-A489 HydrophobicContact CB-CB 4.37Å; Y486-A489 WeakPolarHBondContact O-CB 3.2Å; Y486-A489 PolarHBondContact O-N 3.48Å; Y486-A489 VanDerWaalsContact O-N 3.11Å; K487-A489 VanDerWaalsContact C-N 3.33Å; K487-A489 PolarHBondContact O-N 2.86Å; A489-I491 VanDerWaalsContact C-N 3.34Å; A489-I491 PolarHBondContact O-N 3Å; A489-R492 PolarHBondContact O-N 3.28Å; A489-H493 PolarHBondContact O-CD2 2.86Å; A489-H493 PolarHBondContact O-N 3.38Å; A489-L532 HydrophobicContact CB-CD2 4.29Å; A489-I534 HydrophobicContact CB-CD1 3.38Å; A489-I534 HydrophobicContact CB-CG1 4.19Å; A489-L540 HydrophobicContact CB-CD1 3.88Å |
| 490 | S | 91.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.3 | -44.8 | 174.3 | 157.3 | 0 | 0 | 0 | 0 | 112 | H478 L482 Y486 K487 R492 H493 L494 | H478-S490 PolarHBondContact CE1-OG 2.79Å; H478-S490 PolarHBondContact ND1-O 2.9Å; H478-S490 PolarHBondContact ND1-OG 2.83Å; L482-S490 WeakPolarHBondContact CD2-OG 3.46Å; L482-S490 VanDerWaalsContact CG-OG 3.23Å; L482-S490 WeakPolarHBondContact CG-OG 3.39Å; Y486-S490 PolarHBondContact O-N 2.7Å; K487-S490 WeakPolarHBondContact O-CB 3.15Å; K487-S490 PolarHBondContact O-N 3.11Å; S490-R492 VanDerWaalsContact C-N 3.34Å; S490-R492 PolarHBondContact O-N 3.32Å; S490-H493 PolarHBondContact O-N 3.35Å; S490-L494 WeakPolarHBondContact O-CB 3.06Å; S490-L494 PolarHBondContact O-N 2.9Å |
| 491 | I | 90.9 | Very high | 88.6 | Confident | 3 Ų | 3 | 29.8 Ų | 29.8 | 2% | 0.015 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.5 | -46.1 | 174.8 | -70.2 | 168.7 | 0 | 0 | 0 | 110.5 | K487 E488 A489 H493 L494 L495 L517 L520 V526 V667 | K487-I491 HydrophobicContact CG-CD1 4.41Å; K487-I491 WeakPolarHBondContact O-CG1 3.34Å; K487-I491 PolarHBondContact O-N 2.88Å; E488-I491 PolarHBondContact O-N 3.16Å; A489-I491 VanDerWaalsContact C-N 3.34Å; A489-I491 PolarHBondContact O-N 3Å; I491-H493 PolarHBondContact O-N 2.78Å; I491-L494 PolarHBondContact O-N 2.94Å; I491-L495 WeakPolarHBondContact O-CB 3.33Å; I491-L495 PolarHBondContact O-N 3.28Å; I491-L517 HydrophobicContact CB-CD1 4.42Å; I491-L517 HydrophobicContact CG2-CD1 3.86Å; I491-L520 HydrophobicContact CD1-CB 4.27Å; I491-L520 HydrophobicContact CG1-CB 4.02Å; I491-L520 HydrophobicContact CG1-CD1 4.29Å; I491-V526 HydrophobicContact CD1-CG2 3.96Å; I491-V667 HydrophobicContact CG2-CG2 4.4Å |
| 492 | R | 89.9 | Confident | 88.3 | Confident | 6 Ų | 6 | 32.1 Ų | 32.1 | 2% | 0.023 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64 | -40.5 | 179.1 | -71.6 | -179.6 | -171.4 | -126.5 | -3.2 | 113.3 | E488 A489 S490 F496 V528 K530 L540 P541 I543 | E488-R492 WeakPolarHBondContact O-CG 3.48Å; E488-R492 PolarHBondContact O-N 3.17Å; E488-R492 VanDerWaalsContact O-N 3.08Å; E488-R492 IonicContact OE1-CZ 3.02Å; E488-R492 IonicContact OE1-NE 2.95Å; E488-R492 IonicContact OE1-NH2 2.69Å; E488-R492 PolarHBondContact OE1-NH2 3.29Å; A489-R492 PolarHBondContact O-N 3.28Å; S490-R492 VanDerWaalsContact C-N 3.34Å; S490-R492 PolarHBondContact O-N 3.32Å; R492-F496 VanDerWaalsContact O-CB 3.28Å; R492-F496 WeakPolarHBondContact O-CB 3.33Å; R492-F496 PolarHBondContact O-N 3.03Å; R492-V528 HydrophobicContact CG-CG1 4.48Å; R492-K530 PolarHBondContact NH1-O 2.83Å; R492-K530 PolarHBondContact NH2-O 3.06Å; R492-L540 HydrophobicContact CB-CD1 4.28Å; R492-P541 PolarHBondContact NH1-O 2.89Å; R492-I543 HydrophobicContact CB-CD1 3.97Å; R492-I543 HydrophobicContact CG-CD1 4.25Å; R492-I543 WeakPolarHBondContact O-CD1 3.47Å |
| 493 | H | 91.4 | Very high | 87.9 | Confident | 10 Ų | 10 | 32.9 Ų | 32.9 | 5% | 0.046 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68.4 | -41.3 | 177.9 | -69.2 | -53.8 | 0 | 0 | 0 | 112.4 | Y440 I477 H478 A489 S490 I491 F496 L497 | Y440-H493 AromaticContact CE2-NE2 3.61Å; Y440-H493 AromaticContact CZ-NE2 3.64Å; Y440-H493 PolarHBondContact OH-NE2 2.81Å; I477-H493 HydrophobicContact CG2-CB 4.45Å; I477-H493 VanDerWaalsContact CG2-CD2 3.42Å; I477-H493 WeakPolarHBondContact CG2-CD2 3.22Å; I477-H493 WeakPolarHBondContact CG2-NE2 3.35Å; H478-H493 HydrophobicContact CB-CB 4.44Å; A489-H493 PolarHBondContact O-CD2 2.86Å; A489-H493 PolarHBondContact O-N 3.38Å; S490-H493 PolarHBondContact O-N 3.35Å; I491-H493 PolarHBondContact O-N 2.78Å; H493-F496 PolarHBondContact O-N 3.42Å; H493-L497 WeakPolarHBondContact O-CB 3.08Å; H493-L497 PolarHBondContact O-N 2.89Å |
| 494 | L | 91.4 | Very high | 87.6 | Confident | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.8 | -42.8 | 176.3 | -169.4 | 59.6 | 0 | 0 | 0 | 111 | S490 I491 F496 L497 L498 Y513 E516 L517 | S490-L494 WeakPolarHBondContact O-CB 3.06Å; S490-L494 PolarHBondContact O-N 2.9Å; I491-L494 PolarHBondContact O-N 2.94Å; L494-F496 PolarHBondContact O-N 3.44Å; L494-L497 WeakPolarHBondContact O-CB 3.09Å; L494-L497 PolarHBondContact O-N 3.14Å; L494-L498 WeakPolarHBondContact O-CG 2.95Å; L494-L498 PolarHBondContact O-N 2.95Å; L494-Y513 HydrophobicContact CD1-CD1 3.51Å; L494-Y513 HydrophobicContact CD1-CE1 4.32Å; L494-Y513 HydrophobicContact CD1-CG 3.81Å; L494-E516 HydrophobicContact CD2-CB 4.28Å; L494-E516 HydrophobicContact CD2-CG 4.24Å; L494-L517 HydrophobicContact CD2-CB 3.7Å; L494-L517 HydrophobicContact CD2-CD1 4.24Å; L494-L517 HydrophobicContact CG-CB 4.34Å |
| 495 | L | 90.1 | Very high | 87.4 | Confident | 4 Ų | 4 | 28.6 Ų | 28.6 | 2% | 0.021 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.9 | -42.6 | 173.7 | -177.2 | 65 | 0 | 0 | 0 | 111.8 | I491 L497 L498 Q499 L517 V528 I543 I545 V667 | I491-L495 WeakPolarHBondContact O-CB 3.33Å; I491-L495 PolarHBondContact O-N 3.28Å; L495-L497 VanDerWaalsContact C-N 3.32Å; L495-L497 PolarHBondContact O-N 3.46Å; L495-L498 PolarHBondContact O-N 2.81Å; L495-Q499 WeakPolarHBondContact O-CB 3.47Å; L495-Q499 PolarHBondContact O-N 3.38Å; L495-L517 HydrophobicContact CD1-CD2 4.28Å; L495-V528 HydrophobicContact CD2-CB 4.28Å; L495-V528 HydrophobicContact CD2-CG1 4.13Å; L495-V528 HydrophobicContact CD2-CG2 3.81Å; L495-I543 HydrophobicContact CD2-CB 4.3Å; L495-I543 HydrophobicContact CD2-CD1 4.43Å; L495-I543 HydrophobicContact CD2-CG2 3.84Å; L495-I543 HydrophobicContact CG-CG2 4.3Å; L495-I545 HydrophobicContact CD1-CD1 3.67Å; L495-I545 HydrophobicContact CD1-CG1 3.97Å; L495-I545 HydrophobicContact CD2-CD1 4.11Å; L495-I545 HydrophobicContact CD2-CG1 4.05Å; L495-I545 HydrophobicContact CG-CD1 4.49Å; L495-I545 HydrophobicContact CG-CG1 4.44Å; L495-V667 HydrophobicContact CD2-CG1 4.18Å |
| 496 | F | 88.9 | Confident | 86.9 | Confident | 32 Ų | 32 | 26.1 Ų | 26.1 | 14% | 0.14 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.2 | -40.6 | 176.2 | -178.7 | -90.8 | 0 | 0 | 0 | 111.9 | I454 L474 R492 H493 L494 N500 | I454-F496 HydrophobicContact CG2-CZ 4.35Å; L474-F496 HydrophobicContact CD1-CD1 3.89Å; L474-F496 HydrophobicContact CD1-CE1 4.15Å; L474-F496 HydrophobicContact CD2-CD1 3.86Å; L474-F496 HydrophobicContact CD2-CE1 4.4Å; R492-F496 VanDerWaalsContact O-CB 3.28Å; R492-F496 WeakPolarHBondContact O-CB 3.33Å; R492-F496 PolarHBondContact O-N 3.03Å; H493-F496 PolarHBondContact O-N 3.42Å; L494-F496 PolarHBondContact O-N 3.44Å; F496-N500 WeakPolarHBondContact CD2-ND2 3.41Å; F496-N500 WeakPolarHBondContact CE2-ND2 3.47Å; F496-N500 WeakPolarHBondContact O-CB 3.49Å; F496-N500 PolarHBondContact O-N 2.88Å; F496-N500 VanDerWaalsContact O-N 3.16Å; F496-N500 PolarHBondContact O-ND2 2.93Å |
| 497 | L | 89.3 | Confident | 86.4 | Confident | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.7 | -48 | 174.4 | 175.7 | 151.6 | 0 | 0 | 0 | 111.2 | V471 L474 H493 L494 L495 L501 L505 Y513 | V471-L497 HydrophobicContact CG1-CD1 4.27Å; L474-L497 HydrophobicContact CB-CB 4.38Å; L474-L497 HydrophobicContact CB-CD1 3.84Å; L474-L497 HydrophobicContact CD1-CB 4.04Å; H493-L497 WeakPolarHBondContact O-CB 3.08Å; H493-L497 PolarHBondContact O-N 2.89Å; L494-L497 WeakPolarHBondContact O-CB 3.09Å; L494-L497 PolarHBondContact O-N 3.14Å; L495-L497 VanDerWaalsContact C-N 3.32Å; L495-L497 PolarHBondContact O-N 3.46Å; L497-L501 WeakPolarHBondContact O-CA 3.48Å; L497-L501 WeakPolarHBondContact O-CB 3.32Å; L497-L501 PolarHBondContact O-N 2.86Å; L497-L505 HydrophobicContact CD2-CD1 3.48Å; L497-L505 VanDerWaalsContact CD2-CD1 3.48Å; L497-L505 HydrophobicContact CD2-CD2 4.01Å; L497-L505 HydrophobicContact CD2-CG 4.32Å; L497-Y513 HydrophobicContact CD1-CE2 4.35Å; L497-Y513 HydrophobicContact CD2-CD2 3.7Å; L497-Y513 HydrophobicContact CD2-CE2 4.05Å; L497-Y513 HydrophobicContact CD2-CG 4.22Å |
| 498 | L | 89.3 | Confident | 86.1 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.2 | -48.6 | 179.5 | -67.9 | 173.7 | 0 | 0 | 0 | 111.5 | L494 L495 N500 Y502 L505 L510 L517 L548 L665 | L494-L498 WeakPolarHBondContact O-CG 2.95Å; L494-L498 PolarHBondContact O-N 2.95Å; L495-L498 PolarHBondContact O-N 2.81Å; L498-N500 VanDerWaalsContact C-N 3.33Å; L498-N500 PolarHBondContact O-N 2.84Å; L498-Y502 VanDerWaalsContact O-CB 3.23Å; L498-Y502 WeakPolarHBondContact O-CB 3.28Å; L498-Y502 PolarHBondContact O-N 2.91Å; L498-L505 HydrophobicContact CD2-CD1 4Å; L498-L510 HydrophobicContact CD2-CD1 3.55Å; L498-L517 HydrophobicContact CD1-CD2 3.76Å; L498-L548 HydrophobicContact CB-CD1 3.93Å; L498-L665 HydrophobicContact CD1-CD1 4.26Å |
| 499 | Q | 86.3 | Confident | 86 | Confident | 7 Ų | 7 | 25.7 Ų | 25.7 | 3% | 0.033 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62 | -36.2 | -176.9 | 174.6 | 63.6 | 19.3 | 0 | 0 | 113.4 | L495 T546 N547 | L495-Q499 WeakPolarHBondContact O-CB 3.47Å; L495-Q499 PolarHBondContact O-N 3.38Å; Q499-T546 PolarHBondContact NE2-OG1 3.16Å; Q499-N547 PolarHBondContact NE2-ND2 3.38Å; Q499-N547 PolarHBondContact O-ND2 3.34Å; Q499-N547 VanDerWaalsContact OE1-N 3.08Å |
| 500 | N | 84.7 | Confident | 86 | Confident | 57 Ų | 57 | 26 Ų | 26 | 31% | 0.305 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -109.1 | -26.5 | -171.9 | -61.3 | -61.6 | 0 | 0 | 0 | 114.7 | I454 F496 L498 | I454-N500 HydrophobicContact CG2-CB 4.07Å; F496-N500 WeakPolarHBondContact CD2-ND2 3.41Å; F496-N500 WeakPolarHBondContact CE2-ND2 3.47Å; F496-N500 WeakPolarHBondContact O-CB 3.49Å; F496-N500 PolarHBondContact O-N 2.88Å; F496-N500 VanDerWaalsContact O-N 3.16Å; F496-N500 PolarHBondContact O-ND2 2.93Å; L498-N500 VanDerWaalsContact C-N 3.33Å; L498-N500 PolarHBondContact O-N 2.84Å |
| 501 | L | 84.9 | Confident | 85.8 | Confident | 11 Ų | 11 | 31.4 Ų | 31.4 | 6% | 0.058 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -116.5 | 9.5 | -175.5 | -60.3 | 174.4 | 0 | 0 | 0 | 113.6 | Q470 V471 L474 L497 A503 S504 L505 | Q470-L501 HydrophobicContact CB-CD1 3.83Å; V471-L501 HydrophobicContact CG2-CB 4.35Å; V471-L501 HydrophobicContact CG2-CD1 3.94Å; L474-L501 HydrophobicContact CD1-CD1 3.69Å; L497-L501 WeakPolarHBondContact O-CA 3.48Å; L497-L501 WeakPolarHBondContact O-CB 3.32Å; L497-L501 PolarHBondContact O-N 2.86Å; L501-A503 PolarHBondContact O-N 2.84Å; L501-A503 VanDerWaalsContact O-N 3.1Å; L501-S504 WeakPolarHBondContact O-CA 3.25Å; L501-S504 WeakPolarHBondContact O-CB 3.19Å; L501-S504 PolarHBondContact O-N 2.9Å; L501-L505 PolarHBondContact O-N 3.37Å |
| 502 | Y | 83.7 | Confident | 85.7 | Confident | 49 Ų | 49 | 36.4 Ų | 36.4 | 19% | 0.192 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -48 | -42.9 | 179.5 | 66 | -86.3 | 0 | 0 | 0 | 113.4 | L498 S504 L505 N547 P607 T608 | L498-Y502 VanDerWaalsContact O-CB 3.23Å; L498-Y502 WeakPolarHBondContact O-CB 3.28Å; L498-Y502 PolarHBondContact O-N 2.91Å; Y502-S504 PolarHBondContact O-N 3.3Å; Y502-L505 PolarHBondContact O-N 2.77Å; Y502-L505 VanDerWaalsContact O-N 3.16Å; Y502-N547 HydrophobicContact CE1-CB 4.14Å; Y502-P607 HydrophobicContact CD2-CG 4.33Å; Y502-P607 HydrophobicContact CE1-CG 4.48Å; Y502-P607 HydrophobicContact CE2-CB 3.67Å; Y502-P607 HydrophobicContact CE2-CG 3.69Å; Y502-T608 HydrophobicContact CD2-CG2 4.02Å; Y502-T608 HydrophobicContact CG-CG2 4.22Å |
| 503 | A | 79.7 | Confident | 85.8 | Confident | 69 Ų | 69 | 37.1 Ų | 37.1 | 57% | 0.57 | 20% | 0.199 | S | C | * | . | G | 310 helix | trans | -65.4 | -22.5 | -179 | 0 | 0 | 0 | 0 | 0 | 113.3 | L501 | L501-A503 PolarHBondContact O-N 2.84Å; L501-A503 VanDerWaalsContact O-N 3.1Å |
| 504 | S | 81.5 | Confident | 85.6 | Confident | 35 Ų | 35 | 37.5 Ų | 37.5 | 25% | 0.245 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -91.8 | -16.7 | 178.6 | -59.4 | 0 | 0 | 0 | 0 | 112.9 | P467 L501 Y502 K1709 | P467-S504 VanDerWaalsContact CB-CB 3.5Å; P467-S504 VanDerWaalsContact CB-OG 3.27Å; P467-S504 WeakPolarHBondContact CB-OG 3.01Å; L501-S504 WeakPolarHBondContact O-CA 3.25Å; L501-S504 WeakPolarHBondContact O-CB 3.19Å; L501-S504 PolarHBondContact O-N 2.9Å; Y502-S504 PolarHBondContact O-N 3.3Å; S504-K1709 PolarHBondContact O-NZ 2.93Å |
| 505 | L | 83.2 | Confident | 85.5 | Confident | 13 Ų | 13 | 39.1 Ų | 39.1 | 7% | 0.068 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -75.3 | 149.4 | 179.2 | -63.8 | 169.7 | 0 | 0 | 0 | 111.5 | V471 L497 L498 L501 Y502 L510 Y513 K1709 | V471-L505 HydrophobicContact CG1-CD2 3.82Å; V471-L505 HydrophobicContact CG2-CD2 3.8Å; L497-L505 HydrophobicContact CD2-CD1 3.48Å; L497-L505 VanDerWaalsContact CD2-CD1 3.48Å; L497-L505 HydrophobicContact CD2-CD2 4.01Å; L497-L505 HydrophobicContact CD2-CG 4.32Å; L498-L505 HydrophobicContact CD2-CD1 4Å; L501-L505 PolarHBondContact O-N 3.37Å; Y502-L505 PolarHBondContact O-N 2.77Å; Y502-L505 VanDerWaalsContact O-N 3.16Å; L505-L510 HydrophobicContact CB-CB 4.27Å; L505-L510 HydrophobicContact CD1-CD1 3.97Å; L505-Y513 HydrophobicContact CD1-CD2 4.31Å; L505-Y513 HydrophobicContact CD2-CD2 4.16Å; L505-Y513 HydrophobicContact CD2-CE2 3.92Å; L505-K1709 PolarHBondContact O-NZ 3.05Å |
| 506 | E | 77.3 | Confident | 85.5 | Confident | 38 Ų | 38 | 42 Ų | 42 | 18% | 0.178 | 23% | 0.233 | C | C | . | . | trans | -80.1 | 148.9 | 168.7 | -62.8 | -174 | 164.9 | 0 | 0 | 109.7 | L508 N509 L510 K1709 | E506-L508 PolarHBondContact O-N 3.27Å; E506-N509 PolarHBondContact O-N 3.01Å; E506-N509 VanDerWaalsContact O-N 3.1Å; E506-L510 WeakPolarHBondContact O-CB 3.47Å; E506-L510 PolarHBondContact O-N 3.45Å; E506-K1709 HydrophobicContact CG-CD 4.11Å | ||
| 507 | P | 77.7 | Confident | 85.6 | Confident | 74 Ų | 74 | 40.5 Ų | 40.5 | 48% | 0.481 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -55.1 | -37.2 | -176.9 | -28.1 | 35.6 | 0 | 0 | 0 | 114 | H511 | P507-H511 WeakPolarHBondContact O-CB 3.19Å; P507-H511 PolarHBondContact O-N 2.95Å |
| 508 | L | 82.9 | Confident | 85.5 | Confident | 84 Ų | 84 | 42.5 Ų | 42.5 | 44% | 0.44 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.1 | -49.7 | 176.4 | -177.3 | 65.5 | 0 | 0 | 0 | 111.6 | E506 L510 H511 Q512 | E506-L508 PolarHBondContact O-N 3.27Å; L508-L510 VanDerWaalsContact C-N 3.3Å; L508-L510 PolarHBondContact O-N 3.32Å; L508-H511 PolarHBondContact O-N 3.04Å; L508-H511 VanDerWaalsContact O-N 3.15Å; L508-Q512 WeakPolarHBondContact O-CG 3.35Å; L508-Q512 PolarHBondContact O-N 3.11Å |
| 509 | N | 85.1 | Confident | 85.5 | Confident | 41 Ų | 41 | 48.4 Ų | 48.4 | 22% | 0.219 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.7 | -38.1 | 178.1 | -64.9 | -11.7 | 0 | 0 | 0 | 111.1 | E506 H511 Q512 Y513 | E506-N509 PolarHBondContact O-N 3.01Å; E506-N509 VanDerWaalsContact O-N 3.1Å; N509-H511 VanDerWaalsContact C-N 3.33Å; N509-H511 PolarHBondContact O-N 3.14Å; N509-Q512 PolarHBondContact O-N 2.97Å; N509-Y513 HydrophobicContact CB-CD2 4.37Å; N509-Y513 HydrophobicContact CB-CE2 4.12Å; N509-Y513 WeakPolarHBondContact O-CB 3.16Å; N509-Y513 WeakPolarHBondContact O-CD2 3.16Å; N509-Y513 VanDerWaalsContact O-CG 3.28Å; N509-Y513 PolarHBondContact O-N 3.15Å |
| 510 | L | 87.5 | Confident | 85.6 | Confident | 7 Ų | 7 | 49.3 Ų | 49.3 | 4% | 0.037 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.9 | -44.9 | 173.1 | -179.9 | 69.3 | 0 | 0 | 0 | 110.7 | L498 L505 E506 L508 Y513 C514 T608 I610 | L498-L510 HydrophobicContact CD2-CD1 3.55Å; L505-L510 HydrophobicContact CB-CB 4.27Å; L505-L510 HydrophobicContact CD1-CD1 3.97Å; E506-L510 WeakPolarHBondContact O-CB 3.47Å; E506-L510 PolarHBondContact O-N 3.45Å; L508-L510 VanDerWaalsContact C-N 3.3Å; L508-L510 PolarHBondContact O-N 3.32Å; L510-Y513 PolarHBondContact O-N 2.89Å; L510-C514 VanDerWaalsContact O-CB 3.3Å; L510-C514 WeakPolarHBondContact O-CB 3.3Å; L510-C514 PolarHBondContact O-N 3.34Å; L510-C514 PolarHBondContact O-SG 2.92Å; L510-T608 HydrophobicContact CD2-CG2 4.33Å; L510-I610 HydrophobicContact CB-CD1 4.25Å; L510-I610 HydrophobicContact CD2-CD1 3.89Å; L510-I610 HydrophobicContact CD2-CG1 4.01Å; L510-I610 HydrophobicContact CG-CD1 3.74Å; L510-I610 HydrophobicContact CG-CG1 4.42Å |
| 511 | H | 85.5 | Confident | 85.7 | Confident | 115 Ų | 115 | 46.9 Ų | 46.9 | 53% | 0.532 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.3 | -43 | 177.9 | -171 | 47.4 | 0 | 0 | 0 | 112 | P507 L508 N509 C514 G515 I610 | P507-H511 WeakPolarHBondContact O-CB 3.19Å; P507-H511 PolarHBondContact O-N 2.95Å; L508-H511 PolarHBondContact O-N 3.04Å; L508-H511 VanDerWaalsContact O-N 3.15Å; N509-H511 VanDerWaalsContact C-N 3.33Å; N509-H511 PolarHBondContact O-N 3.14Å; H511-C514 PolarHBondContact O-N 2.91Å; H511-G515 PolarHBondContact O-N 3.15Å; H511-I610 HydrophobicContact CB-CD1 3.64Å |
| 512 | Q | 88.7 | Confident | 85.5 | Confident | 107 Ų | 107 | 49.9 Ų | 49.9 | 50% | 0.5 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.9 | -49 | 175.2 | -73.5 | 177.4 | -12.1 | 0 | 0 | 111.7 | L508 N509 G515 E516 | L508-Q512 WeakPolarHBondContact O-CG 3.35Å; L508-Q512 PolarHBondContact O-N 3.11Å; N509-Q512 PolarHBondContact O-N 2.97Å; Q512-G515 PolarHBondContact O-N 2.73Å; Q512-E516 WeakPolarHBondContact O-CB 2.83Å; Q512-E516 PolarHBondContact O-N 3.03Å |
| 513 | Y | 92.1 | Very high | 85.2 | Confident | 21 Ų | 21 | 54.8 Ų | 54.8 | 8% | 0.082 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.4 | -37.6 | 178.7 | -69.4 | -41.4 | 0 | 0 | 0 | 112.8 | H475 L494 L497 L505 N509 L510 L517 | H475-Y513 AromaticContact ND1-CE1 3.61Å; H475-Y513 AromaticContact ND1-CZ 3.97Å; H475-Y513 PolarHBondContact ND1-OH 2.99Å; L494-Y513 HydrophobicContact CD1-CD1 3.51Å; L494-Y513 HydrophobicContact CD1-CE1 4.32Å; L494-Y513 HydrophobicContact CD1-CG 3.81Å; L497-Y513 HydrophobicContact CD1-CE2 4.35Å; L497-Y513 HydrophobicContact CD2-CD2 3.7Å; L497-Y513 HydrophobicContact CD2-CE2 4.05Å; L497-Y513 HydrophobicContact CD2-CG 4.22Å; L505-Y513 HydrophobicContact CD1-CD2 4.31Å; L505-Y513 HydrophobicContact CD2-CD2 4.16Å; L505-Y513 HydrophobicContact CD2-CE2 3.92Å; N509-Y513 HydrophobicContact CB-CD2 4.37Å; N509-Y513 HydrophobicContact CB-CE2 4.12Å; N509-Y513 WeakPolarHBondContact O-CB 3.16Å; N509-Y513 WeakPolarHBondContact O-CD2 3.16Å; N509-Y513 VanDerWaalsContact O-CG 3.28Å; N509-Y513 PolarHBondContact O-N 3.15Å; L510-Y513 PolarHBondContact O-N 2.89Å; Y513-L517 VanDerWaalsContact O-CB 3.31Å; Y513-L517 WeakPolarHBondContact O-CB 3.4Å; Y513-L517 PolarHBondContact O-N 3.34Å |
| 514 | C | 88.7 | Confident | 85 | Confident | 18 Ų | 18 | 57.5 Ų | 57.5 | 12% | 0.122 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.9 | -40.7 | 172.6 | -73.3 | 0 | 0 | 0 | 0 | 111.8 | L510 H511 S518 L665 | L510-C514 VanDerWaalsContact O-CB 3.3Å; L510-C514 WeakPolarHBondContact O-CB 3.3Å; L510-C514 PolarHBondContact O-N 3.34Å; L510-C514 PolarHBondContact O-SG 2.92Å; H511-C514 PolarHBondContact O-N 2.91Å; C514-S518 WeakPolarHBondContact O-CB 3.28Å; C514-S518 PolarHBondContact O-N 3.19Å; C514-S518 PolarHBondContact O-OG 3.3Å; C514-L665 HydrophobicContact CB-CD1 4.43Å; C514-L665 HydrophobicContact CB-CD2 4.06Å |
| 515 | G | 87.9 | Confident | 84.9 | Confident | 37 Ų | 37 | 58.9 Ų | 58.9 | 38% | 0.381 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.4 | -43.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | H511 Q512 S518 L519 | H511-G515 PolarHBondContact O-N 3.15Å; Q512-G515 PolarHBondContact O-N 2.73Å; G515-S518 PolarHBondContact O-N 3.38Å; G515-L519 WeakPolarHBondContact O-CB 3.46Å; G515-L519 PolarHBondContact O-N 2.87Å |
| 516 | E | 91.1 | Very high | 85 | Confident | 64 Ų | 64 | 59.7 Ų | 59.7 | 30% | 0.299 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 176.6 | -174.9 | 167.4 | -154.2 | 0 | 0 | 111.6 | H478 L494 Q512 L519 L520 | H478-E516 IonicContact NE2-OE1 2.71Å; H478-E516 PolarHBondContact NE2-OE1 3.46Å; H478-E516 IonicContact NE2-OE2 3.59Å; L494-E516 HydrophobicContact CD2-CB 4.28Å; L494-E516 HydrophobicContact CD2-CG 4.24Å; Q512-E516 WeakPolarHBondContact O-CB 2.83Å; Q512-E516 PolarHBondContact O-N 3.03Å; E516-L519 PolarHBondContact O-N 3.26Å; E516-L520 HydrophobicContact CG-CD1 4.32Å; E516-L520 WeakPolarHBondContact O-CB 3.34Å; E516-L520 VanDerWaalsContact O-CG 3.3Å; E516-L520 WeakPolarHBondContact O-CG 3.48Å; E516-L520 PolarHBondContact O-N 3.41Å |
| 517 | L | 90.6 | Very high | 85.3 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.3 | -47 | 173.4 | -175.6 | 60.6 | 0 | 0 | 0 | 111.3 | I491 L494 L495 L498 Y513 L519 L520 C521 L665 V667 | I491-L517 HydrophobicContact CB-CD1 4.42Å; I491-L517 HydrophobicContact CG2-CD1 3.86Å; L494-L517 HydrophobicContact CD2-CB 3.7Å; L494-L517 HydrophobicContact CD2-CD1 4.24Å; L494-L517 HydrophobicContact CG-CB 4.34Å; L495-L517 HydrophobicContact CD1-CD2 4.28Å; L498-L517 HydrophobicContact CD1-CD2 3.76Å; Y513-L517 VanDerWaalsContact O-CB 3.31Å; Y513-L517 WeakPolarHBondContact O-CB 3.4Å; Y513-L517 PolarHBondContact O-N 3.34Å; L517-L519 VanDerWaalsContact C-N 3.32Å; L517-L519 PolarHBondContact O-N 3.17Å; L517-L520 PolarHBondContact O-N 3.38Å; L517-C521 PolarHBondContact O-N 3.43Å; L517-L665 HydrophobicContact CD2-CB 3.95Å; L517-L665 HydrophobicContact CD2-CD1 4.02Å; L517-L665 HydrophobicContact CG-CB 4.29Å; L517-V667 HydrophobicContact CD1-CG2 4.17Å; L517-V667 HydrophobicContact CD2-CG2 4.27Å; L517-V667 HydrophobicContact CG-CG2 4.3Å |
| 518 | S | 88 | Confident | 85.5 | Confident | 45 Ų | 45 | 56.5 Ų | 56.5 | 32% | 0.315 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.7 | -39 | 178.1 | -56.4 | 0 | 0 | 0 | 0 | 111.9 | C514 G515 C521 S522 | C514-S518 WeakPolarHBondContact O-CB 3.28Å; C514-S518 PolarHBondContact O-N 3.19Å; C514-S518 PolarHBondContact O-OG 3.3Å; G515-S518 PolarHBondContact O-N 3.38Å; S518-C521 CarbonylContact O-C 3.6Å; S518-C521 PolarHBondContact O-N 3.49Å; S518-S522 PolarHBondContact O-N 3.33Å |
| 519 | L | 89.1 | Confident | 85.3 | Confident | 124 Ų | 124 | 55.5 Ų | 55.5 | 65% | 0.649 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -65.9 | -44.3 | 176.1 | -178.6 | 65.2 | 0 | 0 | 0 | 111.4 | G515 E516 L517 C521 S522 | G515-L519 WeakPolarHBondContact O-CB 3.46Å; G515-L519 PolarHBondContact O-N 2.87Å; E516-L519 PolarHBondContact O-N 3.26Å; L517-L519 VanDerWaalsContact C-N 3.32Å; L517-L519 PolarHBondContact O-N 3.17Å; L519-C521 PolarHBondContact O-N 3.36Å; L519-S522 VanDerWaalsContact O-CB 3.32Å; L519-S522 WeakPolarHBondContact O-CB 3.48Å; L519-S522 PolarHBondContact O-N 2.92Å; L519-S522 PolarHBondContact O-OG 3.05Å |
| 520 | L | 86.9 | Confident | 85.1 | Confident | 27 Ų | 27 | 60.7 Ų | 60.7 | 14% | 0.141 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62 | -34.5 | 177.5 | -73.1 | 171.6 | 0 | 0 | 0 | 112.1 | L482 K487 I491 E516 L517 | L482-L520 HydrophobicContact CD2-CD1 4.28Å; L482-L520 HydrophobicContact CD2-CD2 3.76Å; K487-L520 WeakPolarHBondContact CE-O 3.11Å; K487-L520 HydrophobicContact CG-CD2 4.34Å; K487-L520 PolarHBondContact NZ-O 3.12Å; I491-L520 HydrophobicContact CD1-CB 4.27Å; I491-L520 HydrophobicContact CG1-CB 4.02Å; I491-L520 HydrophobicContact CG1-CD1 4.29Å; E516-L520 HydrophobicContact CG-CD1 4.32Å; E516-L520 WeakPolarHBondContact O-CB 3.34Å; E516-L520 VanDerWaalsContact O-CG 3.3Å; E516-L520 WeakPolarHBondContact O-CG 3.48Å; E516-L520 PolarHBondContact O-N 3.41Å; L517-L520 PolarHBondContact O-N 3.38Å |
| 521 | C | 87.5 | Confident | 84.9 | Confident | 5 Ų | 5 | 64.2 Ų | 64.2 | 3% | 0.034 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 0.5 | 178.4 | -66.8 | 0 | 0 | 0 | 0 | 114.7 | L517 S518 L519 H523 N524 G666 | L517-C521 PolarHBondContact O-N 3.43Å; S518-C521 CarbonylContact O-C 3.6Å; S518-C521 PolarHBondContact O-N 3.49Å; L519-C521 PolarHBondContact O-N 3.36Å; C521-H523 VanDerWaalsContact C-N 3.32Å; C521-H523 PolarHBondContact O-N 2.92Å; C521-N524 CarbonylContact O-C 3.51Å; C521-N524 PolarHBondContact O-N 2.82Å; C521-N524 VanDerWaalsContact O-O 3.07Å; C521-G666 WeakPolarHBondContact CB-O 3.19Å |
| 522 | S | 81.2 | Confident | 84.8 | Confident | 74 Ų | 74 | 60 Ų | 60 | 52% | 0.517 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -35.7 | -173.2 | 56.4 | 0 | 0 | 0 | 0 | 114.8 | S518 L519 | S518-S522 PolarHBondContact O-N 3.33Å; L519-S522 VanDerWaalsContact O-CB 3.32Å; L519-S522 WeakPolarHBondContact O-CB 3.48Å; L519-S522 PolarHBondContact O-N 2.92Å; L519-S522 PolarHBondContact O-OG 3.05Å |
| 523 | H | 76.6 | Confident | 84.5 | Confident | 153 Ų | 153 | 61.4 Ų | 61.4 | 71% | 0.708 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -30.9 | -176.9 | -70.3 | -73.7 | 0 | 0 | 0 | 114.1 | C521 | C521-H523 VanDerWaalsContact C-N 3.32Å; C521-H523 PolarHBondContact O-N 2.92Å |
| 524 | N | 76.9 | Confident | 83.7 | Confident | 126 Ų | 126 | 62 Ų | 62 | 67% | 0.674 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -162.6 | 136.1 | 179 | -89.3 | -35.5 | 0 | 0 | 0 | 109.7 | C521 V526 | C521-N524 CarbonylContact O-C 3.51Å; C521-N524 PolarHBondContact O-N 2.82Å; C521-N524 VanDerWaalsContact O-O 3.07Å; N524-V526 PolarHBondContact O-N 2.84Å |
| 525 | P | 77.7 | Confident | 82.7 | Confident | 63 Ų | 63 | 62.8 Ų | 62.8 | 41% | 0.409 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -59 | 132.1 | 174.5 | -21.3 | 31.8 | 0 | 0 | 0 | 111.6 | G666 I668 | P525-G666 VanDerWaalsContact CA-O 3.27Å; P525-G666 WeakPolarHBondContact CA-O 3.03Å; P525-I668 HydrophobicContact CB-CD1 3.67Å; P525-I668 HydrophobicContact CB-CG1 3.72Å |
| 526 | V | 85.5 | Confident | 81.4 | Confident | 30 Ų | 30 | 67 Ų | 67 | 18% | 0.182 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 123.9 | -175.9 | -178.6 | 0 | 0 | 0 | 0 | 110.4 | E488 I491 N524 V528 G666 V667 I668 | E488-V526 HydrophobicContact CG-CG1 4.15Å; I491-V526 HydrophobicContact CD1-CG2 3.96Å; N524-V526 PolarHBondContact O-N 2.84Å; V526-V528 HydrophobicContact CG1-CG1 4.45Å; V526-G666 PolarHBondContact N-O 2.8Å; V526-G666 VanDerWaalsContact N-O 3.11Å; V526-V667 WeakPolarHBondContact O-CA 3.39Å; V526-V667 WeakPolarHBondContact O-CG1 3.43Å; V526-I668 PolarHBondContact O-N 2.96Å |
| 527 | A | 83.8 | Confident | 80 | Confident | 46 Ų | 46 | 67.9 Ų | 67.9 | 38% | 0.38 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 119 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | I668 | A527-I668 HydrophobicContact CB-CB 4.37Å |
| 528 | V | 81.7 | Confident | 79.2 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 40% | 0.398 | C | S | . | . | trans | -103 | 6.9 | -173.2 | -67.7 | 0 | 0 | 0 | 0 | 114.2 | R492 L495 V526 K530 I543 V667 | R492-V528 HydrophobicContact CG-CG1 4.48Å; L495-V528 HydrophobicContact CD2-CB 4.28Å; L495-V528 HydrophobicContact CD2-CG1 4.13Å; L495-V528 HydrophobicContact CD2-CG2 3.81Å; V526-V528 HydrophobicContact CG1-CG1 4.45Å; V528-K530 VanDerWaalsContact C-N 3.34Å; V528-K530 PolarHBondContact O-N 3.12Å; V528-I543 PolarHBondContact O-N 3.31Å; V528-V667 HydrophobicContact CB-CG1 4.32Å; V528-V667 HydrophobicContact CG1-CG1 3.79Å; V528-V667 HydrophobicContact CG2-CG1 3.57Å | ||
| 529 | N | 79.1 | Confident | 78.6 | Confident | 63 Ų | 63 | 71.8 Ų | 71.8 | 34% | 0.337 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -79.2 | -7.9 | -173.8 | 59.9 | -30.7 | 0 | 0 | 0 | 114.7 | S542 V670 | N529-S542 VanDerWaalsContact C-CB 3.45Å; N529-S542 WeakPolarHBondContact O-CB 3.1Å; N529-V670 HydrophobicContact CB-CB 4.24Å; N529-V670 HydrophobicContact CB-CG2 4.39Å |
| 530 | K | 82.1 | Confident | 78.2 | Confident | 150 Ų | 150 | 66.8 Ų | 66.8 | 65% | 0.652 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -108.3 | 148.8 | 175.2 | -65 | -179.9 | -177.8 | 176.9 | 0 | 110.9 | R492 V528 | R492-K530 PolarHBondContact NH1-O 2.83Å; R492-K530 PolarHBondContact NH2-O 3.06Å; V528-K530 VanDerWaalsContact C-N 3.34Å; V528-K530 PolarHBondContact O-N 3.12Å |
| 531 | P | 81.8 | Confident | 77.7 | Confident | 80 Ų | 80 | 69.9 Ų | 69.9 | 52% | 0.519 | 41% | 0.407 | S | S | . | . | trans | -63.2 | 142.1 | 172.3 | 27.3 | -33.8 | 0 | 0 | 0 | 110.9 | L539 L540 | P531-L539 HydrophobicContact CB-CD1 4.23Å; P531-L540 CarbonylContact C-O 3.38Å; P531-L540 VanDerWaalsContact CA-O 3.32Å; P531-L540 WeakPolarHBondContact CA-O 3.4Å | ||
| 532 | L | 83.6 | Confident | 77.3 | Confident | 26 Ų | 26 | 72.7 Ų | 72.7 | 14% | 0.136 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 121 | 179.4 | 172.7 | 65.9 | 0 | 0 | 0 | 110.4 | E488 A489 I534 L540 | E488-L532 HydrophobicContact CB-CD2 3.76Å; E488-L532 HydrophobicContact CG-CD2 3.85Å; E488-L532 WeakPolarHBondContact OE2-CD1 3.09Å; A489-L532 HydrophobicContact CB-CD2 4.29Å; L532-I534 HydrophobicContact CD2-CG1 4.12Å; L532-I534 HydrophobicContact CG-CG1 4.08Å; L532-L540 HydrophobicContact CB-CB 4.39Å; L532-L540 HydrophobicContact CD2-CD1 4.39Å; L532-L540 PolarHBondContact N-O 2.88Å; L532-L540 PolarHBondContact O-N 2.95Å |
| 533 | Q | 81.9 | Confident | 77.1 | Confident | 137 Ų | 137 | 70.3 Ų | 70.3 | 64% | 0.64 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95 | 113.7 | 172.6 | -170.7 | 158.4 | 2.9 | 0 | 0 | 109.9 | L539 | Q533-L539 HydrophobicContact CB-CD1 3.92Å; Q533-L539 HydrophobicContact CG-CD1 4.42Å |
| 534 | I | 75.5 | Confident | 77.3 | Confident | 35 Ų | 35 | 65.1 Ų | 65.1 | 18% | 0.179 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | -44.9 | 180 | -57.1 | 168.9 | 0 | 0 | 0 | 110 | Y440 Y486 A489 L532 V538 L540 | Y440-I534 HydrophobicContact CE1-CD1 3.76Å; Y440-I534 VanDerWaalsContact OH-CD1 3.3Å; Y440-I534 WeakPolarHBondContact OH-CD1 3.14Å; Y486-I534 HydrophobicContact CD1-CG2 3.74Å; Y486-I534 HydrophobicContact CD2-CG2 3.75Å; Y486-I534 HydrophobicContact CE1-CG2 3.67Å; Y486-I534 HydrophobicContact CE2-CG2 3.69Å; Y486-I534 HydrophobicContact CG-CG2 3.78Å; A489-I534 HydrophobicContact CB-CD1 3.38Å; A489-I534 HydrophobicContact CB-CG1 4.19Å; L532-I534 HydrophobicContact CD2-CG1 4.12Å; L532-I534 HydrophobicContact CG-CG1 4.08Å; I534-V538 HydrophobicContact CD1-CG1 4.11Å; I534-V538 PolarHBondContact N-O 2.89Å; I534-V538 VanDerWaalsContact N-O 3.11Å; I534-L540 HydrophobicContact CD1-CD1 3.74Å; I534-L540 HydrophobicContact CD1-CG 4Å |
| 535 | S | 69 | Low | 77.6 | Confident | 33 Ų | 33 | 59.2 Ų | 59.2 | 23% | 0.231 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 172.6 | 178.9 | 72.1 | 0 | 0 | 0 | 0 | 110.1 | A537 V538 | S535-A537 PolarHBondContact O-N 3.23Å; S535-A537 VanDerWaalsContact O-N 3.08Å; S535-A537 PolarHBondContact OG-N 2.91Å; S535-V538 PolarHBondContact O-N 2.9Å; S535-V538 PolarHBondContact OG-N 2.99Å |
| 536 | S | 59.4 | Low | 77.9 | Confident | 126 Ų | 126 | 57.2 Ų | 57.2 | 88% | 0.881 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -21.9 | 176.8 | 54.8 | 0 | 0 | 0 | 0 | 113.9 | ||
| 537 | A | 61.2 | Low | 77.8 | Confident | 82 Ų | 82 | 56.9 Ų | 56.9 | 68% | 0.678 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105 | -13.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | S535 | S535-A537 PolarHBondContact O-N 3.23Å; S535-A537 VanDerWaalsContact O-N 3.08Å; S535-A537 PolarHBondContact OG-N 2.91Å |
| 538 | V | 73.8 | Confident | 77.7 | Confident | 16 Ų | 16 | 55.1 Ų | 55.1 | 10% | 0.097 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 109.1 | -172.2 | -175.3 | 0 | 0 | 0 | 0 | 110.9 | Y440 P441 L444 I534 S535 | Y440-V538 HydrophobicContact CE1-CG1 4.17Å; P441-V538 HydrophobicContact CB-CG2 4.44Å; P441-V538 HydrophobicContact CG-CG2 4.37Å; L444-V538 HydrophobicContact CD1-CG1 3.53Å; L444-V538 HydrophobicContact CD1-CG2 4.31Å; I534-V538 HydrophobicContact CD1-CG1 4.11Å; I534-V538 PolarHBondContact N-O 2.89Å; I534-V538 VanDerWaalsContact N-O 3.11Å; S535-V538 PolarHBondContact O-N 2.9Å; S535-V538 PolarHBondContact OG-N 2.99Å |
| 539 | L | 76.7 | Confident | 77.9 | Confident | 112 Ų | 112 | 55.1 Ų | 55.1 | 59% | 0.586 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 119 | 172.5 | -175.1 | 72.9 | 0 | 0 | 0 | 108.9 | P531 Q533 | P531-L539 HydrophobicContact CB-CD1 4.23Å; Q533-L539 HydrophobicContact CB-CD1 3.92Å; Q533-L539 HydrophobicContact CG-CD1 4.42Å |
| 540 | L | 79.9 | Confident | 78.4 | Confident | 19 Ų | 19 | 56 Ų | 56 | 10% | 0.099 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 134.7 | 172.7 | -66.2 | -179.5 | 0 | 0 | 0 | 110 | A489 R492 P531 L532 I534 | A489-L540 HydrophobicContact CB-CD1 3.88Å; R492-L540 HydrophobicContact CB-CD1 4.28Å; P531-L540 CarbonylContact C-O 3.38Å; P531-L540 VanDerWaalsContact CA-O 3.32Å; P531-L540 WeakPolarHBondContact CA-O 3.4Å; L532-L540 HydrophobicContact CB-CB 4.39Å; L532-L540 HydrophobicContact CD2-CD1 4.39Å; L532-L540 PolarHBondContact N-O 2.88Å; L532-L540 PolarHBondContact O-N 2.95Å; I534-L540 HydrophobicContact CD1-CD1 3.74Å; I534-L540 HydrophobicContact CD1-CG 4Å |
| 541 | P | 77.5 | Confident | 78.6 | Confident | 92 Ų | 92 | 48.9 Ų | 48.9 | 60% | 0.597 | 29% | 0.292 | S | S | * | . | P | Polyproline II helix | trans | -66.9 | 162.7 | 178.4 | 29.2 | -34.8 | 0 | 0 | 0 | 111.8 | R492 | R492-P541 PolarHBondContact NH1-O 2.89Š|
| 542 | S | 78.7 | Confident | 78.8 | Confident | 63 Ų | 63 | 48.9 Ų | 48.9 | 44% | 0.441 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -68 | 150.4 | 167 | 48.9 | 0 | 0 | 0 | 0 | 110.8 | N529 | N529-S542 VanDerWaalsContact C-CB 3.45Å; N529-S542 WeakPolarHBondContact O-CB 3.1Å |
| 543 | I | 77.5 | Confident | 78.8 | Confident | 24 Ų | 24 | 48.4 Ų | 48.4 | 12% | 0.123 | 29% | 0.285 | C | S | . | . | trans | -122.8 | 129.7 | -179.6 | -60 | 173.5 | 0 | 0 | 0 | 108.4 | R492 L495 V528 | R492-I543 HydrophobicContact CB-CD1 3.97Å; R492-I543 HydrophobicContact CG-CD1 4.25Å; R492-I543 WeakPolarHBondContact O-CD1 3.47Å; L495-I543 HydrophobicContact CD2-CB 4.3Å; L495-I543 HydrophobicContact CD2-CD1 4.43Å; L495-I543 HydrophobicContact CD2-CG2 3.84Å; L495-I543 HydrophobicContact CG-CG2 4.3Å; V528-I543 PolarHBondContact O-N 3.31Å | ||
| 544 | S | 79.6 | Confident | 79 | Confident | 44 Ų | 44 | 42.7 Ų | 42.7 | 31% | 0.308 | 26% | 0.259 | S | S | . | . | trans | -106.2 | 123.2 | 167.8 | -66 | 0 | 0 | 0 | 0 | 108.9 | T546 V670 | S544-T546 PolarHBondContact O-N 3.1Å; S544-V670 PolarHBondContact OG-O 2.83Å | ||
| 545 | I | 83.5 | Confident | 79.1 | Confident | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | trans | -78.5 | 102.9 | 179.5 | -50.7 | -179.7 | 0 | 0 | 0 | 108.8 | L495 L548 F662 T664 V667 S669 C671 | L495-I545 HydrophobicContact CD1-CD1 3.67Å; L495-I545 HydrophobicContact CD1-CG1 3.97Å; L495-I545 HydrophobicContact CD2-CD1 4.11Å; L495-I545 HydrophobicContact CD2-CG1 4.05Å; L495-I545 HydrophobicContact CG-CD1 4.49Å; L495-I545 HydrophobicContact CG-CG1 4.44Å; I545-L548 HydrophobicContact CG2-CB 3.86Å; I545-L548 VanDerWaalsContact CG2-O 3.23Å; I545-L548 WeakPolarHBondContact CG2-O 3.28Å; I545-F662 HydrophobicContact CB-CZ 3.86Å; I545-F662 HydrophobicContact CG2-CE2 4.46Å; I545-F662 HydrophobicContact CG2-CZ 3.96Å; I545-F662 WeakPolarHBondContact O-CZ 3.31Å; I545-T664 HydrophobicContact CD1-CG2 4.45Å; I545-V667 HydrophobicContact CD1-CB 4.21Å; I545-V667 HydrophobicContact CD1-CG1 3.86Å; I545-S669 WeakPolarHBondContact CB-OG 3.41Å; I545-S669 PolarHBondContact N-OG 3.34Å; I545-C671 PolarHBondContact O-SG 3.39Å | ||
| 546 | T | 83.1 | Confident | 79.4 | Confident | 21 Ų | 21 | 45.2 Ų | 45.2 | 13% | 0.129 | 26% | 0.261 | C | S | . | . | trans | -113.4 | -8.1 | -175.8 | 60.8 | 0 | 0 | 0 | 0 | 114.5 | Q499 S544 P549 R550 I676 | Q499-T546 PolarHBondContact NE2-OG1 3.16Å; S544-T546 PolarHBondContact O-N 3.1Å; T546-P549 CarbonylContact C-O 3.59Å; T546-R550 VanDerWaalsContact O-CA 3.29Å; T546-R550 WeakPolarHBondContact O-CA 3.01Å; T546-I676 HydrophobicContact CG2-CD1 3.82Å; T546-I676 HydrophobicContact CG2-CG1 3.86Å | ||
| 547 | N | 84 | Confident | 79.8 | Confident | 24 Ų | 24 | 43.8 Ų | 43.8 | 13% | 0.128 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -111.5 | -12 | -179.6 | -72 | -33 | 0 | 0 | 0 | 112.9 | Q499 Y502 P549 R550 P607 | Q499-N547 PolarHBondContact NE2-ND2 3.38Å; Q499-N547 PolarHBondContact O-ND2 3.34Å; Q499-N547 VanDerWaalsContact OE1-N 3.08Å; Y502-N547 HydrophobicContact CE1-CB 4.14Å; N547-P549 CarbonylContact C-O 3.55Å; N547-P549 CarbonylContact O-C 3.55Å; N547-R550 PolarHBondContact O-N 3.28Å; N547-P607 VanDerWaalsContact O-CD 3.28Å; N547-P607 WeakPolarHBondContact O-CD 3.29Å; N547-P607 WeakPolarHBondContact O-CG 3.38Å |
| 548 | L | 82.8 | Confident | 79.4 | Confident | 9 Ų | 9 | 42.4 Ų | 42.4 | 5% | 0.047 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -133.5 | 74.6 | -173.5 | -67 | 164.2 | 0 | 0 | 0 | 110.9 | L498 I545 T608 L612 F662 | L498-L548 HydrophobicContact CB-CD1 3.93Å; I545-L548 HydrophobicContact CG2-CB 3.86Å; I545-L548 VanDerWaalsContact CG2-O 3.23Å; I545-L548 WeakPolarHBondContact CG2-O 3.28Å; L548-T608 HydrophobicContact CD2-CG2 3.27Å; L548-L612 HydrophobicContact CB-CD2 4.47Å; L548-F662 WeakPolarHBondContact O-CE2 3.4Å |
| 549 | P | 85.6 | Confident | 77.8 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -84.2 | 168.8 | 0.3 | 38.9 | -40.5 | 0 | 0 | 0 | 112.3 | T546 N547 L604 L612 I614 F662 | T546-P549 CarbonylContact C-O 3.59Å; N547-P549 CarbonylContact C-O 3.55Å; N547-P549 CarbonylContact O-C 3.55Å; P549-L604 HydrophobicContact CG-CD2 4.23Å; P549-L612 HydrophobicContact CB-CD2 4.04Å; P549-L612 HydrophobicContact CG-CD2 4.41Å; P549-I614 HydrophobicContact CB-CD1 4.09Å; P549-I614 HydrophobicContact CG-CD1 3.55Å; P549-F662 VanDerWaalsContact CD-CE2 3.45Å |
| 550 | R | 88.3 | Confident | 76.2 | Confident | 82 Ų | 82 | 47.6 Ų | 47.6 | 31% | 0.309 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 118.6 | 170.2 | -169.4 | 170.7 | -176.4 | 171.5 | 1.4 | 110.9 | T546 N547 A605 W678 | T546-R550 VanDerWaalsContact O-CA 3.29Å; T546-R550 WeakPolarHBondContact O-CA 3.01Å; N547-R550 PolarHBondContact O-N 3.28Å; R550-A605 HydrophobicContact CB-CB 4.37Å; R550-A605 PolarHBondContact N-O 3.31Å; R550-A605 PolarHBondContact O-N 2.82Å; R550-W678 HydrophobicContact CG-CZ2 3.97Å |
| 551 | V | 87.2 | Confident | 74.2 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 123 | 173.7 | -177.9 | 0 | 0 | 0 | 0 | 109.5 | I554 V602 L604 Y660 W678 L679 | V551-I554 HydrophobicContact CG1-CD1 4.17Å; V551-I554 HydrophobicContact CG1-CG1 3.89Å; V551-V602 HydrophobicContact CG1-CG1 4.27Å; V551-L604 HydrophobicContact CG2-CD2 3.78Å; V551-Y660 HydrophobicContact CB-CE1 4.19Å; V551-Y660 HydrophobicContact CG2-CD1 4.36Å; V551-Y660 HydrophobicContact CG2-CD2 4.18Å; V551-Y660 HydrophobicContact CG2-CE1 3.79Å; V551-Y660 HydrophobicContact CG2-CE2 3.58Å; V551-W678 PolarHBondContact O-NE1 3.17Å; V551-W678 VanDerWaalsContact O-NE1 3.16Å; V551-L679 HydrophobicContact CB-CD1 4.37Å; V551-L679 HydrophobicContact CG1-CD1 4.32Å |
| 552 | M | 85 | Confident | 72.2 | Confident | 80 Ų | 80 | 45.5 Ų | 45.5 | 39% | 0.394 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | -42.3 | -176.6 | -62.2 | -69.4 | -66.8 | 0 | 0 | 112.1 | T603 A605 | M552-T603 HydrophobicContact CB-CG2 3.99Å; M552-T603 HydrophobicContact CG-CG2 4.32Å; M552-T603 PolarHBondContact N-O 3.35Å; M552-A605 HydrophobicContact CG-CB 3.93Å; M552-A605 HydrophobicContact SD-CB 4.19Å |
| 553 | S | 85.3 | Confident | 70.3 | Confident | 15 Ų | 15 | 45 Ų | 45 | 11% | 0.105 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 152.6 | 177 | 61.5 | 0 | 0 | 0 | 0 | 111.3 | V602 T603 | S553-V602 WeakPolarHBondContact O-CA 3.24Å; S553-T603 PolarHBondContact O-N 3.15Å; S553-T603 PolarHBondContact OG-OG1 3.3Å |
| 554 | I | 84.1 | Confident | 68.1 | Low | 17 Ų | 17 | 49.8 Ų | 49.8 | 9% | 0.087 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 125.4 | 171.3 | -54.4 | 176.5 | 0 | 0 | 0 | 106.7 | V551 V600 E601 V602 L619 I657 Y660 L673 | V551-I554 HydrophobicContact CG1-CD1 4.17Å; V551-I554 HydrophobicContact CG1-CG1 3.89Å; I554-V600 HydrophobicContact CG2-CG1 3.85Å; I554-E601 WeakPolarHBondContact CA-O 3.34Å; I554-V602 HydrophobicContact CG1-CG1 4.32Å; I554-V602 HydrophobicContact CG1-CG2 4.37Å; I554-V602 HydrophobicContact CG2-CG2 4.22Å; I554-L619 HydrophobicContact CD1-CD2 4.28Å; I554-I657 HydrophobicContact CD1-CG2 4.49Å; I554-I657 HydrophobicContact CG2-CD1 3.43Å; I554-I657 VanDerWaalsContact CG2-CD1 3.43Å; I554-Y660 HydrophobicContact CD1-CD1 4.35Å; I554-L673 HydrophobicContact CD1-CD1 4.35Å; I554-L673 HydrophobicContact CD1-CD2 3.98Å |
| 555 | R | 78.8 | Confident | 66.1 | Low | 103 Ų | 103 | 51.6 Ų | 51.6 | 39% | 0.389 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 136.5 | 178.1 | -68.1 | -172.3 | -65.6 | -97.8 | -3.2 | 110.4 | E601 | R555-E601 IonicContact CZ-OE2 3.22Å; R555-E601 PolarHBondContact N-O 3.3Å; R555-E601 IonicContact NE-OE2 2.68Å; R555-E601 IonicContact NH2-OE2 2.69Å; R555-E601 PolarHBondContact NH2-OE2 2.93Å; R555-E601 PolarHBondContact O-N 3.41Å |
| 556 | F | 75.5 | Confident | 63.7 | Low | 18 Ų | 18 | 56.4 Ų | 56.4 | 8% | 0.079 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 139.4 | 159.9 | -65.8 | -76.1 | 0 | 0 | 0 | 108.1 | L592 V600 F626 L655 I657 T687 | F556-L592 HydrophobicContact CB-CD2 4.46Å; F556-L592 HydrophobicContact CD1-CD1 3.96Å; F556-L592 HydrophobicContact CE1-CD1 4.16Å; F556-V600 HydrophobicContact CD1-CG2 3.82Å; F556-V600 HydrophobicContact CE1-CG2 3.93Å; F556-F626 HydrophobicContact CE1-CE1 4.3Å; F556-F626 HydrophobicContact CE1-CZ 4.26Å; F556-L655 HydrophobicContact CE1-CD2 3.7Å; F556-L655 HydrophobicContact CE1-CG 4.48Å; F556-L655 HydrophobicContact CZ-CD2 3.73Å; F556-L655 HydrophobicContact CZ-CG 4Å; F556-I657 HydrophobicContact CD2-CD1 4.39Å; F556-I657 HydrophobicContact CE1-CD1 4.07Å; F556-I657 HydrophobicContact CE1-CG1 4.32Å; F556-I657 HydrophobicContact CE2-CD1 3.67Å; F556-I657 HydrophobicContact CE2-CG1 3.68Å; F556-I657 HydrophobicContact CZ-CD1 3.49Å; F556-I657 VanDerWaalsContact CZ-CD1 3.49Å; F556-I657 HydrophobicContact CZ-CG1 3.39Å; F556-T687 HydrophobicContact CD1-CG2 4.29Å; F556-T687 HydrophobicContact CD2-CG2 3.58Å; F556-T687 HydrophobicContact CE1-CG2 4.32Å; F556-T687 HydrophobicContact CE2-CG2 3.6Å; F556-T687 HydrophobicContact CG-CG2 3.93Å; F556-T687 HydrophobicContact CZ-CG2 3.98Å |
| 557 | K | 66.9 | Low | 61.4 | Low | 97 Ų | 97 | 61.2 Ų | 61.2 | 42% | 0.422 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 108.4 | 171.6 | -171.2 | 177.5 | -174.7 | 176.5 | 0 | 106.8 | L559 T599 | K557-L559 PolarHBondContact O-N 2.82Å; K557-T599 WeakPolarHBondContact CA-O 3.28Å; K557-T599 WeakPolarHBondContact CB-O 3.4Å; K557-T599 PolarHBondContact N-O 2.88Å; K557-T599 VanDerWaalsContact O-O 3.08Å; K557-T599 PolarHBondContact O-OG1 3.25Å; K557-T599 VanDerWaalsContact O-OG1 3.09Å |
| 558 | Q | 52.4 | Low | 59 | Low | 53 Ų | 53 | 64.4 Ų | 64.4 | 25% | 0.248 | 34% | 0.338 | C | S | . | . | trans | -57.9 | 133.3 | 165.8 | -166.8 | 89.1 | -18.4 | 0 | 0 | 108 | S560 C591 | Q558-S560 VanDerWaalsContact C-N 3.29Å; Q558-S560 PolarHBondContact O-N 3.32Å; Q558-C591 PolarHBondContact NE2-O 2.91Å; Q558-C591 PolarHBondContact OE1-O 3.12Å | ||
| 559 | L | 41.1 | Very low | 56.7 | Low | 139 Ų | 139 | 68.1 Ų | 68.1 | 73% | 0.728 | 37% | 0.365 | S | S | * | . | trans | -65.9 | 101.5 | 161 | -163.3 | 75.6 | 0 | 0 | 0 | 105.7 | K557 S561 | K557-L559 PolarHBondContact O-N 2.82Å; L559-S561 PolarHBondContact O-N 3.09Å | ||
| 560 | S | 42.8 | Very low | 53.9 | Low | 98 Ų | 98 | 78 Ų | 78 | 69% | 0.685 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 107.3 | 175.3 | 49.6 | 0 | 0 | 0 | 0 | 109.5 | Q558 | Q558-S560 VanDerWaalsContact C-N 3.29Å; Q558-S560 PolarHBondContact O-N 3.32Å |
| 561 | S | 38.2 | Very low | 51.2 | Low | 23 Ų | 23 | 78.7 Ų | 78.7 | 16% | 0.161 | 43% | 0.431 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 172.1 | -10.9 | 140.8 | 59.2 | 0 | 0 | 0 | 0 | 117.7 | L559 R837 | L559-S561 PolarHBondContact O-N 3.09Å; S561-R837 WeakPolarHBondContact O-CD 3.4Å; S561-R837 PolarHBondContact O-NH1 3.17Å |
| 562 | D | 36.6 | Very low | 48.5 | Very low | 44 Ų | 44 | 87.8 Ų | 87.8 | 24% | 0.235 | 47% | 0.471 | C | S | . | . | S | Bend | trans | -99.9 | -27.2 | -161.9 | -73.7 | 4.2 | 0 | 0 | 0 | 118.3 | R596 R837 V839 | D562-R596 IonicContact OD2-CZ 3.27Å; D562-R596 IonicContact OD2-NH1 3.31Å; D562-R596 PolarHBondContact OD2-NH1 2.78Å; D562-R596 IonicContact OD2-NH2 2.82Å; D562-R837 WeakPolarHBondContact O-CB 3.29Å; D562-V839 WeakPolarHBondContact OD1-CG2 3.47Å |
| 563 | H | 37.4 | Very low | 46.3 | Very low | 53 Ų | 53 | 88 Ų | 88 | 25% | 0.245 | 48% | 0.48 | C | S | . | . | trans | -152 | 113.1 | -178.1 | -66 | -62.6 | 0 | 0 | 0 | 112.7 | ||||
| 564 | E | 32.7 | Very low | 44 | Very low | 123 Ų | 123 | 95 Ų | 95 | 58% | 0.575 | 52% | 0.517 | S | S | * | . | trans | -99.7 | 108.4 | 158.5 | -159.7 | 167.8 | -150.3 | 0 | 0 | 105.4 | ||||
| 565 | V | 36.1 | Very low | 41.6 | Very low | 83 Ų | 83 | 100.3 Ų | 100.3 | 50% | 0.503 | 55% | 0.545 | S | S | . | . | trans | -95.9 | 99.1 | 176.2 | 179.1 | 0 | 0 | 0 | 0 | 106.3 | P567 | V565-P567 WeakPolarHBondContact O-CD 3.02Š| ||
| 566 | D | 34.8 | Very low | 40.3 | Very low | 102 Ų | 102 | 102 Ų | 102 | 55% | 0.545 | 57% | 0.566 | S | S | . | * | trans | -66.4 | 114.1 | 171.5 | -76.7 | -37.9 | 0 | 0 | 0 | 109.4 | V568 | D566-V568 PolarHBondContact O-N 2.91Š| ||
| 567 | P | 33.1 | Very low | 38.4 | Very low | 122 Ų | 122 | 109.1 Ų | 109.1 | 79% | 0.792 | 60% | 0.597 | S | S | * | * | trans | -72.4 | 96.7 | 170.6 | 29.4 | -29.6 | 0 | 0 | 0 | 108.2 | V565 S569 | V565-P567 WeakPolarHBondContact O-CD 3.02Å; P567-S569 PolarHBondContact O-N 3.04Å | ||
| 568 | V | 33.6 | Very low | 37.4 | Very low | 92 Ų | 92 | 113.1 Ų | 113.1 | 56% | 0.558 | 62% | 0.622 | S | S | * | * | trans | -60.6 | 109.5 | 176.4 | 178 | 0 | 0 | 0 | 0 | 109.9 | D566 | D566-V568 PolarHBondContact O-N 2.91Š| ||
| 569 | S | 35.2 | Very low | 36.5 | Very low | 87 Ų | 87 | 119 Ų | 119 | 61% | 0.608 | 64% | 0.643 | S | S | * | * | trans | 20.9 | 104.6 | 164.3 | 67.5 | 0 | 0 | 0 | 0 | 116.5 | P567 A571 | P567-S569 PolarHBondContact O-N 3.04Å; S569-A571 PolarHBondContact O-N 2.81Å | ||
| 570 | K | 27.1 | Very low | 36.3 | Very low | 207 Ų | 207 | 115.2 Ų | 115.2 | 90% | 0.9 | 63% | 0.628 | S | S | * | * | trans | -50.2 | 132.7 | 151.2 | -78.2 | 178.3 | 177.8 | 172.1 | 0 | 108 | K572 | K570-K572 PolarHBondContact O-N 3.3Å; K570-K572 VanDerWaalsContact O-N 3.17Å | ||
| 571 | A | 31 | Very low | 36.1 | Very low | 96 Ų | 96 | 115.2 Ų | 115.2 | 79% | 0.793 | 63% | 0.625 | S | S | * | * | trans | -41 | 121 | -176.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | S569 S573 | S569-A571 PolarHBondContact O-N 2.81Å; A571-S573 PolarHBondContact O-N 2.86Å | ||
| 572 | K | 31.7 | Very low | 36.4 | Very low | 192 Ų | 192 | 122.9 Ų | 122.9 | 84% | 0.835 | 66% | 0.656 | S | S | * | * | trans | -50.7 | 101.9 | 175.8 | -74.1 | 180 | 175.6 | 179.7 | 0 | 108.3 | K570 | K570-K572 PolarHBondContact O-N 3.3Å; K570-K572 VanDerWaalsContact O-N 3.17Å | ||
| 573 | S | 37.8 | Very low | 36.6 | Very low | 85 Ų | 85 | 128.3 Ų | 128.3 | 59% | 0.594 | 68% | 0.68 | S | S | * | * | trans | -61.5 | 136.5 | 163.1 | 76.8 | 0 | 0 | 0 | 0 | 106.8 | A571 N575 | A571-S573 PolarHBondContact O-N 2.86Å; S573-N575 PolarHBondContact O-N 3.12Å | ||
| 574 | N | 37.8 | Very low | 36.5 | Very low | 162 Ų | 162 | 133.3 Ų | 133.3 | 87% | 0.866 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -64.8 | 59.1 | -170.3 | -84.8 | -21 | 0 | 0 | 0 | 114.1 | ||
| 575 | N | 33.6 | Very low | 36.7 | Very low | 127 Ų | 127 | 134.3 Ų | 134.3 | 68% | 0.679 | 72% | 0.718 | S | S | * | * | trans | -99.8 | 121.9 | 168.6 | -80.7 | -22.6 | 0 | 0 | 0 | 109.2 | S573 F577 | S573-N575 PolarHBondContact O-N 3.12Å; N575-F577 PolarHBondContact O-N 3.22Å | ||
| 576 | V | 50.6 | Low | 36.6 | Very low | 138 Ų | 138 | 134.7 Ų | 134.7 | 84% | 0.836 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -65.6 | -4.6 | -175.6 | 170.7 | 0 | 0 | 0 | 0 | 113.1 | ||
| 577 | F | 36.3 | Very low | 36.6 | Very low | 168 Ų | 168 | 135.8 Ų | 135.8 | 74% | 0.737 | 74% | 0.74 | S | S | * | * | trans | -93.7 | 120.9 | -179.7 | -60.2 | -73.8 | 0 | 0 | 0 | 111.2 | N575 Y579 | N575-F577 PolarHBondContact O-N 3.22Å; F577-Y579 PolarHBondContact O-N 3.27Å | ||
| 578 | I | 46.8 | Very low | 36.8 | Very low | 181 Ų | 181 | 136.8 Ų | 136.8 | 93% | 0.928 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -63.6 | -17.8 | 176.3 | -60.8 | 169.7 | 0 | 0 | 0 | 111.6 | ||
| 579 | Y | 32.5 | Very low | 37.2 | Very low | 178 Ų | 178 | 138 Ų | 138 | 70% | 0.698 | 74% | 0.738 | S | S | * | * | trans | -149.8 | 126 | -179.1 | -175.7 | -103.6 | 0 | 0 | 0 | 109.6 | F577 P581 | F577-Y579 PolarHBondContact O-N 3.27Å; Y579-P581 HydrophobicContact CE1-CG 4.37Å | ||
| 580 | S | 36.1 | Very low | 37.9 | Very low | 59 Ų | 59 | 139 Ų | 139 | 41% | 0.413 | 73% | 0.733 | S | S | . | * | trans | -122.4 | 121.9 | 172.6 | -166.2 | 0 | 0 | 0 | 0 | 109.1 | F582 E583 | S580-F582 PolarHBondContact O-N 3.39Å; S580-E583 PolarHBondContact O-N 3.47Å | ||
| 581 | P | 40.3 | Very low | 39.5 | Very low | 97 Ų | 97 | 130.6 Ų | 130.6 | 63% | 0.63 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | 6.3 | -175.4 | -15.9 | 29.2 | 0 | 0 | 0 | 115.5 | Y579 | Y579-P581 HydrophobicContact CE1-CG 4.37Š|
| 582 | F | 44.1 | Very low | 41.2 | Very low | 184 Ų | 184 | 126 Ų | 126 | 81% | 0.807 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.7 | 1.5 | -174.8 | -59 | -71.9 | 0 | 0 | 0 | 113.3 | S580 D584 | S580-F582 PolarHBondContact O-N 3.39Å; F582-D584 PolarHBondContact O-N 3.25Å |
| 583 | E | 39.9 | Very low | 42.7 | Very low | 158 Ų | 158 | 117.8 Ų | 117.8 | 74% | 0.738 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -82.3 | 102.8 | 162.5 | -72.4 | -175.7 | 166.5 | 0 | 0 | 106.4 | S580 D585 | S580-E583 PolarHBondContact O-N 3.47Å; E583-D585 PolarHBondContact O-N 3.36Å |
| 584 | D | 35.1 | Very low | 44.1 | Very low | 159 Ų | 159 | 114.3 Ų | 114.3 | 85% | 0.85 | 60% | 0.604 | S | S | * | * | trans | -49.1 | 115.9 | 173.1 | -87.3 | -35.3 | 0 | 0 | 0 | 108 | F582 A586 | F582-D584 PolarHBondContact O-N 3.25Å; D584-A586 VanDerWaalsContact C-N 3.35Å; D584-A586 PolarHBondContact O-N 3.3Å | ||
| 585 | D | 36.4 | Very low | 45.4 | Very low | 144 Ų | 144 | 108 Ų | 108 | 77% | 0.77 | 58% | 0.577 | S | S | * | * | trans | -50.7 | 105.8 | 167.3 | -72.5 | -43.7 | 0 | 0 | 0 | 105.8 | E583 V587 | E583-D585 PolarHBondContact O-N 3.36Å; D585-V587 PolarHBondContact O-N 2.84Å | ||
| 586 | A | 34.6 | Very low | 47.1 | Very low | 90 Ų | 90 | 105.6 Ų | 105.6 | 74% | 0.744 | 56% | 0.559 | S | S | * | * | trans | -59.9 | 98.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 106 | D584 N588 | D584-A586 VanDerWaalsContact C-N 3.35Å; D584-A586 PolarHBondContact O-N 3.3Å; A586-N588 PolarHBondContact O-N 2.83Å | ||
| 587 | V | 35.2 | Very low | 48.1 | Very low | 125 Ų | 125 | 103.1 Ų | 103.1 | 76% | 0.758 | 54% | 0.544 | S | S | * | . | trans | -44.1 | 115.8 | 170.5 | 175.1 | 0 | 0 | 0 | 0 | 104.5 | D585 E589 | D585-V587 PolarHBondContact O-N 2.84Å; V587-E589 PolarHBondContact O-N 2.85Å | ||
| 588 | N | 37.5 | Very low | 49.8 | Very low | 143 Ų | 143 | 95.6 Ų | 95.6 | 77% | 0.765 | 51% | 0.512 | S | S | * | . | trans | -45.7 | 95.4 | 178.7 | -82.6 | -15.6 | 0 | 0 | 0 | 107.9 | A586 E590 | A586-N588 PolarHBondContact O-N 2.83Å; N588-E590 PolarHBondContact O-N 2.87Å | ||
| 589 | E | 41.5 | Very low | 51.4 | Low | 117 Ų | 117 | 88.2 Ų | 88.2 | 55% | 0.547 | 48% | 0.475 | S | S | . | . | trans | -66.1 | 108.6 | 176.3 | -78.8 | -172.6 | 158.6 | 0 | 0 | 103.4 | V587 C591 | V587-E589 PolarHBondContact O-N 2.85Å; E589-C591 PolarHBondContact O-N 2.97Å; E589-C591 PolarHBondContact O-SG 3.42Å | ||
| 590 | E | 50.4 | Low | 53.8 | Low | 109 Ų | 109 | 79.7 Ų | 79.7 | 51% | 0.509 | 44% | 0.442 | S | S | . | . | trans | -60.5 | 93.7 | 172.4 | -73 | -171.2 | -177.8 | 0 | 0 | 107 | N588 T687 | N588-E590 PolarHBondContact O-N 2.87Å; E590-T687 PolarHBondContact O-OG1 2.89Å | ||
| 591 | C | 59.8 | Low | 56.2 | Low | 30 Ų | 30 | 78.3 Ų | 78.3 | 20% | 0.203 | 43% | 0.429 | C | S | . | . | trans | -84.2 | 123.8 | -177 | -66.9 | 0 | 0 | 0 | 0 | 110.8 | Q558 E589 Q688 L690 | Q558-C591 PolarHBondContact NE2-O 2.91Å; Q558-C591 PolarHBondContact OE1-O 3.12Å; E589-C591 PolarHBondContact O-N 2.97Å; E589-C591 PolarHBondContact O-SG 3.42Å; C591-Q688 CarbonylContact C-O 3.58Å; C591-Q688 VanDerWaalsContact C-O 3.28Å; C591-Q688 WeakPolarHBondContact CA-O 3.2Å; C591-Q688 WeakPolarHBondContact CB-O 3.42Å; C591-L690 HydrophobicContact CB-CD1 3.74Å; C591-L690 HydrophobicContact CB-CG 3.99Å | ||
| 592 | L | 67 | Low | 58.5 | Low | 1 Ų | 1 | 73.7 Ų | 73.7 | 1% | 0.005 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 165.8 | 173.5 | -52 | 177.4 | 0 | 0 | 0 | 111.1 | F556 T598 L655 T687 Q688 V689 L690 | F556-L592 HydrophobicContact CB-CD2 4.46Å; F556-L592 HydrophobicContact CD1-CD1 3.96Å; F556-L592 HydrophobicContact CE1-CD1 4.16Å; L592-T598 HydrophobicContact CB-CG2 4.26Å; L592-T598 HydrophobicContact CD2-CG2 3.81Å; L592-T598 HydrophobicContact CG-CG2 4.41Å; L592-L655 HydrophobicContact CD1-CD2 3.79Å; L592-T687 HydrophobicContact CD1-CG2 3.65Å; L592-T687 HydrophobicContact CG-CG2 3.91Å; L592-Q688 PolarHBondContact N-O 2.54Å; L592-V689 HydrophobicContact CB-CB 4.49Å; L592-V689 HydrophobicContact CB-CG1 4.3Å; L592-V689 HydrophobicContact CB-CG2 4.15Å; L592-V689 HydrophobicContact CD1-CG2 4.41Å; L592-V689 CarbonylContact O-C 3.56Å; L592-V689 VanDerWaalsContact O-CA 3.26Å; L592-V689 WeakPolarHBondContact O-CA 3.46Å; L592-L690 PolarHBondContact O-N 3.47Å |
| 593 | I | 63 | Low | 60.6 | Low | 18 Ų | 18 | 65.8 Ų | 65.8 | 9% | 0.092 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 130.1 | 175.2 | -57.4 | 175.7 | 0 | 0 | 0 | 109.6 | R596 L690 E692 | I593-R596 PolarHBondContact O-N 3.29Å; I593-L690 CarbonylContact C-O 3.54Å; I593-L690 WeakPolarHBondContact CA-O 3.38Å; I593-E692 HydrophobicContact CG2-CB 3.93Å |
| 594 | A | 66.9 | Low | 63.1 | Low | 13 Ų | 13 | 58.3 Ų | 58.3 | 11% | 0.107 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 139 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | R596 V689 L690 | A594-R596 VanDerWaalsContact C-N 3.31Å; A594-R596 PolarHBondContact O-N 2.78Å; A594-V689 HydrophobicContact CB-CG1 3.99Å; A594-L690 PolarHBondContact N-O 2.87Å |
| 595 | G | 66.1 | Low | 65.6 | Low | 30 Ų | 30 | 51.2 Ų | 51.2 | 31% | 0.309 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.9 | -16.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | K648 A649 | G595-K648 WeakPolarHBondContact O-CD 3.42Å; G595-K648 WeakPolarHBondContact O-CE 3.49Å; G595-K648 PolarHBondContact O-NZ 3.32Å; G595-A649 PolarHBondContact N-O 2.8Å |
| 596 | R | 68.7 | Low | 68.2 | Low | 75 Ų | 75 | 44.5 Ų | 44.5 | 28% | 0.283 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -99.2 | 148.3 | -178.1 | -66.5 | -168.4 | 177.4 | -168.6 | -0.4 | 113.1 | D562 I593 A594 E692 | D562-R596 IonicContact OD2-CZ 3.27Å; D562-R596 IonicContact OD2-NH1 3.31Å; D562-R596 PolarHBondContact OD2-NH1 2.78Å; D562-R596 IonicContact OD2-NH2 2.82Å; I593-R596 PolarHBondContact O-N 3.29Å; A594-R596 VanDerWaalsContact C-N 3.31Å; A594-R596 PolarHBondContact O-N 2.78Å; R596-E692 IonicContact CZ-OE1 3.55Å; R596-E692 VanDerWaalsContact CZ-OE1 3.28Å; R596-E692 IonicContact NE-OE1 3.9Å; R596-E692 PolarHBondContact NE-OE1 2.87Å; R596-E692 IonicContact NH2-OE1 2.97Å; R596-E692 PolarHBondContact NH2-OE1 2.84Å |
| 597 | T | 71.4 | Confident | 70.4 | Confident | 86 Ų | 86 | 42.1 Ų | 42.1 | 53% | 0.528 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 127.5 | 172.4 | -48.6 | 0 | 0 | 0 | 0 | 109.2 | Q646 | T597-Q646 HydrophobicContact CG2-CB 3.79Å; T597-Q646 HydrophobicContact CG2-CG 4.26Å |
| 598 | T | 72.7 | Confident | 72.5 | Confident | 10 Ų | 10 | 36.6 Ų | 36.6 | 6% | 0.061 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 153.6 | -177.6 | 63 | 0 | 0 | 0 | 0 | 109.2 | L592 Q646 G647 | L592-T598 HydrophobicContact CB-CG2 4.26Å; L592-T598 HydrophobicContact CD2-CG2 3.81Å; L592-T598 HydrophobicContact CG-CG2 4.41Å; T598-Q646 WeakPolarHBondContact O-CA 3.29Å; T598-G647 PolarHBondContact N-O 2.81Å; T598-G647 PolarHBondContact O-N 3.18Å; T598-G647 PolarHBondContact OG1-O 2.98Å |
| 599 | T | 79.9 | Confident | 74.5 | Confident | 26 Ų | 26 | 31.9 Ų | 31.9 | 16% | 0.16 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 128.1 | 179.4 | 51.7 | 0 | 0 | 0 | 0 | 110.8 | K557 F645 | K557-T599 WeakPolarHBondContact CA-O 3.28Å; K557-T599 WeakPolarHBondContact CB-O 3.4Å; K557-T599 PolarHBondContact N-O 2.88Å; K557-T599 VanDerWaalsContact O-O 3.08Å; K557-T599 PolarHBondContact O-OG1 3.25Å; K557-T599 VanDerWaalsContact O-OG1 3.09Å; T599-F645 CarbonylContact C-O 3.51Å; T599-F645 WeakPolarHBondContact CA-O 3.31Å |
| 600 | V | 84.2 | Confident | 76.4 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 121.6 | 170.3 | -172.2 | 0 | 0 | 0 | 0 | 108.5 | I554 F556 V602 L619 F626 Q644 F645 I657 | I554-V600 HydrophobicContact CG2-CG1 3.85Å; F556-V600 HydrophobicContact CD1-CG2 3.82Å; F556-V600 HydrophobicContact CE1-CG2 3.93Å; V600-V602 HydrophobicContact CG1-CG2 4.46Å; V600-L619 HydrophobicContact CB-CD1 4.01Å; V600-L619 HydrophobicContact CG1-CD1 3.61Å; V600-L619 HydrophobicContact CG2-CD1 4.32Å; V600-F626 HydrophobicContact CG2-CE1 4.08Å; V600-F626 HydrophobicContact CG2-CZ 3.92Å; V600-Q644 WeakPolarHBondContact O-CA 3.34Å; V600-F645 HydrophobicContact CB-CB 4.44Å; V600-F645 PolarHBondContact N-O 3.43Å; V600-F645 PolarHBondContact O-N 2.81Å; V600-I657 HydrophobicContact CG1-CD1 4.15Å |
| 601 | E | 86.2 | Confident | 78.1 | Confident | 30 Ų | 30 | 25.8 Ų | 25.8 | 14% | 0.14 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 122.1 | 178.8 | -169.9 | 178.6 | -91.4 | 0 | 0 | 110.2 | I554 R555 V642 C643 | I554-E601 WeakPolarHBondContact CA-O 3.34Å; R555-E601 IonicContact CZ-OE2 3.22Å; R555-E601 PolarHBondContact N-O 3.3Å; R555-E601 IonicContact NE-OE2 2.68Å; R555-E601 IonicContact NH2-OE2 2.69Å; R555-E601 PolarHBondContact NH2-OE2 2.93Å; R555-E601 PolarHBondContact O-N 3.41Å; E601-V642 HydrophobicContact CG-CG1 3.44Å; E601-V642 VanDerWaalsContact CG-CG1 3.44Å; E601-C643 WeakPolarHBondContact CA-O 3.36Å |
| 602 | V | 89 | Confident | 79.3 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 124.2 | 177.7 | -178.3 | 0 | 0 | 0 | 0 | 108.8 | V551 S553 I554 V600 L604 F617 L619 C643 F645 | V551-V602 HydrophobicContact CG1-CG1 4.27Å; S553-V602 WeakPolarHBondContact O-CA 3.24Å; I554-V602 HydrophobicContact CG1-CG1 4.32Å; I554-V602 HydrophobicContact CG1-CG2 4.37Å; I554-V602 HydrophobicContact CG2-CG2 4.22Å; V600-V602 HydrophobicContact CG1-CG2 4.46Å; V602-L604 HydrophobicContact CG1-CD2 3.75Å; V602-L604 HydrophobicContact CG1-CG 4.19Å; V602-F617 HydrophobicContact CG1-CE1 4.39Å; V602-F617 HydrophobicContact CG1-CZ 4.04Å; V602-F617 HydrophobicContact CG2-CE1 4.44Å; V602-L619 HydrophobicContact CG2-CD2 4.33Å; V602-C643 PolarHBondContact N-O 2.8Å; V602-C643 PolarHBondContact O-N 2.89Å; V602-F645 HydrophobicContact CB-CD2 4.17Å; V602-F645 HydrophobicContact CB-CE2 3.77Å; V602-F645 HydrophobicContact CG2-CD2 3.66Å; V602-F645 HydrophobicContact CG2-CE2 3.64Å |
| 603 | T | 88.1 | Confident | 80.4 | Confident | 18 Ų | 18 | 31.6 Ų | 31.6 | 11% | 0.11 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 115.2 | 174.3 | -57.2 | 0 | 0 | 0 | 0 | 110.1 | M552 S553 V642 | M552-T603 HydrophobicContact CB-CG2 3.99Å; M552-T603 HydrophobicContact CG-CG2 4.32Å; M552-T603 PolarHBondContact N-O 3.35Å; S553-T603 PolarHBondContact O-N 3.15Å; S553-T603 PolarHBondContact OG-OG1 3.3Å; T603-V642 HydrophobicContact CG2-CG2 4.24Å |
| 604 | L | 90.8 | Very high | 81.6 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 141.9 | 177.5 | -58.1 | 178.9 | 0 | 0 | 0 | 110.1 | P549 V551 V602 I614 F617 L633 V635 K640 L641 | P549-L604 HydrophobicContact CG-CD2 4.23Å; V551-L604 HydrophobicContact CG2-CD2 3.78Å; V602-L604 HydrophobicContact CG1-CD2 3.75Å; V602-L604 HydrophobicContact CG1-CG 4.19Å; L604-I614 HydrophobicContact CD1-CD1 4.12Å; L604-F617 HydrophobicContact CD1-CE2 4.46Å; L604-F617 HydrophobicContact CD2-CE2 3.98Å; L604-F617 HydrophobicContact CD2-CZ 4.22Å; L604-L633 HydrophobicContact CD1-CD1 3.84Å; L604-V635 HydrophobicContact CB-CG2 4.36Å; L604-V635 HydrophobicContact CD1-CG2 4.1Å; L604-K640 CarbonylContact O-C 3.57Å; L604-K640 VanDerWaalsContact O-CA 3.27Å; L604-K640 WeakPolarHBondContact O-CA 3.4Å; L604-L641 PolarHBondContact N-O 3.4Å; L604-L641 PolarHBondContact O-N 2.98Å |
| 605 | A | 88.1 | Confident | 82.6 | Confident | 11 Ų | 11 | 32 Ų | 32 | 9% | 0.091 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 128.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | R550 M552 P607 T639 K640 | R550-A605 HydrophobicContact CB-CB 4.37Å; R550-A605 PolarHBondContact N-O 3.31Å; R550-A605 PolarHBondContact O-N 2.82Å; M552-A605 HydrophobicContact CG-CB 3.93Å; M552-A605 HydrophobicContact SD-CB 4.19Å; A605-P607 WeakPolarHBondContact O-CD 3.13Å; A605-T639 WeakPolarHBondContact CA-O 3.32Å; A605-K640 HydrophobicContact CB-CG 4.11Å |
| 606 | N | 90.7 | Very high | 83.6 | Confident | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.011 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 104.4 | 169.6 | 176.7 | 8.6 | 0 | 0 | 0 | 108.7 | T608 I610 L612 V635 P636 N638 T639 | N606-T608 PolarHBondContact O-N 2.96Å; N606-T608 PolarHBondContact OD1-N 2.97Å; N606-T608 PolarHBondContact OD1-OG1 2.9Å; N606-I610 PolarHBondContact ND2-O 3.05Å; N606-L612 PolarHBondContact ND2-N 3.19Å; N606-V635 HydrophobicContact CB-CB 4.04Å; N606-V635 HydrophobicContact CB-CG1 3.47Å; N606-V635 VanDerWaalsContact CB-CG1 3.47Å; N606-V635 PolarHBondContact ND2-O 3.14Å; N606-P636 PolarHBondContact ND2-O 3.31Å; N606-N638 CarbonylContact O-C 3.57Å; N606-N638 WeakPolarHBondContact O-CA 3.37Å; N606-N638 PolarHBondContact O-N 3.07Å; N606-N638 VanDerWaalsContact O-N 3.12Å; N606-T639 PolarHBondContact N-O 3.44Å; N606-T639 PolarHBondContact O-N 3.03Å |
| 607 | P | 80.1 | Confident | 84.6 | Confident | 41 Ų | 41 | 31.4 Ų | 31.4 | 27% | 0.266 | 19% | 0.185 | S | C | . | . | trans | -82.7 | 7.7 | -177.9 | 36.6 | -37.9 | 0 | 0 | 0 | 113.5 | Y502 N547 A605 N638 | Y502-P607 HydrophobicContact CD2-CG 4.33Å; Y502-P607 HydrophobicContact CE1-CG 4.48Å; Y502-P607 HydrophobicContact CE2-CB 3.67Å; Y502-P607 HydrophobicContact CE2-CG 3.69Å; N547-P607 VanDerWaalsContact O-CD 3.28Å; N547-P607 WeakPolarHBondContact O-CD 3.29Å; N547-P607 WeakPolarHBondContact O-CG 3.38Å; A605-P607 WeakPolarHBondContact O-CD 3.13Å; P607-N638 PolarHBondContact O-OD1 3.1Å | ||
| 608 | T | 81.2 | Confident | 85.5 | Confident | 9 Ų | 9 | 29.9 Ų | 29.9 | 6% | 0.055 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -102.6 | 159.7 | -176.4 | 67.1 | 0 | 0 | 0 | 0 | 113.1 | Y502 L510 L548 N606 I610 A637 N638 | Y502-T608 HydrophobicContact CD2-CG2 4.02Å; Y502-T608 HydrophobicContact CG-CG2 4.22Å; L510-T608 HydrophobicContact CD2-CG2 4.33Å; L548-T608 HydrophobicContact CD2-CG2 3.27Å; N606-T608 PolarHBondContact O-N 2.96Å; N606-T608 PolarHBondContact OD1-N 2.97Å; N606-T608 PolarHBondContact OD1-OG1 2.9Å; T608-I610 PolarHBondContact O-N 3.28Å; T608-I610 PolarHBondContact OG1-O 3.26Å; T608-A637 CarbonylContact O-C 3.58Å; T608-A637 VanDerWaalsContact O-CA 3.25Å; T608-A637 WeakPolarHBondContact O-CA 3.36Å; T608-A637 WeakPolarHBondContact O-CB 3.4Å; T608-N638 PolarHBondContact O-N 3.12Å; T608-N638 PolarHBondContact O-OD1 3.22Å |
| 609 | S | 78.9 | Confident | 86.2 | Confident | 43 Ų | 43 | 29.9 Ų | 29.9 | 30% | 0.301 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -77.9 | 10.3 | 177.4 | 61.6 | 0 | 0 | 0 | 0 | 114.1 | A637 | S609-A637 VanDerWaalsContact C-CB 3.41Š|
| 610 | I | 82 | Confident | 86.5 | Confident | 43 Ų | 43 | 30.8 Ų | 30.8 | 22% | 0.221 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -128.1 | 138.5 | -177.9 | -53.7 | 178.9 | 0 | 0 | 0 | 108.3 | L510 H511 N606 T608 L612 | L510-I610 HydrophobicContact CB-CD1 4.25Å; L510-I610 HydrophobicContact CD2-CD1 3.89Å; L510-I610 HydrophobicContact CD2-CG1 4.01Å; L510-I610 HydrophobicContact CG-CD1 3.74Å; L510-I610 HydrophobicContact CG-CG1 4.42Å; H511-I610 HydrophobicContact CB-CD1 3.64Å; N606-I610 PolarHBondContact ND2-O 3.05Å; T608-I610 PolarHBondContact O-N 3.28Å; T608-I610 PolarHBondContact OG1-O 3.26Å; I610-L612 PolarHBondContact O-N 2.63Å |
| 611 | A | 85.7 | Confident | 86.6 | Confident | 56 Ų | 56 | 32.8 Ų | 32.8 | 46% | 0.463 | 19% | 0.194 | S | C | . | . | P | Polyproline II helix | trans | -63.7 | 131.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | I634 | A611-I634 HydrophobicContact CB-CG2 4.46Š|
| 612 | L | 85.2 | Confident | 86.5 | Confident | 8 Ų | 8 | 36.4 Ų | 36.4 | 4% | 0.042 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 117.9 | -177.6 | -166.9 | 73.5 | 0 | 0 | 0 | 109.5 | L548 P549 N606 I610 I614 V635 T664 L665 | L548-L612 HydrophobicContact CB-CD2 4.47Å; P549-L612 HydrophobicContact CB-CD2 4.04Å; P549-L612 HydrophobicContact CG-CD2 4.41Å; N606-L612 PolarHBondContact ND2-N 3.19Å; I610-L612 PolarHBondContact O-N 2.63Å; L612-I614 HydrophobicContact CD2-CD1 4.3Å; L612-I614 HydrophobicContact CD2-CG1 4.08Å; L612-I614 HydrophobicContact CG-CG1 4.23Å; L612-V635 PolarHBondContact N-O 3.12Å; L612-V635 PolarHBondContact O-N 2.97Å; L612-T664 VanDerWaalsContact CD1-OG1 3.28Å; L612-T664 WeakPolarHBondContact CD1-OG1 3.38Å; L612-T664 WeakPolarHBondContact CG-OG1 3.38Å; L612-L665 HydrophobicContact CD1-CG 4.42Å |
| 613 | Q | 88.9 | Confident | 86.1 | Confident | 145 Ų | 145 | 39.2 Ų | 39.2 | 68% | 0.678 | 24% | 0.243 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 123.9 | 169.6 | -69.7 | -179.2 | -30.1 | 0 | 0 | 109.2 | I634 T664 | Q613-I634 HydrophobicContact CG-CG1 4.4Å; Q613-T664 PolarHBondContact O-OG1 3.33Å |
| 614 | I | 89.6 | Confident | 85.8 | Confident | 5 Ų | 5 | 39.1 Ų | 39.1 | 3% | 0.026 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 122.5 | 179.1 | -56.5 | 171.2 | 0 | 0 | 0 | 106.9 | P549 L604 L612 F617 D632 L633 V635 F662 Q663 | P549-I614 HydrophobicContact CB-CD1 4.09Å; P549-I614 HydrophobicContact CG-CD1 3.55Å; L604-I614 HydrophobicContact CD1-CD1 4.12Å; L612-I614 HydrophobicContact CD2-CD1 4.3Å; L612-I614 HydrophobicContact CD2-CG1 4.08Å; L612-I614 HydrophobicContact CG-CG1 4.23Å; I614-F617 HydrophobicContact CG2-CB 4.12Å; I614-F617 HydrophobicContact CG2-CD2 4.1Å; I614-D632 WeakPolarHBondContact O-CA 3.1Å; I614-L633 HydrophobicContact CB-CB 4.31Å; I614-L633 PolarHBondContact N-O 2.72Å; I614-L633 PolarHBondContact O-N 2.82Å; I614-L633 VanDerWaalsContact O-O 3.09Å; I614-V635 HydrophobicContact CD1-CG2 3.56Å; I614-F662 HydrophobicContact CG2-CB 3.81Å; I614-F662 HydrophobicContact CG2-CD2 4.07Å; I614-F662 HydrophobicContact CG2-CG 4.3Å; I614-Q663 WeakPolarHBondContact CA-O 3.2Å |
| 615 | S | 88 | Confident | 85.2 | Confident | 35 Ų | 35 | 42 Ų | 42 | 25% | 0.245 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 152.9 | 173.8 | 55.6 | 0 | 0 | 0 | 0 | 111.8 | F617 D632 Q663 | S615-F617 VanDerWaalsContact C-N 3.31Å; S615-F617 PolarHBondContact O-N 3.19Å; S615-D632 WeakPolarHBondContact CA-OD1 3.46Å; S615-D632 WeakPolarHBondContact CB-OD1 3.45Å; S615-Q663 PolarHBondContact N-O 2.92Å; S615-Q663 PolarHBondContact O-N 2.89Å; S615-Q663 WeakPolarHBondContact OG-CB 3.49Å |
| 616 | N | 86.1 | Confident | 84.9 | Confident | 91 Ų | 91 | 42.8 Ų | 42.8 | 49% | 0.487 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 50.1 | 46.3 | 178.2 | -63.7 | -32.5 | 0 | 0 | 0 | 113.3 | D618 D632 | N616-D618 PolarHBondContact O-N 3.21Å; N616-D632 PolarHBondContact N-OD1 3.24Å |
| 617 | F | 90.6 | Very high | 84.3 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 120.3 | 173.5 | -170 | -75.7 | 0 | 0 | 0 | 109.2 | V602 L604 I614 S615 L619 P630 R631 L633 F645 Y660 T661 F662 | V602-F617 HydrophobicContact CG1-CE1 4.39Å; V602-F617 HydrophobicContact CG1-CZ 4.04Å; V602-F617 HydrophobicContact CG2-CE1 4.44Å; L604-F617 HydrophobicContact CD1-CE2 4.46Å; L604-F617 HydrophobicContact CD2-CE2 3.98Å; L604-F617 HydrophobicContact CD2-CZ 4.22Å; I614-F617 HydrophobicContact CG2-CB 4.12Å; I614-F617 HydrophobicContact CG2-CD2 4.1Å; S615-F617 VanDerWaalsContact C-N 3.31Å; S615-F617 PolarHBondContact O-N 3.19Å; F617-L619 HydrophobicContact CE1-CD2 4.06Å; F617-P630 WeakPolarHBondContact O-CA 3.48Å; F617-R631 WeakPolarHBondContact CB-O 3.32Å; F617-R631 PolarHBondContact N-O 3.14Å; F617-R631 VanDerWaalsContact N-O 3.1Å; F617-R631 PolarHBondContact O-N 2.04Å; F617-R631 VanDerWaalsContact O-N 3.16Å; F617-L633 HydrophobicContact CB-CD1 4.2Å; F617-L633 HydrophobicContact CG-CD1 4.34Å; F617-F645 HydrophobicContact CB-CE1 4.23Å; F617-F645 HydrophobicContact CB-CZ 4.27Å; F617-F645 HydrophobicContact CD1-CD1 4.47Å; F617-F645 AromaticContact CD1-CE1 3.45Å; F617-F645 HydrophobicContact CD1-CE1 3.45Å; F617-F645 VanDerWaalsContact CD1-CE1 3.45Å; F617-F645 AromaticContact CD1-CE2 3.97Å; F617-F645 HydrophobicContact CD1-CE2 3.97Å; F617-F645 AromaticContact CD1-CZ 3.13Å; F617-F645 HydrophobicContact CD1-CZ 3.13Å; F617-F645 HydrophobicContact CE1-CE1 4.2Å; F617-F645 AromaticContact CE1-CE2 3.94Å; F617-F645 HydrophobicContact CE1-CE2 3.94Å; F617-F645 AromaticContact CE1-CZ 3.57Å; F617-F645 HydrophobicContact CE1-CZ 3.57Å; F617-F645 HydrophobicContact CG-CE1 4.18Å; F617-F645 AromaticContact CG-CZ 3.84Å; F617-F645 HydrophobicContact CG-CZ 3.84Å; F617-Y660 HydrophobicContact CE2-CD2 4.18Å; F617-Y660 HydrophobicContact CZ-CD2 4.25Å; F617-Y660 HydrophobicContact CZ-CG 4.39Å; F617-T661 WeakPolarHBondContact CA-O 3.14Å; F617-F662 HydrophobicContact CB-CB 4.42Å; F617-F662 HydrophobicContact CD2-CB 3.81Å; F617-F662 HydrophobicContact CD2-CG 4.41Å; F617-F662 HydrophobicContact CG-CB 4.43Å |
| 618 | D | 89 | Confident | 84.4 | Confident | 54 Ų | 54 | 45.2 Ų | 45.2 | 29% | 0.289 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 156.3 | -176.8 | -167.1 | 15.3 | 0 | 0 | 0 | 111.3 | N616 P630 Y660 T661 | N616-D618 PolarHBondContact O-N 3.21Å; D618-P630 HydrophobicContact CB-CB 4.44Å; D618-Y660 WeakPolarHBondContact O-CA 3.5Å; D618-T661 PolarHBondContact N-O 3.27Å; D618-T661 PolarHBondContact O-N 2.88Å |
| 619 | L | 87.8 | Confident | 84.2 | Confident | 10 Ų | 10 | 51.6 Ų | 51.6 | 5% | 0.052 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 128.2 | -177 | -66.2 | 175 | 0 | 0 | 0 | 110.7 | I554 V600 V602 F617 C621 V628 | I554-L619 HydrophobicContact CD1-CD2 4.28Å; V600-L619 HydrophobicContact CB-CD1 4.01Å; V600-L619 HydrophobicContact CG1-CD1 3.61Å; V600-L619 HydrophobicContact CG2-CD1 4.32Å; V602-L619 HydrophobicContact CG2-CD2 4.33Å; F617-L619 HydrophobicContact CE1-CD2 4.06Å; L619-C621 PolarHBondContact O-N 3.44Å; L619-V628 HydrophobicContact CB-CG2 4.39Å; L619-V628 HydrophobicContact CD1-CG2 4.45Å |
| 620 | C | 86.5 | Confident | 84.2 | Confident | 46 Ų | 46 | 53.3 Ų | 53.3 | 31% | 0.311 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 112 | 174.1 | -54.4 | 0 | 0 | 0 | 0 | 109.7 | V658 G659 | C620-V658 PolarHBondContact O-N 3.35Å; C620-G659 PolarHBondContact N-O 3.19Å; C620-G659 PolarHBondContact O-N 3.08Å; C620-G659 VanDerWaalsContact O-N 3.16Å |
| 621 | C | 86.5 | Confident | 84.1 | Confident | 42 Ų | 42 | 57 Ų | 57 | 28% | 0.284 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 157 | 179.2 | -55.6 | 0 | 0 | 0 | 0 | 111.6 | L619 F626 L655 K656 | L619-C621 PolarHBondContact O-N 3.44Å; C621-F626 HydrophobicContact CB-CD1 4.48Å; C621-L655 HydrophobicContact CB-CD1 3.84Å; C621-K656 CarbonylContact C-O 3.6Å; C621-K656 VanDerWaalsContact CA-O 3.27Å; C621-K656 WeakPolarHBondContact CA-O 3.29Å |
| 622 | D | 83.3 | Confident | 84.2 | Confident | 106 Ų | 106 | 59.5 Ų | 59.5 | 57% | 0.567 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 151.6 | 175.1 | -176.4 | 30.5 | 0 | 0 | 0 | 109.6 | K656 V658 | D622-K656 PolarHBondContact N-O 2.75Å; D622-K656 PolarHBondContact O-N 3.2Å; D622-V658 HydrophobicContact CB-CG2 3.46Å; D622-V658 VanDerWaalsContact CB-CG2 3.46Å |
| 623 | G | 81.7 | Confident | 84.4 | Confident | 58 Ų | 58 | 59.7 Ų | 59.7 | 60% | 0.598 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 95 | -125.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | C654 | G623-C654 WeakPolarHBondContact CA-O 3.48Å |
| 624 | V | 81.5 | Confident | 84.4 | Confident | 17 Ų | 17 | 57.9 Ų | 57.9 | 10% | 0.103 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -58.7 | 141.4 | -179 | 174.3 | 0 | 0 | 0 | 0 | 111.6 | F626 A649 E651 C654 V689 | V624-F626 PolarHBondContact O-N 3.38Å; V624-A649 HydrophobicContact CG1-CB 4.17Å; V624-E651 HydrophobicContact CG1-CB 4.44Å; V624-E651 WeakPolarHBondContact CG1-O 3.46Å; V624-C654 PolarHBondContact N-O 2.87Å; V624-V689 HydrophobicContact CB-CG2 4.43Å; V624-V689 HydrophobicContact CG1-CG2 4.38Å; V624-V689 HydrophobicContact CG2-CG2 4.29Å |
| 625 | A | 76.7 | Confident | 84.3 | Confident | 59 Ų | 59 | 57.6 Ų | 57.6 | 49% | 0.488 | 33% | 0.334 | S | S | . | . | trans | -58.3 | 106.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | C650 | A625-C650 HydrophobicContact CB-CB 4.42Å; A625-C650 PolarHBondContact O-N 2.9Å; A625-C650 VanDerWaalsContact O-N 3.07Å | ||
| 626 | F | 82.3 | Confident | 84.2 | Confident | 29 Ų | 29 | 58.9 Ų | 58.9 | 13% | 0.127 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 115.5 | -178.5 | -173 | -113 | 0 | 0 | 0 | 109.3 | F556 V600 C621 V624 V628 G647 A649 L655 | F556-F626 HydrophobicContact CE1-CE1 4.3Å; F556-F626 HydrophobicContact CE1-CZ 4.26Å; V600-F626 HydrophobicContact CG2-CE1 4.08Å; V600-F626 HydrophobicContact CG2-CZ 3.92Å; C621-F626 HydrophobicContact CB-CD1 4.48Å; V624-F626 PolarHBondContact O-N 3.38Å; F626-V628 HydrophobicContact CD1-CG2 3.52Å; F626-V628 HydrophobicContact CE1-CG2 3.17Å; F626-V628 HydrophobicContact CZ-CG2 4.06Å; F626-G647 VanDerWaalsContact CE2-C 3.44Å; F626-A649 HydrophobicContact CD2-CB 4.01Å; F626-L655 HydrophobicContact CB-CD1 3.54Å; F626-L655 HydrophobicContact CB-CD2 3.98Å; F626-L655 HydrophobicContact CB-CG 4.43Å; F626-L655 HydrophobicContact CD1-CD1 4.49Å; F626-L655 HydrophobicContact CD1-CD2 4.05Å; F626-L655 HydrophobicContact CD2-CD2 3.64Å; F626-L655 HydrophobicContact CE1-CD2 4.41Å; F626-L655 HydrophobicContact CE2-CD2 4.06Å; F626-L655 HydrophobicContact CG-CD1 4.07Å; F626-L655 HydrophobicContact CG-CD2 3.64Å; F626-L655 HydrophobicContact CZ-CD2 4.42Å |
| 627 | S | 78.1 | Confident | 84.2 | Confident | 83 Ų | 83 | 56.3 Ų | 56.3 | 58% | 0.58 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 120.6 | 178.2 | -174.9 | 0 | 0 | 0 | 0 | 109.1 | G647 K648 | S627-G647 CarbonylContact O-C 3.58Å; S627-G647 WeakPolarHBondContact O-CA 3.42Å; S627-K648 PolarHBondContact N-O 3.46Å; S627-K648 VanDerWaalsContact N-O 3.09Å; S627-K648 PolarHBondContact O-N 3.43Å |
| 628 | V | 82.1 | Confident | 83.7 | Confident | 11 Ų | 11 | 60.4 Ų | 60.4 | 7% | 0.067 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 135.3 | 172.4 | -177.6 | 0 | 0 | 0 | 0 | 108.1 | L619 F626 P630 F645 | L619-V628 HydrophobicContact CB-CG2 4.39Å; L619-V628 HydrophobicContact CD1-CG2 4.45Å; F626-V628 HydrophobicContact CD1-CG2 3.52Å; F626-V628 HydrophobicContact CE1-CG2 3.17Å; F626-V628 HydrophobicContact CZ-CG2 4.06Å; V628-P630 WeakPolarHBondContact O-CD 3.46Å; V628-F645 HydrophobicContact CG1-CB 3.97Å; V628-F645 HydrophobicContact CG1-CD1 4.37Å |
| 629 | E | 78.5 | Confident | 83.5 | Confident | 143 Ų | 143 | 60.3 Ų | 60.3 | 67% | 0.668 | 36% | 0.356 | S | S | * | . | trans | -76.7 | 123.6 | 174.4 | -69.1 | -174.5 | 175.1 | 0 | 0 | 110.1 | Q646 | E629-Q646 PolarHBondContact N-O 2.67Š| ||
| 630 | P | 77.6 | Confident | 83.5 | Confident | 78 Ų | 78 | 67.1 Ų | 67.1 | 51% | 0.506 | 39% | 0.385 | S | S | . | . | trans | -63.9 | 140.6 | 178 | 25.3 | -32.4 | 0 | 0 | 0 | 110.1 | F617 D618 V628 | F617-P630 WeakPolarHBondContact O-CA 3.48Å; D618-P630 HydrophobicContact CB-CB 4.44Å; V628-P630 WeakPolarHBondContact O-CD 3.46Å | ||
| 631 | R | 81.1 | Confident | 83.6 | Confident | 121 Ų | 121 | 67.6 Ų | 67.6 | 46% | 0.457 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 139.2 | -175.7 | -164.5 | 178.5 | 174.9 | -175 | 1.6 | 112 | F617 L633 Q644 F645 | F617-R631 WeakPolarHBondContact CB-O 3.32Å; F617-R631 PolarHBondContact N-O 3.14Å; F617-R631 VanDerWaalsContact N-O 3.1Å; F617-R631 PolarHBondContact O-N 2.04Å; F617-R631 VanDerWaalsContact O-N 3.16Å; R631-L633 HydrophobicContact CG-CD2 4.13Å; R631-L633 HydrophobicContact CG-CG 4.42Å; R631-Q644 PolarHBondContact NH1-O 3.29Å; R631-Q644 VanDerWaalsContact NH1-O 3.11Å; R631-F645 HydrophobicContact CB-CD1 4.13Å; R631-F645 HydrophobicContact CB-CE1 3.71Å |
| 632 | D | 87.3 | Confident | 83.6 | Confident | 108 Ų | 108 | 69.4 Ų | 69.4 | 58% | 0.578 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 133.9 | 168.7 | -66.6 | -16.5 | 0 | 0 | 0 | 110.1 | I614 S615 N616 | I614-D632 WeakPolarHBondContact O-CA 3.1Å; S615-D632 WeakPolarHBondContact CA-OD1 3.46Å; S615-D632 WeakPolarHBondContact CB-OD1 3.45Å; N616-D632 PolarHBondContact N-OD1 3.24Å |
| 633 | L | 88.3 | Confident | 83.8 | Confident | 12 Ų | 12 | 64.5 Ų | 64.5 | 6% | 0.063 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 142.5 | -171.4 | -62.7 | 167.9 | 0 | 0 | 0 | 110.1 | L604 I614 F617 R631 C643 F645 | L604-L633 HydrophobicContact CD1-CD1 3.84Å; I614-L633 HydrophobicContact CB-CB 4.31Å; I614-L633 PolarHBondContact N-O 2.72Å; I614-L633 PolarHBondContact O-N 2.82Å; I614-L633 VanDerWaalsContact O-O 3.09Å; F617-L633 HydrophobicContact CB-CD1 4.2Å; F617-L633 HydrophobicContact CG-CD1 4.34Å; R631-L633 HydrophobicContact CG-CD2 4.13Å; R631-L633 HydrophobicContact CG-CG 4.42Å; L633-C643 HydrophobicContact CD1-CB 4.39Å; L633-C643 HydrophobicContact CD2-CB 4.45Å; L633-F645 HydrophobicContact CD1-CE1 4.44Å; L633-F645 HydrophobicContact CD1-CZ 3.75Å |
| 634 | I | 90 | Very high | 83.9 | Confident | 107 Ų | 107 | 66.3 Ų | 66.3 | 55% | 0.549 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 114.8 | 169.1 | -57 | 178.2 | 0 | 0 | 0 | 106.6 | A611 Q613 P636 | A611-I634 HydrophobicContact CB-CG2 4.46Å; Q613-I634 HydrophobicContact CG-CG1 4.4Å; I634-P636 WeakPolarHBondContact O-CD 3.47Å |
| 635 | V | 86.6 | Confident | 84.1 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 109.4 | 176.9 | -169.4 | 0 | 0 | 0 | 0 | 108.2 | L604 N606 L612 I614 L641 | L604-V635 HydrophobicContact CB-CG2 4.36Å; L604-V635 HydrophobicContact CD1-CG2 4.1Å; N606-V635 HydrophobicContact CB-CB 4.04Å; N606-V635 HydrophobicContact CB-CG1 3.47Å; N606-V635 VanDerWaalsContact CB-CG1 3.47Å; N606-V635 PolarHBondContact ND2-O 3.14Å; L612-V635 PolarHBondContact N-O 3.12Å; L612-V635 PolarHBondContact O-N 2.97Å; I614-V635 HydrophobicContact CD1-CG2 3.56Å; V635-L641 HydrophobicContact CG1-CB 4.2Å; V635-L641 HydrophobicContact CG2-CD2 4.18Å |
| 636 | P | 87.4 | Confident | 84.4 | Confident | 62 Ų | 62 | 68.4 Ų | 68.4 | 40% | 0.403 | 36% | 0.36 | S | S | . | . | trans | -59.4 | 158.6 | -177.8 | -21.9 | 31.9 | 0 | 0 | 0 | 113.1 | N606 I634 N638 T639 | N606-P636 PolarHBondContact ND2-O 3.31Å; I634-P636 WeakPolarHBondContact O-CD 3.47Å; P636-N638 PolarHBondContact O-N 2.98Å; P636-T639 HydrophobicContact CB-CG2 3.88Å; P636-T639 WeakPolarHBondContact CB-OG1 3.39Å; P636-T639 WeakPolarHBondContact CD-OG1 3.4Å; P636-T639 PolarHBondContact O-N 3.32Å; P636-T639 PolarHBondContact O-OG1 3.21Å | ||
| 637 | A | 84.7 | Confident | 84.3 | Confident | 36 Ų | 36 | 67.2 Ų | 67.2 | 30% | 0.298 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 135.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | T608 S609 T639 | T608-A637 CarbonylContact O-C 3.58Å; T608-A637 VanDerWaalsContact O-CA 3.25Å; T608-A637 WeakPolarHBondContact O-CA 3.36Å; T608-A637 WeakPolarHBondContact O-CB 3.4Å; S609-A637 VanDerWaalsContact C-CB 3.41Å; A637-T639 WeakPolarHBondContact O-CG2 3.44Å; A637-T639 PolarHBondContact O-N 3.08Å |
| 638 | N | 80.2 | Confident | 84.4 | Confident | 87 Ų | 87 | 67.8 Ų | 67.8 | 47% | 0.465 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 31.3 | 178.5 | -62.6 | -44.8 | 0 | 0 | 0 | 115 | N606 P607 T608 P636 | N606-N638 CarbonylContact O-C 3.57Å; N606-N638 WeakPolarHBondContact O-CA 3.37Å; N606-N638 PolarHBondContact O-N 3.07Å; N606-N638 VanDerWaalsContact O-N 3.12Å; P607-N638 PolarHBondContact O-OD1 3.1Å; T608-N638 PolarHBondContact O-N 3.12Å; T608-N638 PolarHBondContact O-OD1 3.22Å; P636-N638 PolarHBondContact O-N 2.98Å |
| 639 | T | 84.8 | Confident | 84.2 | Confident | 51 Ų | 51 | 67.3 Ų | 67.3 | 31% | 0.313 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 162.7 | -178.7 | 62.9 | 0 | 0 | 0 | 0 | 113.5 | A605 N606 P636 A637 | A605-T639 WeakPolarHBondContact CA-O 3.32Å; N606-T639 PolarHBondContact N-O 3.44Å; N606-T639 PolarHBondContact O-N 3.03Å; P636-T639 HydrophobicContact CB-CG2 3.88Å; P636-T639 WeakPolarHBondContact CB-OG1 3.39Å; P636-T639 WeakPolarHBondContact CD-OG1 3.4Å; P636-T639 PolarHBondContact O-N 3.32Å; P636-T639 PolarHBondContact O-OG1 3.21Å; A637-T639 WeakPolarHBondContact O-CG2 3.44Å; A637-T639 PolarHBondContact O-N 3.08Å |
| 640 | K | 88 | Confident | 83.9 | Confident | 153 Ų | 153 | 64.2 Ų | 64.2 | 67% | 0.665 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 127.3 | 165.7 | -62.6 | 178.5 | -177 | 174.2 | 0 | 108.3 | L604 A605 | L604-K640 CarbonylContact O-C 3.57Å; L604-K640 VanDerWaalsContact O-CA 3.27Å; L604-K640 WeakPolarHBondContact O-CA 3.4Å; A605-K640 HydrophobicContact CB-CG 4.11Å |
| 641 | L | 88.5 | Confident | 83.6 | Confident | 57 Ų | 57 | 66.8 Ų | 66.8 | 30% | 0.298 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 125 | 178.8 | -176.7 | 66.1 | 0 | 0 | 0 | 109.1 | L604 V635 | L604-L641 PolarHBondContact N-O 3.4Å; L604-L641 PolarHBondContact O-N 2.98Å; V635-L641 HydrophobicContact CG1-CB 4.2Å; V635-L641 HydrophobicContact CG2-CD2 4.18Å |
| 642 | V | 88 | Confident | 82.9 | Confident | 79 Ų | 79 | 63.7 Ų | 63.7 | 48% | 0.479 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 114.4 | 171.9 | -177.8 | 0 | 0 | 0 | 0 | 107.8 | E601 T603 | E601-V642 HydrophobicContact CG-CG1 3.44Å; E601-V642 VanDerWaalsContact CG-CG1 3.44Å; T603-V642 HydrophobicContact CG2-CG2 4.24Å |
| 643 | C | 85.7 | Confident | 82.2 | Confident | 4 Ų | 4 | 60 Ų | 60 | 3% | 0.027 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 134.7 | -179.3 | -60.1 | 0 | 0 | 0 | 0 | 109.6 | E601 V602 L633 F645 | E601-C643 WeakPolarHBondContact CA-O 3.36Å; V602-C643 PolarHBondContact N-O 2.8Å; V602-C643 PolarHBondContact O-N 2.89Å; L633-C643 HydrophobicContact CD1-CB 4.39Å; L633-C643 HydrophobicContact CD2-CB 4.45Å; C643-F645 HydrophobicContact CB-CD2 4.3Å; C643-F645 HydrophobicContact CB-CE2 3.58Å; C643-F645 HydrophobicContact CB-CZ 4.17Å |
| 644 | Q | 85.2 | Confident | 81.8 | Confident | 96 Ų | 96 | 62.9 Ų | 62.9 | 45% | 0.449 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 126.7 | 170.4 | -66.9 | 176.5 | -2.6 | 0 | 0 | 108.7 | V600 R631 | V600-Q644 WeakPolarHBondContact O-CA 3.34Å; R631-Q644 PolarHBondContact NH1-O 3.29Å; R631-Q644 VanDerWaalsContact NH1-O 3.11Å |
| 645 | F | 85.5 | Confident | 81.4 | Confident | 3 Ų | 3 | 57.8 Ų | 57.8 | 1% | 0.013 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 137.2 | 176.1 | -66 | -94 | 0 | 0 | 0 | 108.7 | T599 V600 V602 F617 V628 R631 L633 C643 | T599-F645 CarbonylContact C-O 3.51Å; T599-F645 WeakPolarHBondContact CA-O 3.31Å; V600-F645 HydrophobicContact CB-CB 4.44Å; V600-F645 PolarHBondContact N-O 3.43Å; V600-F645 PolarHBondContact O-N 2.81Å; V602-F645 HydrophobicContact CB-CD2 4.17Å; V602-F645 HydrophobicContact CB-CE2 3.77Å; V602-F645 HydrophobicContact CG2-CD2 3.66Å; V602-F645 HydrophobicContact CG2-CE2 3.64Å; F617-F645 HydrophobicContact CB-CE1 4.23Å; F617-F645 HydrophobicContact CB-CZ 4.27Å; F617-F645 HydrophobicContact CD1-CD1 4.47Å; F617-F645 AromaticContact CD1-CE1 3.45Å; F617-F645 HydrophobicContact CD1-CE1 3.45Å; F617-F645 VanDerWaalsContact CD1-CE1 3.45Å; F617-F645 AromaticContact CD1-CE2 3.97Å; F617-F645 HydrophobicContact CD1-CE2 3.97Å; F617-F645 AromaticContact CD1-CZ 3.13Å; F617-F645 HydrophobicContact CD1-CZ 3.13Å; F617-F645 HydrophobicContact CE1-CE1 4.2Å; F617-F645 AromaticContact CE1-CE2 3.94Å; F617-F645 HydrophobicContact CE1-CE2 3.94Å; F617-F645 AromaticContact CE1-CZ 3.57Å; F617-F645 HydrophobicContact CE1-CZ 3.57Å; F617-F645 HydrophobicContact CG-CE1 4.18Å; F617-F645 AromaticContact CG-CZ 3.84Å; F617-F645 HydrophobicContact CG-CZ 3.84Å; V628-F645 HydrophobicContact CG1-CB 3.97Å; V628-F645 HydrophobicContact CG1-CD1 4.37Å; R631-F645 HydrophobicContact CB-CD1 4.13Å; R631-F645 HydrophobicContact CB-CE1 3.71Å; L633-F645 HydrophobicContact CD1-CE1 4.44Å; L633-F645 HydrophobicContact CD1-CZ 3.75Å; C643-F645 HydrophobicContact CB-CD2 4.3Å; C643-F645 HydrophobicContact CB-CE2 3.58Å; C643-F645 HydrophobicContact CB-CZ 4.17Å |
| 646 | Q | 81.9 | Confident | 81.2 | Confident | 117 Ų | 117 | 61.5 Ų | 61.5 | 55% | 0.547 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 130.7 | 174.8 | -69.4 | -175.2 | -2.9 | 0 | 0 | 108.8 | T597 T598 E629 | T597-Q646 HydrophobicContact CG2-CB 3.79Å; T597-Q646 HydrophobicContact CG2-CG 4.26Å; T598-Q646 WeakPolarHBondContact O-CA 3.29Å; E629-Q646 PolarHBondContact N-O 2.67Å |
| 647 | G | 80.8 | Confident | 81.1 | Confident | 3 Ų | 3 | 58.8 Ų | 58.8 | 3% | 0.031 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 147.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | T598 F626 S627 | T598-G647 PolarHBondContact N-O 2.81Å; T598-G647 PolarHBondContact O-N 3.18Å; T598-G647 PolarHBondContact OG1-O 2.98Å; F626-G647 VanDerWaalsContact CE2-C 3.44Å; S627-G647 CarbonylContact O-C 3.58Å; S627-G647 WeakPolarHBondContact O-CA 3.42Å |
| 648 | K | 80.4 | Confident | 81.1 | Confident | 96 Ų | 96 | 59.2 Ų | 59.2 | 42% | 0.417 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 128.6 | -176.9 | 174.6 | 167.3 | 164 | 157 | 0 | 110.5 | G595 S627 | G595-K648 WeakPolarHBondContact O-CD 3.42Å; G595-K648 WeakPolarHBondContact O-CE 3.49Å; G595-K648 PolarHBondContact O-NZ 3.32Å; S627-K648 PolarHBondContact N-O 3.46Å; S627-K648 VanDerWaalsContact N-O 3.09Å; S627-K648 PolarHBondContact O-N 3.43Å |
| 649 | A | 78.9 | Confident | 81.5 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 132.1 | 171 | 0 | 0 | 0 | 0 | 0 | 109.4 | G595 V624 F626 V689 | G595-A649 PolarHBondContact N-O 2.8Å; V624-A649 HydrophobicContact CG1-CB 4.17Å; F626-A649 HydrophobicContact CD2-CB 4.01Å; A649-V689 HydrophobicContact CB-CG1 3.72Å; A649-V689 HydrophobicContact CB-CG2 4.05Å |
| 650 | C | 71.5 | Confident | 81.8 | Confident | 78 Ų | 78 | 52.7 Ų | 52.7 | 53% | 0.527 | 29% | 0.285 | S | S | . | . | trans | -84.5 | -31.6 | -176.6 | -67.3 | 0 | 0 | 0 | 0 | 113.3 | A625 | A625-C650 HydrophobicContact CB-CB 4.42Å; A625-C650 PolarHBondContact O-N 2.9Å; A625-C650 VanDerWaalsContact O-N 3.07Å | ||
| 651 | E | 71.8 | Confident | 81.9 | Confident | 133 Ų | 133 | 47 Ų | 47 | 62% | 0.621 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -134.9 | 163.4 | -168.8 | -62.4 | 178.5 | -173.7 | 0 | 0 | 110.9 | V624 V689 | V624-E651 HydrophobicContact CG1-CB 4.44Å; V624-E651 WeakPolarHBondContact CG1-O 3.46Å; E651-V689 VanDerWaalsContact O-CG1 3.25Å; E651-V689 WeakPolarHBondContact O-CG1 3.36Å |
| 652 | A | 66 | Low | 82.1 | Confident | 56 Ų | 56 | 44.5 Ų | 44.5 | 46% | 0.463 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -78.3 | 144.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | V689 | A652-V689 CarbonylContact C-O 3.46Å; A652-V689 WeakPolarHBondContact CA-O 3.27Å; A652-V689 VanDerWaalsContact CB-O 3.28Å; A652-V689 WeakPolarHBondContact CB-O 3.46Å |
| 653 | G | 72.8 | Confident | 82.2 | Confident | 29 Ų | 29 | 42.9 Ų | 42.9 | 30% | 0.299 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 152.4 | -168.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q688 V689 | G653-Q688 CarbonylContact O-C 3.46Å; G653-V689 PolarHBondContact N-O 2.95Å; G653-V689 PolarHBondContact O-N 3.38Å |
| 654 | C | 78.8 | Confident | 82.3 | Confident | 73 Ų | 73 | 43 Ų | 43 | 49% | 0.493 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 132.2 | 178.3 | -174.3 | 0 | 0 | 0 | 0 | 111.4 | G623 V624 | G623-C654 WeakPolarHBondContact CA-O 3.48Å; V624-C654 PolarHBondContact N-O 2.87Å |
| 655 | L | 81.6 | Confident | 82.4 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 128.8 | 177.1 | 177.9 | 64.6 | 0 | 0 | 0 | 110.1 | F556 L592 C621 F626 S686 T687 V689 | F556-L655 HydrophobicContact CE1-CD2 3.7Å; F556-L655 HydrophobicContact CE1-CG 4.48Å; F556-L655 HydrophobicContact CZ-CD2 3.73Å; F556-L655 HydrophobicContact CZ-CG 4Å; L592-L655 HydrophobicContact CD1-CD2 3.79Å; C621-L655 HydrophobicContact CB-CD1 3.84Å; F626-L655 HydrophobicContact CB-CD1 3.54Å; F626-L655 HydrophobicContact CB-CD2 3.98Å; F626-L655 HydrophobicContact CB-CG 4.43Å; F626-L655 HydrophobicContact CD1-CD1 4.49Å; F626-L655 HydrophobicContact CD1-CD2 4.05Å; F626-L655 HydrophobicContact CD2-CD2 3.64Å; F626-L655 HydrophobicContact CE1-CD2 4.41Å; F626-L655 HydrophobicContact CE2-CD2 4.06Å; F626-L655 HydrophobicContact CG-CD1 4.07Å; F626-L655 HydrophobicContact CG-CD2 3.64Å; F626-L655 HydrophobicContact CZ-CD2 4.42Å; L655-S686 CarbonylContact O-C 3.37Å; L655-S686 VanDerWaalsContact O-CA 3.28Å; L655-S686 WeakPolarHBondContact O-CA 3.49Å; L655-T687 HydrophobicContact CB-CG2 4.19Å; L655-T687 HydrophobicContact CD2-CG2 4.45Å; L655-T687 PolarHBondContact N-O 2.91Å; L655-T687 PolarHBondContact O-N 2.84Å; L655-V689 HydrophobicContact CB-CG2 4.12Å |
| 656 | K | 83.6 | Confident | 82.3 | Confident | 78 Ų | 78 | 40.7 Ų | 40.7 | 34% | 0.339 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 134.6 | 178.9 | -175.3 | -177.8 | 176.3 | -172.5 | 0 | 112.1 | C621 D622 R685 | C621-K656 CarbonylContact C-O 3.6Å; C621-K656 VanDerWaalsContact CA-O 3.27Å; C621-K656 WeakPolarHBondContact CA-O 3.29Å; D622-K656 PolarHBondContact N-O 2.75Å; D622-K656 PolarHBondContact O-N 3.2Å; K656-R685 WeakPolarHBondContact CA-O 3.26Å |
| 657 | I | 84.9 | Confident | 82.7 | Confident | 6 Ų | 6 | 35.1 Ų | 35.1 | 3% | 0.031 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 121.6 | 171.2 | -52 | 179 | 0 | 0 | 0 | 109.4 | I554 F556 V600 L673 R685 | I554-I657 HydrophobicContact CD1-CG2 4.49Å; I554-I657 HydrophobicContact CG2-CD1 3.43Å; I554-I657 VanDerWaalsContact CG2-CD1 3.43Å; F556-I657 HydrophobicContact CD2-CD1 4.39Å; F556-I657 HydrophobicContact CE1-CD1 4.07Å; F556-I657 HydrophobicContact CE1-CG1 4.32Å; F556-I657 HydrophobicContact CE2-CD1 3.67Å; F556-I657 HydrophobicContact CE2-CG1 3.68Å; F556-I657 HydrophobicContact CZ-CD1 3.49Å; F556-I657 VanDerWaalsContact CZ-CD1 3.49Å; F556-I657 HydrophobicContact CZ-CG1 3.39Å; V600-I657 HydrophobicContact CG1-CD1 4.15Å; I657-L673 HydrophobicContact CB-CD1 4.36Å; I657-L673 HydrophobicContact CG2-CD1 3.85Å; I657-L673 WeakPolarHBondContact O-CD1 3.36Å; I657-R685 PolarHBondContact N-O 3.35Å |
| 658 | V | 84.7 | Confident | 83.1 | Confident | 44 Ų | 44 | 37.9 Ų | 37.9 | 27% | 0.267 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | -29.7 | -177 | -176.9 | 0 | 0 | 0 | 0 | 112.1 | C620 D622 L673 | C620-V658 PolarHBondContact O-N 3.35Å; D622-V658 HydrophobicContact CB-CG2 3.46Å; D622-V658 VanDerWaalsContact CB-CG2 3.46Å; V658-L673 WeakPolarHBondContact O-CB 3.44Å; V658-L673 PolarHBondContact O-N 2.89Å |
| 659 | G | 88.1 | Confident | 83.5 | Confident | 2 Ų | 2 | 33.3 Ų | 33.3 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.8 | -173.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | C620 C671 | C620-G659 PolarHBondContact N-O 3.19Å; C620-G659 PolarHBondContact O-N 3.08Å; C620-G659 VanDerWaalsContact O-N 3.16Å; G659-C671 CarbonylContact C-O 3.53Å; G659-C671 WeakPolarHBondContact CA-O 2.94Å |
| 660 | Y | 90.3 | Very high | 83.9 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 151.4 | 173.1 | 57.1 | -87 | 0 | 0 | 0 | 110.1 | V551 I554 F617 D618 F662 C671 L673 I676 | V551-Y660 HydrophobicContact CB-CE1 4.19Å; V551-Y660 HydrophobicContact CG2-CD1 4.36Å; V551-Y660 HydrophobicContact CG2-CD2 4.18Å; V551-Y660 HydrophobicContact CG2-CE1 3.79Å; V551-Y660 HydrophobicContact CG2-CE2 3.58Å; I554-Y660 HydrophobicContact CD1-CD1 4.35Å; F617-Y660 HydrophobicContact CE2-CD2 4.18Å; F617-Y660 HydrophobicContact CZ-CD2 4.25Å; F617-Y660 HydrophobicContact CZ-CG 4.39Å; D618-Y660 WeakPolarHBondContact O-CA 3.5Å; Y660-F662 AromaticContact CD2-CD1 3.87Å; Y660-F662 HydrophobicContact CD2-CD1 3.87Å; Y660-F662 HydrophobicContact CD2-CE1 4.09Å; Y660-F662 AromaticContact CE2-CD1 3.99Å; Y660-F662 HydrophobicContact CE2-CD1 3.99Å; Y660-F662 AromaticContact CE2-CE1 3.72Å; Y660-F662 HydrophobicContact CE2-CE1 3.72Å; Y660-C671 HydrophobicContact CD1-CB 4.17Å; Y660-C671 HydrophobicContact CD2-CB 4.03Å; Y660-C671 HydrophobicContact CE1-CB 3.7Å; Y660-C671 HydrophobicContact CE2-CB 3.55Å; Y660-C671 HydrophobicContact CG-CB 4.31Å; Y660-C671 PolarHBondContact N-O 2.91Å; Y660-C671 PolarHBondContact O-N 3.06Å; Y660-L673 HydrophobicContact CD1-CD2 4.17Å; Y660-L673 HydrophobicContact CE1-CD2 4.08Å; Y660-I676 HydrophobicContact CE1-CD1 3.99Å; Y660-I676 WeakPolarHBondContact OH-CD1 3.28Å |
| 661 | T | 90.6 | Very high | 84.7 | Confident | 34 Ų | 34 | 31.8 Ų | 31.8 | 21% | 0.209 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 143.8 | 176.7 | 53.2 | 0 | 0 | 0 | 0 | 110.3 | F617 D618 S669 V670 | F617-T661 WeakPolarHBondContact CA-O 3.14Å; D618-T661 PolarHBondContact N-O 3.27Å; D618-T661 PolarHBondContact O-N 2.88Å; T661-S669 WeakPolarHBondContact CA-O 3.43Å; T661-V670 HydrophobicContact CG2-CB 4.17Å; T661-V670 HydrophobicContact CG2-CG1 3.92Å; T661-V670 HydrophobicContact CG2-CG2 3.84Å |
| 662 | F | 92.1 | Very high | 85.4 | Confident | 4 Ų | 4 | 33.7 Ų | 33.7 | 2% | 0.018 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 162 | 176 | 67.3 | -80.5 | 0 | 0 | 0 | 110.4 | I545 L548 P549 I614 F617 Y660 T664 S669 | I545-F662 HydrophobicContact CB-CZ 3.86Å; I545-F662 HydrophobicContact CG2-CE2 4.46Å; I545-F662 HydrophobicContact CG2-CZ 3.96Å; I545-F662 WeakPolarHBondContact O-CZ 3.31Å; L548-F662 WeakPolarHBondContact O-CE2 3.4Å; P549-F662 VanDerWaalsContact CD-CE2 3.45Å; I614-F662 HydrophobicContact CG2-CB 3.81Å; I614-F662 HydrophobicContact CG2-CD2 4.07Å; I614-F662 HydrophobicContact CG2-CG 4.3Å; F617-F662 HydrophobicContact CB-CB 4.42Å; F617-F662 HydrophobicContact CD2-CB 3.81Å; F617-F662 HydrophobicContact CD2-CG 4.41Å; F617-F662 HydrophobicContact CG-CB 4.43Å; Y660-F662 AromaticContact CD2-CD1 3.87Å; Y660-F662 HydrophobicContact CD2-CD1 3.87Å; Y660-F662 HydrophobicContact CD2-CE1 4.09Å; Y660-F662 AromaticContact CE2-CD1 3.99Å; Y660-F662 HydrophobicContact CE2-CD1 3.99Å; Y660-F662 AromaticContact CE2-CE1 3.72Å; Y660-F662 HydrophobicContact CE2-CE1 3.72Å; F662-T664 HydrophobicContact CD2-CG2 4.22Å; F662-T664 HydrophobicContact CE2-CG2 3.67Å; F662-S669 PolarHBondContact N-O 3.33Å; F662-S669 VanDerWaalsContact N-O 3.17Å; F662-S669 PolarHBondContact O-N 3.17Å |
| 663 | Q | 90.4 | Very high | 86.1 | Confident | 45 Ų | 45 | 31.5 Ų | 31.5 | 21% | 0.21 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 131.4 | 172 | 176.7 | 179.9 | -16.6 | 0 | 0 | 110.1 | I614 S615 V667 | I614-Q663 WeakPolarHBondContact CA-O 3.2Å; S615-Q663 PolarHBondContact N-O 2.92Å; S615-Q663 PolarHBondContact O-N 2.89Å; S615-Q663 WeakPolarHBondContact OG-CB 3.49Å; Q663-V667 WeakPolarHBondContact CA-O 3.39Å |
| 664 | T | 89.5 | Confident | 86.3 | Confident | 5 Ų | 5 | 35.4 Ų | 35.4 | 3% | 0.031 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 146.7 | 172 | -164.1 | 0 | 0 | 0 | 0 | 110.6 | I545 L612 Q613 F662 G666 V667 | I545-T664 HydrophobicContact CD1-CG2 4.45Å; L612-T664 VanDerWaalsContact CD1-OG1 3.28Å; L612-T664 WeakPolarHBondContact CD1-OG1 3.38Å; L612-T664 WeakPolarHBondContact CG-OG1 3.38Å; Q613-T664 PolarHBondContact O-OG1 3.33Å; F662-T664 HydrophobicContact CD2-CG2 4.22Å; F662-T664 HydrophobicContact CE2-CG2 3.67Å; T664-G666 PolarHBondContact O-N 2.91Å; T664-V667 PolarHBondContact N-O 3.11Å; T664-V667 PolarHBondContact O-N 3.4Å |
| 665 | L | 87 | Confident | 86 | Confident | 34 Ų | 34 | 35.7 Ų | 35.7 | 18% | 0.178 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 30.2 | -178.3 | -53 | 173 | 0 | 0 | 0 | 113.2 | L498 C514 L517 L612 V667 | L498-L665 HydrophobicContact CD1-CD1 4.26Å; C514-L665 HydrophobicContact CB-CD1 4.43Å; C514-L665 HydrophobicContact CB-CD2 4.06Å; L517-L665 HydrophobicContact CD2-CB 3.95Å; L517-L665 HydrophobicContact CD2-CD1 4.02Å; L517-L665 HydrophobicContact CG-CB 4.29Å; L612-L665 HydrophobicContact CD1-CG 4.42Å; L665-V667 VanDerWaalsContact C-N 3.29Å; L665-V667 PolarHBondContact O-N 3.44Å |
| 666 | G | 83.5 | Confident | 85.8 | Confident | 18 Ų | 18 | 36 Ų | 36 | 19% | 0.186 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | C521 P525 V526 T664 | C521-G666 WeakPolarHBondContact CB-O 3.19Å; P525-G666 VanDerWaalsContact CA-O 3.27Å; P525-G666 WeakPolarHBondContact CA-O 3.03Å; V526-G666 PolarHBondContact N-O 2.8Å; V526-G666 VanDerWaalsContact N-O 3.11Å; T664-G666 PolarHBondContact O-N 2.91Å |
| 667 | V | 88.8 | Confident | 85.2 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 132.3 | 179.8 | -177.7 | 0 | 0 | 0 | 0 | 110.5 | I491 L495 L517 V526 V528 I545 Q663 T664 L665 | I491-V667 HydrophobicContact CG2-CG2 4.4Å; L495-V667 HydrophobicContact CD2-CG1 4.18Å; L517-V667 HydrophobicContact CD1-CG2 4.17Å; L517-V667 HydrophobicContact CD2-CG2 4.27Å; L517-V667 HydrophobicContact CG-CG2 4.3Å; V526-V667 WeakPolarHBondContact O-CA 3.39Å; V526-V667 WeakPolarHBondContact O-CG1 3.43Å; V528-V667 HydrophobicContact CB-CG1 4.32Å; V528-V667 HydrophobicContact CG1-CG1 3.79Å; V528-V667 HydrophobicContact CG2-CG1 3.57Å; I545-V667 HydrophobicContact CD1-CB 4.21Å; I545-V667 HydrophobicContact CD1-CG1 3.86Å; Q663-V667 WeakPolarHBondContact CA-O 3.39Å; T664-V667 PolarHBondContact N-O 3.11Å; T664-V667 PolarHBondContact O-N 3.4Å; L665-V667 VanDerWaalsContact C-N 3.29Å; L665-V667 PolarHBondContact O-N 3.44Å |
| 668 | I | 90 | Very high | 84.8 | Confident | 60 Ų | 60 | 40 Ų | 40 | 31% | 0.308 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 121.1 | 172.8 | -56.4 | 173.5 | 0 | 0 | 0 | 108.4 | P525 V526 A527 | P525-I668 HydrophobicContact CB-CD1 3.67Å; P525-I668 HydrophobicContact CB-CG1 3.72Å; V526-I668 PolarHBondContact O-N 2.96Å; A527-I668 HydrophobicContact CB-CB 4.37Å |
| 669 | S | 88.3 | Confident | 84.2 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 135.1 | 177.6 | -173.3 | 0 | 0 | 0 | 0 | 111 | I545 T661 F662 C671 | I545-S669 WeakPolarHBondContact CB-OG 3.41Å; I545-S669 PolarHBondContact N-OG 3.34Å; T661-S669 WeakPolarHBondContact CA-O 3.43Å; F662-S669 PolarHBondContact N-O 3.33Å; F662-S669 VanDerWaalsContact N-O 3.17Å; F662-S669 PolarHBondContact O-N 3.17Å; S669-C671 PolarHBondContact OG-SG 2.68Å; S669-C671 VanDerWaalsContact OG-SG 3.35Å |
| 670 | V | 88.6 | Confident | 83.1 | Confident | 45 Ų | 45 | 44.3 Ų | 44.3 | 27% | 0.273 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 116.3 | 171.5 | -176.4 | 0 | 0 | 0 | 0 | 107.5 | N529 S544 T661 | N529-V670 HydrophobicContact CB-CB 4.24Å; N529-V670 HydrophobicContact CB-CG2 4.39Å; S544-V670 PolarHBondContact OG-O 2.83Å; T661-V670 HydrophobicContact CG2-CB 4.17Å; T661-V670 HydrophobicContact CG2-CG1 3.92Å; T661-V670 HydrophobicContact CG2-CG2 3.84Å |
| 671 | C | 86.6 | Confident | 81.5 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.007 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 121.6 | -176.5 | -65.8 | 0 | 0 | 0 | 0 | 109.8 | I545 G659 Y660 S669 I676 | I545-C671 PolarHBondContact O-SG 3.39Å; G659-C671 CarbonylContact C-O 3.53Å; G659-C671 WeakPolarHBondContact CA-O 2.94Å; Y660-C671 HydrophobicContact CD1-CB 4.17Å; Y660-C671 HydrophobicContact CD2-CB 4.03Å; Y660-C671 HydrophobicContact CE1-CB 3.7Å; Y660-C671 HydrophobicContact CE2-CB 3.55Å; Y660-C671 HydrophobicContact CG-CB 4.31Å; Y660-C671 PolarHBondContact N-O 2.91Å; Y660-C671 PolarHBondContact O-N 3.06Å; S669-C671 PolarHBondContact OG-SG 2.68Å; S669-C671 VanDerWaalsContact OG-SG 3.35Å; C671-I676 HydrophobicContact CB-CD1 4.39Å |
| 672 | R | 86.6 | Confident | 79.8 | Confident | 174 Ų | 174 | 49.5 Ų | 49.5 | 66% | 0.657 | 27% | 0.266 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 129.8 | 171.2 | -67.2 | -175.5 | 177.2 | 179.1 | -2.2 | 108.5 | E674 S675 | R672-E674 PolarHBondContact O-N 3.06Å; R672-S675 PolarHBondContact O-N 3.44Å; R672-S675 PolarHBondContact O-OG 3.37Å |
| 673 | L | 80.9 | Confident | 77.9 | Confident | 9 Ų | 9 | 56.3 Ų | 56.3 | 5% | 0.047 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -60.2 | -33.9 | -179.6 | -70 | 167.7 | 0 | 0 | 0 | 111.6 | I554 I657 V658 Y660 S675 I676 L679 | I554-L673 HydrophobicContact CD1-CD1 4.35Å; I554-L673 HydrophobicContact CD1-CD2 3.98Å; I657-L673 HydrophobicContact CB-CD1 4.36Å; I657-L673 HydrophobicContact CG2-CD1 3.85Å; I657-L673 WeakPolarHBondContact O-CD1 3.36Å; V658-L673 WeakPolarHBondContact O-CB 3.44Å; V658-L673 PolarHBondContact O-N 2.89Å; Y660-L673 HydrophobicContact CD1-CD2 4.17Å; Y660-L673 HydrophobicContact CE1-CD2 4.08Å; L673-S675 PolarHBondContact O-N 3.11Å; L673-I676 PolarHBondContact O-N 3.25Å; L673-I676 VanDerWaalsContact O-N 3.12Å; L673-L679 HydrophobicContact CD2-CB 4.31Å; L673-L679 HydrophobicContact CD2-CD1 3.58Å; L673-L679 HydrophobicContact CD2-CG 4.48Å |
| 674 | E | 77.5 | Confident | 76.3 | Confident | 112 Ų | 112 | 59.1 Ų | 59.1 | 52% | 0.523 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -64.3 | -21.5 | 177.2 | -65.1 | 179 | 176.6 | 0 | 0 | 114.1 | R672 I676 K680 | R672-E674 PolarHBondContact O-N 3.06Å; E674-I676 VanDerWaalsContact C-N 3.34Å; E674-K680 WeakPolarHBondContact O-CE 3.42Å |
| 675 | S | 73.4 | Confident | 75.1 | Confident | 78 Ų | 78 | 61.4 Ų | 61.4 | 55% | 0.545 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -85.5 | -8.5 | 176.1 | 67.1 | 0 | 0 | 0 | 0 | 113.2 | R672 L673 | R672-S675 PolarHBondContact O-N 3.44Å; R672-S675 PolarHBondContact O-OG 3.37Å; L673-S675 PolarHBondContact O-N 3.11Å |
| 676 | I | 76.3 | Confident | 74.3 | Confident | 6 Ų | 6 | 62.7 Ų | 62.7 | 3% | 0.031 | 34% | 0.339 | C | S | . | . | trans | -103.4 | 107.1 | -173.2 | -55.6 | 174.3 | 0 | 0 | 0 | 109.9 | T546 Y660 C671 L673 E674 W678 L679 K680 | T546-I676 HydrophobicContact CG2-CD1 3.82Å; T546-I676 HydrophobicContact CG2-CG1 3.86Å; Y660-I676 HydrophobicContact CE1-CD1 3.99Å; Y660-I676 WeakPolarHBondContact OH-CD1 3.28Å; C671-I676 HydrophobicContact CB-CD1 4.39Å; L673-I676 PolarHBondContact O-N 3.25Å; L673-I676 VanDerWaalsContact O-N 3.12Å; E674-I676 VanDerWaalsContact C-N 3.34Å; I676-W678 VanDerWaalsContact C-N 3.33Å; I676-W678 HydrophobicContact CG2-CD2 3.57Å; I676-W678 HydrophobicContact CG2-CE3 3.98Å; I676-W678 HydrophobicContact CG2-CG 4.13Å; I676-W678 HydrophobicContact CG2-CH2 3.89Å; I676-W678 HydrophobicContact CG2-CZ2 3.45Å; I676-W678 VanDerWaalsContact CG2-CZ2 3.45Å; I676-W678 HydrophobicContact CG2-CZ3 4.13Å; I676-W678 PolarHBondContact O-N 3.33Å; I676-L679 HydrophobicContact CB-CB 4.27Å; I676-L679 HydrophobicContact CB-CD1 4.32Å; I676-L679 HydrophobicContact CD1-CD1 4.07Å; I676-L679 HydrophobicContact CG2-CB 4.22Å; I676-L679 HydrophobicContact CG2-CD1 4Å; I676-L679 HydrophobicContact CG2-CG 4.08Å; I676-L679 PolarHBondContact O-N 2.03Å; I676-K680 PolarHBondContact O-N 2.88Å; I676-K680 VanDerWaalsContact O-N 3.11Å | ||
| 677 | A | 71.9 | Confident | 73.7 | Confident | 72 Ų | 72 | 62.3 Ų | 62.3 | 60% | 0.595 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -41.7 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | L679 K680 | A677-L679 VanDerWaalsContact C-N 3.31Å; A677-L679 PolarHBondContact O-N 3.27Å; A677-K680 PolarHBondContact O-N 3.45Å |
| 678 | W | 76 | Confident | 72.8 | Confident | 96 Ų | 96 | 66.7 Ų | 66.7 | 36% | 0.364 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -11 | -179 | 63.6 | 85 | 0 | 0 | 0 | 114.3 | R550 V551 I676 | R550-W678 HydrophobicContact CG-CZ2 3.97Å; V551-W678 PolarHBondContact O-NE1 3.17Å; V551-W678 VanDerWaalsContact O-NE1 3.16Å; I676-W678 VanDerWaalsContact C-N 3.33Å; I676-W678 HydrophobicContact CG2-CD2 3.57Å; I676-W678 HydrophobicContact CG2-CE3 3.98Å; I676-W678 HydrophobicContact CG2-CG 4.13Å; I676-W678 HydrophobicContact CG2-CH2 3.89Å; I676-W678 HydrophobicContact CG2-CZ2 3.45Å; I676-W678 VanDerWaalsContact CG2-CZ2 3.45Å; I676-W678 HydrophobicContact CG2-CZ3 4.13Å; I676-W678 PolarHBondContact O-N 3.33Å |
| 679 | L | 71.1 | Confident | 71.8 | Confident | 6 Ų | 6 | 64 Ų | 64 | 3% | 0.031 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | -11.4 | 174.1 | -67.5 | 172.8 | 0 | 0 | 0 | 112.5 | V551 L673 I676 A677 A681 L682 R685 | V551-L679 HydrophobicContact CB-CD1 4.37Å; V551-L679 HydrophobicContact CG1-CD1 4.32Å; L673-L679 HydrophobicContact CD2-CB 4.31Å; L673-L679 HydrophobicContact CD2-CD1 3.58Å; L673-L679 HydrophobicContact CD2-CG 4.48Å; I676-L679 HydrophobicContact CB-CB 4.27Å; I676-L679 HydrophobicContact CB-CD1 4.32Å; I676-L679 HydrophobicContact CD1-CD1 4.07Å; I676-L679 HydrophobicContact CG2-CB 4.22Å; I676-L679 HydrophobicContact CG2-CD1 4Å; I676-L679 HydrophobicContact CG2-CG 4.08Å; I676-L679 PolarHBondContact O-N 2.03Å; A677-L679 VanDerWaalsContact C-N 3.31Å; A677-L679 PolarHBondContact O-N 3.27Å; L679-A681 PolarHBondContact O-N 2.8Å; L679-L682 HydrophobicContact CB-CD1 4.46Å; L679-L682 HydrophobicContact CD2-CD1 3.79Å; L679-R685 PolarHBondContact O-NE 3.37Å; L679-R685 PolarHBondContact O-NH2 3.16Å |
| 680 | K | 65 | Low | 70.4 | Confident | 132 Ų | 132 | 67.5 Ų | 67.5 | 57% | 0.574 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -20.8 | 176.9 | -85.1 | -171.5 | 177.2 | -175.4 | 0 | 114.8 | E674 I676 A677 R685 | E674-K680 WeakPolarHBondContact O-CE 3.42Å; I676-K680 PolarHBondContact O-N 2.88Å; I676-K680 VanDerWaalsContact O-N 3.11Å; A677-K680 PolarHBondContact O-N 3.45Å; K680-R685 PolarHBondContact O-NH2 2.8Å |
| 681 | A | 57.3 | Low | 68.9 | Low | 87 Ų | 87 | 73.1 Ų | 73.1 | 72% | 0.719 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | -1.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L679 | L679-A681 PolarHBondContact O-N 2.8Š|
| 682 | L | 55.1 | Low | 67.3 | Low | 56 Ų | 56 | 77.2 Ų | 77.2 | 29% | 0.293 | 40% | 0.4 | S | S | . | . | trans | -85.3 | 118.1 | -179.9 | -72 | 101.6 | 0 | 0 | 0 | 111.4 | L679 N684 R685 | L679-L682 HydrophobicContact CB-CD1 4.46Å; L679-L682 HydrophobicContact CD2-CD1 3.79Å; L682-N684 VanDerWaalsContact C-N 3.29Å; L682-N684 PolarHBondContact O-N 3.33Å; L682-R685 VanDerWaalsContact N-NH2 3.13Å; L682-R685 WeakPolarHBondContact O-CG 3.46Å; L682-R685 PolarHBondContact O-NE 3.41Å; L682-R685 PolarHBondContact O-NH2 3.32Å | ||
| 683 | D | 52.2 | Low | 65.5 | Low | 147 Ų | 147 | 72.4 Ų | 72.4 | 79% | 0.786 | 39% | 0.387 | S | S | * | . | trans | -73.5 | -17.9 | 176.4 | -77.8 | -27.1 | 0 | 0 | 0 | 113.4 | R685 | D683-R685 PolarHBondContact O-N 3.48Š| ||
| 684 | N | 56.1 | Low | 64.3 | Low | 104 Ų | 104 | 76.5 Ų | 76.5 | 56% | 0.556 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | 34.6 | -171.4 | -49.4 | 32.6 | 0 | 0 | 0 | 114.3 | L682 | L682-N684 VanDerWaalsContact C-N 3.29Å; L682-N684 PolarHBondContact O-N 3.33Å |
| 685 | R | 64.7 | Low | 63.6 | Low | 52 Ų | 52 | 74.2 Ų | 74.2 | 20% | 0.196 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -19.2 | -173.6 | -60.9 | -178.7 | -152.1 | 150.2 | 32.4 | 114.4 | K656 I657 L679 K680 L682 D683 | K656-R685 WeakPolarHBondContact CA-O 3.26Å; I657-R685 PolarHBondContact N-O 3.35Å; L679-R685 PolarHBondContact O-NE 3.37Å; L679-R685 PolarHBondContact O-NH2 3.16Å; K680-R685 PolarHBondContact O-NH2 2.8Å; L682-R685 VanDerWaalsContact N-NH2 3.13Å; L682-R685 WeakPolarHBondContact O-CG 3.46Å; L682-R685 PolarHBondContact O-NE 3.41Å; L682-R685 PolarHBondContact O-NH2 3.32Å; D683-R685 PolarHBondContact O-N 3.48Å |
| 686 | S | 70.3 | Confident | 63.5 | Low | 62 Ų | 62 | 71.4 Ų | 71.4 | 43% | 0.434 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 141.7 | 179.6 | 47.6 | 0 | 0 | 0 | 0 | 111 | L655 | L655-S686 CarbonylContact O-C 3.37Å; L655-S686 VanDerWaalsContact O-CA 3.28Å; L655-S686 WeakPolarHBondContact O-CA 3.49Å |
| 687 | T | 70.4 | Confident | 63.5 | Low | 9 Ų | 9 | 73.4 Ų | 73.4 | 6% | 0.055 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 153.7 | 174.1 | 172.2 | 0 | 0 | 0 | 0 | 109.6 | F556 E590 L592 L655 | F556-T687 HydrophobicContact CD1-CG2 4.29Å; F556-T687 HydrophobicContact CD2-CG2 3.58Å; F556-T687 HydrophobicContact CE1-CG2 4.32Å; F556-T687 HydrophobicContact CE2-CG2 3.6Å; F556-T687 HydrophobicContact CG-CG2 3.93Å; F556-T687 HydrophobicContact CZ-CG2 3.98Å; E590-T687 PolarHBondContact O-OG1 2.89Å; L592-T687 HydrophobicContact CD1-CG2 3.65Å; L592-T687 HydrophobicContact CG-CG2 3.91Å; L655-T687 HydrophobicContact CB-CG2 4.19Å; L655-T687 HydrophobicContact CD2-CG2 4.45Å; L655-T687 PolarHBondContact N-O 2.91Å; L655-T687 PolarHBondContact O-N 2.84Å |
| 688 | Q | 71.3 | Confident | 63.7 | Low | 93 Ų | 93 | 70.1 Ų | 70.1 | 44% | 0.435 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 143.8 | 170.5 | -70.4 | -144.3 | 2.3 | 0 | 0 | 112.1 | C591 L592 G653 | C591-Q688 CarbonylContact C-O 3.58Å; C591-Q688 VanDerWaalsContact C-O 3.28Å; C591-Q688 WeakPolarHBondContact CA-O 3.2Å; C591-Q688 WeakPolarHBondContact CB-O 3.42Å; L592-Q688 PolarHBondContact N-O 2.54Å; G653-Q688 CarbonylContact O-C 3.46Å |
| 689 | V | 69 | Low | 63.7 | Low | 2 Ų | 2 | 70.1 Ų | 70.1 | 1% | 0.012 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 126.6 | 174.5 | -168.6 | 0 | 0 | 0 | 0 | 109.2 | L592 A594 V624 A649 E651 A652 G653 L655 | L592-V689 HydrophobicContact CB-CB 4.49Å; L592-V689 HydrophobicContact CB-CG1 4.3Å; L592-V689 HydrophobicContact CB-CG2 4.15Å; L592-V689 HydrophobicContact CD1-CG2 4.41Å; L592-V689 CarbonylContact O-C 3.56Å; L592-V689 VanDerWaalsContact O-CA 3.26Å; L592-V689 WeakPolarHBondContact O-CA 3.46Å; A594-V689 HydrophobicContact CB-CG1 3.99Å; V624-V689 HydrophobicContact CB-CG2 4.43Å; V624-V689 HydrophobicContact CG1-CG2 4.38Å; V624-V689 HydrophobicContact CG2-CG2 4.29Å; A649-V689 HydrophobicContact CB-CG1 3.72Å; A649-V689 HydrophobicContact CB-CG2 4.05Å; E651-V689 VanDerWaalsContact O-CG1 3.25Å; E651-V689 WeakPolarHBondContact O-CG1 3.36Å; A652-V689 CarbonylContact C-O 3.46Å; A652-V689 WeakPolarHBondContact CA-O 3.27Å; A652-V689 VanDerWaalsContact CB-O 3.28Å; A652-V689 WeakPolarHBondContact CB-O 3.46Å; G653-V689 PolarHBondContact N-O 2.95Å; G653-V689 PolarHBondContact O-N 3.38Å; L655-V689 HydrophobicContact CB-CG2 4.12Å |
| 690 | L | 58.5 | Low | 63.7 | Low | 75 Ų | 75 | 71.7 Ų | 71.7 | 39% | 0.393 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 162.1 | -176.9 | -58.8 | 175.7 | 0 | 0 | 0 | 112.6 | C591 L592 I593 A594 | C591-L690 HydrophobicContact CB-CD1 3.74Å; C591-L690 HydrophobicContact CB-CG 3.99Å; L592-L690 PolarHBondContact O-N 3.47Å; I593-L690 CarbonylContact C-O 3.54Å; I593-L690 WeakPolarHBondContact CA-O 3.38Å; A594-L690 PolarHBondContact N-O 2.87Å |
| 691 | Q | 56 | Low | 63.5 | Low | 162 Ų | 162 | 70 Ų | 70 | 76% | 0.757 | 37% | 0.374 | S | S | * | . | trans | -89.4 | 146.1 | 179.5 | -169.1 | 177.5 | -6.2 | 0 | 0 | 113.4 | ||||
| 692 | E | 53.7 | Low | 63.5 | Low | 87 Ų | 87 | 69.5 Ų | 69.5 | 41% | 0.407 | 38% | 0.378 | S | S | . | . | trans | -86.9 | 136.7 | -175.8 | -178.8 | 169.7 | -143.1 | 0 | 0 | 115.1 | I593 R596 | I593-E692 HydrophobicContact CG2-CB 3.93Å; R596-E692 IonicContact CZ-OE1 3.55Å; R596-E692 VanDerWaalsContact CZ-OE1 3.28Å; R596-E692 IonicContact NE-OE1 3.9Å; R596-E692 PolarHBondContact NE-OE1 2.87Å; R596-E692 IonicContact NH2-OE1 2.97Å; R596-E692 PolarHBondContact NH2-OE1 2.84Å | ||
| 693 | I | 49.9 | Very low | 63.4 | Low | 74 Ų | 74 | 73.8 Ų | 73.8 | 38% | 0.379 | 39% | 0.394 | S | S | . | . | trans | -155.8 | 119.7 | 174.5 | -45.9 | 173.9 | 0 | 0 | 0 | 113.3 | F695 R836 | I693-F695 HydrophobicContact CG2-CD2 4.41Å; I693-F695 HydrophobicContact CG2-CE2 3.66Å; I693-F695 HydrophobicContact CG2-CZ 3.81Å; I693-R836 PolarHBondContact O-NH1 3.34Å | ||
| 694 | P | 54 | Low | 63 | Low | 95 Ų | 95 | 77 Ų | 77 | 62% | 0.617 | 40% | 0.401 | S | S | * | . | trans | -118.6 | 154.9 | 171.7 | 35.1 | -24.3 | 0 | 0 | 0 | 116.9 | ||||
| 695 | F | 62.5 | Low | 62.4 | Low | 63 Ų | 63 | 75.8 Ų | 75.8 | 28% | 0.276 | 41% | 0.412 | S | S | . | . | trans | -139.6 | -2.1 | -176.1 | -67.4 | -68.6 | 0 | 0 | 0 | 118.1 | I693 N728 S729 Y822 V824 | I693-F695 HydrophobicContact CG2-CD2 4.41Å; I693-F695 HydrophobicContact CG2-CE2 3.66Å; I693-F695 HydrophobicContact CG2-CZ 3.81Å; F695-N728 PolarHBondContact O-OD1 3.27Å; F695-S729 PolarHBondContact O-N 3.1Å; F695-S729 VanDerWaalsContact O-N 3.09Å; F695-S729 PolarHBondContact O-OG 2.95Å; F695-Y822 HydrophobicContact CB-CE2 4.46Å; F695-Y822 PolarHBondContact N-OH 3.49Å; F695-V824 HydrophobicContact CD2-CG1 4.34Å | ||
| 696 | L | 71.8 | Confident | 61.5 | Low | 19 Ų | 19 | 76 Ų | 76 | 10% | 0.099 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 132.6 | -177 | -171.9 | 74 | 0 | 0 | 0 | 111.4 | L726 I735 L767 V820 Y822 A838 | L696-L726 HydrophobicContact CD1-CB 4.43Å; L696-I735 HydrophobicContact CB-CD1 4.1Å; L696-I735 HydrophobicContact CD1-CD1 3.6Å; L696-I735 HydrophobicContact CG-CD1 4.42Å; L696-L767 HydrophobicContact CD1-CD2 4.03Å; L696-V820 HydrophobicContact CD2-CB 4.4Å; L696-V820 HydrophobicContact CD2-CG1 3.75Å; L696-Y822 HydrophobicContact CB-CD1 4.22Å; L696-Y822 HydrophobicContact CB-CE1 3.67Å; L696-Y822 HydrophobicContact CB-CE2 4.17Å; L696-Y822 HydrophobicContact CD2-CD1 3.68Å; L696-Y822 HydrophobicContact CD2-CE1 3.92Å; L696-Y822 HydrophobicContact CD2-CG 4.22Å; L696-Y822 HydrophobicContact CG-CE1 4.45Å; L696-Y822 PolarHBondContact N-OH 3.49Å; L696-A838 HydrophobicContact CB-CB 4.33Å; L696-A838 HydrophobicContact CD2-CB 4.32Å |
| 697 | D | 75.9 | Confident | 60.6 | Low | 48 Ų | 48 | 78.9 Ų | 78.9 | 26% | 0.257 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 141.8 | 178.1 | -169.9 | 22.5 | 0 | 0 | 0 | 112.1 | K699 L726 T727 R840 | D697-K699 WeakPolarHBondContact OD2-CE 3.49Å; D697-K699 IonicContact OD2-NZ 3.56Å; D697-L726 CarbonylContact O-C 3.54Å; D697-L726 WeakPolarHBondContact O-CA 3.18Å; D697-T727 PolarHBondContact N-O 3.36Å; D697-T727 PolarHBondContact O-N 2.83Å; D697-R840 IonicContact OD1-NH1 3.77Å; D697-R840 PolarHBondContact OD1-NH1 3.02Å |
| 698 | I | 76.5 | Confident | 60.1 | Low | 4 Ų | 4 | 83 Ų | 83 | 2% | 0.021 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 116.5 | -174.1 | -52.2 | 176.8 | 0 | 0 | 0 | 108.5 | I724 L726 L818 V820 A838 R840 | I698-I724 HydrophobicContact CG2-CG2 3.65Å; I698-L726 HydrophobicContact CB-CD2 4.28Å; I698-L726 HydrophobicContact CD1-CD2 4.41Å; I698-L726 HydrophobicContact CG1-CD2 3.74Å; I698-L726 HydrophobicContact CG2-CD2 4.09Å; I698-L818 HydrophobicContact CG2-CD2 4.26Å; I698-V820 HydrophobicContact CD1-CB 4.33Å; I698-V820 HydrophobicContact CD1-CG2 3.76Å; I698-A838 HydrophobicContact CD1-CB 4.06Å; I698-R840 HydrophobicContact CB-CB 4.37Å; I698-R840 HydrophobicContact CB-CG 4.37Å; I698-R840 HydrophobicContact CD1-CB 4.14Å; I698-R840 HydrophobicContact CG2-CB 4.16Å; I698-R840 HydrophobicContact CG2-CG 4.27Å; I698-R840 PolarHBondContact O-NH1 2.9Å; I698-R840 PolarHBondContact O-NH2 2.69Å |
| 699 | K | 76.5 | Confident | 59.9 | Low | 96 Ų | 96 | 80.3 Ų | 80.3 | 42% | 0.417 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 148.4 | -178.7 | -63 | -173.5 | -172.4 | 178.2 | 0 | 111.9 | D697 I724 K725 | D697-K699 WeakPolarHBondContact OD2-CE 3.49Å; D697-K699 IonicContact OD2-NZ 3.56Å; K699-I724 CarbonylContact O-C 3.59Å; K699-I724 WeakPolarHBondContact O-CG2 3.46Å; K699-K725 HydrophobicContact CB-CB 4.5Å; K699-K725 PolarHBondContact N-O 3.21Å; K699-K725 PolarHBondContact O-N 2.84Å |
| 700 | V | 71 | Confident | 60 | Low | 39 Ų | 39 | 80.5 Ų | 80.5 | 24% | 0.236 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 133.4 | 171 | -177.9 | 0 | 0 | 0 | 0 | 108 | I710 I722 | V700-I710 HydrophobicContact CG2-CB 4.04Å; V700-I710 HydrophobicContact CG2-CD1 3.59Å; V700-I710 HydrophobicContact CG2-CG1 3.44Å; V700-I710 VanDerWaalsContact CG2-CG1 3.44Å; V700-I710 HydrophobicContact CG2-CG2 3.79Å; V700-I722 HydrophobicContact CG1-CG2 4.05Å |
| 701 | D | 61.6 | Low | 61 | Low | 97 Ų | 97 | 83.7 Ų | 83.7 | 52% | 0.519 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | 141.4 | -177.6 | -150.8 | -7.4 | 0 | 0 | 0 | 111.5 | E723 | D701-E723 PolarHBondContact N-O 3.21Š|
| 702 | G | 57.6 | Low | 62.3 | Low | 76 Ų | 76 | 79.4 Ų | 79.4 | 78% | 0.784 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92 | -5.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||
| 703 | K | 52 | Low | 63.7 | Low | 145 Ų | 145 | 78.9 Ų | 78.9 | 63% | 0.63 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -119.7 | 126.7 | 174.9 | -73.5 | -178.4 | -179.6 | 170.4 | 0 | 112.7 | G705 | K703-G705 PolarHBondContact O-N 2.74Š|
| 704 | K | 44.5 | Very low | 65.5 | Low | 216 Ų | 216 | 75.4 Ų | 75.4 | 94% | 0.939 | 42% | 0.422 | S | S | * | . | trans | -71.2 | 113.3 | 178.2 | -76.9 | -178.9 | 176 | 177.5 | 0 | 111.4 | S706 | K704-S706 PolarHBondContact O-N 3.48Š| ||
| 705 | G | 43.2 | Very low | 67 | Low | 77 Ų | 77 | 72 Ų | 72 | 79% | 0.794 | 40% | 0.397 | S | S | * | . | S | Bend | trans | 64.3 | 33.5 | 132.9 | 0 | 0 | 0 | 0 | 0 | 120.7 | K703 | K703-G705 PolarHBondContact O-N 2.74Š|
| 706 | S | 46.2 | Very low | 67.9 | Low | 57 Ų | 57 | 69.1 Ų | 69.1 | 40% | 0.399 | 39% | 0.385 | S | S | . | . | trans | -126.4 | 157.1 | 171.2 | -174 | 0 | 0 | 0 | 0 | 111.9 | K704 D708 R840 | K704-S706 PolarHBondContact O-N 3.48Å; S706-D708 WeakPolarHBondContact CB-OD1 3.44Å; S706-D708 VanDerWaalsContact CB-OD2 3.3Å; S706-D708 WeakPolarHBondContact CB-OD2 3.47Å; S706-D708 PolarHBondContact O-N 3.13Å; S706-D708 PolarHBondContact OG-OD1 2.89Å; S706-D708 PolarHBondContact OG-OD2 3.5Å; S706-R840 PolarHBondContact O-NH2 3.17Å; S706-R840 VanDerWaalsContact O-NH2 3.13Å | ||
| 707 | T | 51.6 | Low | 68.2 | Low | 122 Ų | 122 | 68.4 Ų | 68.4 | 75% | 0.748 | 38% | 0.382 | S | S | * | . | trans | -64.9 | 20.8 | 168.8 | 45.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 708 | D | 58.9 | Low | 68.7 | Low | 97 Ų | 97 | 67 Ų | 67 | 52% | 0.519 | 37% | 0.374 | S | S | . | . | trans | -73.4 | 148.7 | -170.1 | -67.2 | -12.5 | 0 | 0 | 0 | 111.8 | S706 | S706-D708 WeakPolarHBondContact CB-OD1 3.44Å; S706-D708 VanDerWaalsContact CB-OD2 3.3Å; S706-D708 WeakPolarHBondContact CB-OD2 3.47Å; S706-D708 PolarHBondContact O-N 3.13Å; S706-D708 PolarHBondContact OG-OD1 2.89Å; S706-D708 PolarHBondContact OG-OD2 3.5Å | ||
| 709 | P | 66.7 | Low | 69.1 | Low | 35 Ų | 35 | 70.1 Ų | 70.1 | 23% | 0.227 | 39% | 0.393 | C | S | . | . | trans | -61.6 | 150.3 | 171 | 24.7 | -32.9 | 0 | 0 | 0 | 112 | R711 P841 E843 | P709-R711 HydrophobicContact CG-CG 4.22Å; P709-R711 PolarHBondContact O-N 2.85Å; P709-P841 CarbonylContact C-O 3.59Å; P709-P841 VanDerWaalsContact CA-O 3.29Å; P709-P841 WeakPolarHBondContact CA-O 3.4Å; P709-P841 HydrophobicContact CB-CB 4.1Å; P709-P841 HydrophobicContact CB-CG 3.91Å; P709-E843 HydrophobicContact CB-CB 4.44Å | ||
| 710 | I | 71.7 | Confident | 69.5 | Low | 7 Ų | 7 | 66.7 Ų | 66.7 | 4% | 0.036 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 96.8 | 171.9 | -51.9 | -171.7 | 0 | 0 | 0 | 108.2 | V700 I722 I724 R840 P841 I842 E843 | V700-I710 HydrophobicContact CG2-CB 4.04Å; V700-I710 HydrophobicContact CG2-CD1 3.59Å; V700-I710 HydrophobicContact CG2-CG1 3.44Å; V700-I710 VanDerWaalsContact CG2-CG1 3.44Å; V700-I710 HydrophobicContact CG2-CG2 3.79Å; I710-I722 HydrophobicContact CG2-CG2 4.18Å; I710-I724 HydrophobicContact CD1-CD1 3.85Å; I710-I724 HydrophobicContact CD1-CG1 4.4Å; I710-R840 HydrophobicContact CG1-CG 4.37Å; I710-P841 PolarHBondContact N-O 2.93Å; I710-I842 HydrophobicContact CB-CB 4.45Å; I710-I842 HydrophobicContact CB-CG1 4.19Å; I710-I842 HydrophobicContact CB-CG2 4.4Å; I710-I842 HydrophobicContact CD1-CG1 4.17Å; I710-I842 HydrophobicContact CG1-CG1 4.42Å; I710-E843 PolarHBondContact O-N 2.78Å |
| 711 | R | 80.3 | Confident | 70.2 | Confident | 141 Ų | 141 | 72.4 Ų | 72.4 | 53% | 0.532 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 119.1 | -178 | -76.1 | 174.3 | 170.1 | 177.1 | -2.5 | 112.1 | P709 E843 | P709-R711 HydrophobicContact CG-CG 4.22Å; P709-R711 PolarHBondContact O-N 2.85Å; R711-E843 WeakPolarHBondContact CA-O 3.48Å; R711-E843 HydrophobicContact CG-CB 3.99Å; R711-E843 HydrophobicContact CG-CG 4.41Å; R711-E843 IonicContact CZ-OE2 3.11Å; R711-E843 VanDerWaalsContact CZ-OE2 3.3Å; R711-E843 IonicContact NE-OE2 2.97Å; R711-E843 PolarHBondContact NE-OE2 3.15Å; R711-E843 IonicContact NH2-OE2 2.7Å; R711-E843 PolarHBondContact NH2-OE2 3.28Å |
| 712 | Q | 82.3 | Confident | 71.2 | Confident | 73 Ų | 73 | 68.2 Ų | 68.2 | 34% | 0.341 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 141.7 | 174.4 | -163.4 | 69 | 11.4 | 0 | 0 | 111.2 | L714 I722 E843 L844 T845 | Q712-L714 HydrophobicContact CG-CD2 4.1Å; Q712-L714 HydrophobicContact CG-CG 4.22Å; Q712-I722 HydrophobicContact CB-CD1 3.86Å; Q712-I722 HydrophobicContact CG-CD1 3.97Å; Q712-I722 HydrophobicContact CG-CG1 4.39Å; Q712-E843 PolarHBondContact N-O 2.8Å; Q712-E843 VanDerWaalsContact N-O 3.14Å; Q712-L844 HydrophobicContact CB-CD2 3.8Å; Q712-L844 WeakPolarHBondContact O-CA 3.42Å; Q712-T845 PolarHBondContact O-N 3.02Å |
| 713 | T | 83.8 | Confident | 72.5 | Confident | 75 Ų | 75 | 67.7 Ų | 67.7 | 46% | 0.46 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 133.6 | 172.3 | -54.7 | 0 | 0 | 0 | 0 | 109.5 | T845 R847 | T713-T845 CarbonylContact C-O 3.45Å; T713-T845 VanDerWaalsContact CA-O 3.3Å; T713-T845 WeakPolarHBondContact CA-O 3.41Å; T713-T845 HydrophobicContact CG2-CG2 4.34Å; T713-R847 HydrophobicContact CG2-CG 4.4Å |
| 714 | L | 86.6 | Confident | 74 | Confident | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 153.8 | -171.2 | -60.5 | 162.9 | 0 | 0 | 0 | 110.2 | Q712 V720 V779 L844 T845 I846 R847 | Q712-L714 HydrophobicContact CG-CD2 4.1Å; Q712-L714 HydrophobicContact CG-CG 4.22Å; L714-V720 HydrophobicContact CD2-CB 3.44Å; L714-V720 VanDerWaalsContact CD2-CB 3.44Å; L714-V720 HydrophobicContact CD2-CG1 3.99Å; L714-V720 HydrophobicContact CD2-CG2 3.2Å; L714-V779 HydrophobicContact CD1-CB 4.06Å; L714-V779 HydrophobicContact CD1-CG1 3.48Å; L714-V779 VanDerWaalsContact CD1-CG1 3.48Å; L714-L844 HydrophobicContact CD1-CD2 4.14Å; L714-T845 PolarHBondContact N-O 2.78Å; L714-I846 HydrophobicContact CB-CD1 4.11Å; L714-I846 HydrophobicContact CD1-CD1 4.23Å; L714-I846 CarbonylContact O-C 3.55Å; L714-I846 WeakPolarHBondContact O-CA 3.34Å; L714-R847 PolarHBondContact O-N 3.4Å |
| 715 | Y | 86.4 | Confident | 75.8 | Confident | 24 Ų | 24 | 52.8 Ų | 52.8 | 9% | 0.094 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 147.2 | 170.7 | -76.9 | -77.4 | 0 | 0 | 0 | 111.9 | G717 Q718 R847 P848 A849 T876 W947 | Y715-G717 PolarHBondContact O-N 3.05Å; Y715-Q718 WeakPolarHBondContact O-CB 3.27Å; Y715-Q718 PolarHBondContact O-N 3.37Å; Y715-R847 CarbonylContact C-O 3.47Å; Y715-R847 VanDerWaalsContact CA-O 3.29Å; Y715-R847 WeakPolarHBondContact CA-O 3.48Å; Y715-R847 HydrophobicContact CD1-CB 3.88Å; Y715-R847 HydrophobicContact CE1-CB 3.94Å; Y715-P848 WeakPolarHBondContact CD1-O 3.5Å; Y715-A849 HydrophobicContact CD1-CB 3.85Å; Y715-A849 HydrophobicContact CG-CB 4.19Å; Y715-T876 HydrophobicContact CD1-CG2 4.13Å; Y715-T876 HydrophobicContact CE1-CG2 3.79Å; Y715-W947 HydrophobicContact CG-CH2 4.26Å |
| 716 | A | 80.7 | Confident | 77.7 | Confident | 3 Ų | 3 | 49.2 Ų | 49.2 | 3% | 0.025 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 127.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | T752 I846 R847 W947 P959 | A716-T752 HydrophobicContact CB-CG2 4.13Å; A716-I846 HydrophobicContact CB-CG2 4.4Å; A716-R847 PolarHBondContact N-O 2.96Å; A716-W947 WeakPolarHBondContact O-CZ2 3.05Å; A716-W947 PolarHBondContact O-NE1 3.45Å; A716-P959 HydrophobicContact CB-CG 4.33Å |
| 717 | G | 79.3 | Confident | 79.3 | Confident | 4 Ų | 4 | 47.9 Ų | 47.9 | 4% | 0.041 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 95.1 | -8.7 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y715 C781 N782 G956 Q957 | Y715-G717 PolarHBondContact O-N 3.05Å; G717-C781 CarbonylContact C-O 3.57Å; G717-C781 WeakPolarHBondContact CA-O 2.75Å; G717-C781 PolarHBondContact N-O 2.77Å; G717-N782 PolarHBondContact O-OD1 2.84Å; G717-G956 CarbonylContact O-C 3.57Å; G717-G956 WeakPolarHBondContact O-CA 3.45Å; G717-Q957 VanDerWaalsContact CA-O 3.26Å; G717-Q957 WeakPolarHBondContact CA-O 3.46Å; G717-Q957 PolarHBondContact O-N 3.27Å |
| 718 | Q | 86.7 | Confident | 80.7 | Confident | 19 Ų | 19 | 42.1 Ų | 42.1 | 9% | 0.089 | 20% | 0.204 | C | C | . | . | trans | -87.9 | 148 | -175.9 | -163.7 | -177.7 | 3.8 | 0 | 0 | 111.8 | Y715 V720 C781 | Y715-Q718 WeakPolarHBondContact O-CB 3.27Å; Y715-Q718 PolarHBondContact O-N 3.37Å; Q718-V720 HydrophobicContact CG-CG2 3.92Å; Q718-C781 WeakPolarHBondContact O-CB 3.29Å; Q718-C781 PolarHBondContact O-N 3.17Å | ||
| 719 | T | 83.3 | Confident | 81.2 | Confident | 68 Ų | 68 | 40.6 Ų | 40.6 | 42% | 0.417 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 128 | 167.1 | -58.7 | 0 | 0 | 0 | 0 | 109.6 | L778 V779 S780 | T719-L778 HydrophobicContact CG2-CD1 3.64Å; T719-L778 HydrophobicContact CG2-CG 4.31Å; T719-V779 CarbonylContact C-O 3.53Å; T719-V779 VanDerWaalsContact CA-O 3.3Å; T719-V779 WeakPolarHBondContact CA-O 3.28Å; T719-S780 WeakPolarHBondContact CG2-OG 3.43Å |
| 720 | V | 85.7 | Confident | 81.3 | Confident | 25 Ų | 25 | 39.4 Ų | 39.4 | 15% | 0.152 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 143.1 | -177.1 | 170.6 | 0 | 0 | 0 | 0 | 110.8 | L714 Q718 I722 V779 | L714-V720 HydrophobicContact CD2-CB 3.44Å; L714-V720 VanDerWaalsContact CD2-CB 3.44Å; L714-V720 HydrophobicContact CD2-CG1 3.99Å; L714-V720 HydrophobicContact CD2-CG2 3.2Å; Q718-V720 HydrophobicContact CG-CG2 3.92Å; V720-I722 HydrophobicContact CG1-CG1 4.34Å; V720-V779 PolarHBondContact N-O 3.34Å; V720-V779 PolarHBondContact O-N 2.9Å |
| 721 | R | 85.5 | Confident | 81 | Confident | 158 Ų | 158 | 45.8 Ų | 45.8 | 60% | 0.596 | 22% | 0.223 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 128.2 | 172.2 | -74.5 | 177.9 | 150.3 | 169.7 | -6.5 | 110.1 | E759 L778 | R721-E759 IonicContact CZ-OE2 3.01Å; R721-E759 IonicContact NE-OE2 3.66Å; R721-E759 IonicContact NH2-OE2 3.56Å; R721-E759 PolarHBondContact NH2-OE2 2.64Å; R721-L778 HydrophobicContact CG-CD1 3.42Å; R721-L778 VanDerWaalsContact CG-CD1 3.42Å |
| 722 | I | 83.3 | Confident | 80.1 | Confident | 9 Ų | 9 | 43.3 Ų | 43.3 | 5% | 0.046 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 124.6 | 176.2 | -57.2 | 169 | 0 | 0 | 0 | 108.2 | V700 I710 Q712 V720 I724 Y776 L777 V779 L844 | V700-I722 HydrophobicContact CG1-CG2 4.05Å; I710-I722 HydrophobicContact CG2-CG2 4.18Å; Q712-I722 HydrophobicContact CB-CD1 3.86Å; Q712-I722 HydrophobicContact CG-CD1 3.97Å; Q712-I722 HydrophobicContact CG-CG1 4.39Å; V720-I722 HydrophobicContact CG1-CG1 4.34Å; I722-I724 HydrophobicContact CG2-CG1 4.44Å; I722-Y776 CarbonylContact O-C 3.43Å; I722-Y776 WeakPolarHBondContact O-CA 3.15Å; I722-L777 HydrophobicContact CB-CB 4.18Å; I722-L777 HydrophobicContact CD1-CD2 4.13Å; I722-L777 PolarHBondContact N-O 3.09Å; I722-L777 PolarHBondContact O-N 2.97Å; I722-V779 HydrophobicContact CD1-CG2 3.95Å; I722-L844 HydrophobicContact CD1-CD2 4.48Å |
| 723 | E | 83.7 | Confident | 79.5 | Confident | 66 Ų | 66 | 41.1 Ų | 41.1 | 31% | 0.308 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 128.3 | -179.8 | -173 | 166.3 | -127.2 | 0 | 0 | 111.4 | D701 Y774 Y776 | D701-E723 PolarHBondContact N-O 3.21Å; E723-Y774 HydrophobicContact CG-CD1 3.71Å; E723-Y774 HydrophobicContact CG-CE1 4.27Å; E723-Y776 HydrophobicContact CB-CD1 4.07Å; E723-Y776 HydrophobicContact CB-CE1 3.93Å; E723-Y776 HydrophobicContact CG-CD1 4.19Å; E723-Y776 HydrophobicContact CG-CE1 3.7Å; E723-Y776 WeakPolarHBondContact OE1-CE1 3.25Å; E723-Y776 PolarHBondContact OE1-OH 2.88Å |
| 724 | I | 83.5 | Confident | 79.1 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 132.8 | -176 | -50.4 | 177.8 | 0 | 0 | 0 | 109.4 | I698 K699 I710 I722 Y774 F775 L777 L818 | I698-I724 HydrophobicContact CG2-CG2 3.65Å; K699-I724 CarbonylContact O-C 3.59Å; K699-I724 WeakPolarHBondContact O-CG2 3.46Å; I710-I724 HydrophobicContact CD1-CD1 3.85Å; I710-I724 HydrophobicContact CD1-CG1 4.4Å; I722-I724 HydrophobicContact CG2-CG1 4.44Å; I724-Y774 CarbonylContact O-C 3.5Å; I724-Y774 VanDerWaalsContact O-CA 3.31Å; I724-Y774 WeakPolarHBondContact O-CA 3.42Å; I724-F775 HydrophobicContact CB-CD1 4.17Å; I724-F775 HydrophobicContact CB-CD2 4.14Å; I724-F775 HydrophobicContact CB-CE1 3.61Å; I724-F775 HydrophobicContact CB-CE2 3.72Å; I724-F775 HydrophobicContact CB-CG 4.4Å; I724-F775 HydrophobicContact CB-CZ 3.45Å; I724-F775 VanDerWaalsContact CB-CZ 3.45Å; I724-F775 HydrophobicContact CD1-CD2 4.37Å; I724-F775 HydrophobicContact CD1-CE2 3.66Å; I724-F775 HydrophobicContact CD1-CZ 4.03Å; I724-F775 HydrophobicContact CG1-CE2 4.19Å; I724-F775 HydrophobicContact CG1-CZ 4.31Å; I724-F775 HydrophobicContact CG2-CD1 4.45Å; I724-F775 HydrophobicContact CG2-CE1 3.46Å; I724-F775 VanDerWaalsContact CG2-CE1 3.46Å; I724-F775 HydrophobicContact CG2-CE2 3.94Å; I724-F775 HydrophobicContact CG2-CZ 3.21Å; I724-F775 PolarHBondContact N-O 2.02Å; I724-F775 WeakPolarHBondContact O-CD1 3.43Å; I724-F775 PolarHBondContact O-N 3.05Å; I724-L777 HydrophobicContact CD1-CB 3.82Å; I724-L777 HydrophobicContact CD1-CD2 4.28Å; I724-L818 HydrophobicContact CD1-CD2 3.81Å; I724-L818 HydrophobicContact CG2-CD2 4.48Å |
| 725 | K | 82.6 | Confident | 78.6 | Confident | 48 Ų | 48 | 39.3 Ų | 39.3 | 21% | 0.209 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 116.9 | 179.5 | -176.8 | 177.3 | -177.1 | 152 | 0 | 110.6 | K699 F772 V773 Y774 | K699-K725 HydrophobicContact CB-CB 4.5Å; K699-K725 PolarHBondContact N-O 3.21Å; K699-K725 PolarHBondContact O-N 2.84Å; K725-F772 HydrophobicContact CD-CB 4.49Å; K725-F772 HydrophobicContact CD-CD2 4.35Å; K725-F772 VanDerWaalsContact CE-CB 3.47Å; K725-F772 HydrophobicContact CG-CB 4.16Å; K725-F772 HydrophobicContact CG-CD2 4.4Å; K725-V773 CarbonylContact C-O 3.58Å; K725-V773 WeakPolarHBondContact CA-O 3.48Å; K725-Y774 HydrophobicContact CB-CD1 3.95Å; K725-Y774 HydrophobicContact CB-CE1 3.71Å; K725-Y774 HydrophobicContact CD-CE1 4.09Å; K725-Y774 HydrophobicContact CG-CD1 4.42Å; K725-Y774 HydrophobicContact CG-CE1 4.03Å |
| 726 | L | 83 | Confident | 78.2 | Confident | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 136.6 | 165.2 | -52.7 | 178.4 | 0 | 0 | 0 | 109 | L696 D697 I698 I738 F772 V773 F775 V820 | L696-L726 HydrophobicContact CD1-CB 4.43Å; D697-L726 CarbonylContact O-C 3.54Å; D697-L726 WeakPolarHBondContact O-CA 3.18Å; I698-L726 HydrophobicContact CB-CD2 4.28Å; I698-L726 HydrophobicContact CD1-CD2 4.41Å; I698-L726 HydrophobicContact CG1-CD2 3.74Å; I698-L726 HydrophobicContact CG2-CD2 4.09Å; L726-I738 HydrophobicContact CD1-CG2 3.67Å; L726-F772 CarbonylContact O-C 3.58Å; L726-F772 WeakPolarHBondContact O-CA 3.47Å; L726-F772 WeakPolarHBondContact O-CB 3.39Å; L726-V773 HydrophobicContact CB-CG1 3.95Å; L726-V773 HydrophobicContact CD1-CG1 4.12Å; L726-V773 HydrophobicContact CG-CG1 4.28Å; L726-V773 PolarHBondContact N-O 2.8Å; L726-V773 PolarHBondContact O-N 2.88Å; L726-F775 HydrophobicContact CD1-CD1 4.24Å; L726-F775 HydrophobicContact CD1-CE1 3.9Å; L726-F775 HydrophobicContact CD2-CD1 4.44Å; L726-F775 HydrophobicContact CD2-CE1 3.38Å; L726-F775 HydrophobicContact CD2-CZ 3.8Å; L726-F775 HydrophobicContact CG-CD1 3.94Å; L726-F775 HydrophobicContact CG-CE1 3.33Å; L726-F775 HydrophobicContact CG-CZ 4.21Å; L726-V820 HydrophobicContact CD1-CG1 4Å; L726-V820 HydrophobicContact CD2-CG2 4.17Å |
| 727 | T | 80 | Confident | 78 | Confident | 29 Ų | 29 | 45.4 Ų | 45.4 | 18% | 0.178 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 128.1 | 173.3 | -52.1 | 0 | 0 | 0 | 0 | 109.3 | D697 S729 E771 F772 | D697-T727 PolarHBondContact N-O 3.36Å; D697-T727 PolarHBondContact O-N 2.83Å; T727-S729 PolarHBondContact O-N 3.18Å; T727-E771 WeakPolarHBondContact CA-O 3.38Å; T727-F772 HydrophobicContact CG2-CB 4.38Å |
| 728 | N | 81.3 | Confident | 78.1 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 113.8 | 169.9 | -176.4 | -4.3 | 0 | 0 | 0 | 108.9 | F695 S730 E733 I735 L767 G768 P769 K770 E771 | F695-N728 PolarHBondContact O-OD1 3.27Å; N728-S730 VanDerWaalsContact C-N 3.29Å; N728-S730 WeakPolarHBondContact OD1-CB 3.21Å; N728-S730 PolarHBondContact OD1-N 3.1Å; N728-E733 PolarHBondContact ND2-O 3.16Å; N728-I735 HydrophobicContact CB-CD1 3.94Å; N728-I735 VanDerWaalsContact CG-CD1 3.45Å; N728-I735 WeakPolarHBondContact OD1-CD1 3.38Å; N728-L767 HydrophobicContact CB-CD2 3.95Å; N728-L767 HydrophobicContact CB-CG 4.26Å; N728-L767 PolarHBondContact ND2-O 2.88Å; N728-G768 WeakPolarHBondContact CB-O 3.23Å; N728-G768 PolarHBondContact ND2-O 3.12Å; N728-P769 WeakPolarHBondContact ND2-CA 3.48Å; N728-K770 VanDerWaalsContact O-CA 3.29Å; N728-K770 WeakPolarHBondContact O-CA 3.49Å; N728-K770 PolarHBondContact O-N 2.85Å; N728-E771 PolarHBondContact N-O 2.94Å |
| 729 | S | 69 | Low | 77.8 | Confident | 65 Ų | 65 | 48.4 Ų | 48.4 | 46% | 0.455 | 25% | 0.247 | S | C | . | . | trans | -82.5 | -9 | 179.8 | 61.6 | 0 | 0 | 0 | 0 | 113 | F695 T727 | F695-S729 PolarHBondContact O-N 3.1Å; F695-S729 VanDerWaalsContact O-N 3.09Å; F695-S729 PolarHBondContact O-OG 2.95Å; T727-S729 PolarHBondContact O-N 3.18Å | ||
| 730 | S | 68.2 | Low | 77.7 | Confident | 9 Ų | 9 | 46.5 Ų | 46.5 | 6% | 0.063 | 24% | 0.238 | C | C | . | . | trans | -70.1 | 133 | 174.5 | -172.2 | 0 | 0 | 0 | 0 | 111.6 | N728 T732 E733 P769 K770 | N728-S730 VanDerWaalsContact C-N 3.29Å; N728-S730 WeakPolarHBondContact OD1-CB 3.21Å; N728-S730 PolarHBondContact OD1-N 3.1Å; S730-T732 VanDerWaalsContact C-N 3.34Å; S730-T732 PolarHBondContact OG-N 2.8Å; S730-E733 WeakPolarHBondContact CB-O 3.18Å; S730-E733 WeakPolarHBondContact OG-CB 3.41Å; S730-E733 PolarHBondContact OG-N 3.3Å; S730-E733 PolarHBondContact OG-O 2.91Å; S730-P769 WeakPolarHBondContact O-CA 3.32Å; S730-P769 WeakPolarHBondContact O-CB 3.24Å; S730-K770 PolarHBondContact O-N 2.87Å | ||
| 731 | E | 65.2 | Low | 77.4 | Confident | 142 Ų | 142 | 47.9 Ų | 47.9 | 66% | 0.664 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -80.7 | -16.3 | 173.1 | -50.3 | -151.4 | 133.2 | 0 | 0 | 112.9 | K770 | E731-K770 WeakPolarHBondContact OE1-CE 3.44Å; E731-K770 IonicContact OE1-NZ 3.07Å; E731-K770 PolarHBondContact OE1-NZ 2.88Å |
| 732 | T | 62.2 | Low | 77.2 | Confident | 88 Ų | 88 | 41.4 Ų | 41.4 | 54% | 0.54 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -131.2 | -29.7 | -167.4 | 54.1 | 0 | 0 | 0 | 0 | 114.8 | S730 | S730-T732 VanDerWaalsContact C-N 3.34Å; S730-T732 PolarHBondContact OG-N 2.8Å |
| 733 | E | 69.7 | Low | 76.8 | Confident | 27 Ų | 27 | 44 Ų | 44 | 13% | 0.126 | 24% | 0.235 | C | C | . | . | trans | -104.2 | 125 | -171.9 | -56.4 | -65.8 | 151.9 | 0 | 0 | 110.7 | N728 S730 V824 S825 K827 | N728-E733 PolarHBondContact ND2-O 3.16Å; S730-E733 WeakPolarHBondContact CB-O 3.18Å; S730-E733 WeakPolarHBondContact OG-CB 3.41Å; S730-E733 PolarHBondContact OG-N 3.3Å; S730-E733 PolarHBondContact OG-O 2.91Å; E733-V824 HydrophobicContact CB-CG1 4.05Å; E733-S825 PolarHBondContact OE2-OG 3.4Å; E733-K827 WeakPolarHBondContact OE1-CE 3.46Å; E733-K827 IonicContact OE1-NZ 3.61Å | ||
| 734 | P | 74.6 | Confident | 76.4 | Confident | 39 Ų | 39 | 48.3 Ų | 48.3 | 25% | 0.253 | 25% | 0.249 | S | C | . | . | trans | -73.4 | 151.3 | 170.1 | 30.7 | -32.8 | 0 | 0 | 0 | 111.2 | L766 | P734-L766 HydrophobicContact CB-CD1 4.1Š| ||
| 735 | I | 77.1 | Confident | 76.2 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 141 | 176.3 | -65.2 | 176.5 | 0 | 0 | 0 | 108.7 | L696 N728 I738 L766 L767 Y822 T823 V824 | L696-I735 HydrophobicContact CB-CD1 4.1Å; L696-I735 HydrophobicContact CD1-CD1 3.6Å; L696-I735 HydrophobicContact CG-CD1 4.42Å; N728-I735 HydrophobicContact CB-CD1 3.94Å; N728-I735 VanDerWaalsContact CG-CD1 3.45Å; N728-I735 WeakPolarHBondContact OD1-CD1 3.38Å; I735-I738 HydrophobicContact CG2-CD1 3.9Å; I735-I738 HydrophobicContact CG2-CG1 3.76Å; I735-L766 CarbonylContact O-C 3.52Å; I735-L766 WeakPolarHBondContact O-CA 3.49Å; I735-L767 HydrophobicContact CB-CB 4.38Å; I735-L767 PolarHBondContact N-O 2.89Å; I735-L767 PolarHBondContact O-N 2.99Å; I735-Y822 HydrophobicContact CB-CD2 4.44Å; I735-Y822 HydrophobicContact CD1-CD2 4.09Å; I735-Y822 HydrophobicContact CD1-CE2 4.1Å; I735-Y822 HydrophobicContact CG1-CD2 4.18Å; I735-Y822 HydrophobicContact CG1-CE2 4.45Å; I735-Y822 VanDerWaalsContact CG2-CB 3.49Å; I735-Y822 HydrophobicContact CG2-CD2 3.49Å; I735-Y822 VanDerWaalsContact CG2-CD2 3.49Å; I735-Y822 HydrophobicContact CG2-CE2 4.49Å; I735-Y822 HydrophobicContact CG2-CG 3.81Å; I735-T823 WeakPolarHBondContact CA-O 3.35Å; I735-V824 HydrophobicContact CG1-CG2 4.15Å |
| 736 | K | 78.5 | Confident | 75.9 | Confident | 74 Ų | 74 | 52.5 Ų | 52.5 | 32% | 0.322 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 171.3 | 177 | -72.3 | -172.2 | -179.6 | 175.5 | 0 | 112.2 | I738 D765 L766 Y822 T823 W833 | K736-I738 PolarHBondContact O-N 2.87Å; K736-D765 VanDerWaalsContact CA-O 3.3Å; K736-D765 WeakPolarHBondContact CA-O 3.3Å; K736-D765 WeakPolarHBondContact CB-O 3.38Å; K736-D765 WeakPolarHBondContact CG-O 3.33Å; K736-L766 HydrophobicContact CD-CD1 4.12Å; K736-L766 HydrophobicContact CG-CD1 3.47Å; K736-L766 VanDerWaalsContact CG-CD1 3.47Å; K736-Y822 CarbonylContact O-C 3.58Å; K736-Y822 WeakPolarHBondContact O-CA 3.24Å; K736-T823 VanDerWaalsContact CB-OG1 3.28Å; K736-T823 WeakPolarHBondContact CB-OG1 3.47Å; K736-T823 PolarHBondContact N-O 2.75Å; K736-T823 PolarHBondContact O-N 2.75Å; K736-T823 PolarHBondContact O-OG1 3.43Å; K736-T823 VanDerWaalsContact O-OG1 3.06Å; K736-W833 HydrophobicContact CB-CZ3 4.3Å; K736-W833 HydrophobicContact CD-CE3 4.36Å; K736-W833 HydrophobicContact CD-CH2 3.62Å; K736-W833 HydrophobicContact CD-CZ2 4.4Å; K736-W833 HydrophobicContact CD-CZ3 3.58Å; K736-W833 VanDerWaalsContact CE-CH2 3.49Å; K736-W833 HydrophobicContact CG-CH2 4.3Å; K736-W833 HydrophobicContact CG-CZ3 3.92Å |
| 737 | D | 76.2 | Confident | 75.7 | Confident | 80 Ų | 80 | 53 Ų | 53 | 43% | 0.428 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 47 | 49.7 | 172.1 | -51.7 | -40.2 | 0 | 0 | 0 | 114.2 | Q739 D765 T823 | D737-Q739 PolarHBondContact O-N 2.82Å; D737-D765 PolarHBondContact N-O 3.06Å; D737-T823 HydrophobicContact CB-CG2 4.49Å; D737-T823 WeakPolarHBondContact CB-OG1 3.01Å; D737-T823 PolarHBondContact OD2-OG1 2.88Å |
| 738 | I | 80.2 | Confident | 75.3 | Confident | 4 Ų | 4 | 56.5 Ų | 56.5 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 121.5 | -177.3 | -52.4 | 175.2 | 0 | 0 | 0 | 109.6 | L726 I735 K736 I764 L767 V820 E821 | L726-I738 HydrophobicContact CD1-CG2 3.67Å; I735-I738 HydrophobicContact CG2-CD1 3.9Å; I735-I738 HydrophobicContact CG2-CG1 3.76Å; K736-I738 PolarHBondContact O-N 2.87Å; I738-I764 HydrophobicContact CB-CB 4.16Å; I738-I764 PolarHBondContact N-O 3.16Å; I738-I764 PolarHBondContact O-N 2.76Å; I738-I764 VanDerWaalsContact O-N 3.07Å; I738-L767 HydrophobicContact CD1-CB 3.61Å; I738-L767 HydrophobicContact CD1-CD2 3.85Å; I738-L767 HydrophobicContact CD1-CG 4.3Å; I738-V820 HydrophobicContact CG2-CG1 3.47Å; I738-V820 VanDerWaalsContact CG2-CG1 3.47Å; I738-E821 CarbonylContact C-O 3.6Å; I738-E821 VanDerWaalsContact CA-O 3.25Å; I738-E821 WeakPolarHBondContact CA-O 3.39Å |
| 739 | Q | 80.9 | Confident | 74.7 | Confident | 83 Ų | 83 | 57 Ų | 57 | 39% | 0.388 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 122.5 | 178.8 | -172.8 | 177.7 | -2.4 | 0 | 0 | 110.7 | D737 T763 V820 E821 | D737-Q739 PolarHBondContact O-N 2.82Å; Q739-T763 HydrophobicContact CB-CG2 4.37Å; Q739-T763 HydrophobicContact CG-CG2 4.44Å; Q739-V820 CarbonylContact O-C 3.59Å; Q739-V820 VanDerWaalsContact O-CA 3.32Å; Q739-V820 WeakPolarHBondContact O-CA 3.5Å; Q739-E821 PolarHBondContact N-O 2.9Å; Q739-E821 PolarHBondContact O-N 3.32Å |
| 740 | A | 82.4 | Confident | 74.7 | Confident | 28 Ų | 28 | 55.1 Ų | 55.1 | 23% | 0.231 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 131.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | V758 F775 L818 Q819 V820 | A740-V758 HydrophobicContact CB-CG1 4.12Å; A740-F775 HydrophobicContact CB-CE2 4.46Å; A740-L818 HydrophobicContact CB-CD1 4.41Å; A740-Q819 CarbonylContact C-O 3.14Å; A740-Q819 WeakPolarHBondContact CA-O 3.48Å; A740-V820 HydrophobicContact CB-CG2 4.17Å |
| 741 | T | 79.1 | Confident | 74.6 | Confident | 53 Ų | 53 | 56 Ų | 56 | 33% | 0.325 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 150.2 | 178.8 | 53.9 | 0 | 0 | 0 | 0 | 110.1 | Q819 | T741-Q819 PolarHBondContact N-O 2.77Å; T741-Q819 WeakPolarHBondContact O-CA 3.35Å; T741-Q819 PolarHBondContact O-N 3.49Å |
| 742 | I | 81 | Confident | 74.9 | Confident | 22 Ų | 22 | 49.3 Ų | 49.3 | 11% | 0.113 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 128.9 | -179.4 | -59 | 166.9 | 0 | 0 | 0 | 108.3 | P745 L756 V758 L777 T816 I817 L818 | I742-P745 HydrophobicContact CB-CB 4.35Å; I742-P745 HydrophobicContact CG2-CB 4.43Å; I742-P745 WeakPolarHBondContact O-CD 3.37Å; I742-L756 HydrophobicContact CD1-CB 3.58Å; I742-L756 HydrophobicContact CD1-CD2 4.44Å; I742-L756 HydrophobicContact CG2-CB 4.37Å; I742-L756 HydrophobicContact CG2-CD1 4.21Å; I742-V758 HydrophobicContact CD1-CG2 3.63Å; I742-V758 HydrophobicContact CG1-CG2 3.86Å; I742-L777 HydrophobicContact CD1-CD1 3.2Å; I742-L777 HydrophobicContact CG1-CD1 4.33Å; I742-T816 HydrophobicContact CG2-CG2 3.96Å; I742-I817 WeakPolarHBondContact CA-O 3.37Å; I742-L818 HydrophobicContact CG1-CD1 3.91Å |
| 743 | E | 74.5 | Confident | 75.4 | Confident | 64 Ų | 64 | 48.8 Ų | 48.8 | 30% | 0.299 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -66.1 | 135.5 | 169.2 | -160.9 | -179.6 | 157.5 | 0 | 0 | 108.1 | T816 I817 | E743-T816 PolarHBondContact O-OG1 2.84Å; E743-I817 HydrophobicContact CB-CB 4.09Å; E743-I817 PolarHBondContact N-O 3.02Å |
| 744 | R | 75.4 | Confident | 75.9 | Confident | 157 Ų | 157 | 47.5 Ų | 47.5 | 59% | 0.592 | 25% | 0.245 | S | C | * | . | S | Bend | trans | 44.3 | 64.3 | -179.1 | -59.3 | 178.1 | -170 | 171.7 | 3.6 | 113.4 | I746 | R744-I746 PolarHBondContact O-N 3.02Š|
| 745 | P | 79 | Confident | 76.4 | Confident | 52 Ų | 52 | 47.3 Ų | 47.3 | 34% | 0.338 | 24% | 0.243 | S | C | . | . | trans | -65.4 | -13.5 | -178 | 27.7 | -33.6 | 0 | 0 | 0 | 112.8 | I742 V755 L756 | I742-P745 HydrophobicContact CB-CB 4.35Å; I742-P745 HydrophobicContact CG2-CB 4.43Å; I742-P745 WeakPolarHBondContact O-CD 3.37Å; P745-V755 CarbonylContact O-C 3.45Å; P745-V755 WeakPolarHBondContact O-CA 3.34Å; P745-L756 WeakPolarHBondContact CB-O 3.39Å; P745-L756 WeakPolarHBondContact O-CD1 3.48Å; P745-L756 PolarHBondContact O-N 2.62Å | ||
| 746 | I | 77.4 | Confident | 76.7 | Confident | 83 Ų | 83 | 47.6 Ų | 47.6 | 43% | 0.426 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 125.4 | -178.4 | -53.6 | 174.2 | 0 | 0 | 0 | 109.1 | R744 W753 V754 V755 | R744-I746 PolarHBondContact O-N 3.02Å; I746-W753 HydrophobicContact CG2-CE3 3.86Å; I746-W753 HydrophobicContact CG2-CZ3 4.34Å; I746-V754 VanDerWaalsContact CA-O 3.31Å; I746-V754 WeakPolarHBondContact CA-O 3.4Å; I746-V755 HydrophobicContact CG1-CG1 4.3Å; I746-V755 HydrophobicContact CG1-CG2 4.29Å; I746-V755 HydrophobicContact CG2-CG2 4.42Å |
| 747 | F | 77 | Confident | 76.8 | Confident | 14 Ų | 14 | 49.1 Ų | 49.1 | 6% | 0.061 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 166 | 175 | 64.4 | -90.6 | 0 | 0 | 0 | 111.8 | V754 L756 H814 L844 | F747-V754 HydrophobicContact CD1-CB 4.23Å; F747-V754 HydrophobicContact CD2-CB 4.04Å; F747-V754 HydrophobicContact CD2-CG2 4.2Å; F747-V754 HydrophobicContact CE1-CB 3.82Å; F747-V754 HydrophobicContact CE1-CG1 3.69Å; F747-V754 HydrophobicContact CE2-CB 3.62Å; F747-V754 HydrophobicContact CE2-CG1 4.03Å; F747-V754 HydrophobicContact CE2-CG2 3.64Å; F747-V754 HydrophobicContact CG-CB 4.33Å; F747-V754 HydrophobicContact CZ-CB 3.51Å; F747-V754 HydrophobicContact CZ-CG1 3.41Å; F747-V754 VanDerWaalsContact CZ-CG1 3.41Å; F747-V754 HydrophobicContact CZ-CG2 3.93Å; F747-V754 PolarHBondContact N-O 3.03Å; F747-V754 PolarHBondContact O-N 2.86Å; F747-L756 HydrophobicContact CD1-CD1 4.15Å; F747-L756 HydrophobicContact CE1-CD1 3.65Å; F747-H814 AromaticContact CD1-CD2 3.36Å; F747-H814 WeakPolarHBondContact CD1-CD2 3.42Å; F747-H814 AromaticContact CD1-NE2 3.72Å; F747-H814 HydrophobicContact CD2-CB 3.69Å; F747-H814 AromaticContact CD2-CD2 3.67Å; F747-H814 AromaticContact CD2-CG 3.44Å; F747-H814 VanDerWaalsContact CD2-CG 3.44Å; F747-H814 AromaticContact CD2-ND1 3.82Å; F747-H814 HydrophobicContact CE1-CB 4.37Å; F747-H814 AromaticContact CE1-CD2 3.54Å; F747-H814 HydrophobicContact CE2-CB 3.29Å; F747-H814 AromaticContact CE2-CD2 3.84Å; F747-H814 AromaticContact CE2-CG 3.55Å; F747-H814 HydrophobicContact CG-CB 4.38Å; F747-H814 AromaticContact CG-CD2 3.43Å; F747-H814 VanDerWaalsContact CG-CD2 3.43Å; F747-H814 WeakPolarHBondContact CG-CD2 3.47Å; F747-H814 AromaticContact CG-CE1 3.93Å; F747-H814 AromaticContact CG-CG 3.69Å; F747-H814 AromaticContact CG-ND1 4Å; F747-H814 AromaticContact CG-NE2 3.61Å; F747-H814 HydrophobicContact CZ-CB 3.67Å; F747-H814 AromaticContact CZ-CD2 3.76Å; F747-H814 AromaticContact CZ-CG 3.89Å; F747-L844 HydrophobicContact CE1-CD1 4.1Å; F747-L844 HydrophobicContact CZ-CB 4.28Å; F747-L844 HydrophobicContact CZ-CD1 3.81Å |
| 748 | Q | 73.4 | Confident | 77 | Confident | 101 Ų | 101 | 46.2 Ų | 46.2 | 47% | 0.472 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 129.5 | 179.5 | -166.9 | 177.5 | 10 | 0 | 0 | 111.3 | W753 | Q748-W753 HydrophobicContact CB-CE3 4.47Å; Q748-W753 HydrophobicContact CB-CZ3 4.38Å |
| 749 | G | 68 | Low | 76.7 | Confident | 11 Ų | 11 | 49.1 Ų | 49.1 | 11% | 0.113 | 25% | 0.252 | C | S | . | . | trans | -101.9 | -155.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | G751 T752 | G749-G751 PolarHBondContact O-N 2.93Å; G749-T752 PolarHBondContact N-O 3.25Å | ||
| 750 | C | 69.2 | Low | 75.8 | Confident | 26 Ų | 26 | 49.1 Ų | 49.1 | 18% | 0.176 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -62.9 | 73.4 | 174.6 | -64.9 | 0 | 0 | 0 | 0 | 112.5 | T752 R810 S812 I846 | C750-T752 VanDerWaalsContact C-N 3.33Å; C750-T752 PolarHBondContact O-N 3.5Å; C750-R810 PolarHBondContact SG-O 3.04Å; C750-S812 PolarHBondContact N-OG 2.84Å; C750-S812 PolarHBondContact SG-OG 3.24Å; C750-I846 HydrophobicContact CB-CG2 4.22Å; C750-I846 PolarHBondContact SG-O 3.08Å; C750-I846 VanDerWaalsContact SG-O 3.32Å |
| 751 | G | 65.5 | Low | 74.8 | Confident | 29 Ų | 29 | 54.3 Ų | 54.3 | 30% | 0.299 | 29% | 0.288 | S | S | . | . | S | Bend | trans | 78.7 | 5.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | G749 | G749-G751 PolarHBondContact O-N 2.93Š|
| 752 | T | 70.8 | Confident | 73.9 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.006 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -127.2 | 160.2 | -178.8 | 43.1 | 0 | 0 | 0 | 0 | 111.2 | A716 G749 C750 P959 | A716-T752 HydrophobicContact CB-CG2 4.13Å; G749-T752 PolarHBondContact N-O 3.25Å; C750-T752 VanDerWaalsContact C-N 3.33Å; C750-T752 PolarHBondContact O-N 3.5Å; T752-P959 HydrophobicContact CG2-CB 3.65Å; T752-P959 HydrophobicContact CG2-CG 3.43Å; T752-P959 VanDerWaalsContact CG2-CG 3.43Å |
| 753 | W | 74.3 | Confident | 73.1 | Confident | 77 Ų | 77 | 58.9 Ų | 58.9 | 29% | 0.292 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 135.2 | 168 | -68.8 | 98.3 | 0 | 0 | 0 | 109.7 | I746 Q748 C781 N782 | I746-W753 HydrophobicContact CG2-CE3 3.86Å; I746-W753 HydrophobicContact CG2-CZ3 4.34Å; Q748-W753 HydrophobicContact CB-CE3 4.47Å; Q748-W753 HydrophobicContact CB-CZ3 4.38Å; W753-C781 CarbonylContact O-C 3.49Å; W753-C781 WeakPolarHBondContact O-CA 3.39Å; W753-N782 PolarHBondContact N-O 3.26Å; W753-N782 PolarHBondContact O-N 3.12Å |
| 754 | V | 80 | Confident | 72.9 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 119.4 | 174.7 | -173.6 | 0 | 0 | 0 | 0 | 107.6 | I746 F747 V779 S780 L844 I846 | I746-V754 VanDerWaalsContact CA-O 3.31Å; I746-V754 WeakPolarHBondContact CA-O 3.4Å; F747-V754 HydrophobicContact CD1-CB 4.23Å; F747-V754 HydrophobicContact CD2-CB 4.04Å; F747-V754 HydrophobicContact CD2-CG2 4.2Å; F747-V754 HydrophobicContact CE1-CB 3.82Å; F747-V754 HydrophobicContact CE1-CG1 3.69Å; F747-V754 HydrophobicContact CE2-CB 3.62Å; F747-V754 HydrophobicContact CE2-CG1 4.03Å; F747-V754 HydrophobicContact CE2-CG2 3.64Å; F747-V754 HydrophobicContact CG-CB 4.33Å; F747-V754 HydrophobicContact CZ-CB 3.51Å; F747-V754 HydrophobicContact CZ-CG1 3.41Å; F747-V754 VanDerWaalsContact CZ-CG1 3.41Å; F747-V754 HydrophobicContact CZ-CG2 3.93Å; F747-V754 PolarHBondContact N-O 3.03Å; F747-V754 PolarHBondContact O-N 2.86Å; V754-V779 HydrophobicContact CG1-CG1 3.69Å; V754-S780 WeakPolarHBondContact CA-O 3.41Å; V754-L844 HydrophobicContact CG1-CD1 4.21Å; V754-I846 HydrophobicContact CG2-CD1 3.76Å; V754-I846 HydrophobicContact CG2-CG1 3.93Å |
| 755 | V | 83.9 | Confident | 72.6 | Confident | 35 Ų | 35 | 56.1 Ų | 56.1 | 21% | 0.212 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 128.2 | 177.9 | -177 | 0 | 0 | 0 | 0 | 108.8 | P745 I746 E757 V779 S780 | P745-V755 CarbonylContact O-C 3.45Å; P745-V755 WeakPolarHBondContact O-CA 3.34Å; I746-V755 HydrophobicContact CG1-CG1 4.3Å; I746-V755 HydrophobicContact CG1-CG2 4.29Å; I746-V755 HydrophobicContact CG2-CG2 4.42Å; V755-E757 HydrophobicContact CG1-CG 4.16Å; V755-V779 WeakPolarHBondContact O-CA 3.18Å; V755-S780 PolarHBondContact N-O 3.05Å; V755-S780 PolarHBondContact O-N 3.18Å |
| 756 | L | 83.4 | Confident | 72.6 | Confident | 6 Ų | 6 | 58.3 Ų | 58.3 | 3% | 0.031 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 124.7 | 173.5 | -62.1 | 122.1 | 0 | 0 | 0 | 110.3 | I742 P745 F747 L777 L778 V779 T816 I842 L844 | I742-L756 HydrophobicContact CD1-CB 3.58Å; I742-L756 HydrophobicContact CD1-CD2 4.44Å; I742-L756 HydrophobicContact CG2-CB 4.37Å; I742-L756 HydrophobicContact CG2-CD1 4.21Å; P745-L756 WeakPolarHBondContact CB-O 3.39Å; P745-L756 WeakPolarHBondContact O-CD1 3.48Å; P745-L756 PolarHBondContact O-N 2.62Å; F747-L756 HydrophobicContact CD1-CD1 4.15Å; F747-L756 HydrophobicContact CE1-CD1 3.65Å; L756-L777 HydrophobicContact CB-CD1 4.14Å; L756-L777 HydrophobicContact CD2-CD1 3.76Å; L756-L777 HydrophobicContact CD2-CD2 3.93Å; L756-L777 HydrophobicContact CD2-CG 4.09Å; L756-L778 CarbonylContact C-O 3.5Å; L756-L778 WeakPolarHBondContact CA-O 3.5Å; L756-V779 HydrophobicContact CD2-CG2 3.97Å; L756-T816 HydrophobicContact CD1-CG2 4Å; L756-I842 HydrophobicContact CD2-CD1 4.37Å; L756-L844 HydrophobicContact CD1-CD1 4.49Å; L756-L844 HydrophobicContact CD2-CD1 3.88Å; L756-L844 HydrophobicContact CG-CD1 4.35Å |
| 757 | E | 81.9 | Confident | 72.7 | Confident | 105 Ų | 105 | 54.6 Ų | 54.6 | 49% | 0.491 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 144.7 | 174.4 | -67 | -175.2 | 161.5 | 0 | 0 | 110.9 | V755 L778 | V755-E757 HydrophobicContact CG1-CG 4.16Å; E757-L778 HydrophobicContact CB-CB 4.47Å; E757-L778 PolarHBondContact N-O 2.84Å; E757-L778 PolarHBondContact O-N 3.17Å |
| 758 | V | 79.9 | Confident | 72.7 | Confident | 19 Ų | 19 | 54.3 Ų | 54.3 | 12% | 0.115 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 123.5 | 175 | -177.8 | 0 | 0 | 0 | 0 | 109.1 | A740 I742 F775 Y776 L818 | A740-V758 HydrophobicContact CB-CG1 4.12Å; I742-V758 HydrophobicContact CD1-CG2 3.63Å; I742-V758 HydrophobicContact CG1-CG2 3.86Å; V758-F775 HydrophobicContact CG1-CD2 3.81Å; V758-F775 HydrophobicContact CG1-CE2 4.48Å; V758-Y776 WeakPolarHBondContact CA-O 3.19Å; V758-L818 HydrophobicContact CG2-CD1 4.46Å |
| 759 | E | 73.1 | Confident | 72.9 | Confident | 66 Ų | 66 | 52 Ų | 52 | 31% | 0.308 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 132.8 | 176.3 | -69.1 | -170.4 | 136.7 | 0 | 0 | 111.2 | R721 Y776 | R721-E759 IonicContact CZ-OE2 3.01Å; R721-E759 IonicContact NE-OE2 3.66Å; R721-E759 IonicContact NH2-OE2 3.56Å; R721-E759 PolarHBondContact NH2-OE2 2.64Å; E759-Y776 PolarHBondContact N-O 2.85Å; E759-Y776 PolarHBondContact O-N 3Å |
| 760 | P | 62.5 | Low | 73.4 | Confident | 82 Ų | 82 | 57.3 Ų | 57.3 | 53% | 0.532 | 32% | 0.32 | S | S | . | . | cis | -74.3 | 151.5 | -8 | 31 | -33.2 | 0 | 0 | 0 | 111.8 | V762 | P760-V762 HydrophobicContact CB-CB 4.41Å; P760-V762 HydrophobicContact CB-CG2 4.3Å; P760-V762 PolarHBondContact O-N 3.14Å | ||
| 761 | T | 61.7 | Low | 74.1 | Confident | 137 Ų | 137 | 61.1 Ų | 61.1 | 84% | 0.84 | 34% | 0.335 | S | S | * | . | trans | -73.9 | 3.5 | 171.8 | 24.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 762 | V | 59.5 | Low | 75 | Confident | 105 Ų | 105 | 65 Ų | 65 | 64% | 0.636 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -77.9 | 131.4 | -177.7 | -177.3 | 0 | 0 | 0 | 0 | 109.7 | P760 | P760-V762 HydrophobicContact CB-CB 4.41Å; P760-V762 HydrophobicContact CB-CG2 4.3Å; P760-V762 PolarHBondContact O-N 3.14Å |
| 763 | T | 64 | Low | 75.7 | Confident | 66 Ų | 66 | 66.6 Ų | 66.6 | 41% | 0.405 | 35% | 0.353 | S | S | . | . | trans | -62.5 | 134.7 | 172.4 | 45 | 0 | 0 | 0 | 0 | 110.4 | Q739 | Q739-T763 HydrophobicContact CB-CG2 4.37Å; Q739-T763 HydrophobicContact CG-CG2 4.44Å | ||
| 764 | I | 70.2 | Confident | 76.1 | Confident | 48 Ų | 48 | 66.8 Ų | 66.8 | 25% | 0.246 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 115.3 | 177.4 | -56.9 | 162.8 | 0 | 0 | 0 | 107.7 | I738 V773 | I738-I764 HydrophobicContact CB-CB 4.16Å; I738-I764 PolarHBondContact N-O 3.16Å; I738-I764 PolarHBondContact O-N 2.76Å; I738-I764 VanDerWaalsContact O-N 3.07Å; I764-V773 HydrophobicContact CD1-CB 4.27Å; I764-V773 HydrophobicContact CD1-CG1 3.64Å; I764-V773 HydrophobicContact CD1-CG2 3.72Å |
| 765 | D | 70.7 | Confident | 76.2 | Confident | 115 Ų | 115 | 67.1 Ų | 67.1 | 62% | 0.615 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.6 | -35 | -167.5 | -63.4 | -26.1 | 0 | 0 | 0 | 113.9 | K736 D737 | K736-D765 VanDerWaalsContact CA-O 3.3Å; K736-D765 WeakPolarHBondContact CA-O 3.3Å; K736-D765 WeakPolarHBondContact CB-O 3.38Å; K736-D765 WeakPolarHBondContact CG-O 3.33Å; D737-D765 PolarHBondContact N-O 3.06Å |
| 766 | L | 78.1 | Confident | 76.2 | Confident | 98 Ų | 98 | 69.8 Ų | 69.8 | 51% | 0.513 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 132.1 | -176.6 | -171.1 | 76.3 | 0 | 0 | 0 | 111.7 | P734 I735 K736 | P734-L766 HydrophobicContact CB-CD1 4.1Å; I735-L766 CarbonylContact O-C 3.52Å; I735-L766 WeakPolarHBondContact O-CA 3.49Å; K736-L766 HydrophobicContact CD-CD1 4.12Å; K736-L766 HydrophobicContact CG-CD1 3.47Å; K736-L766 VanDerWaalsContact CG-CD1 3.47Å |
| 767 | L | 78.9 | Confident | 76.3 | Confident | 5 Ų | 5 | 69.5 Ų | 69.5 | 3% | 0.026 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 109.8 | 169.1 | -166.8 | 72.9 | 0 | 0 | 0 | 108.6 | L696 N728 I735 I738 E771 V773 | L696-L767 HydrophobicContact CD1-CD2 4.03Å; N728-L767 HydrophobicContact CB-CD2 3.95Å; N728-L767 HydrophobicContact CB-CG 4.26Å; N728-L767 PolarHBondContact ND2-O 2.88Å; I735-L767 HydrophobicContact CB-CB 4.38Å; I735-L767 PolarHBondContact N-O 2.89Å; I735-L767 PolarHBondContact O-N 2.99Å; I738-L767 HydrophobicContact CD1-CB 3.61Å; I738-L767 HydrophobicContact CD1-CD2 3.85Å; I738-L767 HydrophobicContact CD1-CG 4.3Å; L767-E771 HydrophobicContact CD1-CB 3.83Å; L767-E771 HydrophobicContact CG-CB 4.07Å; L767-V773 HydrophobicContact CD1-CB 4.11Å; L767-V773 HydrophobicContact CD1-CG1 4.1Å |
| 768 | G | 78 | Confident | 76.5 | Confident | 9 Ų | 9 | 65.7 Ų | 65.7 | 9% | 0.093 | 34% | 0.344 | C | S | . | . | trans | -62.2 | 167 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | N728 K770 E771 | N728-G768 WeakPolarHBondContact CB-O 3.23Å; N728-G768 PolarHBondContact ND2-O 3.12Å; G768-K770 PolarHBondContact O-N 3.17Å; G768-E771 WeakPolarHBondContact CA-OE2 3.07Å; G768-E771 PolarHBondContact N-OE2 2.94Å; G768-E771 WeakPolarHBondContact O-CB 3.08Å; G768-E771 PolarHBondContact O-N 2.69Å; G768-E771 VanDerWaalsContact O-N 3.11Å | ||
| 769 | P | 77.2 | Confident | 76.8 | Confident | 53 Ų | 53 | 64.8 Ų | 64.8 | 34% | 0.344 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | 131.2 | 172.6 | -21.4 | 32.6 | 0 | 0 | 0 | 110.8 | N728 S730 E771 | N728-P769 WeakPolarHBondContact ND2-CA 3.48Å; S730-P769 WeakPolarHBondContact O-CA 3.32Å; S730-P769 WeakPolarHBondContact O-CB 3.24Å; P769-E771 PolarHBondContact O-N 3.06Å; P769-E771 VanDerWaalsContact O-N 3.08Å |
| 770 | K | 78.2 | Confident | 77.4 | Confident | 122 Ų | 122 | 62.8 Ų | 62.8 | 53% | 0.53 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | 5.3 | -175.7 | -54.5 | -115.7 | -175.2 | 179.4 | 0 | 116.3 | N728 S730 E731 G768 | N728-K770 VanDerWaalsContact O-CA 3.29Å; N728-K770 WeakPolarHBondContact O-CA 3.49Å; N728-K770 PolarHBondContact O-N 2.85Å; S730-K770 PolarHBondContact O-N 2.87Å; E731-K770 WeakPolarHBondContact OE1-CE 3.44Å; E731-K770 IonicContact OE1-NZ 3.07Å; E731-K770 PolarHBondContact OE1-NZ 2.88Å; G768-K770 PolarHBondContact O-N 3.17Å |
| 771 | E | 85.1 | Confident | 78.5 | Confident | 106 Ų | 106 | 58.9 Ų | 58.9 | 50% | 0.495 | 31% | 0.307 | S | S | . | . | trans | -74.6 | 159.8 | 172.8 | -71.1 | -171.2 | 160 | 0 | 0 | 111.6 | T727 N728 L767 G768 P769 | T727-E771 WeakPolarHBondContact CA-O 3.38Å; N728-E771 PolarHBondContact N-O 2.94Å; L767-E771 HydrophobicContact CD1-CB 3.83Å; L767-E771 HydrophobicContact CG-CB 4.07Å; G768-E771 WeakPolarHBondContact CA-OE2 3.07Å; G768-E771 PolarHBondContact N-OE2 2.94Å; G768-E771 WeakPolarHBondContact O-CB 3.08Å; G768-E771 PolarHBondContact O-N 2.69Å; G768-E771 VanDerWaalsContact O-N 3.11Å; P769-E771 PolarHBondContact O-N 3.06Å; P769-E771 VanDerWaalsContact O-N 3.08Å | ||
| 772 | F | 83.7 | Confident | 79 | Confident | 110 Ų | 110 | 54.4 Ų | 54.4 | 48% | 0.482 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 155.4 | 177.9 | 61.8 | -95 | 0 | 0 | 0 | 111.9 | K725 L726 T727 Y774 | K725-F772 HydrophobicContact CD-CB 4.49Å; K725-F772 HydrophobicContact CD-CD2 4.35Å; K725-F772 VanDerWaalsContact CE-CB 3.47Å; K725-F772 HydrophobicContact CG-CB 4.16Å; K725-F772 HydrophobicContact CG-CD2 4.4Å; L726-F772 CarbonylContact O-C 3.58Å; L726-F772 WeakPolarHBondContact O-CA 3.47Å; L726-F772 WeakPolarHBondContact O-CB 3.39Å; T727-F772 HydrophobicContact CG2-CB 4.38Å; F772-Y774 HydrophobicContact CD2-CD2 4.38Å; F772-Y774 AromaticContact CD2-CE2 3.88Å; F772-Y774 HydrophobicContact CD2-CE2 3.88Å; F772-Y774 HydrophobicContact CE2-CD2 4.46Å; F772-Y774 AromaticContact CE2-CE2 3.73Å; F772-Y774 HydrophobicContact CE2-CE2 3.73Å |
| 773 | V | 85.6 | Confident | 79.2 | Confident | 34 Ų | 34 | 50.6 Ų | 50.6 | 21% | 0.206 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 149.2 | 178.5 | 64.6 | 0 | 0 | 0 | 0 | 110.4 | K725 L726 I764 L767 | K725-V773 CarbonylContact C-O 3.58Å; K725-V773 WeakPolarHBondContact CA-O 3.48Å; L726-V773 HydrophobicContact CB-CG1 3.95Å; L726-V773 HydrophobicContact CD1-CG1 4.12Å; L726-V773 HydrophobicContact CG-CG1 4.28Å; L726-V773 PolarHBondContact N-O 2.8Å; L726-V773 PolarHBondContact O-N 2.88Å; I764-V773 HydrophobicContact CD1-CB 4.27Å; I764-V773 HydrophobicContact CD1-CG1 3.64Å; I764-V773 HydrophobicContact CD1-CG2 3.72Å; L767-V773 HydrophobicContact CD1-CB 4.11Å; L767-V773 HydrophobicContact CD1-CG1 4.1Å |
| 774 | Y | 82.2 | Confident | 78.8 | Confident | 81 Ų | 81 | 55.7 Ų | 55.7 | 32% | 0.318 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 143.6 | 179.2 | -71.2 | -83.8 | 0 | 0 | 0 | 111.4 | E723 I724 K725 F772 | E723-Y774 HydrophobicContact CG-CD1 3.71Å; E723-Y774 HydrophobicContact CG-CE1 4.27Å; I724-Y774 CarbonylContact O-C 3.5Å; I724-Y774 VanDerWaalsContact O-CA 3.31Å; I724-Y774 WeakPolarHBondContact O-CA 3.42Å; K725-Y774 HydrophobicContact CB-CD1 3.95Å; K725-Y774 HydrophobicContact CB-CE1 3.71Å; K725-Y774 HydrophobicContact CD-CE1 4.09Å; K725-Y774 HydrophobicContact CG-CD1 4.42Å; K725-Y774 HydrophobicContact CG-CE1 4.03Å; F772-Y774 HydrophobicContact CD2-CD2 4.38Å; F772-Y774 AromaticContact CD2-CE2 3.88Å; F772-Y774 HydrophobicContact CD2-CE2 3.88Å; F772-Y774 HydrophobicContact CE2-CD2 4.46Å; F772-Y774 AromaticContact CE2-CE2 3.73Å; F772-Y774 HydrophobicContact CE2-CE2 3.73Å |
| 775 | F | 83.1 | Confident | 77.7 | Confident | 7 Ų | 7 | 59.4 Ų | 59.4 | 3% | 0.031 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 159.5 | 169.1 | 60.4 | -74.9 | 0 | 0 | 0 | 109.4 | I724 L726 A740 V758 L818 | I724-F775 HydrophobicContact CB-CD1 4.17Å; I724-F775 HydrophobicContact CB-CD2 4.14Å; I724-F775 HydrophobicContact CB-CE1 3.61Å; I724-F775 HydrophobicContact CB-CE2 3.72Å; I724-F775 HydrophobicContact CB-CG 4.4Å; I724-F775 HydrophobicContact CB-CZ 3.45Å; I724-F775 VanDerWaalsContact CB-CZ 3.45Å; I724-F775 HydrophobicContact CD1-CD2 4.37Å; I724-F775 HydrophobicContact CD1-CE2 3.66Å; I724-F775 HydrophobicContact CD1-CZ 4.03Å; I724-F775 HydrophobicContact CG1-CE2 4.19Å; I724-F775 HydrophobicContact CG1-CZ 4.31Å; I724-F775 HydrophobicContact CG2-CD1 4.45Å; I724-F775 HydrophobicContact CG2-CE1 3.46Å; I724-F775 VanDerWaalsContact CG2-CE1 3.46Å; I724-F775 HydrophobicContact CG2-CE2 3.94Å; I724-F775 HydrophobicContact CG2-CZ 3.21Å; I724-F775 PolarHBondContact N-O 2.02Å; I724-F775 WeakPolarHBondContact O-CD1 3.43Å; I724-F775 PolarHBondContact O-N 3.05Å; L726-F775 HydrophobicContact CD1-CD1 4.24Å; L726-F775 HydrophobicContact CD1-CE1 3.9Å; L726-F775 HydrophobicContact CD2-CD1 4.44Å; L726-F775 HydrophobicContact CD2-CE1 3.38Å; L726-F775 HydrophobicContact CD2-CZ 3.8Å; L726-F775 HydrophobicContact CG-CD1 3.94Å; L726-F775 HydrophobicContact CG-CE1 3.33Å; L726-F775 HydrophobicContact CG-CZ 4.21Å; A740-F775 HydrophobicContact CB-CE2 4.46Å; V758-F775 HydrophobicContact CG1-CD2 3.81Å; V758-F775 HydrophobicContact CG1-CE2 4.48Å; F775-L818 HydrophobicContact CE2-CD1 4.34Å; F775-L818 HydrophobicContact CE2-CD2 3.85Å; F775-L818 HydrophobicContact CZ-CD2 3.8Å |
| 776 | Y | 83.5 | Confident | 76.3 | Confident | 91 Ų | 91 | 59.6 Ų | 59.6 | 36% | 0.357 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 134.4 | -176.7 | -58.3 | -74.9 | 0 | 0 | 0 | 110.3 | I722 E723 V758 E759 | I722-Y776 CarbonylContact O-C 3.43Å; I722-Y776 WeakPolarHBondContact O-CA 3.15Å; E723-Y776 HydrophobicContact CB-CD1 4.07Å; E723-Y776 HydrophobicContact CB-CE1 3.93Å; E723-Y776 HydrophobicContact CG-CD1 4.19Å; E723-Y776 HydrophobicContact CG-CE1 3.7Å; E723-Y776 WeakPolarHBondContact OE1-CE1 3.25Å; E723-Y776 PolarHBondContact OE1-OH 2.88Å; V758-Y776 WeakPolarHBondContact CA-O 3.19Å; E759-Y776 PolarHBondContact N-O 2.85Å; E759-Y776 PolarHBondContact O-N 3Å |
| 777 | L | 84.6 | Confident | 74.6 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 105.5 | 168 | 175.9 | 69.7 | 0 | 0 | 0 | 108.1 | I722 I724 I742 L756 V779 I842 | I722-L777 HydrophobicContact CB-CB 4.18Å; I722-L777 HydrophobicContact CD1-CD2 4.13Å; I722-L777 PolarHBondContact N-O 3.09Å; I722-L777 PolarHBondContact O-N 2.97Å; I724-L777 HydrophobicContact CD1-CB 3.82Å; I724-L777 HydrophobicContact CD1-CD2 4.28Å; I742-L777 HydrophobicContact CD1-CD1 3.2Å; I742-L777 HydrophobicContact CG1-CD1 4.33Å; L756-L777 HydrophobicContact CB-CD1 4.14Å; L756-L777 HydrophobicContact CD2-CD1 3.76Å; L756-L777 HydrophobicContact CD2-CD2 3.93Å; L756-L777 HydrophobicContact CD2-CG 4.09Å; L777-V779 HydrophobicContact CD2-CG2 4.36Å; L777-V779 HydrophobicContact CG-CG2 4.1Å; L777-I842 HydrophobicContact CD2-CD1 3.74Å; L777-I842 HydrophobicContact CD2-CG1 4.47Å; L777-I842 HydrophobicContact CD2-CG2 4.47Å |
| 778 | L | 86.4 | Confident | 72.5 | Confident | 26 Ų | 26 | 67.8 Ų | 67.8 | 14% | 0.136 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 116.5 | 176.3 | -176.7 | 68.4 | 0 | 0 | 0 | 109.1 | T719 R721 L756 E757 | T719-L778 HydrophobicContact CG2-CD1 3.64Å; T719-L778 HydrophobicContact CG2-CG 4.31Å; R721-L778 HydrophobicContact CG-CD1 3.42Å; R721-L778 VanDerWaalsContact CG-CD1 3.42Å; L756-L778 CarbonylContact C-O 3.5Å; L756-L778 WeakPolarHBondContact CA-O 3.5Å; E757-L778 HydrophobicContact CB-CB 4.47Å; E757-L778 PolarHBondContact N-O 2.84Å; E757-L778 PolarHBondContact O-N 3.17Å |
| 779 | V | 87.5 | Confident | 70.3 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 111.9 | 178.4 | -169.3 | 0 | 0 | 0 | 0 | 109.1 | L714 T719 V720 I722 V754 V755 L756 L777 L844 | L714-V779 HydrophobicContact CD1-CB 4.06Å; L714-V779 HydrophobicContact CD1-CG1 3.48Å; L714-V779 VanDerWaalsContact CD1-CG1 3.48Å; T719-V779 CarbonylContact C-O 3.53Å; T719-V779 VanDerWaalsContact CA-O 3.3Å; T719-V779 WeakPolarHBondContact CA-O 3.28Å; V720-V779 PolarHBondContact N-O 3.34Å; V720-V779 PolarHBondContact O-N 2.9Å; I722-V779 HydrophobicContact CD1-CG2 3.95Å; V754-V779 HydrophobicContact CG1-CG1 3.69Å; V755-V779 WeakPolarHBondContact O-CA 3.18Å; L756-V779 HydrophobicContact CD2-CG2 3.97Å; L777-V779 HydrophobicContact CD2-CG2 4.36Å; L777-V779 HydrophobicContact CG-CG2 4.1Å; V779-L844 HydrophobicContact CG1-CD1 3.67Å; V779-L844 HydrophobicContact CG2-CD1 4.38Å |
| 780 | S | 84.7 | Confident | 67.9 | Low | 24 Ų | 24 | 79.2 Ų | 79.2 | 17% | 0.168 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 120.8 | -178.3 | -55.4 | 0 | 0 | 0 | 0 | 110.7 | T719 V754 V755 | T719-S780 WeakPolarHBondContact CG2-OG 3.43Å; V754-S780 WeakPolarHBondContact CA-O 3.41Å; V755-S780 PolarHBondContact N-O 3.05Å; V755-S780 PolarHBondContact O-N 3.18Å |
| 781 | C | 84.9 | Confident | 65.6 | Low | 0 Ų | 0 | 79.4 Ų | 79.4 | 0% | 0 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 69.8 | -179 | -55.2 | 0 | 0 | 0 | 0 | 111 | G717 Q718 W753 | G717-C781 CarbonylContact C-O 3.57Å; G717-C781 WeakPolarHBondContact CA-O 2.75Å; G717-C781 PolarHBondContact N-O 2.77Å; Q718-C781 WeakPolarHBondContact O-CB 3.29Å; Q718-C781 PolarHBondContact O-N 3.17Å; W753-C781 CarbonylContact O-C 3.49Å; W753-C781 WeakPolarHBondContact O-CA 3.39Å |
| 782 | N | 72 | Confident | 62.7 | Low | 43 Ų | 43 | 80.5 Ų | 80.5 | 23% | 0.23 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 168.4 | -171.7 | -64.8 | -25.2 | 0 | 0 | 0 | 112 | G717 W753 R784 | G717-N782 PolarHBondContact O-OD1 2.84Å; W753-N782 PolarHBondContact N-O 3.26Å; W753-N782 PolarHBondContact O-N 3.12Å; N782-R784 VanDerWaalsContact C-N 3.34Å |
| 783 | D | 65.6 | Low | 60 | Low | 24 Ų | 24 | 79.9 Ų | 79.9 | 13% | 0.128 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -77.3 | -20.6 | 175.9 | -63.5 | -38.8 | 0 | 0 | 0 | 113.7 | F785 P959 L960 | D783-F785 PolarHBondContact O-N 3.15Å; D783-P959 WeakPolarHBondContact OD1-CB 3.39Å; D783-P959 VanDerWaalsContact OD2-CA 3.26Å; D783-P959 WeakPolarHBondContact OD2-CA 3.45Å; D783-L960 PolarHBondContact OD2-N 3.5Å |
| 784 | R | 54.9 | Low | 57.1 | Low | 173 Ų | 173 | 90.5 Ų | 90.5 | 65% | 0.653 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -71.5 | 119.1 | -169.8 | -74.3 | -166.7 | 179.1 | -173.7 | 1.9 | 111.5 | N782 | N782-R784 VanDerWaalsContact C-N 3.34Š|
| 785 | F | 47.2 | Very low | 54.3 | Low | 127 Ų | 127 | 91.9 Ų | 91.9 | 56% | 0.557 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -84.6 | 116.2 | 156.2 | -158.5 | -95.6 | 0 | 0 | 0 | 107.5 | D783 S787 | D783-F785 PolarHBondContact O-N 3.15Å; F785-S787 PolarHBondContact O-N 2.9Å |
| 786 | D | 40.6 | Very low | 51.6 | Low | 118 Ų | 118 | 96.2 Ų | 96.2 | 63% | 0.631 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -69.5 | 123.1 | 177.8 | -155.1 | 13.6 | 0 | 0 | 0 | 109.1 | R788 | D786-R788 PolarHBondContact O-N 3.48Å; D786-R788 VanDerWaalsContact O-N 3.11Å |
| 787 | S | 42.5 | Very low | 48.9 | Very low | 74 Ų | 74 | 100.6 Ų | 100.6 | 52% | 0.517 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -72.8 | 0.3 | -168.4 | 49.8 | 0 | 0 | 0 | 0 | 114.7 | F785 G789 | F785-S787 PolarHBondContact O-N 2.9Å; S787-G789 PolarHBondContact O-N 3.45Å |
| 788 | R | 35.3 | Very low | 46.2 | Very low | 202 Ų | 202 | 108.1 Ų | 108.1 | 76% | 0.762 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -77.4 | 98.4 | 173.4 | -64.9 | -178.5 | -171.9 | -171.6 | 2.9 | 108.1 | D786 R790 | D786-R788 PolarHBondContact O-N 3.48Å; D786-R788 VanDerWaalsContact O-N 3.11Å; R788-R790 PolarHBondContact O-N 3.21Å |
| 789 | G | 31 | Very low | 43.3 | Very low | 73 Ų | 73 | 110.6 Ų | 110.6 | 75% | 0.753 | 58% | 0.579 | S | S | * | * | trans | -56.7 | 51.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | S787 T791 | S787-G789 PolarHBondContact O-N 3.45Å; G789-T791 PolarHBondContact O-N 2.85Å | ||
| 790 | R | 28.1 | Very low | 40.5 | Very low | 228 Ų | 228 | 114 Ų | 114 | 86% | 0.86 | 60% | 0.601 | S | S | * | * | trans | -76.9 | 68.9 | 163.1 | -81 | -174.4 | 175.4 | 179.9 | -1.7 | 108.3 | R788 T792 | R788-R790 PolarHBondContact O-N 3.21Å; R790-T792 VanDerWaalsContact C-N 3.32Å; R790-T792 PolarHBondContact O-N 3.39Å; R790-T792 VanDerWaalsContact O-N 3.09Å | ||
| 791 | T | 28.2 | Very low | 37.8 | Very low | 127 Ų | 127 | 121.1 Ų | 121.1 | 78% | 0.779 | 63% | 0.632 | S | S | * | * | trans | -70.5 | 94.3 | 155.3 | 50.2 | 0 | 0 | 0 | 0 | 108 | G789 | G789-T791 PolarHBondContact O-N 2.85Š| ||
| 792 | T | 25.3 | Very low | 35.1 | Very low | 128 Ų | 128 | 124.8 Ų | 124.8 | 79% | 0.785 | 66% | 0.658 | S | S | * | * | trans | -86.8 | 116 | 148.7 | 42.4 | 0 | 0 | 0 | 0 | 107.9 | R790 | R790-T792 VanDerWaalsContact C-N 3.32Å; R790-T792 PolarHBondContact O-N 3.39Å; R790-T792 VanDerWaalsContact O-N 3.09Å | ||
| 793 | S | 26.6 | Very low | 33.1 | Very low | 97 Ų | 97 | 128 Ų | 128 | 68% | 0.678 | 68% | 0.675 | S | S | * | * | trans | 82.2 | 122.1 | 172.3 | 86 | 0 | 0 | 0 | 0 | 118.3 | T795 | S793-T795 VanDerWaalsContact C-N 3.31Å; S793-T795 PolarHBondContact O-N 2.88Å | ||
| 794 | R | 24.6 | Very low | 31.5 | Very low | 258 Ų | 258 | 135.4 Ų | 135.4 | 97% | 0.974 | 71% | 0.708 | S | S | * | * | trans | -85.4 | 39.6 | -174.7 | -78.2 | 177.3 | 157.6 | -178.1 | -6 | 113.6 | ||||
| 795 | T | 24.5 | Very low | 30.3 | Very low | 110 Ų | 110 | 132 Ų | 132 | 68% | 0.675 | 71% | 0.706 | S | S | * | * | trans | -115.2 | 113.9 | -174 | 26.9 | 0 | 0 | 0 | 0 | 111.9 | S793 | S793-T795 VanDerWaalsContact C-N 3.31Å; S793-T795 PolarHBondContact O-N 2.88Å | ||
| 796 | S | 26.4 | Very low | 29.8 | Very low | 98 Ų | 98 | 131.1 Ų | 131.1 | 69% | 0.685 | 71% | 0.713 | S | S | * | * | trans | 85.2 | 60.7 | 159.8 | -32.4 | 0 | 0 | 0 | 0 | 117.1 | L798 | S796-L798 PolarHBondContact O-N 3.16Å; S796-L798 VanDerWaalsContact O-N 3.15Å | ||
| 797 | L | 26.6 | Very low | 30.2 | Very low | 182 Ų | 182 | 128.8 Ų | 128.8 | 95% | 0.953 | 70% | 0.703 | S | S | * | * | trans | -74.9 | 95.1 | 152.7 | -75 | 165.2 | 0 | 0 | 0 | 107.8 | ||||
| 798 | L | 26.3 | Very low | 30.3 | Very low | 158 Ų | 158 | 129.4 Ų | 129.4 | 83% | 0.827 | 70% | 0.704 | S | S | * | * | trans | -56.6 | 138 | 168.7 | -79.9 | 151.1 | 0 | 0 | 0 | 109.7 | S796 | S796-L798 PolarHBondContact O-N 3.16Å; S796-L798 VanDerWaalsContact O-N 3.15Å | ||
| 799 | S | 27 | Very low | 31.2 | Very low | 78 Ų | 78 | 124.6 Ų | 124.6 | 55% | 0.545 | 69% | 0.693 | S | S | . | * | trans | -62.1 | 145.8 | 177 | 43.4 | 0 | 0 | 0 | 0 | 111.6 | E801 | S799-E801 PolarHBondContact O-N 2.96Š| ||
| 800 | P | 28.9 | Very low | 32.9 | Very low | 72 Ų | 72 | 130 Ų | 130 | 47% | 0.468 | 69% | 0.691 | S | S | . | * | G | 310 helix | trans | -70.7 | 1.6 | -170 | -13.8 | 29.3 | 0 | 0 | 0 | 115.6 | S802 L803 | P800-S802 PolarHBondContact O-N 2.95Å; P800-L803 HydrophobicContact CB-CD1 3.95Å; P800-L803 PolarHBondContact O-N 2.86Å; P800-L803 VanDerWaalsContact O-N 3.11Å |
| 801 | E | 27.5 | Very low | 35 | Very low | 173 Ų | 173 | 122.2 Ų | 122.2 | 81% | 0.808 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -65 | -7.4 | -172.5 | -75.9 | -177.5 | 157.1 | 0 | 0 | 114.5 | S799 | S799-E801 PolarHBondContact O-N 2.96Š|
| 802 | S | 28.1 | Very low | 37.1 | Very low | 77 Ų | 77 | 118 Ų | 118 | 54% | 0.538 | 65% | 0.645 | S | S | . | * | G | 310 helix | trans | -87.4 | -7.3 | 173.4 | 61.4 | 0 | 0 | 0 | 0 | 115.2 | P800 H804 T805 | P800-S802 PolarHBondContact O-N 2.95Å; S802-H804 VanDerWaalsContact C-N 3.26Å; S802-H804 PolarHBondContact O-N 3.34Å; S802-T805 PolarHBondContact O-N 2.98Å; S802-T805 PolarHBondContact O-OG1 3.45Å |
| 803 | L | 29.5 | Very low | 39.7 | Very low | 112 Ų | 112 | 115.5 Ų | 115.5 | 59% | 0.586 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -16 | -177 | -84.3 | 146.4 | 0 | 0 | 0 | 114.3 | P800 T805 | P800-L803 HydrophobicContact CB-CD1 3.95Å; P800-L803 PolarHBondContact O-N 2.86Å; P800-L803 VanDerWaalsContact O-N 3.11Å; L803-T805 VanDerWaalsContact C-N 3.32Å; L803-T805 PolarHBondContact O-N 3.26Å |
| 804 | H | 32 | Very low | 42 | Very low | 179 Ų | 179 | 113.2 Ų | 113.2 | 83% | 0.829 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | 8.2 | 179.9 | -71.9 | -56.9 | 0 | 0 | 0 | 114.7 | S802 P806 | S802-H804 VanDerWaalsContact C-N 3.26Å; S802-H804 PolarHBondContact O-N 3.34Å; H804-P806 WeakPolarHBondContact O-CD 3.09Å |
| 805 | T | 30.4 | Very low | 44.4 | Very low | 100 Ų | 100 | 104.9 Ų | 104.9 | 61% | 0.613 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -75.9 | 122.2 | 174.6 | 50.8 | 0 | 0 | 0 | 0 | 110.1 | S802 L803 V807 | S802-T805 PolarHBondContact O-N 2.98Å; S802-T805 PolarHBondContact O-OG1 3.45Å; L803-T805 VanDerWaalsContact C-N 3.32Å; L803-T805 PolarHBondContact O-N 3.26Å; T805-V807 PolarHBondContact O-N 3.3Å; T805-V807 VanDerWaalsContact O-N 3.17Å |
| 806 | P | 37.3 | Very low | 46.9 | Very low | 110 Ų | 110 | 99.9 Ų | 99.9 | 71% | 0.714 | 56% | 0.558 | S | S | * | * | trans | -59 | 124.7 | 173.2 | 24.9 | -30.8 | 0 | 0 | 0 | 107 | H804 V808 | H804-P806 WeakPolarHBondContact O-CD 3.09Å; P806-V808 PolarHBondContact O-N 3.44Å | ||
| 807 | V | 47.1 | Very low | 49.5 | Very low | 69 Ų | 69 | 97.6 Ų | 97.6 | 42% | 0.418 | 54% | 0.538 | S | S | . | . | trans | -54.3 | 111.8 | -177.5 | 165 | 0 | 0 | 0 | 0 | 108.5 | T805 N809 | T805-V807 PolarHBondContact O-N 3.3Å; T805-V807 VanDerWaalsContact O-N 3.17Å; V807-N809 PolarHBondContact O-N 3.48Å | ||
| 808 | V | 45.6 | Very low | 52 | Low | 86 Ų | 86 | 88.9 Ų | 88.9 | 52% | 0.521 | 49% | 0.492 | S | S | . | . | trans | -63.8 | 120.9 | 162.3 | -168.8 | 0 | 0 | 0 | 0 | 104.2 | P806 R810 | P806-V808 PolarHBondContact O-N 3.44Å; V808-R810 HydrophobicContact CB-CB 4.28Å; V808-R810 HydrophobicContact CG1-CB 3.58Å; V808-R810 VanDerWaalsContact CG1-CD 3.41Å; V808-R810 HydrophobicContact CG1-CG 3.41Å; V808-R810 VanDerWaalsContact CG1-CG 3.41Å; V808-R810 PolarHBondContact O-N 2.93Å | ||
| 809 | N | 54.7 | Low | 54.4 | Low | 101 Ų | 101 | 82.7 Ų | 82.7 | 54% | 0.54 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -63.1 | 33.6 | 170.4 | -78.2 | -13.3 | 0 | 0 | 0 | 112.1 | V807 | V807-N809 PolarHBondContact O-N 3.48Š|
| 810 | R | 65.7 | Low | 57 | Low | 187 Ų | 187 | 79 Ų | 79 | 71% | 0.706 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -102.4 | 142.8 | -177.9 | -80.8 | -179.8 | -156.8 | 174.6 | -2.1 | 109.9 | C750 V808 | C750-R810 PolarHBondContact SG-O 3.04Å; V808-R810 HydrophobicContact CB-CB 4.28Å; V808-R810 HydrophobicContact CG1-CB 3.58Å; V808-R810 VanDerWaalsContact CG1-CD 3.41Å; V808-R810 HydrophobicContact CG1-CG 3.41Å; V808-R810 VanDerWaalsContact CG1-CG 3.41Å; V808-R810 PolarHBondContact O-N 2.93Å |
| 811 | P | 73 | Confident | 59.3 | Low | 65 Ų | 65 | 77 Ų | 77 | 42% | 0.422 | 42% | 0.418 | S | S | . | . | trans | -58.5 | 141.4 | 171.3 | 22.5 | -30.8 | 0 | 0 | 0 | 111.3 | T845 I846 R847 | P811-T845 HydrophobicContact CB-CG2 3.84Å; P811-I846 CarbonylContact C-O 3.52Å; P811-I846 WeakPolarHBondContact CA-O 3.08Å; P811-R847 HydrophobicContact CB-CG 3.91Å | ||
| 812 | S | 72.9 | Confident | 61.7 | Low | 38 Ų | 38 | 68.9 Ų | 68.9 | 27% | 0.266 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 123.7 | 172.5 | 62.5 | 0 | 0 | 0 | 0 | 110 | C750 I846 | C750-S812 PolarHBondContact N-OG 2.84Å; C750-S812 PolarHBondContact SG-OG 3.24Å; S812-I846 PolarHBondContact N-O 3.33Å; S812-I846 PolarHBondContact O-N 2.85Å |
| 813 | T | 77.9 | Confident | 63.9 | Low | 76 Ų | 76 | 66 Ų | 66 | 47% | 0.466 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 126.5 | 175.8 | -54.9 | 0 | 0 | 0 | 0 | 110 | E843 L844 T845 | T813-E843 HydrophobicContact CG2-CG 3.59Å; T813-L844 CarbonylContact C-O 3.52Å; T813-L844 VanDerWaalsContact CA-O 3.32Å; T813-L844 WeakPolarHBondContact CA-O 3.23Å; T813-T845 PolarHBondContact OG1-OG1 2.86Å; T813-T845 VanDerWaalsContact OG1-OG1 3.08Å |
| 814 | H | 75.1 | Confident | 65.8 | Low | 48 Ų | 48 | 60.9 Ų | 60.9 | 22% | 0.222 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 135.3 | 177.3 | -166.3 | 77.1 | 0 | 0 | 0 | 110.5 | F747 E843 L844 | F747-H814 AromaticContact CD1-CD2 3.36Å; F747-H814 WeakPolarHBondContact CD1-CD2 3.42Å; F747-H814 AromaticContact CD1-NE2 3.72Å; F747-H814 HydrophobicContact CD2-CB 3.69Å; F747-H814 AromaticContact CD2-CD2 3.67Å; F747-H814 AromaticContact CD2-CG 3.44Å; F747-H814 VanDerWaalsContact CD2-CG 3.44Å; F747-H814 AromaticContact CD2-ND1 3.82Å; F747-H814 HydrophobicContact CE1-CB 4.37Å; F747-H814 AromaticContact CE1-CD2 3.54Å; F747-H814 HydrophobicContact CE2-CB 3.29Å; F747-H814 AromaticContact CE2-CD2 3.84Å; F747-H814 AromaticContact CE2-CG 3.55Å; F747-H814 HydrophobicContact CG-CB 4.38Å; F747-H814 AromaticContact CG-CD2 3.43Å; F747-H814 VanDerWaalsContact CG-CD2 3.43Å; F747-H814 WeakPolarHBondContact CG-CD2 3.47Å; F747-H814 AromaticContact CG-CE1 3.93Å; F747-H814 AromaticContact CG-CG 3.69Å; F747-H814 AromaticContact CG-ND1 4Å; F747-H814 AromaticContact CG-NE2 3.61Å; F747-H814 HydrophobicContact CZ-CB 3.67Å; F747-H814 AromaticContact CZ-CD2 3.76Å; F747-H814 AromaticContact CZ-CG 3.89Å; H814-E843 CarbonylContact O-C 3.52Å; H814-E843 WeakPolarHBondContact O-CA 3.34Å; H814-L844 PolarHBondContact N-O 3.15Å; H814-L844 PolarHBondContact O-N 2.87Å |
| 815 | C | 75.9 | Confident | 67.4 | Low | 83 Ų | 83 | 53.8 Ų | 53.8 | 56% | 0.561 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 123.4 | 175.5 | -64.2 | 0 | 0 | 0 | 0 | 109.3 | I842 | C815-I842 CarbonylContact C-O 3.59Å; C815-I842 VanDerWaalsContact CA-O 3.27Å; C815-I842 WeakPolarHBondContact CA-O 3.09Å |
| 816 | T | 78.1 | Confident | 68.3 | Low | 6 Ų | 6 | 51.4 Ų | 51.4 | 4% | 0.037 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | -174.8 | 169.9 | -158.9 | 0 | 0 | 0 | 0 | 111.4 | I742 E743 L756 P841 I842 | I742-T816 HydrophobicContact CG2-CG2 3.96Å; E743-T816 PolarHBondContact O-OG1 2.84Å; L756-T816 HydrophobicContact CD1-CG2 4Å; T816-P841 CarbonylContact O-C 3.48Å; T816-P841 WeakPolarHBondContact O-CA 3.44Å; T816-I842 HydrophobicContact CG2-CB 4.03Å; T816-I842 HydrophobicContact CG2-CD1 4.19Å; T816-I842 PolarHBondContact N-O 3.24Å; T816-I842 PolarHBondContact O-N 3.44Å |
| 817 | I | 79.2 | Confident | 68.9 | Low | 49 Ų | 49 | 53.7 Ų | 53.7 | 25% | 0.251 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 127.1 | -169.6 | -63.9 | -178.8 | 0 | 0 | 0 | 110.4 | I742 E743 Q819 V839 | I742-I817 WeakPolarHBondContact CA-O 3.37Å; E743-I817 HydrophobicContact CB-CB 4.09Å; E743-I817 PolarHBondContact N-O 3.02Å; I817-Q819 HydrophobicContact CG2-CG 4Å; I817-V839 HydrophobicContact CB-CG1 4.43Å; I817-V839 HydrophobicContact CG2-CB 4.4Å; I817-V839 HydrophobicContact CG2-CG1 2.98Å |
| 818 | L | 79.4 | Confident | 69.1 | Low | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 123.3 | 165.2 | 179.3 | 66.6 | 0 | 0 | 0 | 109.3 | I698 I724 A740 I742 V758 F775 V820 V839 R840 I842 | I698-L818 HydrophobicContact CG2-CD2 4.26Å; I724-L818 HydrophobicContact CD1-CD2 3.81Å; I724-L818 HydrophobicContact CG2-CD2 4.48Å; A740-L818 HydrophobicContact CB-CD1 4.41Å; I742-L818 HydrophobicContact CG1-CD1 3.91Å; V758-L818 HydrophobicContact CG2-CD1 4.46Å; F775-L818 HydrophobicContact CE2-CD1 4.34Å; F775-L818 HydrophobicContact CE2-CD2 3.85Å; F775-L818 HydrophobicContact CZ-CD2 3.8Å; L818-V820 HydrophobicContact CG-CG2 4.32Å; L818-V839 CarbonylContact O-C 3.51Å; L818-V839 VanDerWaalsContact O-CA 3.3Å; L818-V839 WeakPolarHBondContact O-CA 3.39Å; L818-R840 HydrophobicContact CB-CB 4.48Å; L818-R840 PolarHBondContact N-O 3.01Å; L818-R840 PolarHBondContact O-N 3.35Å; L818-I842 HydrophobicContact CB-CD1 3.93Å; L818-I842 HydrophobicContact CB-CG1 4.32Å |
| 819 | Q | 78 | Confident | 68.9 | Low | 28 Ų | 28 | 59.1 Ų | 59.1 | 13% | 0.131 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 133.8 | 176.2 | -62 | -178 | -18 | 0 | 0 | 109.4 | A740 T741 I817 R837 A838 V839 | A740-Q819 CarbonylContact C-O 3.14Å; A740-Q819 WeakPolarHBondContact CA-O 3.48Å; T741-Q819 PolarHBondContact N-O 2.77Å; T741-Q819 WeakPolarHBondContact O-CA 3.35Å; T741-Q819 PolarHBondContact O-N 3.49Å; I817-Q819 HydrophobicContact CG2-CG 4Å; Q819-R837 HydrophobicContact CB-CG 4.42Å; Q819-A838 CarbonylContact C-O 3.57Å; Q819-A838 WeakPolarHBondContact CA-O 3.47Å; Q819-V839 HydrophobicContact CG-CG1 4.46Å; Q819-V839 HydrophobicContact CG-CG2 4.21Å |
| 820 | V | 80.3 | Confident | 68.3 | Low | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 107.7 | 179.3 | -176.9 | 0 | 0 | 0 | 0 | 108.2 | L696 I698 L726 I738 Q739 A740 L818 R837 A838 | L696-V820 HydrophobicContact CD2-CB 4.4Å; L696-V820 HydrophobicContact CD2-CG1 3.75Å; I698-V820 HydrophobicContact CD1-CB 4.33Å; I698-V820 HydrophobicContact CD1-CG2 3.76Å; L726-V820 HydrophobicContact CD1-CG1 4Å; L726-V820 HydrophobicContact CD2-CG2 4.17Å; I738-V820 HydrophobicContact CG2-CG1 3.47Å; I738-V820 VanDerWaalsContact CG2-CG1 3.47Å; Q739-V820 CarbonylContact O-C 3.59Å; Q739-V820 VanDerWaalsContact O-CA 3.32Å; Q739-V820 WeakPolarHBondContact O-CA 3.5Å; A740-V820 HydrophobicContact CB-CG2 4.17Å; L818-V820 HydrophobicContact CG-CG2 4.32Å; V820-R837 CarbonylContact O-C 3.5Å; V820-R837 VanDerWaalsContact O-CA 3.27Å; V820-R837 WeakPolarHBondContact O-CA 3.18Å; V820-A838 PolarHBondContact N-O 3Å; V820-A838 PolarHBondContact O-N 3.3Å |
| 821 | E | 78.3 | Confident | 67.5 | Low | 30 Ų | 30 | 63 Ų | 63 | 14% | 0.14 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 143.1 | 173.2 | -64.6 | -169.2 | 167 | 0 | 0 | 110.9 | I738 Q739 R835 R836 R837 | I738-E821 CarbonylContact C-O 3.6Å; I738-E821 VanDerWaalsContact CA-O 3.25Å; I738-E821 WeakPolarHBondContact CA-O 3.39Å; Q739-E821 PolarHBondContact N-O 2.9Å; Q739-E821 PolarHBondContact O-N 3.32Å; E821-R835 IonicContact OE2-CZ 3.19Å; E821-R835 IonicContact OE2-NE 2.8Å; E821-R835 IonicContact OE2-NH1 2.7Å; E821-R835 PolarHBondContact OE2-NH1 3.07Å; E821-R836 CarbonylContact C-O 3.5Å; E821-R836 VanDerWaalsContact CA-O 3.25Å; E821-R836 WeakPolarHBondContact CA-O 3.45Å; E821-R837 HydrophobicContact CG-CB 4.28Å; E821-R837 HydrophobicContact CG-CG 3.92Å; E821-R837 IonicContact OE1-CZ 2.6Å; E821-R837 IonicContact OE1-NE 3.54Å; E821-R837 PolarHBondContact OE1-NE 3.42Å; E821-R837 IonicContact OE1-NH2 3.99Å; E821-R837 PolarHBondContact OE1-NH2 3.11Å |
| 822 | Y | 77.1 | Confident | 66.2 | Low | 3 Ų | 3 | 64.6 Ų | 64.6 | 1% | 0.012 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 154.7 | -178.5 | 64.4 | -87.2 | 0 | 0 | 0 | 112 | F695 L696 I735 K736 V824 R835 R836 A838 | F695-Y822 HydrophobicContact CB-CE2 4.46Å; F695-Y822 PolarHBondContact N-OH 3.49Å; L696-Y822 HydrophobicContact CB-CD1 4.22Å; L696-Y822 HydrophobicContact CB-CE1 3.67Å; L696-Y822 HydrophobicContact CB-CE2 4.17Å; L696-Y822 HydrophobicContact CD2-CD1 3.68Å; L696-Y822 HydrophobicContact CD2-CE1 3.92Å; L696-Y822 HydrophobicContact CD2-CG 4.22Å; L696-Y822 HydrophobicContact CG-CE1 4.45Å; L696-Y822 PolarHBondContact N-OH 3.49Å; I735-Y822 HydrophobicContact CB-CD2 4.44Å; I735-Y822 HydrophobicContact CD1-CD2 4.09Å; I735-Y822 HydrophobicContact CD1-CE2 4.1Å; I735-Y822 HydrophobicContact CG1-CD2 4.18Å; I735-Y822 HydrophobicContact CG1-CE2 4.45Å; I735-Y822 VanDerWaalsContact CG2-CB 3.49Å; I735-Y822 HydrophobicContact CG2-CD2 3.49Å; I735-Y822 VanDerWaalsContact CG2-CD2 3.49Å; I735-Y822 HydrophobicContact CG2-CE2 4.49Å; I735-Y822 HydrophobicContact CG2-CG 3.81Å; K736-Y822 CarbonylContact O-C 3.58Å; K736-Y822 WeakPolarHBondContact O-CA 3.24Å; Y822-V824 HydrophobicContact CD2-CG2 3.53Å; Y822-V824 HydrophobicContact CE2-CG2 3.45Å; Y822-V824 VanDerWaalsContact CE2-CG2 3.45Å; Y822-R835 CarbonylContact O-C 3.45Å; Y822-R835 WeakPolarHBondContact O-CA 3.32Å; Y822-R836 HydrophobicContact CD1-CB 4.21Å; Y822-R836 HydrophobicContact CD2-CB 3.92Å; Y822-R836 HydrophobicContact CE1-CB 3.85Å; Y822-R836 HydrophobicContact CE2-CB 3.57Å; Y822-R836 HydrophobicContact CE2-CG 4.08Å; Y822-R836 HydrophobicContact CG-CB 4.25Å; Y822-R836 PolarHBondContact N-O 3.31Å; Y822-R836 WeakPolarHBondContact O-CA 3.39Å; Y822-R836 WeakPolarHBondContact O-CB 3.44Å; Y822-R836 PolarHBondContact O-N 3.08Å; Y822-A838 HydrophobicContact CE1-CB 3.83Å |
| 823 | T | 74.3 | Confident | 65.6 | Low | 15 Ų | 15 | 67.8 Ų | 67.8 | 9% | 0.092 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 137.6 | 179.9 | 42.1 | 0 | 0 | 0 | 0 | 112 | I735 K736 D737 S834 R835 | I735-T823 WeakPolarHBondContact CA-O 3.35Å; K736-T823 VanDerWaalsContact CB-OG1 3.28Å; K736-T823 WeakPolarHBondContact CB-OG1 3.47Å; K736-T823 PolarHBondContact N-O 2.75Å; K736-T823 PolarHBondContact O-N 2.75Å; K736-T823 PolarHBondContact O-OG1 3.43Å; K736-T823 VanDerWaalsContact O-OG1 3.06Å; D737-T823 HydrophobicContact CB-CG2 4.49Å; D737-T823 WeakPolarHBondContact CB-OG1 3.01Å; D737-T823 PolarHBondContact OD2-OG1 2.88Å; T823-S834 WeakPolarHBondContact CA-O 3.49Å; T823-R835 HydrophobicContact CG2-CB 4.09Å; T823-R835 HydrophobicContact CG2-CG 4.23Å |
| 824 | V | 70.2 | Confident | 64.6 | Low | 5 Ų | 5 | 65.6 Ų | 65.6 | 3% | 0.03 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 144.6 | -180 | -168.6 | 0 | 0 | 0 | 0 | 111 | F695 E733 I735 Y822 W833 S834 R836 | F695-V824 HydrophobicContact CD2-CG1 4.34Å; E733-V824 HydrophobicContact CB-CG1 4.05Å; I735-V824 HydrophobicContact CG1-CG2 4.15Å; Y822-V824 HydrophobicContact CD2-CG2 3.53Å; Y822-V824 HydrophobicContact CE2-CG2 3.45Å; Y822-V824 VanDerWaalsContact CE2-CG2 3.45Å; V824-W833 WeakPolarHBondContact O-CA 3.24Å; V824-S834 PolarHBondContact N-O 3.26Å; V824-S834 PolarHBondContact O-N 3.19Å; V824-R836 HydrophobicContact CG2-CG 4.23Å |
| 825 | S | 64.3 | Low | 64.3 | Low | 31 Ų | 31 | 68.3 Ų | 68.3 | 22% | 0.217 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 129.4 | 170.4 | 39.2 | 0 | 0 | 0 | 0 | 112.2 | E733 | E733-S825 PolarHBondContact OE2-OG 3.4Å |
| 826 | S | 50.4 | Low | 63.9 | Low | 49 Ų | 49 | 66.5 Ų | 66.5 | 34% | 0.343 | 31% | 0.312 | S | S | . | . | trans | -86.1 | 127.7 | 172.1 | -178.2 | 0 | 0 | 0 | 0 | 111 | L828 K832 | S826-L828 VanDerWaalsContact C-N 3.29Å; S826-L828 PolarHBondContact O-N 3.19Å; S826-L828 PolarHBondContact OG-N 3.19Å; S826-K832 PolarHBondContact N-O 3.29Å | ||
| 827 | K | 50.3 | Low | 63.8 | Low | 158 Ų | 158 | 68.4 Ų | 68.4 | 69% | 0.687 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -27 | 173.7 | -98.8 | 177.9 | 178.9 | 162.2 | 0 | 113.8 | E733 E829 | E733-K827 WeakPolarHBondContact OE1-CE 3.46Å; E733-K827 IonicContact OE1-NZ 3.61Å; K827-E829 VanDerWaalsContact C-N 3.26Å; K827-E829 PolarHBondContact O-N 3.31Å |
| 828 | L | 49.5 | Very low | 63.5 | Low | 165 Ų | 165 | 66.7 Ų | 66.7 | 86% | 0.864 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -23.1 | -170 | -146.9 | 74.4 | 0 | 0 | 0 | 112.4 | S826 | S826-L828 VanDerWaalsContact C-N 3.29Å; S826-L828 PolarHBondContact O-N 3.19Å; S826-L828 PolarHBondContact OG-N 3.19Å |
| 829 | E | 42.5 | Very low | 63.2 | Low | 104 Ų | 104 | 68.7 Ų | 68.7 | 49% | 0.486 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -142.8 | 107.8 | 175.3 | -68.3 | -175 | 167.1 | 0 | 0 | 109.4 | K827 H831 K832 | K827-E829 VanDerWaalsContact C-N 3.26Å; K827-E829 PolarHBondContact O-N 3.31Å; E829-H831 PolarHBondContact O-N 3.2Å; E829-K832 PolarHBondContact O-N 2.85Å; E829-K832 WeakPolarHBondContact OE2-CD 3.11Å; E829-K832 WeakPolarHBondContact OE2-CE 3.19Å; E829-K832 IonicContact OE2-NZ 3.49Å; E829-K832 PolarHBondContact OE2-NZ 2.91Å |
| 830 | K | 43 | Very low | 63.2 | Low | 192 Ų | 192 | 69.3 Ų | 69.3 | 84% | 0.835 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.2 | 117.6 | 172.7 | -70.7 | 179.6 | 177.5 | 178.8 | 0 | 108.1 | ||
| 831 | H | 47.6 | Very low | 63.1 | Low | 178 Ų | 178 | 72 Ų | 72 | 82% | 0.824 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97 | 10.5 | 177.6 | -49.2 | -64.3 | 0 | 0 | 0 | 119.4 | E829 | E829-H831 PolarHBondContact O-N 3.2Š|
| 832 | K | 45.9 | Very low | 63.2 | Low | 98 Ų | 98 | 70.6 Ų | 70.6 | 43% | 0.426 | 34% | 0.336 | S | S | . | . | trans | -101.8 | 117.9 | 165 | -86.9 | -178 | -174.4 | 155.5 | 0 | 112.8 | S826 E829 | S826-K832 PolarHBondContact N-O 3.29Å; E829-K832 PolarHBondContact O-N 2.85Å; E829-K832 WeakPolarHBondContact OE2-CD 3.11Å; E829-K832 WeakPolarHBondContact OE2-CE 3.19Å; E829-K832 IonicContact OE2-NZ 3.49Å; E829-K832 PolarHBondContact OE2-NZ 2.91Å | ||
| 833 | W | 60.3 | Low | 63.5 | Low | 106 Ų | 106 | 72.7 Ų | 72.7 | 40% | 0.402 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 133.8 | 165.6 | -64.3 | 81 | 0 | 0 | 0 | 108.4 | K736 V824 | K736-W833 HydrophobicContact CB-CZ3 4.3Å; K736-W833 HydrophobicContact CD-CE3 4.36Å; K736-W833 HydrophobicContact CD-CH2 3.62Å; K736-W833 HydrophobicContact CD-CZ2 4.4Å; K736-W833 HydrophobicContact CD-CZ3 3.58Å; K736-W833 VanDerWaalsContact CE-CH2 3.49Å; K736-W833 HydrophobicContact CG-CH2 4.3Å; K736-W833 HydrophobicContact CG-CZ3 3.92Å; V824-W833 WeakPolarHBondContact O-CA 3.24Å |
| 834 | S | 57.6 | Low | 64 | Low | 30 Ų | 30 | 72 Ų | 72 | 21% | 0.21 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 127.4 | 175.7 | -56.2 | 0 | 0 | 0 | 0 | 109.3 | T823 V824 | T823-S834 WeakPolarHBondContact CA-O 3.49Å; V824-S834 PolarHBondContact N-O 3.26Å; V824-S834 PolarHBondContact O-N 3.19Å |
| 835 | R | 68 | Low | 64.6 | Low | 105 Ų | 105 | 73 Ų | 73 | 40% | 0.396 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 138.2 | 166.9 | -162.5 | 176.6 | -120.2 | -158.3 | -8.1 | 109 | E821 Y822 T823 | E821-R835 IonicContact OE2-CZ 3.19Å; E821-R835 IonicContact OE2-NE 2.8Å; E821-R835 IonicContact OE2-NH1 2.7Å; E821-R835 PolarHBondContact OE2-NH1 3.07Å; Y822-R835 CarbonylContact O-C 3.45Å; Y822-R835 WeakPolarHBondContact O-CA 3.32Å; T823-R835 HydrophobicContact CG2-CB 4.09Å; T823-R835 HydrophobicContact CG2-CG 4.23Å |
| 836 | R | 68.5 | Low | 65.6 | Low | 44 Ų | 44 | 71.6 Ų | 71.6 | 17% | 0.166 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 161.2 | -175.6 | -63.2 | -66.7 | -177.5 | 153.4 | -6.3 | 107.8 | I693 E821 Y822 V824 | I693-R836 PolarHBondContact O-NH1 3.34Å; E821-R836 CarbonylContact C-O 3.5Å; E821-R836 VanDerWaalsContact CA-O 3.25Å; E821-R836 WeakPolarHBondContact CA-O 3.45Å; Y822-R836 HydrophobicContact CD1-CB 4.21Å; Y822-R836 HydrophobicContact CD2-CB 3.92Å; Y822-R836 HydrophobicContact CE1-CB 3.85Å; Y822-R836 HydrophobicContact CE2-CB 3.57Å; Y822-R836 HydrophobicContact CE2-CG 4.08Å; Y822-R836 HydrophobicContact CG-CB 4.25Å; Y822-R836 PolarHBondContact N-O 3.31Å; Y822-R836 WeakPolarHBondContact O-CA 3.39Å; Y822-R836 WeakPolarHBondContact O-CB 3.44Å; Y822-R836 PolarHBondContact O-N 3.08Å; V824-R836 HydrophobicContact CG2-CG 4.23Å |
| 837 | R | 74.2 | Confident | 67.4 | Low | 46 Ų | 46 | 74.9 Ų | 74.9 | 17% | 0.174 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 135.6 | 177.2 | -168.1 | -174.8 | -70.9 | 152.6 | -0.1 | 108.8 | S561 D562 Q819 V820 E821 V839 | S561-R837 WeakPolarHBondContact O-CD 3.4Å; S561-R837 PolarHBondContact O-NH1 3.17Å; D562-R837 WeakPolarHBondContact O-CB 3.29Å; Q819-R837 HydrophobicContact CB-CG 4.42Å; V820-R837 CarbonylContact O-C 3.5Å; V820-R837 VanDerWaalsContact O-CA 3.27Å; V820-R837 WeakPolarHBondContact O-CA 3.18Å; E821-R837 HydrophobicContact CG-CB 4.28Å; E821-R837 HydrophobicContact CG-CG 3.92Å; E821-R837 IonicContact OE1-CZ 2.6Å; E821-R837 IonicContact OE1-NE 3.54Å; E821-R837 PolarHBondContact OE1-NE 3.42Å; E821-R837 IonicContact OE1-NH2 3.99Å; E821-R837 PolarHBondContact OE1-NH2 3.11Å; R837-V839 HydrophobicContact CG-CG2 4.31Å |
| 838 | A | 73.2 | Confident | 69 | Low | 14 Ų | 14 | 68.3 Ų | 68.3 | 12% | 0.116 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 146.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | L696 I698 Q819 V820 Y822 | L696-A838 HydrophobicContact CB-CB 4.33Å; L696-A838 HydrophobicContact CD2-CB 4.32Å; I698-A838 HydrophobicContact CD1-CB 4.06Å; Q819-A838 CarbonylContact C-O 3.57Å; Q819-A838 WeakPolarHBondContact CA-O 3.47Å; V820-A838 PolarHBondContact N-O 3Å; V820-A838 PolarHBondContact O-N 3.3Å; Y822-A838 HydrophobicContact CE1-CB 3.83Å |
| 839 | V | 74.8 | Confident | 70.7 | Confident | 42 Ų | 42 | 60.5 Ų | 60.5 | 26% | 0.255 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 137.8 | -167.6 | -176.7 | 0 | 0 | 0 | 0 | 110.6 | D562 I817 L818 Q819 R837 | D562-V839 WeakPolarHBondContact OD1-CG2 3.47Å; I817-V839 HydrophobicContact CB-CG1 4.43Å; I817-V839 HydrophobicContact CG2-CB 4.4Å; I817-V839 HydrophobicContact CG2-CG1 2.98Å; L818-V839 CarbonylContact O-C 3.51Å; L818-V839 VanDerWaalsContact O-CA 3.3Å; L818-V839 WeakPolarHBondContact O-CA 3.39Å; Q819-V839 HydrophobicContact CG-CG1 4.46Å; Q819-V839 HydrophobicContact CG-CG2 4.21Å; R837-V839 HydrophobicContact CG-CG2 4.31Å |
| 840 | R | 78 | Confident | 72.8 | Confident | 40 Ų | 40 | 55.8 Ų | 55.8 | 15% | 0.151 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 125.4 | 175.9 | -147.8 | 67.4 | 171 | -142.2 | -3.7 | 112.1 | D697 I698 S706 I710 L818 | D697-R840 IonicContact OD1-NH1 3.77Å; D697-R840 PolarHBondContact OD1-NH1 3.02Å; I698-R840 HydrophobicContact CB-CB 4.37Å; I698-R840 HydrophobicContact CB-CG 4.37Å; I698-R840 HydrophobicContact CD1-CB 4.14Å; I698-R840 HydrophobicContact CG2-CB 4.16Å; I698-R840 HydrophobicContact CG2-CG 4.27Å; I698-R840 PolarHBondContact O-NH1 2.9Å; I698-R840 PolarHBondContact O-NH2 2.69Å; S706-R840 PolarHBondContact O-NH2 3.17Å; S706-R840 VanDerWaalsContact O-NH2 3.13Å; I710-R840 HydrophobicContact CG1-CG 4.37Å; L818-R840 HydrophobicContact CB-CB 4.48Å; L818-R840 PolarHBondContact N-O 3.01Å; L818-R840 PolarHBondContact O-N 3.35Å |
| 841 | P | 77.4 | Confident | 74.7 | Confident | 57 Ų | 57 | 48 Ų | 48 | 37% | 0.37 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 141.2 | 176.9 | 24.8 | -29.1 | 0 | 0 | 0 | 111.8 | P709 I710 T816 | P709-P841 CarbonylContact C-O 3.59Å; P709-P841 VanDerWaalsContact CA-O 3.29Å; P709-P841 WeakPolarHBondContact CA-O 3.4Å; P709-P841 HydrophobicContact CB-CB 4.1Å; P709-P841 HydrophobicContact CB-CG 3.91Å; I710-P841 PolarHBondContact N-O 2.93Å; T816-P841 CarbonylContact O-C 3.48Å; T816-P841 WeakPolarHBondContact O-CA 3.44Å |
| 842 | I | 81 | Confident | 76.3 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 125.3 | 174.6 | -57.6 | 167.3 | 0 | 0 | 0 | 107.7 | I710 L756 L777 C815 T816 L818 L844 | I710-I842 HydrophobicContact CB-CB 4.45Å; I710-I842 HydrophobicContact CB-CG1 4.19Å; I710-I842 HydrophobicContact CB-CG2 4.4Å; I710-I842 HydrophobicContact CD1-CG1 4.17Å; I710-I842 HydrophobicContact CG1-CG1 4.42Å; L756-I842 HydrophobicContact CD2-CD1 4.37Å; L777-I842 HydrophobicContact CD2-CD1 3.74Å; L777-I842 HydrophobicContact CD2-CG1 4.47Å; L777-I842 HydrophobicContact CD2-CG2 4.47Å; C815-I842 CarbonylContact C-O 3.59Å; C815-I842 VanDerWaalsContact CA-O 3.27Å; C815-I842 WeakPolarHBondContact CA-O 3.09Å; T816-I842 HydrophobicContact CG2-CB 4.03Å; T816-I842 HydrophobicContact CG2-CD1 4.19Å; T816-I842 PolarHBondContact N-O 3.24Å; T816-I842 PolarHBondContact O-N 3.44Å; L818-I842 HydrophobicContact CB-CD1 3.93Å; L818-I842 HydrophobicContact CB-CG1 4.32Å; I842-L844 HydrophobicContact CG2-CD1 4.49Å; I842-L844 HydrophobicContact CG2-CD2 4.04Å; I842-L844 HydrophobicContact CG2-CG 3.89Å |
| 843 | E | 82.4 | Confident | 78 | Confident | 47 Ų | 47 | 39.1 Ų | 39.1 | 22% | 0.22 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 106 | 177.2 | -177.8 | 177.6 | -177.6 | 0 | 0 | 109.2 | P709 I710 R711 Q712 T813 H814 | P709-E843 HydrophobicContact CB-CB 4.44Å; I710-E843 PolarHBondContact O-N 2.78Å; R711-E843 WeakPolarHBondContact CA-O 3.48Å; R711-E843 HydrophobicContact CG-CB 3.99Å; R711-E843 HydrophobicContact CG-CG 4.41Å; R711-E843 IonicContact CZ-OE2 3.11Å; R711-E843 VanDerWaalsContact CZ-OE2 3.3Å; R711-E843 IonicContact NE-OE2 2.97Å; R711-E843 PolarHBondContact NE-OE2 3.15Å; R711-E843 IonicContact NH2-OE2 2.7Å; R711-E843 PolarHBondContact NH2-OE2 3.28Å; Q712-E843 PolarHBondContact N-O 2.8Å; Q712-E843 VanDerWaalsContact N-O 3.14Å; T813-E843 HydrophobicContact CG2-CG 3.59Å; H814-E843 CarbonylContact O-C 3.52Å; H814-E843 WeakPolarHBondContact O-CA 3.34Å |
| 844 | L | 85.3 | Confident | 78.9 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 124.5 | -179.2 | -64.9 | -179.4 | 0 | 0 | 0 | 110.6 | Q712 L714 I722 F747 V754 L756 V779 T813 H814 I842 | Q712-L844 HydrophobicContact CB-CD2 3.8Å; Q712-L844 WeakPolarHBondContact O-CA 3.42Å; L714-L844 HydrophobicContact CD1-CD2 4.14Å; I722-L844 HydrophobicContact CD1-CD2 4.48Å; F747-L844 HydrophobicContact CE1-CD1 4.1Å; F747-L844 HydrophobicContact CZ-CB 4.28Å; F747-L844 HydrophobicContact CZ-CD1 3.81Å; V754-L844 HydrophobicContact CG1-CD1 4.21Å; L756-L844 HydrophobicContact CD1-CD1 4.49Å; L756-L844 HydrophobicContact CD2-CD1 3.88Å; L756-L844 HydrophobicContact CG-CD1 4.35Å; V779-L844 HydrophobicContact CG1-CD1 3.67Å; V779-L844 HydrophobicContact CG2-CD1 4.38Å; T813-L844 CarbonylContact C-O 3.52Å; T813-L844 VanDerWaalsContact CA-O 3.32Å; T813-L844 WeakPolarHBondContact CA-O 3.23Å; H814-L844 PolarHBondContact N-O 3.15Å; H814-L844 PolarHBondContact O-N 2.87Å; I842-L844 HydrophobicContact CG2-CD1 4.49Å; I842-L844 HydrophobicContact CG2-CD2 4.04Å; I842-L844 HydrophobicContact CG2-CG 3.89Å |
| 845 | T | 83 | Confident | 80.2 | Confident | 26 Ų | 26 | 43.4 Ų | 43.4 | 16% | 0.16 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 114.3 | 173.2 | -59.1 | 0 | 0 | 0 | 0 | 110.2 | Q712 T713 L714 P811 T813 | Q712-T845 PolarHBondContact O-N 3.02Å; T713-T845 CarbonylContact C-O 3.45Å; T713-T845 VanDerWaalsContact CA-O 3.3Å; T713-T845 WeakPolarHBondContact CA-O 3.41Å; T713-T845 HydrophobicContact CG2-CG2 4.34Å; L714-T845 PolarHBondContact N-O 2.78Å; P811-T845 HydrophobicContact CB-CG2 3.84Å; T813-T845 PolarHBondContact OG1-OG1 2.86Å; T813-T845 VanDerWaalsContact OG1-OG1 3.08Å |
| 846 | I | 85.8 | Confident | 80.9 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 128.1 | 178.1 | -48.7 | -61.5 | 0 | 0 | 0 | 109.4 | L714 A716 C750 V754 P811 S812 | L714-I846 HydrophobicContact CB-CD1 4.11Å; L714-I846 HydrophobicContact CD1-CD1 4.23Å; L714-I846 CarbonylContact O-C 3.55Å; L714-I846 WeakPolarHBondContact O-CA 3.34Å; A716-I846 HydrophobicContact CB-CG2 4.4Å; C750-I846 HydrophobicContact CB-CG2 4.22Å; C750-I846 PolarHBondContact SG-O 3.08Å; C750-I846 VanDerWaalsContact SG-O 3.32Å; V754-I846 HydrophobicContact CG2-CD1 3.76Å; V754-I846 HydrophobicContact CG2-CG1 3.93Å; P811-I846 CarbonylContact C-O 3.52Å; P811-I846 WeakPolarHBondContact CA-O 3.08Å; S812-I846 PolarHBondContact N-O 3.33Å; S812-I846 PolarHBondContact O-N 2.85Å |
| 847 | R | 86.7 | Confident | 81.6 | Confident | 119 Ų | 119 | 39.2 Ų | 39.2 | 45% | 0.449 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 144 | 173.7 | -80.2 | -179.8 | 164.9 | 161.7 | -1.7 | 110.7 | T713 L714 Y715 A716 P811 | T713-R847 HydrophobicContact CG2-CG 4.4Å; L714-R847 PolarHBondContact O-N 3.4Å; Y715-R847 CarbonylContact C-O 3.47Å; Y715-R847 VanDerWaalsContact CA-O 3.29Å; Y715-R847 WeakPolarHBondContact CA-O 3.48Å; Y715-R847 HydrophobicContact CD1-CB 3.88Å; Y715-R847 HydrophobicContact CE1-CB 3.94Å; A716-R847 PolarHBondContact N-O 2.96Å; P811-R847 HydrophobicContact CB-CG 3.91Å |
| 848 | P | 84.4 | Confident | 81.9 | Confident | 20 Ų | 20 | 41.8 Ų | 41.8 | 13% | 0.13 | 20% | 0.203 | C | C | . | . | trans | -67.5 | 142.2 | 171.4 | 28.4 | -32.9 | 0 | 0 | 0 | 110.9 | Y715 I851 A875 | Y715-P848 WeakPolarHBondContact CD1-O 3.5Å; P848-I851 HydrophobicContact CB-CD1 3.64Å; P848-I851 HydrophobicContact CB-CG1 3.88Å; P848-I851 HydrophobicContact CG-CD1 4.28Å; P848-A875 HydrophobicContact CB-CB 4.09Å; P848-A875 HydrophobicContact CG-CB 4.12Å | ||
| 849 | A | 85.7 | Confident | 82 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.008 | 23% | 0.23 | C | C | . | . | trans | -108.2 | -84.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y715 A875 T876 W947 | Y715-A849 HydrophobicContact CD1-CB 3.85Å; Y715-A849 HydrophobicContact CG-CB 4.19Å; A849-A875 WeakPolarHBondContact O-CA 3.45Å; A849-A875 WeakPolarHBondContact O-CB 3.11Å; A849-A875 PolarHBondContact O-N 3.44Å; A849-T876 HydrophobicContact CB-CG2 3.82Å; A849-W947 HydrophobicContact CB-CD2 4.15Å; A849-W947 HydrophobicContact CB-CH2 4.01Å; A849-W947 HydrophobicContact CB-CZ2 3.56Å; A849-W947 HydrophobicContact CB-CZ3 4.45Å | ||
| 850 | V | 87 | Confident | 82 | Confident | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.024 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 121.3 | 173.5 | -179.5 | 0 | 0 | 0 | 0 | 108.8 | L872 Y873 V880 W947 V958 | V850-L872 HydrophobicContact CG1-CB 4.04Å; V850-Y873 CarbonylContact C-O 3.56Å; V850-Y873 WeakPolarHBondContact CA-O 3.32Å; V850-V880 HydrophobicContact CG2-CG1 3.88Å; V850-W947 HydrophobicContact CG2-CB 3.79Å; V850-W947 HydrophobicContact CG2-CG 3.94Å; V850-V958 HydrophobicContact CB-CG2 4.14Å; V850-V958 HydrophobicContact CG1-CG1 4.24Å; V850-V958 HydrophobicContact CG1-CG2 4.05Å |
| 851 | I | 81.6 | Confident | 82 | Confident | 28 Ų | 28 | 49.8 Ų | 49.8 | 14% | 0.144 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 132.8 | -174.1 | -47.9 | 177.1 | 0 | 0 | 0 | 110 | P848 Q853 Y873 A875 | P848-I851 HydrophobicContact CB-CD1 3.64Å; P848-I851 HydrophobicContact CB-CG1 3.88Å; P848-I851 HydrophobicContact CG-CD1 4.28Å; I851-Q853 PolarHBondContact O-N 2.98Å; I851-Y873 HydrophobicContact CD1-CD1 4.27Å; I851-Y873 PolarHBondContact N-O 3.18Å; I851-Y873 PolarHBondContact O-N 3.03Å; I851-A875 HydrophobicContact CD1-CB 3.68Å; I851-A875 HydrophobicContact CG1-CB 3.99Å |
| 852 | M | 82.5 | Confident | 81.7 | Confident | 7 Ų | 7 | 49.3 Ų | 49.3 | 3% | 0.034 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 109.7 | 167.2 | -172.4 | 173.2 | 59.5 | 0 | 0 | 110.4 | W855 M870 L872 R962 L963 | M852-W855 VanDerWaalsContact CE-CD1 3.4Å; M852-W855 HydrophobicContact CE-CG 4.2Å; M852-W855 HydrophobicContact CG-CB 4.49Å; M852-W855 HydrophobicContact SD-CB 3.94Å; M852-W855 VanDerWaalsContact SD-CD1 3.55Å; M852-W855 HydrophobicContact SD-CG 3.93Å; M852-M870 HydrophobicContact CG-CB 4.49Å; M852-M870 HydrophobicContact SD-CB 4.27Å; M852-M870 HydrophobicContact SD-CG 3.86Å; M852-M870 HydrophobicContact SD-SD 3.83Å; M852-L872 HydrophobicContact CB-CD2 4.1Å; M852-L872 HydrophobicContact CG-CD2 4.36Å; M852-R962 HydrophobicContact CE-CB 3.64Å; M852-L963 HydrophobicContact CE-CB 4.2Å |
| 853 | Q | 79.8 | Confident | 81.1 | Confident | 83 Ų | 83 | 54.5 Ų | 54.5 | 39% | 0.388 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | -50.8 | -178.4 | -73.2 | -172.7 | -15.8 | 0 | 0 | 112.4 | I851 D871 Y873 S897 | I851-Q853 PolarHBondContact O-N 2.98Å; Q853-D871 PolarHBondContact N-O 3.01Å; Q853-Y873 HydrophobicContact CG-CG 4.4Å; Q853-Y873 VanDerWaalsContact NE2-CG 3.3Å; Q853-S897 PolarHBondContact OE1-OG 3.16Å |
| 854 | R | 81 | Confident | 80.9 | Confident | 154 Ų | 154 | 55.5 Ų | 55.5 | 58% | 0.581 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 153.6 | 179.5 | -65.9 | -176.8 | -62.4 | -98 | -6.6 | 109.1 | D871 | R854-D871 HydrophobicContact CB-CB 4.22Å; R854-D871 IonicContact CZ-OD2 3.24Å; R854-D871 VanDerWaalsContact CZ-OD2 3.31Å; R854-D871 IonicContact NE-OD2 2.89Å; R854-D871 PolarHBondContact NE-OD2 3.46Å; R854-D871 IonicContact NH2-OD2 3.28Å; R854-D871 PolarHBondContact NH2-OD2 2.93Å; R854-D871 PolarHBondContact O-N 3.31Å |
| 855 | W | 83.6 | Confident | 80.9 | Confident | 73 Ų | 73 | 56.3 Ų | 56.3 | 28% | 0.277 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 156.6 | 172.4 | 53.6 | -93.7 | 0 | 0 | 0 | 109.6 | M852 I857 L868 A869 M870 L963 L969 | M852-W855 VanDerWaalsContact CE-CD1 3.4Å; M852-W855 HydrophobicContact CE-CG 4.2Å; M852-W855 HydrophobicContact CG-CB 4.49Å; M852-W855 HydrophobicContact SD-CB 3.94Å; M852-W855 VanDerWaalsContact SD-CD1 3.55Å; M852-W855 HydrophobicContact SD-CG 3.93Å; W855-I857 HydrophobicContact CE3-CG1 4.22Å; W855-I857 HydrophobicContact CZ3-CD1 4.1Å; W855-I857 HydrophobicContact CZ3-CG1 3.99Å; W855-L868 HydrophobicContact CB-CD1 4.34Å; W855-L868 HydrophobicContact CE3-CD1 4.29Å; W855-A869 CarbonylContact C-O 3.48Å; W855-A869 WeakPolarHBondContact CA-O 3.37Å; W855-M870 HydrophobicContact CB-CG 4.12Å; W855-L963 HydrophobicContact CD2-CD1 3.75Å; W855-L963 HydrophobicContact CE3-CD1 3.81Å; W855-L963 HydrophobicContact CG-CD1 4.14Å; W855-L963 HydrophobicContact CZ3-CD1 4.37Å; W855-L969 HydrophobicContact CH2-CD1 3.39Å; W855-L969 HydrophobicContact CH2-CD2 3.21Å; W855-L969 HydrophobicContact CH2-CG 3.84Å; W855-L969 HydrophobicContact CZ2-CD1 4.03Å; W855-L969 HydrophobicContact CZ2-CD2 4.46Å; W855-L969 HydrophobicContact CZ3-CD1 4.39Å; W855-L969 HydrophobicContact CZ3-CD2 3.33Å; W855-L969 HydrophobicContact CZ3-CG 4.41Å |
| 856 | A | 82.4 | Confident | 81 | Confident | 34 Ų | 34 | 57.4 Ų | 57.4 | 28% | 0.281 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 137.7 | 177 | 0 | 0 | 0 | 0 | 0 | 110.1 | A869 | A856-A869 PolarHBondContact N-O 3.43Å; A856-A869 PolarHBondContact O-N 3.46Å |
| 857 | I | 83.5 | Confident | 81 | Confident | 27 Ų | 27 | 60.2 Ų | 60.2 | 14% | 0.138 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 123.6 | 173.1 | -57.6 | 176.3 | 0 | 0 | 0 | 107.5 | W855 R866 L868 L969 E972 F973 | W855-I857 HydrophobicContact CE3-CG1 4.22Å; W855-I857 HydrophobicContact CZ3-CD1 4.1Å; W855-I857 HydrophobicContact CZ3-CG1 3.99Å; I857-R866 HydrophobicContact CG2-CB 3.95Å; I857-R866 HydrophobicContact CG2-CG 4.05Å; I857-L868 HydrophobicContact CG1-CD1 4.11Å; I857-L969 HydrophobicContact CD1-CD2 3.46Å; I857-L969 VanDerWaalsContact CD1-CD2 3.46Å; I857-L969 HydrophobicContact CG1-CD2 4.4Å; I857-E972 WeakPolarHBondContact CB-OE2 3.19Å; I857-E972 HydrophobicContact CD1-CB 4.13Å; I857-E972 HydrophobicContact CG2-CB 4.45Å; I857-F973 HydrophobicContact CD1-CD2 4.05Å; I857-F973 HydrophobicContact CD1-CE1 4.16Å; I857-F973 HydrophobicContact CD1-CE2 3.36Å; I857-F973 HydrophobicContact CD1-CZ 3.42Å; I857-F973 VanDerWaalsContact CD1-CZ 3.42Å; I857-F973 HydrophobicContact CG1-CE2 4.35Å; I857-F973 HydrophobicContact CG1-CZ 3.95Å |
| 858 | L | 80.3 | Confident | 81.1 | Confident | 99 Ų | 99 | 54.5 Ų | 54.5 | 52% | 0.518 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 155.7 | 179.6 | -57.5 | 173.2 | 0 | 0 | 0 | 109.1 | G860 R866 H867 | L858-G860 PolarHBondContact O-N 3.16Å; L858-R866 WeakPolarHBondContact O-CA 3.26Å; L858-R866 WeakPolarHBondContact O-CD 3.44Å; L858-H867 HydrophobicContact CB-CB 4.05Å; L858-H867 PolarHBondContact N-O 3.43Å; L858-H867 PolarHBondContact O-N 2.94Å |
| 859 | A | 75.3 | Confident | 81.1 | Confident | 84 Ų | 84 | 54 Ų | 54 | 69% | 0.694 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -55.4 | 134.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | H867 | A859-H867 PolarHBondContact O-ND1 2.97Å |
| 860 | G | 75.6 | Confident | 81.2 | Confident | 19 Ų | 19 | 54 Ų | 54 | 20% | 0.196 | 28% | 0.275 | C | S | . | . | trans | -78.9 | -176.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | L858 S862 T865 | L858-G860 PolarHBondContact O-N 3.16Å; G860-S862 PolarHBondContact O-N 3.07Å; G860-T865 VanDerWaalsContact CA-O 3.24Å; G860-T865 WeakPolarHBondContact CA-O 3.1Å; G860-T865 PolarHBondContact N-O 3.15Å; G860-T865 VanDerWaalsContact N-O 3.14Å | ||
| 861 | E | 78.5 | Confident | 81.3 | Confident | 161 Ų | 161 | 54.4 Ų | 54.4 | 75% | 0.752 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -66 | -17.1 | 172.9 | -59.1 | 177.4 | 169.5 | 0 | 0 | 112.8 | T865 | E861-T865 PolarHBondContact N-OG1 3.01Š|
| 862 | S | 71.3 | Confident | 81.7 | Confident | 48 Ų | 48 | 53 Ų | 53 | 34% | 0.336 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -143.7 | 167.5 | 174.7 | 72.9 | 0 | 0 | 0 | 0 | 110.2 | G860 L864 T865 | G860-S862 PolarHBondContact O-N 3.07Å; S862-L864 PolarHBondContact O-N 3.49Å; S862-L864 VanDerWaalsContact O-N 3.14Å; S862-L864 WeakPolarHBondContact OG-CB 3.46Å; S862-L864 PolarHBondContact OG-N 3.25Å; S862-T865 PolarHBondContact N-OG1 3.15Å; S862-T865 PolarHBondContact O-N 3.25Å; S862-T865 VanDerWaalsContact O-O 3.05Å; S862-T865 PolarHBondContact O-OG1 2.91Å; S862-T865 PolarHBondContact OG-N 2.85Å; S862-T865 PolarHBondContact OG-OG1 2.96Å |
| 863 | W | 67.5 | Low | 81.9 | Confident | 109 Ų | 109 | 55.2 Ų | 55.2 | 41% | 0.413 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -19.6 | 172.1 | 52.9 | -90.5 | 0 | 0 | 0 | 113.1 | R866 V975 L979 L1014 | W863-R866 PolarHBondContact O-NH1 3.4Å; W863-V975 HydrophobicContact CE3-CG1 4.06Å; W863-V975 HydrophobicContact CZ3-CG1 3.64Å; W863-L979 HydrophobicContact CD2-CD1 3.78Å; W863-L979 HydrophobicContact CE3-CD1 3.93Å; W863-L979 HydrophobicContact CG-CD1 4.06Å; W863-L979 HydrophobicContact CZ3-CD1 4.39Å; W863-L1014 HydrophobicContact CH2-CD1 4.16Å; W863-L1014 HydrophobicContact CH2-CD2 4.38Å; W863-L1014 HydrophobicContact CZ3-CD1 3.81Å |
| 864 | L | 77.8 | Confident | 82.3 | Confident | 69 Ų | 69 | 51.3 Ų | 51.3 | 36% | 0.361 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -7.4 | 176.2 | -67.2 | 170.5 | 0 | 0 | 0 | 114 | S862 C906 V975 | S862-L864 PolarHBondContact O-N 3.49Å; S862-L864 VanDerWaalsContact O-N 3.14Å; S862-L864 WeakPolarHBondContact OG-CB 3.46Å; S862-L864 PolarHBondContact OG-N 3.25Å; L864-C906 VanDerWaalsContact C-SG 3.52Å; L864-C906 WeakPolarHBondContact O-CB 3.49Å; L864-C906 PolarHBondContact O-N 2.64Å; L864-C906 PolarHBondContact O-SG 2.97Å; L864-C906 VanDerWaalsContact O-SG 3.38Å; L864-V975 HydrophobicContact CD2-CG1 4.37Å; L864-V975 HydrophobicContact CD2-CG2 3.83Å |
| 865 | T | 85.4 | Confident | 82.5 | Confident | 18 Ų | 18 | 45.1 Ų | 45.1 | 11% | 0.11 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 155.9 | -176 | 55.6 | 0 | 0 | 0 | 0 | 112.1 | G860 E861 S862 V904 K905 | G860-T865 VanDerWaalsContact CA-O 3.24Å; G860-T865 WeakPolarHBondContact CA-O 3.1Å; G860-T865 PolarHBondContact N-O 3.15Å; G860-T865 VanDerWaalsContact N-O 3.14Å; E861-T865 PolarHBondContact N-OG1 3.01Å; S862-T865 PolarHBondContact N-OG1 3.15Å; S862-T865 PolarHBondContact O-N 3.25Å; S862-T865 VanDerWaalsContact O-O 3.05Å; S862-T865 PolarHBondContact O-OG1 2.91Å; S862-T865 PolarHBondContact OG-N 2.85Å; S862-T865 PolarHBondContact OG-OG1 2.96Å; T865-V904 CarbonylContact C-O 3.55Å; T865-V904 WeakPolarHBondContact CA-O 3.25Å; T865-K905 HydrophobicContact CG2-CG 4.33Å |
| 866 | R | 86 | Confident | 82.5 | Confident | 49 Ų | 49 | 41.8 Ų | 41.8 | 19% | 0.185 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 144.3 | 173.2 | -66.3 | -64 | 179.6 | -83.7 | -6.4 | 110.1 | I857 L858 W863 V904 E972 | I857-R866 HydrophobicContact CG2-CB 3.95Å; I857-R866 HydrophobicContact CG2-CG 4.05Å; L858-R866 WeakPolarHBondContact O-CA 3.26Å; L858-R866 WeakPolarHBondContact O-CD 3.44Å; W863-R866 PolarHBondContact O-NH1 3.4Å; R866-V904 PolarHBondContact N-O 3.26Å; R866-V904 PolarHBondContact O-N 3.27Å; R866-E972 PolarHBondContact NE-O 2.88Å |
| 867 | H | 85.7 | Confident | 82.5 | Confident | 58 Ų | 58 | 46.8 Ų | 46.8 | 27% | 0.269 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 117 | 170.4 | -80.7 | 102 | 0 | 0 | 0 | 109.2 | L858 A859 | L858-H867 HydrophobicContact CB-CB 4.05Å; L858-H867 PolarHBondContact N-O 3.43Å; L858-H867 PolarHBondContact O-N 2.94Å; A859-H867 PolarHBondContact O-ND1 2.97Å |
| 868 | L | 87.9 | Confident | 82.6 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 108.2 | 174 | 177.3 | 61 | 0 | 0 | 0 | 109.4 | W855 I857 M870 P901 I902 V904 I943 L963 | W855-L868 HydrophobicContact CB-CD1 4.34Å; W855-L868 HydrophobicContact CE3-CD1 4.29Å; I857-L868 HydrophobicContact CG1-CD1 4.11Å; L868-M870 HydrophobicContact CD1-CG 4.25Å; L868-M870 HydrophobicContact CD2-CE 4.23Å; L868-M870 HydrophobicContact CD2-CG 4.15Å; L868-M870 HydrophobicContact CD2-SD 3.82Å; L868-M870 HydrophobicContact CG-CG 3.84Å; L868-M870 HydrophobicContact CG-SD 4.18Å; L868-P901 CarbonylContact O-C 3.49Å; L868-P901 WeakPolarHBondContact O-CA 3.29Å; L868-I902 PolarHBondContact N-O 2.88Å; L868-I902 PolarHBondContact O-N 3.08Å; L868-V904 HydrophobicContact CB-CG2 4.13Å; L868-I943 HydrophobicContact CD2-CD1 3.76Å; L868-L963 HydrophobicContact CD1-CD1 3.58Å; L868-L963 HydrophobicContact CD2-CD1 3.92Å; L868-L963 HydrophobicContact CD2-CD2 3.78Å; L868-L963 HydrophobicContact CG-CD1 4.4Å |
| 869 | A | 85.2 | Confident | 83 | Confident | 9 Ų | 9 | 44.5 Ų | 44.5 | 7% | 0.074 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 115.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | W855 A856 | W855-A869 CarbonylContact C-O 3.48Å; W855-A869 WeakPolarHBondContact CA-O 3.37Å; A856-A869 PolarHBondContact N-O 3.43Å; A856-A869 PolarHBondContact O-N 3.46Å |
| 870 | M | 87.9 | Confident | 83.7 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 130.5 | -176.6 | -61.8 | 178.6 | -74.6 | 0 | 0 | 112 | M852 W855 L868 L872 R899 V900 I902 I943 L945 L960 | M852-M870 HydrophobicContact CG-CB 4.49Å; M852-M870 HydrophobicContact SD-CB 4.27Å; M852-M870 HydrophobicContact SD-CG 3.86Å; M852-M870 HydrophobicContact SD-SD 3.83Å; W855-M870 HydrophobicContact CB-CG 4.12Å; L868-M870 HydrophobicContact CD1-CG 4.25Å; L868-M870 HydrophobicContact CD2-CE 4.23Å; L868-M870 HydrophobicContact CD2-CG 4.15Å; L868-M870 HydrophobicContact CD2-SD 3.82Å; L868-M870 HydrophobicContact CG-CG 3.84Å; L868-M870 HydrophobicContact CG-SD 4.18Å; M870-L872 HydrophobicContact CB-CD2 4.35Å; M870-L872 HydrophobicContact CB-CG 4.46Å; M870-R899 CarbonylContact O-C 3.55Å; M870-R899 VanDerWaalsContact O-CA 3.28Å; M870-R899 WeakPolarHBondContact O-CA 3.45Å; M870-V900 PolarHBondContact N-O 2.87Å; M870-V900 PolarHBondContact O-N 3.11Å; M870-I902 HydrophobicContact CE-CD1 3.26Å; M870-I902 HydrophobicContact CE-CG1 3.79Å; M870-I943 HydrophobicContact CE-CG2 4.47Å; M870-L945 HydrophobicContact CE-CD1 3.65Å; M870-L945 HydrophobicContact SD-CD1 4.44Å; M870-L960 HydrophobicContact SD-CD2 4.35Å |
| 871 | D | 87.9 | Confident | 84.4 | Confident | 13 Ų | 13 | 41.7 Ų | 41.7 | 7% | 0.07 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 107 | 172.3 | -62.1 | -4.3 | 0 | 0 | 0 | 108.6 | Q853 R854 R899 | Q853-D871 PolarHBondContact N-O 3.01Å; R854-D871 HydrophobicContact CB-CB 4.22Å; R854-D871 IonicContact CZ-OD2 3.24Å; R854-D871 VanDerWaalsContact CZ-OD2 3.31Å; R854-D871 IonicContact NE-OD2 2.89Å; R854-D871 PolarHBondContact NE-OD2 3.46Å; R854-D871 IonicContact NH2-OD2 3.28Å; R854-D871 PolarHBondContact NH2-OD2 2.93Å; R854-D871 PolarHBondContact O-N 3.31Å; D871-R899 WeakPolarHBondContact OD1-CB 3.4Å; D871-R899 WeakPolarHBondContact OD1-CG 3.41Å; D871-R899 IonicContact OD1-CZ 3.33Å; D871-R899 IonicContact OD1-NE 3.61Å; D871-R899 PolarHBondContact OD1-NE 3.42Å; D871-R899 IonicContact OD1-NH2 2.74Å |
| 872 | L | 89.8 | Confident | 84.9 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 124.3 | -176.6 | -60.3 | 177.8 | 0 | 0 | 0 | 110.7 | V850 M852 M870 L882 I892 S897 C898 V900 L945 V958 | V850-L872 HydrophobicContact CG1-CB 4.04Å; M852-L872 HydrophobicContact CB-CD2 4.1Å; M852-L872 HydrophobicContact CG-CD2 4.36Å; M870-L872 HydrophobicContact CB-CD2 4.35Å; M870-L872 HydrophobicContact CB-CG 4.46Å; L872-L882 HydrophobicContact CD1-CD1 4.11Å; L872-L882 HydrophobicContact CD1-CD2 3.48Å; L872-L882 VanDerWaalsContact CD1-CD2 3.48Å; L872-L882 HydrophobicContact CD1-CG 4.47Å; L872-I892 HydrophobicContact CB-CD1 4.43Å; L872-S897 CarbonylContact O-C 3.55Å; L872-S897 WeakPolarHBondContact O-CA 3.26Å; L872-C898 PolarHBondContact N-O 2.84Å; L872-C898 PolarHBondContact O-N 2.88Å; L872-V900 HydrophobicContact CD1-CG2 4.07Å; L872-L945 HydrophobicContact CD1-CD1 4.12Å; L872-V958 HydrophobicContact CD2-CG1 4.01Å |
| 873 | Y | 87.1 | Confident | 85.6 | Confident | 53 Ų | 53 | 33.6 Ų | 33.6 | 21% | 0.208 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 132 | -178.4 | 170.3 | -104.8 | 0 | 0 | 0 | 111.6 | V850 I851 Q853 A875 G895 D896 S897 | V850-Y873 CarbonylContact C-O 3.56Å; V850-Y873 WeakPolarHBondContact CA-O 3.32Å; I851-Y873 HydrophobicContact CD1-CD1 4.27Å; I851-Y873 PolarHBondContact N-O 3.18Å; I851-Y873 PolarHBondContact O-N 3.03Å; Q853-Y873 HydrophobicContact CG-CG 4.4Å; Q853-Y873 VanDerWaalsContact NE2-CG 3.3Å; Y873-A875 HydrophobicContact CD1-CB 3.95Å; Y873-A875 HydrophobicContact CE1-CB 3.65Å; Y873-A875 PolarHBondContact O-N 3.44Å; Y873-G895 VanDerWaalsContact CE2-O 3.23Å; Y873-G895 WeakPolarHBondContact CE2-O 3.44Å; Y873-D896 WeakPolarHBondContact CA-O 3.36Å; Y873-D896 WeakPolarHBondContact CD2-O 2.86Å; Y873-S897 WeakPolarHBondContact CD2-OG 3.38Å |
| 874 | N | 89.4 | Confident | 86.2 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 105.5 | 172.8 | 180 | 8.8 | 0 | 0 | 0 | 110.5 | T876 D878 V880 I892 L893 S894 G895 D896 | N874-T876 WeakPolarHBondContact OD1-CB 3.42Å; N874-T876 PolarHBondContact OD1-N 3.32Å; N874-T876 PolarHBondContact OD1-OG1 2.86Å; N874-D878 PolarHBondContact ND2-O 3.05Å; N874-V880 WeakPolarHBondContact ND2-CG2 3.46Å; N874-V880 WeakPolarHBondContact OD1-CG2 3.39Å; N874-I892 HydrophobicContact CB-CB 4.2Å; N874-I892 HydrophobicContact CB-CG2 3.6Å; N874-I892 PolarHBondContact ND2-O 3.28Å; N874-L893 WeakPolarHBondContact CB-O 3.23Å; N874-L893 PolarHBondContact ND2-O 3.07Å; N874-S894 PolarHBondContact ND2-N 2.97Å; N874-G895 WeakPolarHBondContact O-CA 3.28Å; N874-G895 PolarHBondContact O-N 3.05Å; N874-D896 PolarHBondContact N-O 2.79Å |
| 875 | A | 84.5 | Confident | 85.9 | Confident | 25 Ų | 25 | 30 Ų | 30 | 21% | 0.207 | 16% | 0.158 | C | C | . | . | trans | -90.3 | 0.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | P848 A849 I851 Y873 | P848-A875 HydrophobicContact CB-CB 4.09Å; P848-A875 HydrophobicContact CG-CB 4.12Å; A849-A875 WeakPolarHBondContact O-CA 3.45Å; A849-A875 WeakPolarHBondContact O-CB 3.11Å; A849-A875 PolarHBondContact O-N 3.44Å; I851-A875 HydrophobicContact CD1-CB 3.68Å; I851-A875 HydrophobicContact CG1-CB 3.99Å; Y873-A875 HydrophobicContact CD1-CB 3.95Å; Y873-A875 HydrophobicContact CE1-CB 3.65Å; Y873-A875 PolarHBondContact O-N 3.44Å | ||
| 876 | T | 83.9 | Confident | 85.1 | Confident | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.018 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -78.8 | 160.6 | 172.4 | 76.2 | 0 | 0 | 0 | 0 | 110.4 | Y715 A849 N874 D878 V880 S894 | Y715-T876 HydrophobicContact CD1-CG2 4.13Å; Y715-T876 HydrophobicContact CE1-CG2 3.79Å; A849-T876 HydrophobicContact CB-CG2 3.82Å; N874-T876 WeakPolarHBondContact OD1-CB 3.42Å; N874-T876 PolarHBondContact OD1-N 3.32Å; N874-T876 PolarHBondContact OD1-OG1 2.86Å; T876-D878 PolarHBondContact O-N 2.83Å; T876-D878 PolarHBondContact OG1-N 2.91Å; T876-D878 PolarHBondContact OG1-O 2.79Å; T876-V880 HydrophobicContact CG2-CG2 4.13Å; T876-V880 VanDerWaalsContact OG1-CG2 3.25Å; T876-V880 WeakPolarHBondContact OG1-CG2 3.41Å; T876-S894 PolarHBondContact O-OG 3.38Å; T876-S894 VanDerWaalsContact O-OG 3.09Å |
| 877 | N | 82.5 | Confident | 84.6 | Confident | 139 Ų | 139 | 40.6 Ų | 40.6 | 74% | 0.743 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -85.2 | 7.7 | 176.2 | -64.7 | -16.1 | 0 | 0 | 0 | 112.8 | ||
| 878 | D | 84.9 | Confident | 84.3 | Confident | 19 Ų | 19 | 43.2 Ų | 43.2 | 10% | 0.102 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -127.5 | 162 | -177.9 | -74.8 | -52.2 | 0 | 0 | 0 | 109.2 | N874 T876 N949 R951 Q952 | N874-D878 PolarHBondContact ND2-O 3.05Å; T876-D878 PolarHBondContact O-N 2.83Å; T876-D878 PolarHBondContact OG1-N 2.91Å; T876-D878 PolarHBondContact OG1-O 2.79Å; D878-N949 VanDerWaalsContact CB-ND2 3.34Å; D878-N949 WeakPolarHBondContact CB-ND2 3.5Å; D878-N949 PolarHBondContact OD2-ND2 2.87Å; D878-N949 VanDerWaalsContact OD2-ND2 3.12Å; D878-R951 WeakPolarHBondContact OD1-CD 3.24Å; D878-R951 IonicContact OD1-CZ 2.76Å; D878-R951 IonicContact OD1-NE 3.46Å; D878-R951 IonicContact OD1-NH1 3.91Å; D878-R951 PolarHBondContact OD1-NH1 2.99Å; D878-Q952 PolarHBondContact OD2-NE2 2.79Å |
| 879 | D | 88.5 | Confident | 84.1 | Confident | 58 Ų | 58 | 49.1 Ų | 49.1 | 31% | 0.31 | 26% | 0.262 | S | S | . | . | trans | -74.2 | 138.2 | 174.6 | -51.4 | -42.8 | 0 | 0 | 0 | 109.8 | L891 L893 S894 R951 | D879-L891 HydrophobicContact CB-CD1 4.05Å; D879-L893 WeakPolarHBondContact OD1-CA 3.11Å; D879-S894 PolarHBondContact OD1-N 3.32Å; D879-R951 IonicContact OD2-NH2 2.61Å | ||
| 880 | V | 89.8 | Confident | 84.2 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 128.3 | -172.6 | 172.4 | 0 | 0 | 0 | 0 | 109.7 | V850 N874 T876 I892 W947 | V850-V880 HydrophobicContact CG2-CG1 3.88Å; N874-V880 WeakPolarHBondContact ND2-CG2 3.46Å; N874-V880 WeakPolarHBondContact OD1-CG2 3.39Å; T876-V880 HydrophobicContact CG2-CG2 4.13Å; T876-V880 VanDerWaalsContact OG1-CG2 3.25Å; T876-V880 WeakPolarHBondContact OG1-CG2 3.41Å; V880-I892 PolarHBondContact N-O 3.43Å; V880-I892 PolarHBondContact O-N 3.06Å; V880-W947 HydrophobicContact CG1-CB 3.58Å; V880-W947 HydrophobicContact CG1-CE3 4.47Å; V880-W947 HydrophobicContact CG1-CG 4.45Å |
| 881 | D | 90.3 | Very high | 84.2 | Confident | 45 Ų | 45 | 55.8 Ų | 55.8 | 24% | 0.241 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 116.4 | 170.3 | -72.4 | -38.5 | 0 | 0 | 0 | 109.5 | H883 L891 W947 S948 | D881-H883 PolarHBondContact O-CD2 3Å; D881-H883 VanDerWaalsContact O-CD2 3.3Å; D881-L891 VanDerWaalsContact OD1-CD1 3.25Å; D881-L891 WeakPolarHBondContact OD1-CD1 3.14Å; D881-W947 CarbonylContact O-C 3.58Å; D881-W947 WeakPolarHBondContact O-CA 3.24Å; D881-S948 PolarHBondContact N-O 3.03Å; D881-S948 PolarHBondContact O-N 3.31Å |
| 882 | L | 89.9 | Confident | 84.3 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 117.9 | 171.8 | -178.2 | 76.5 | 0 | 0 | 0 | 110.1 | L872 I884 K889 I890 I892 V900 L945 Q946 V958 | L872-L882 HydrophobicContact CD1-CD1 4.11Å; L872-L882 HydrophobicContact CD1-CD2 3.48Å; L872-L882 VanDerWaalsContact CD1-CD2 3.48Å; L872-L882 HydrophobicContact CD1-CG 4.47Å; L882-I884 HydrophobicContact CD2-CD1 4.44Å; L882-I884 HydrophobicContact CD2-CG1 4.08Å; L882-I884 HydrophobicContact CG-CG1 4.34Å; L882-K889 CarbonylContact O-C 3.48Å; L882-K889 VanDerWaalsContact O-CA 3.26Å; L882-K889 WeakPolarHBondContact O-CA 3.44Å; L882-I890 WeakPolarHBondContact CB-O 3.38Å; L882-I890 PolarHBondContact N-O 3.22Å; L882-I890 PolarHBondContact O-N 2.84Å; L882-I892 HydrophobicContact CB-CD1 3.93Å; L882-I892 HydrophobicContact CB-CG1 4.31Å; L882-I892 HydrophobicContact CD2-CD1 4.03Å; L882-I892 HydrophobicContact CG-CD1 4.47Å; L882-V900 HydrophobicContact CD2-CG2 3.96Å; L882-L945 HydrophobicContact CD1-CB 4.5Å; L882-L945 HydrophobicContact CD1-CD2 4.49Å; L882-Q946 CarbonylContact C-O 3.42Å; L882-V958 HydrophobicContact CD1-CG2 3.66Å |
| 883 | H | 86.7 | Confident | 84.2 | Confident | 38 Ų | 38 | 59.2 Ų | 59.2 | 18% | 0.176 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 110.9 | 176.2 | -53 | -105.7 | 0 | 0 | 0 | 109 | D881 K889 Q946 S948 | D881-H883 PolarHBondContact O-CD2 3Å; D881-H883 VanDerWaalsContact O-CD2 3.3Å; H883-K889 VanDerWaalsContact CE1-CD 3.46Å; H883-K889 WeakPolarHBondContact CE1-CD 3.4Å; H883-K889 WeakPolarHBondContact CE1-CE 3.46Å; H883-K889 VanDerWaalsContact ND1-CD 3.34Å; H883-K889 WeakPolarHBondContact ND1-CD 3.43Å; H883-K889 WeakPolarHBondContact ND1-CE 3.45Å; H883-K889 WeakPolarHBondContact ND1-CG 3.43Å; H883-Q946 HydrophobicContact CB-CB 4.3Å; H883-Q946 PolarHBondContact N-O 3.27Å; H883-Q946 PolarHBondContact O-N 3.49Å; H883-Q946 VanDerWaalsContact O-N 3.13Å; H883-S948 PolarHBondContact NE2-OG 2.92Å |
| 884 | I | 79.2 | Confident | 84.2 | Confident | 26 Ų | 26 | 59.1 Ų | 59.1 | 13% | 0.133 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -90 | -41 | -179.9 | -60.5 | 168.2 | 0 | 0 | 0 | 110.9 | L882 K888 I890 V900 L945 | L882-I884 HydrophobicContact CD2-CD1 4.44Å; L882-I884 HydrophobicContact CD2-CG1 4.08Å; L882-I884 HydrophobicContact CG-CG1 4.34Å; I884-K888 HydrophobicContact CD1-CD 4.35Å; I884-K888 PolarHBondContact N-O 2.91Å; I884-I890 HydrophobicContact CD1-CD1 3.36Å; I884-I890 HydrophobicContact CD1-CG1 3.78Å; I884-V900 HydrophobicContact CD1-CG1 3.59Å; I884-V900 HydrophobicContact CD1-CG2 4.07Å; I884-V900 HydrophobicContact CG1-CG1 4.15Å; I884-V900 HydrophobicContact CG2-CG1 4.41Å; I884-L945 HydrophobicContact CB-CD2 4.26Å; I884-L945 HydrophobicContact CG1-CD2 3.93Å; I884-L945 HydrophobicContact CG2-CD2 4.27Å |
| 885 | T | 70.9 | Confident | 83.9 | Confident | 78 Ų | 78 | 60.9 Ų | 60.9 | 48% | 0.479 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -135.6 | 174.1 | 168.7 | 62.2 | 0 | 0 | 0 | 0 | 107.9 | E887 K888 | T885-E887 PolarHBondContact O-N 3.43Å; T885-E887 VanDerWaalsContact O-N 3.09Å; T885-K888 PolarHBondContact N-O 3.05Å; T885-K888 PolarHBondContact O-N 3.18Å; T885-K888 VanDerWaalsContact OG1-CB 3.25Å; T885-K888 WeakPolarHBondContact OG1-CB 3.25Å; T885-K888 PolarHBondContact OG1-N 3.45Å |
| 886 | A | 69.1 | Low | 84.1 | Confident | 101 Ų | 101 | 63.8 Ų | 63.8 | 84% | 0.835 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -54.7 | -29.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 887 | E | 75.1 | Confident | 84.2 | Confident | 187 Ų | 187 | 66.6 Ų | 66.6 | 87% | 0.874 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -99.5 | -31.2 | -176.6 | -62.8 | 174.3 | -173.7 | 0 | 0 | 113.1 | T885 | T885-E887 PolarHBondContact O-N 3.43Å; T885-E887 VanDerWaalsContact O-N 3.09Å |
| 888 | K | 79.6 | Confident | 84.4 | Confident | 113 Ų | 113 | 61.4 Ų | 61.4 | 49% | 0.491 | 34% | 0.344 | S | S | . | . | trans | -100.1 | 112 | -172.8 | -166.6 | 178.8 | -177.8 | -179.7 | 0 | 111.3 | I884 T885 | I884-K888 HydrophobicContact CD1-CD 4.35Å; I884-K888 PolarHBondContact N-O 2.91Å; T885-K888 PolarHBondContact N-O 3.05Å; T885-K888 PolarHBondContact O-N 3.18Å; T885-K888 VanDerWaalsContact OG1-CB 3.25Å; T885-K888 WeakPolarHBondContact OG1-CB 3.25Å; T885-K888 PolarHBondContact OG1-N 3.45Å | ||
| 889 | K | 83.6 | Confident | 84.3 | Confident | 125 Ų | 125 | 67.4 Ų | 67.4 | 54% | 0.543 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 142 | 175.1 | -55.7 | -178.9 | -173 | -174.8 | 0 | 110.5 | L882 H883 | L882-K889 CarbonylContact O-C 3.48Å; L882-K889 VanDerWaalsContact O-CA 3.26Å; L882-K889 WeakPolarHBondContact O-CA 3.44Å; H883-K889 VanDerWaalsContact CE1-CD 3.46Å; H883-K889 WeakPolarHBondContact CE1-CD 3.4Å; H883-K889 WeakPolarHBondContact CE1-CE 3.46Å; H883-K889 VanDerWaalsContact ND1-CD 3.34Å; H883-K889 WeakPolarHBondContact ND1-CD 3.43Å; H883-K889 WeakPolarHBondContact ND1-CE 3.45Å; H883-K889 WeakPolarHBondContact ND1-CG 3.43Å |
| 890 | I | 86.8 | Confident | 84.2 | Confident | 46 Ų | 46 | 64.8 Ų | 64.8 | 24% | 0.236 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 123.4 | 174.5 | -58.5 | -173.5 | 0 | 0 | 0 | 107.7 | L882 I884 I892 V900 | L882-I890 WeakPolarHBondContact CB-O 3.38Å; L882-I890 PolarHBondContact N-O 3.22Å; L882-I890 PolarHBondContact O-N 2.84Å; I884-I890 HydrophobicContact CD1-CD1 3.36Å; I884-I890 HydrophobicContact CD1-CG1 3.78Å; I890-I892 HydrophobicContact CG2-CG1 4.47Å; I890-V900 HydrophobicContact CD1-CG2 4.38Å |
| 891 | L | 89 | Confident | 83.9 | Confident | 102 Ų | 102 | 68.9 Ų | 68.9 | 53% | 0.534 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 126.3 | 171.1 | -178.7 | 69.3 | 0 | 0 | 0 | 109.3 | D879 D881 L893 | D879-L891 HydrophobicContact CB-CD1 4.05Å; D881-L891 VanDerWaalsContact OD1-CD1 3.25Å; D881-L891 WeakPolarHBondContact OD1-CD1 3.14Å; L891-L893 HydrophobicContact CD2-CD2 4.23Å; L891-L893 HydrophobicContact CG-CD2 4.49Å |
| 892 | I | 89 | Confident | 83.7 | Confident | 4 Ų | 4 | 68.1 Ų | 68.1 | 2% | 0.021 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 114.6 | 173 | -50.1 | 178 | 0 | 0 | 0 | 107.8 | L872 N874 V880 L882 I890 D896 C898 | L872-I892 HydrophobicContact CB-CD1 4.43Å; N874-I892 HydrophobicContact CB-CB 4.2Å; N874-I892 HydrophobicContact CB-CG2 3.6Å; N874-I892 PolarHBondContact ND2-O 3.28Å; V880-I892 PolarHBondContact N-O 3.43Å; V880-I892 PolarHBondContact O-N 3.06Å; L882-I892 HydrophobicContact CB-CD1 3.93Å; L882-I892 HydrophobicContact CB-CG1 4.31Å; L882-I892 HydrophobicContact CD2-CD1 4.03Å; L882-I892 HydrophobicContact CG-CD1 4.47Å; I890-I892 HydrophobicContact CG2-CG1 4.47Å; I892-D896 HydrophobicContact CG2-CB 4.37Å; I892-D896 WeakPolarHBondContact CG2-O 2.9Å; I892-C898 HydrophobicContact CD1-CB 4.04Å; I892-C898 HydrophobicContact CG1-CB 4.11Å |
| 893 | L | 88.7 | Confident | 83.6 | Confident | 81 Ų | 81 | 71.9 Ų | 71.9 | 42% | 0.424 | 39% | 0.394 | S | S | . | . | trans | -63.8 | 152.1 | 178.1 | -57.8 | 178 | 0 | 0 | 0 | 110.8 | N874 D879 L891 G895 D896 | N874-L893 WeakPolarHBondContact CB-O 3.23Å; N874-L893 PolarHBondContact ND2-O 3.07Å; D879-L893 WeakPolarHBondContact OD1-CA 3.11Å; L891-L893 HydrophobicContact CD2-CD2 4.23Å; L891-L893 HydrophobicContact CG-CD2 4.49Å; L893-G895 PolarHBondContact O-N 2.89Å; L893-G895 VanDerWaalsContact O-N 3.14Å; L893-D896 HydrophobicContact CB-CB 4.18Å; L893-D896 PolarHBondContact O-N 2.84Å | ||
| 894 | S | 86.1 | Confident | 83.6 | Confident | 52 Ų | 52 | 70.1 Ų | 70.1 | 36% | 0.364 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | 119.3 | 174 | 167.3 | 0 | 0 | 0 | 0 | 111 | N874 T876 D879 | N874-S894 PolarHBondContact ND2-N 2.97Å; T876-S894 PolarHBondContact O-OG 3.38Å; T876-S894 VanDerWaalsContact O-OG 3.09Å; D879-S894 PolarHBondContact OD1-N 3.32Å |
| 895 | G | 83.6 | Confident | 83.9 | Confident | 36 Ų | 36 | 75.2 Ų | 75.2 | 37% | 0.371 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.3 | 3.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y873 N874 L893 | Y873-G895 VanDerWaalsContact CE2-O 3.23Å; Y873-G895 WeakPolarHBondContact CE2-O 3.44Å; N874-G895 WeakPolarHBondContact O-CA 3.28Å; N874-G895 PolarHBondContact O-N 3.05Å; L893-G895 PolarHBondContact O-N 2.89Å; L893-G895 VanDerWaalsContact O-N 3.14Å |
| 896 | D | 88.4 | Confident | 84.6 | Confident | 86 Ų | 86 | 71.8 Ų | 71.8 | 46% | 0.46 | 39% | 0.386 | S | S | . | . | trans | -94.7 | 164.1 | 174.2 | -91.2 | -16.1 | 0 | 0 | 0 | 112.8 | Y873 N874 I892 L893 | Y873-D896 WeakPolarHBondContact CA-O 3.36Å; Y873-D896 WeakPolarHBondContact CD2-O 2.86Å; N874-D896 PolarHBondContact N-O 2.79Å; I892-D896 HydrophobicContact CG2-CB 4.37Å; I892-D896 WeakPolarHBondContact CG2-O 2.9Å; L893-D896 HydrophobicContact CB-CB 4.18Å; L893-D896 PolarHBondContact O-N 2.84Å | ||
| 897 | S | 86.2 | Confident | 85.1 | Confident | 63 Ų | 63 | 68.3 Ų | 68.3 | 44% | 0.441 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 142.2 | 175 | -53.6 | 0 | 0 | 0 | 0 | 112 | Q853 L872 Y873 | Q853-S897 PolarHBondContact OE1-OG 3.16Å; L872-S897 CarbonylContact O-C 3.55Å; L872-S897 WeakPolarHBondContact O-CA 3.26Å; Y873-S897 WeakPolarHBondContact CD2-OG 3.38Å |
| 898 | C | 86.8 | Confident | 85 | Confident | 29 Ų | 29 | 65.7 Ų | 65.7 | 20% | 0.196 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 134 | 176.6 | -178.9 | 0 | 0 | 0 | 0 | 110.6 | L872 I892 | L872-C898 PolarHBondContact N-O 2.84Å; L872-C898 PolarHBondContact O-N 2.88Å; I892-C898 HydrophobicContact CD1-CB 4.04Å; I892-C898 HydrophobicContact CG1-CB 4.11Å |
| 899 | R | 84.1 | Confident | 84.3 | Confident | 145 Ų | 145 | 63.4 Ų | 63.4 | 55% | 0.547 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 121.4 | 173.1 | 177.5 | 168.3 | -101.7 | -164.8 | -10.4 | 110.9 | M870 D871 | M870-R899 CarbonylContact O-C 3.55Å; M870-R899 VanDerWaalsContact O-CA 3.28Å; M870-R899 WeakPolarHBondContact O-CA 3.45Å; D871-R899 WeakPolarHBondContact OD1-CB 3.4Å; D871-R899 WeakPolarHBondContact OD1-CG 3.41Å; D871-R899 IonicContact OD1-CZ 3.33Å; D871-R899 IonicContact OD1-NE 3.61Å; D871-R899 PolarHBondContact OD1-NE 3.42Å; D871-R899 IonicContact OD1-NH2 2.74Å |
| 900 | V | 84.9 | Confident | 83.1 | Confident | 3 Ų | 3 | 59 Ų | 59 | 2% | 0.018 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 114.3 | -178.4 | -177.5 | 0 | 0 | 0 | 0 | 110.2 | M870 L872 L882 I884 I890 I902 | M870-V900 PolarHBondContact N-O 2.87Å; M870-V900 PolarHBondContact O-N 3.11Å; L872-V900 HydrophobicContact CD1-CG2 4.07Å; L882-V900 HydrophobicContact CD2-CG2 3.96Å; I884-V900 HydrophobicContact CD1-CG1 3.59Å; I884-V900 HydrophobicContact CD1-CG2 4.07Å; I884-V900 HydrophobicContact CG1-CG1 4.15Å; I884-V900 HydrophobicContact CG2-CG1 4.41Å; I890-V900 HydrophobicContact CD1-CG2 4.38Å; V900-I902 HydrophobicContact CG1-CD1 4.49Å; V900-I902 HydrophobicContact CG1-CG1 4.08Å |
| 901 | P | 84.4 | Confident | 81.2 | Confident | 87 Ų | 87 | 62.3 Ų | 62.3 | 57% | 0.565 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85 | 129.7 | 170.6 | 32 | -30.9 | 0 | 0 | 0 | 111.1 | L868 | L868-P901 CarbonylContact O-C 3.49Å; L868-P901 WeakPolarHBondContact O-CA 3.29Å |
| 902 | I | 86.1 | Confident | 79.3 | Confident | 28 Ų | 28 | 59.8 Ų | 59.8 | 14% | 0.144 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 127.5 | 175.1 | -55.3 | -171 | 0 | 0 | 0 | 109.2 | L868 M870 V900 V904 I943 L945 | L868-I902 PolarHBondContact N-O 2.88Å; L868-I902 PolarHBondContact O-N 3.08Å; M870-I902 HydrophobicContact CE-CD1 3.26Å; M870-I902 HydrophobicContact CE-CG1 3.79Å; V900-I902 HydrophobicContact CG1-CD1 4.49Å; V900-I902 HydrophobicContact CG1-CG1 4.08Å; I902-V904 HydrophobicContact CG2-CG2 4.11Å; I902-I943 HydrophobicContact CD1-CG2 3.99Å; I902-L945 HydrophobicContact CD1-CD1 4.2Å; I902-L945 HydrophobicContact CD1-CD2 4.22Å; I902-L945 HydrophobicContact CD1-CG 4.32Å |
| 903 | L | 86.5 | Confident | 77.2 | Confident | 80 Ų | 80 | 65.8 Ų | 65.8 | 42% | 0.419 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 120.4 | 172.5 | -176.5 | 68.8 | 0 | 0 | 0 | 109.3 | ||
| 904 | V | 87.6 | Confident | 74.9 | Confident | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.006 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 138.2 | -176.4 | -170.2 | 0 | 0 | 0 | 0 | 109.8 | T865 R866 L868 I902 I939 Q942 | T865-V904 CarbonylContact C-O 3.55Å; T865-V904 WeakPolarHBondContact CA-O 3.25Å; R866-V904 PolarHBondContact N-O 3.26Å; R866-V904 PolarHBondContact O-N 3.27Å; L868-V904 HydrophobicContact CB-CG2 4.13Å; I902-V904 HydrophobicContact CG2-CG2 4.11Å; V904-I939 HydrophobicContact CG1-CD1 3.63Å; V904-I939 HydrophobicContact CG1-CG2 4.28Å; V904-Q942 HydrophobicContact CG1-CB 4.49Å |
| 905 | K | 86.4 | Confident | 72.8 | Confident | 133 Ų | 133 | 68.2 Ų | 68.2 | 58% | 0.578 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 134 | 172 | -66.1 | -178.2 | 179.2 | 179.8 | 0 | 109.8 | T865 Y938 Q942 | T865-K905 HydrophobicContact CG2-CG 4.33Å; K905-Y938 WeakPolarHBondContact O-CE1 3.3Å; K905-Q942 PolarHBondContact O-NE2 3.17Å |
| 906 | C | 85.1 | Confident | 70.7 | Confident | 6 Ų | 6 | 75.9 Ų | 75.9 | 4% | 0.041 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 146.5 | 175.5 | -60.1 | 0 | 0 | 0 | 0 | 110.4 | L864 Y938 F973 V975 | L864-C906 VanDerWaalsContact C-SG 3.52Å; L864-C906 WeakPolarHBondContact O-CB 3.49Å; L864-C906 PolarHBondContact O-N 2.64Å; L864-C906 PolarHBondContact O-SG 2.97Å; L864-C906 VanDerWaalsContact O-SG 3.38Å; C906-Y938 PolarHBondContact O-OH 3.2Å; C906-F973 CarbonylContact C-O 3.56Å; C906-F973 WeakPolarHBondContact CA-O 3.36Å; C906-F973 WeakPolarHBondContact CB-O 3.33Å; C906-V975 HydrophobicContact CB-CG2 3.92Å |
| 907 | Y | 80.3 | Confident | 68.5 | Low | 28 Ų | 28 | 75.9 Ų | 75.9 | 11% | 0.11 | 40% | 0.397 | C | S | . | . | B | Isolated β-bridge | trans | -70.3 | 126 | 174.1 | -177.5 | -100.8 | 0 | 0 | 0 | 109.9 | L931 I935 Y938 F973 V975 | Y907-L931 HydrophobicContact CE1-CD1 3.94Å; Y907-I935 HydrophobicContact CD1-CD1 4.47Å; Y907-I935 HydrophobicContact CD1-CG1 3.63Å; Y907-I935 HydrophobicContact CE1-CG1 4.01Å; Y907-I935 HydrophobicContact CG-CG1 3.92Å; Y907-Y938 AromaticContact CD2-CD1 3.62Å; Y907-Y938 HydrophobicContact CD2-CD1 3.62Å; Y907-Y938 HydrophobicContact CD2-CD2 4.1Å; Y907-Y938 HydrophobicContact CD2-CE1 4.23Å; Y907-Y938 AromaticContact CD2-CG 3.53Å; Y907-Y938 HydrophobicContact CD2-CG 3.53Å; Y907-Y938 HydrophobicContact CE2-CG 4.24Å; Y907-Y938 HydrophobicContact CG-CD1 4.21Å; Y907-F973 PolarHBondContact N-O 3.35Å; Y907-V975 PolarHBondContact O-N 3.26Å |
| 908 | Q | 72.6 | Confident | 66.3 | Low | 132 Ų | 132 | 76.5 Ų | 76.5 | 62% | 0.617 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -93.9 | 126 | 176 | -163.9 | 170.6 | -0.4 | 0 | 0 | 108.2 | V975 | Q908-V975 HydrophobicContact CB-CG2 4.32Å; Q908-V975 HydrophobicContact CG-CG2 4.49Å |
| 909 | W | 64.3 | Low | 63.9 | Low | 65 Ų | 65 | 81.8 Ų | 81.8 | 25% | 0.246 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 139.9 | -178 | -78.9 | 71.8 | 0 | 0 | 0 | 111 | T911 L931 E1015 | W909-T911 PolarHBondContact O-N 3.33Å; W909-L931 HydrophobicContact CE3-CD2 4.33Å; W909-L931 HydrophobicContact CH2-CD2 3.37Å; W909-L931 HydrophobicContact CZ2-CD2 3.88Å; W909-L931 HydrophobicContact CZ3-CD2 3.63Å; W909-E1015 VanDerWaalsContact CB-OE1 3.22Å; W909-E1015 WeakPolarHBondContact CB-OE1 3.39Å |
| 910 | P | 57.8 | Low | 61.9 | Low | 33 Ų | 33 | 77.5 Ų | 77.5 | 21% | 0.214 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -57.8 | 132.8 | 175.9 | -21.9 | 31.2 | 0 | 0 | 0 | 111.5 | ||
| 911 | T | 48.3 | Very low | 59.8 | Low | 114 Ų | 114 | 82.9 Ų | 82.9 | 70% | 0.699 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -92.8 | 143.4 | 177 | 51.9 | 0 | 0 | 0 | 0 | 110.9 | W909 | W909-T911 PolarHBondContact O-N 3.33Š|
| 912 | G | 48.1 | Very low | 57.8 | Low | 49 Ų | 49 | 84.1 Ų | 84.1 | 51% | 0.505 | 44% | 0.44 | S | S | . | . | S | Bend | trans | 91.3 | -161.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | E914 C915 | G912-E914 PolarHBondContact O-N 3.39Å; G912-E914 VanDerWaalsContact O-N 3.08Å; G912-C915 PolarHBondContact O-N 2.92Å |
| 913 | D | 44.3 | Very low | 55.8 | Low | 131 Ų | 131 | 90.4 Ų | 90.4 | 70% | 0.701 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -15 | -172 | -85.5 | -29.7 | 0 | 0 | 0 | 114.1 | C915 R916 S917 | D913-C915 VanDerWaalsContact C-N 3.35Å; D913-C915 PolarHBondContact O-N 3.25Å; D913-R916 WeakPolarHBondContact O-CB 3.13Å; D913-R916 PolarHBondContact O-N 3.2Å; D913-S917 PolarHBondContact O-N 3.23Å |
| 914 | E | 41.7 | Very low | 53.6 | Low | 147 Ų | 147 | 90 Ų | 90 | 69% | 0.687 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -66.1 | -34.7 | 175.7 | -65.9 | -171 | 161.3 | 0 | 0 | 112.4 | G912 R916 S917 | G912-E914 PolarHBondContact O-N 3.39Å; G912-E914 VanDerWaalsContact O-N 3.08Å; E914-R916 PolarHBondContact O-N 2.99Å; E914-S917 PolarHBondContact O-N 3.08Å |
| 915 | C | 41.1 | Very low | 51.6 | Low | 37 Ų | 37 | 92.9 Ų | 92.9 | 25% | 0.25 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -64.1 | -25.4 | 175.8 | -166.4 | 0 | 0 | 0 | 0 | 112.2 | G912 D913 | G912-C915 PolarHBondContact O-N 2.92Å; D913-C915 VanDerWaalsContact C-N 3.35Å; D913-C915 PolarHBondContact O-N 3.25Å |
| 916 | R | 40.6 | Very low | 49.9 | Very low | 197 Ų | 197 | 90.6 Ų | 90.6 | 74% | 0.743 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -79.2 | -22.2 | 176.7 | -67.4 | -177.2 | 171.7 | -155.3 | -1.9 | 113.2 | D913 E914 | D913-R916 WeakPolarHBondContact O-CB 3.13Å; D913-R916 PolarHBondContact O-N 3.2Å; E914-R916 PolarHBondContact O-N 2.99Å |
| 917 | S | 42.2 | Very low | 48.1 | Very low | 86 Ų | 86 | 96 Ų | 96 | 60% | 0.601 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -78.1 | -35.6 | -179.6 | -162.7 | 0 | 0 | 0 | 0 | 112 | D913 E914 | D913-S917 PolarHBondContact O-N 3.23Å; E914-S917 PolarHBondContact O-N 3.08Å |
| 918 | E | 38.3 | Very low | 46.7 | Very low | 76 Ų | 76 | 102.7 Ų | 102.7 | 36% | 0.355 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -81.5 | -33.2 | -176.5 | -70.8 | -170.9 | 168.8 | 0 | 0 | 113.8 | A920 D930 | E918-A920 PolarHBondContact O-N 2.89Å; E918-D930 HydrophobicContact CG-CB 4.27Å |
| 919 | L | 37.9 | Very low | 46 | Very low | 140 Ų | 140 | 97.5 Ų | 97.5 | 73% | 0.733 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -5.4 | 176.9 | -77.9 | 159.7 | 0 | 0 | 0 | 113.9 | L921 | L919-L921 VanDerWaalsContact C-N 3.33Š|
| 920 | A | 41.3 | Very low | 46 | Very low | 54 Ų | 54 | 98.2 Ų | 98.2 | 45% | 0.446 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -5.3 | -179 | 0 | 0 | 0 | 0 | 0 | 113.9 | E918 | E918-A920 PolarHBondContact O-N 2.89Š|
| 921 | L | 40.7 | Very low | 46.4 | Very low | 116 Ų | 116 | 97.4 Ų | 97.4 | 61% | 0.607 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -93.4 | 108.4 | 177.7 | -81.8 | 145.9 | 0 | 0 | 0 | 110.5 | L919 | L919-L921 VanDerWaalsContact C-N 3.33Š|
| 922 | E | 42.7 | Very low | 47.5 | Very low | 113 Ų | 113 | 92.1 Ų | 92.1 | 53% | 0.528 | 48% | 0.476 | S | S | . | . | trans | -52.2 | 148.5 | -177.1 | -67.3 | 160.1 | 144.6 | 0 | 0 | 115.1 | T924 R1084 | E922-T924 VanDerWaalsContact C-N 3.27Å; E922-T924 PolarHBondContact O-N 3.38Å; E922-R1084 WeakPolarHBondContact OE1-CD 3.32Å; E922-R1084 WeakPolarHBondContact OE1-CG 3.11Å; E922-R1084 IonicContact OE1-NE 2.72Å; E922-R1084 PolarHBondContact OE1-NE 3.45Å | ||
| 923 | E | 43.8 | Very low | 48.5 | Very low | 161 Ų | 161 | 92.9 Ų | 92.9 | 75% | 0.752 | 47% | 0.467 | S | S | * | . | S | Bend | trans | 58.6 | 3 | 160.3 | -65.3 | -167.2 | 162.9 | 0 | 0 | 119.9 | P925 Q1143 | E923-P925 WeakPolarHBondContact O-CD 3.43Å; E923-Q1143 PolarHBondContact OE1-NE2 3.04Å |
| 924 | T | 40.4 | Very low | 49.8 | Very low | 70 Ų | 70 | 87.9 Ų | 87.9 | 43% | 0.429 | 44% | 0.444 | S | S | . | . | trans | -78.2 | 121.4 | 167.5 | 53.6 | 0 | 0 | 0 | 0 | 109.8 | E922 R928 | E922-T924 VanDerWaalsContact C-N 3.27Å; E922-T924 PolarHBondContact O-N 3.38Å; T924-R928 HydrophobicContact CG2-CB 4.29Å | ||
| 925 | P | 46.3 | Very low | 51.4 | Low | 63 Ų | 63 | 80.9 Ų | 80.9 | 41% | 0.409 | 41% | 0.411 | S | S | . | . | trans | -51 | 146.9 | 166.9 | 21.2 | -30.5 | 0 | 0 | 0 | 108.5 | E923 E927 R928 | E923-P925 WeakPolarHBondContact O-CD 3.43Å; P925-E927 HydrophobicContact CB-CB 4.49Å; P925-E927 HydrophobicContact CB-CG 4.37Å; P925-E927 PolarHBondContact O-N 3.41Å; P925-R928 HydrophobicContact CG-CB 4.47Å; P925-R928 HydrophobicContact CG-CG 4.38Å; P925-R928 WeakPolarHBondContact O-CA 3.38Å; P925-R928 PolarHBondContact O-N 3Å | ||
| 926 | F | 49.7 | Very low | 53.1 | Low | 84 Ų | 84 | 81.4 Ų | 81.4 | 37% | 0.368 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -43.9 | -36.6 | -179.3 | 176.3 | -98 | 0 | 0 | 0 | 112.3 | R928 S929 L931 C932 | F926-R928 PolarHBondContact O-N 3.07Å; F926-S929 WeakPolarHBondContact O-CB 3.3Å; F926-S929 PolarHBondContact O-N 3.19Å; F926-S929 PolarHBondContact O-OG 3.48Å; F926-L931 HydrophobicContact CE2-CD2 4.02Å; F926-C932 PolarHBondContact O-SG 3.24Å |
| 927 | E | 48.1 | Very low | 54.9 | Low | 120 Ų | 120 | 75.1 Ų | 75.1 | 56% | 0.561 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -51.2 | -18.6 | 172.6 | -42.6 | -175.1 | 155.2 | 0 | 0 | 115.6 | P925 P967 | P925-E927 HydrophobicContact CB-CB 4.49Å; P925-E927 HydrophobicContact CB-CG 4.37Å; P925-E927 PolarHBondContact O-N 3.41Å; E927-P967 HydrophobicContact CB-CB 3.9Å; E927-P967 HydrophobicContact CB-CG 4.17Å; E927-P967 VanDerWaalsContact CD-CG 3.44Å; E927-P967 HydrophobicContact CG-CB 3.58Å; E927-P967 HydrophobicContact CG-CG 3.57Å; E927-P967 WeakPolarHBondContact OE1-CG 3.41Å |
| 928 | R | 50.9 | Low | 56.7 | Low | 168 Ų | 168 | 74.9 Ų | 74.9 | 63% | 0.634 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -123 | 14 | -179 | -73 | -174.3 | 178.1 | 170.8 | -0.7 | 113.6 | T924 P925 F926 | T924-R928 HydrophobicContact CG2-CB 4.29Å; P925-R928 HydrophobicContact CG-CB 4.47Å; P925-R928 HydrophobicContact CG-CG 4.38Å; P925-R928 WeakPolarHBondContact O-CA 3.38Å; P925-R928 PolarHBondContact O-N 3Å; F926-R928 PolarHBondContact O-N 3.07Å |
| 929 | S | 57.7 | Low | 58.7 | Low | 24 Ų | 24 | 71.2 Ų | 71.2 | 17% | 0.168 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -76.4 | 150 | -179.7 | 64.2 | 0 | 0 | 0 | 0 | 112.5 | F926 L931 C932 Q933 | F926-S929 WeakPolarHBondContact O-CB 3.3Å; F926-S929 PolarHBondContact O-N 3.19Å; F926-S929 PolarHBondContact O-OG 3.48Å; S929-L931 PolarHBondContact O-N 3.32Å; S929-L931 VanDerWaalsContact O-N 3.12Å; S929-C932 PolarHBondContact O-N 3.48Å; S929-C932 PolarHBondContact OG-N 3.44Å; S929-Q933 PolarHBondContact O-N 2.84Å |
| 930 | D | 64.5 | Low | 60.7 | Low | 79 Ų | 79 | 66 Ų | 66 | 42% | 0.422 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -52.1 | -31.4 | 170 | -67 | -28.7 | 0 | 0 | 0 | 111.3 | E918 Q933 A934 | E918-D930 HydrophobicContact CG-CB 4.27Å; D930-Q933 CarbonylContact O-C 3.51Å; D930-Q933 WeakPolarHBondContact O-CB 2.92Å; D930-Q933 PolarHBondContact O-N 3.04Å; D930-A934 WeakPolarHBondContact O-CB 3.31Å; D930-A934 PolarHBondContact O-N 3.35Å |
| 931 | L | 66.4 | Low | 62.5 | Low | 16 Ų | 16 | 69.8 Ų | 69.8 | 8% | 0.084 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.2 | -46.1 | 174.8 | -176.2 | 70.7 | 0 | 0 | 0 | 113.3 | Y907 W909 F926 S929 Q933 A934 I935 | Y907-L931 HydrophobicContact CE1-CD1 3.94Å; W909-L931 HydrophobicContact CE3-CD2 4.33Å; W909-L931 HydrophobicContact CH2-CD2 3.37Å; W909-L931 HydrophobicContact CZ2-CD2 3.88Å; W909-L931 HydrophobicContact CZ3-CD2 3.63Å; F926-L931 HydrophobicContact CE2-CD2 4.02Å; S929-L931 PolarHBondContact O-N 3.32Å; S929-L931 VanDerWaalsContact O-N 3.12Å; L931-Q933 PolarHBondContact O-N 2.88Å; L931-A934 WeakPolarHBondContact O-CB 3.47Å; L931-A934 PolarHBondContact O-N 3.04Å; L931-A934 VanDerWaalsContact O-N 3.14Å; L931-I935 HydrophobicContact CG-CD1 4.01Å; L931-I935 VanDerWaalsContact O-CG1 3.27Å; L931-I935 WeakPolarHBondContact O-CG1 3.23Å; L931-I935 PolarHBondContact O-N 3.37Å |
| 932 | C | 70.2 | Confident | 64.5 | Low | 3 Ų | 3 | 67.5 Ų | 67.5 | 2% | 0.02 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.7 | -38.4 | 175.3 | -78.9 | 0 | 0 | 0 | 0 | 110.9 | F926 S929 I935 Q936 Y970 | F926-C932 PolarHBondContact O-SG 3.24Å; S929-C932 PolarHBondContact O-N 3.48Å; S929-C932 PolarHBondContact OG-N 3.44Å; C932-I935 PolarHBondContact O-N 2.98Å; C932-Q936 VanDerWaalsContact O-CB 3.26Å; C932-Q936 WeakPolarHBondContact O-CB 3.33Å; C932-Q936 PolarHBondContact O-N 3.19Å; C932-Y970 HydrophobicContact CB-CD1 4.47Å; C932-Y970 HydrophobicContact CB-CD2 4.33Å; C932-Y970 HydrophobicContact CB-CE1 4.25Å; C932-Y970 HydrophobicContact CB-CE2 4.15Å |
| 933 | Q | 69.9 | Low | 66.4 | Low | 66 Ų | 66 | 62.7 Ų | 62.7 | 31% | 0.308 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.9 | -40.9 | 174.2 | -172.3 | 171.4 | -8.9 | 0 | 0 | 111.9 | S929 D930 L931 Q936 E937 | S929-Q933 PolarHBondContact O-N 2.84Å; D930-Q933 CarbonylContact O-C 3.51Å; D930-Q933 WeakPolarHBondContact O-CB 2.92Å; D930-Q933 PolarHBondContact O-N 3.04Å; L931-Q933 PolarHBondContact O-N 2.88Å; Q933-Q936 PolarHBondContact O-N 3.23Å; Q933-E937 WeakPolarHBondContact O-CB 3.26Å; Q933-E937 WeakPolarHBondContact O-CG 3.29Å; Q933-E937 PolarHBondContact O-N 3.35Å |
| 934 | A | 71.7 | Confident | 68.1 | Low | 26 Ų | 26 | 59.4 Ų | 59.4 | 22% | 0.215 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.4 | -41.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | D930 L931 E937 Y938 | D930-A934 WeakPolarHBondContact O-CB 3.31Å; D930-A934 PolarHBondContact O-N 3.35Å; L931-A934 WeakPolarHBondContact O-CB 3.47Å; L931-A934 PolarHBondContact O-N 3.04Å; L931-A934 VanDerWaalsContact O-N 3.14Å; A934-E937 PolarHBondContact O-N 3Å; A934-Y938 VanDerWaalsContact O-CB 3.28Å; A934-Y938 WeakPolarHBondContact O-CB 3.43Å; A934-Y938 PolarHBondContact O-N 3.24Å |
| 935 | I | 75.5 | Confident | 70.3 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.7 | -49.4 | 174.3 | -65.1 | 162 | 0 | 0 | 0 | 109.7 | Y907 L931 C932 E937 Y938 I939 Y970 F973 C974 | Y907-I935 HydrophobicContact CD1-CD1 4.47Å; Y907-I935 HydrophobicContact CD1-CG1 3.63Å; Y907-I935 HydrophobicContact CE1-CG1 4.01Å; Y907-I935 HydrophobicContact CG-CG1 3.92Å; L931-I935 HydrophobicContact CG-CD1 4.01Å; L931-I935 VanDerWaalsContact O-CG1 3.27Å; L931-I935 WeakPolarHBondContact O-CG1 3.23Å; L931-I935 PolarHBondContact O-N 3.37Å; C932-I935 PolarHBondContact O-N 2.98Å; I935-E937 VanDerWaalsContact C-N 3.34Å; I935-E937 PolarHBondContact O-N 3.01Å; I935-Y938 PolarHBondContact O-N 3.11Å; I935-I939 HydrophobicContact CG2-CG1 4.27Å; I935-I939 WeakPolarHBondContact O-CG1 3.16Å; I935-I939 PolarHBondContact O-N 2.99Å; I935-Y970 HydrophobicContact CB-CD1 4.23Å; I935-Y970 HydrophobicContact CG2-CD1 3.93Å; I935-F973 HydrophobicContact CG2-CB 4.42Å; I935-C974 VanDerWaalsContact CD1-SG 3.57Å |
| 936 | Q | 77.5 | Confident | 72.2 | Confident | 47 Ų | 47 | 57.2 Ų | 57.2 | 22% | 0.22 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -55.8 | -48.9 | 177.2 | -177.3 | 177.1 | -10.1 | 0 | 0 | 110.9 | C932 Q933 Y938 T940 F964 Y970 | C932-Q936 VanDerWaalsContact O-CB 3.26Å; C932-Q936 WeakPolarHBondContact O-CB 3.33Å; C932-Q936 PolarHBondContact O-N 3.19Å; Q933-Q936 PolarHBondContact O-N 3.23Å; Q936-Y938 PolarHBondContact O-N 3.03Å; Q936-T940 WeakPolarHBondContact O-CB 3.18Å; Q936-T940 PolarHBondContact O-N 3.33Å; Q936-T940 PolarHBondContact O-OG1 3.26Å; Q936-F964 HydrophobicContact CG-CD2 3.72Å; Q936-F964 HydrophobicContact CG-CE2 3.78Å; Q936-F964 HydrophobicContact CG-CG 4.14Å; Q936-F964 HydrophobicContact CG-CZ 4.25Å; Q936-Y970 HydrophobicContact CB-CE1 4.22Å |
| 937 | E | 76.5 | Confident | 74.2 | Confident | 66 Ų | 66 | 53.3 Ų | 53.3 | 31% | 0.308 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.4 | -43.6 | 177.1 | -81.2 | -166.5 | -161 | 0 | 0 | 112.3 | Q933 A934 I935 K941 | Q933-E937 WeakPolarHBondContact O-CB 3.26Å; Q933-E937 WeakPolarHBondContact O-CG 3.29Å; Q933-E937 PolarHBondContact O-N 3.35Å; A934-E937 PolarHBondContact O-N 3Å; I935-E937 VanDerWaalsContact C-N 3.34Å; I935-E937 PolarHBondContact O-N 3.01Å; E937-K941 VanDerWaalsContact O-CB 3.25Å; E937-K941 WeakPolarHBondContact O-CB 3.5Å; E937-K941 WeakPolarHBondContact O-CD 3.13Å; E937-K941 WeakPolarHBondContact O-CG 3.46Å; E937-K941 PolarHBondContact O-N 3.33Å; E937-K941 IonicContact OE2-NZ 3.27Å; E937-K941 PolarHBondContact OE2-NZ 2.57Å |
| 938 | Y | 81 | Confident | 76 | Confident | 80 Ų | 80 | 48.4 Ų | 48.4 | 31% | 0.314 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64.7 | -43.4 | -178.6 | 177.2 | -102.5 | 0 | 0 | 0 | 112.4 | K905 C906 Y907 A934 I935 Q936 Q942 | K905-Y938 WeakPolarHBondContact O-CE1 3.3Å; C906-Y938 PolarHBondContact O-OH 3.2Å; Y907-Y938 AromaticContact CD2-CD1 3.62Å; Y907-Y938 HydrophobicContact CD2-CD1 3.62Å; Y907-Y938 HydrophobicContact CD2-CD2 4.1Å; Y907-Y938 HydrophobicContact CD2-CE1 4.23Å; Y907-Y938 AromaticContact CD2-CG 3.53Å; Y907-Y938 HydrophobicContact CD2-CG 3.53Å; Y907-Y938 HydrophobicContact CE2-CG 4.24Å; Y907-Y938 HydrophobicContact CG-CD1 4.21Å; A934-Y938 VanDerWaalsContact O-CB 3.28Å; A934-Y938 WeakPolarHBondContact O-CB 3.43Å; A934-Y938 PolarHBondContact O-N 3.24Å; I935-Y938 PolarHBondContact O-N 3.11Å; Q936-Y938 PolarHBondContact O-N 3.03Å; Y938-Q942 VanDerWaalsContact CZ-NE2 3.34Å; Y938-Q942 PolarHBondContact O-NE2 3.37Å |
| 939 | I | 81.1 | Confident | 77.6 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -71.7 | -44.6 | 178 | -61.8 | -62.4 | 0 | 0 | 0 | 110.4 | V904 I935 K941 Q942 I943 L963 F964 F973 | V904-I939 HydrophobicContact CG1-CD1 3.63Å; V904-I939 HydrophobicContact CG1-CG2 4.28Å; I935-I939 HydrophobicContact CG2-CG1 4.27Å; I935-I939 WeakPolarHBondContact O-CG1 3.16Å; I935-I939 PolarHBondContact O-N 2.99Å; I939-K941 VanDerWaalsContact C-N 3.28Å; I939-K941 PolarHBondContact O-N 3.34Å; I939-Q942 PolarHBondContact O-N 3.22Å; I939-I943 HydrophobicContact CG2-CD1 4.09Å; I939-I943 PolarHBondContact O-N 3.16Å; I939-L963 HydrophobicContact CG2-CD2 4.14Å; I939-F964 HydrophobicContact CB-CE1 4.36Å; I939-F964 HydrophobicContact CB-CZ 3.85Å; I939-F964 HydrophobicContact CG2-CE1 4.36Å; I939-F964 HydrophobicContact CG2-CZ 3.75Å; I939-F973 HydrophobicContact CD1-CB 3.95Å; I939-F973 HydrophobicContact CD1-CD1 3.7Å; I939-F973 HydrophobicContact CD1-CE1 4.45Å; I939-F973 HydrophobicContact CD1-CG 3.98Å; I939-F973 HydrophobicContact CG1-CB 4.1Å; I939-F973 HydrophobicContact CG1-CD1 4.2Å; I939-F973 HydrophobicContact CG1-CG 4.08Å; I939-F973 HydrophobicContact CG2-CD1 4.47Å; I939-F973 HydrophobicContact CG2-CE1 4.32Å; I939-F973 HydrophobicContact CG2-CZ 4.46Å |
| 940 | T | 78.3 | Confident | 78.3 | Confident | 29 Ų | 29 | 44.3 Ų | 44.3 | 18% | 0.178 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.4 | -34.5 | 177.5 | -53.1 | 0 | 0 | 0 | 0 | 111.7 | Q936 Q942 I943 L960 | Q936-T940 WeakPolarHBondContact O-CB 3.18Å; Q936-T940 PolarHBondContact O-N 3.33Å; Q936-T940 PolarHBondContact O-OG1 3.26Å; T940-Q942 PolarHBondContact O-N 3.26Å; T940-I943 PolarHBondContact O-N 3.03Å; T940-I943 VanDerWaalsContact O-O 3.09Å; T940-L960 HydrophobicContact CG2-CD1 4.09Å |
| 941 | K | 80.6 | Confident | 78.8 | Confident | 134 Ų | 134 | 49 Ų | 49 | 58% | 0.583 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -64.6 | -24.6 | 174.4 | -81.5 | 168.5 | -172 | 158.2 | 0 | 113.4 | E937 I939 | E937-K941 VanDerWaalsContact O-CB 3.25Å; E937-K941 WeakPolarHBondContact O-CB 3.5Å; E937-K941 WeakPolarHBondContact O-CD 3.13Å; E937-K941 WeakPolarHBondContact O-CG 3.46Å; E937-K941 PolarHBondContact O-N 3.33Å; E937-K941 IonicContact OE2-NZ 3.27Å; E937-K941 PolarHBondContact OE2-NZ 2.57Å; I939-K941 VanDerWaalsContact C-N 3.28Å; I939-K941 PolarHBondContact O-N 3.34Å |
| 942 | Q | 82.2 | Confident | 79.1 | Confident | 69 Ų | 69 | 52.2 Ų | 52.2 | 32% | 0.322 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -85.7 | -14.9 | 178 | -69 | 179.6 | 62.5 | 0 | 0 | 113.2 | V904 K905 Y938 I939 T940 | V904-Q942 HydrophobicContact CG1-CB 4.49Å; K905-Q942 PolarHBondContact O-NE2 3.17Å; Y938-Q942 VanDerWaalsContact CZ-NE2 3.34Å; Y938-Q942 PolarHBondContact O-NE2 3.37Å; I939-Q942 PolarHBondContact O-N 3.22Å; T940-Q942 PolarHBondContact O-N 3.26Å |
| 943 | I | 82.8 | Confident | 79.4 | Confident | 11 Ų | 11 | 57.3 Ų | 57.3 | 6% | 0.056 | 29% | 0.286 | C | S | . | . | trans | -113.2 | 106.6 | -175.9 | -54.7 | 169 | 0 | 0 | 0 | 109 | L868 M870 I902 I939 T940 L945 L960 L963 | L868-I943 HydrophobicContact CD2-CD1 3.76Å; M870-I943 HydrophobicContact CE-CG2 4.47Å; I902-I943 HydrophobicContact CD1-CG2 3.99Å; I939-I943 HydrophobicContact CG2-CD1 4.09Å; I939-I943 PolarHBondContact O-N 3.16Å; T940-I943 PolarHBondContact O-N 3.03Å; T940-I943 VanDerWaalsContact O-O 3.09Å; I943-L945 HydrophobicContact CG2-CD1 3.97Å; I943-L945 HydrophobicContact CG2-CG 3.98Å; I943-L960 HydrophobicContact CB-CD1 3.69Å; I943-L960 HydrophobicContact CD1-CD1 4.47Å; I943-L960 HydrophobicContact CG2-CD1 3.61Å; I943-L960 HydrophobicContact CG2-CD2 3.89Å; I943-L960 HydrophobicContact CG2-CG 4.41Å; I943-L963 HydrophobicContact CD1-CD2 4.36Å | ||
| 944 | N | 78.1 | Confident | 80.1 | Confident | 93 Ų | 93 | 55.8 Ų | 55.8 | 50% | 0.497 | 28% | 0.279 | S | S | . | . | trans | -117.7 | 83.1 | 176.2 | -176.3 | 20.2 | 0 | 0 | 0 | 110.1 | Q946 | N944-Q946 PolarHBondContact OD1-NE2 3.12Š| ||
| 945 | L | 86.8 | Confident | 80.8 | Confident | 5 Ų | 5 | 59.1 Ų | 59.1 | 3% | 0.026 | 30% | 0.297 | C | S | . | . | trans | -97.4 | 116.4 | 176.5 | -69.5 | 171.6 | 0 | 0 | 0 | 109.6 | M870 L872 L882 I884 I902 I943 V958 L960 | M870-L945 HydrophobicContact CE-CD1 3.65Å; M870-L945 HydrophobicContact SD-CD1 4.44Å; L872-L945 HydrophobicContact CD1-CD1 4.12Å; L882-L945 HydrophobicContact CD1-CB 4.5Å; L882-L945 HydrophobicContact CD1-CD2 4.49Å; I884-L945 HydrophobicContact CB-CD2 4.26Å; I884-L945 HydrophobicContact CG1-CD2 3.93Å; I884-L945 HydrophobicContact CG2-CD2 4.27Å; I902-L945 HydrophobicContact CD1-CD1 4.2Å; I902-L945 HydrophobicContact CD1-CD2 4.22Å; I902-L945 HydrophobicContact CD1-CG 4.32Å; I943-L945 HydrophobicContact CG2-CD1 3.97Å; I943-L945 HydrophobicContact CG2-CG 3.98Å; L945-V958 HydrophobicContact CB-CB 3.81Å; L945-V958 HydrophobicContact CB-CG2 3.77Å; L945-V958 PolarHBondContact O-N 3.4Å; L945-L960 HydrophobicContact CD1-CD2 4.48Å | ||
| 946 | Q | 87.6 | Confident | 81.3 | Confident | 82 Ų | 82 | 59.6 Ų | 59.6 | 38% | 0.383 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 145.8 | 177.4 | -64.1 | -176.4 | 0 | 0 | 0 | 110.3 | L882 H883 N944 G956 Q957 | L882-Q946 CarbonylContact C-O 3.42Å; H883-Q946 HydrophobicContact CB-CB 4.3Å; H883-Q946 PolarHBondContact N-O 3.27Å; H883-Q946 PolarHBondContact O-N 3.49Å; H883-Q946 VanDerWaalsContact O-N 3.13Å; N944-Q946 PolarHBondContact OD1-NE2 3.12Å; Q946-G956 CarbonylContact C-O 3.51Å; Q946-G956 WeakPolarHBondContact CA-O 3.24Å; Q946-Q957 HydrophobicContact CG-CG 4.29Å |
| 947 | W | 89.9 | Confident | 81.8 | Confident | 1 Ų | 1 | 61.3 Ų | 61.3 | 0% | 0.004 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 143.6 | 174 | 62.1 | -99.7 | 0 | 0 | 0 | 109.8 | Y715 A716 A849 V850 V880 D881 Q954 T955 G956 Q957 | Y715-W947 HydrophobicContact CG-CH2 4.26Å; A716-W947 WeakPolarHBondContact O-CZ2 3.05Å; A716-W947 PolarHBondContact O-NE1 3.45Å; A849-W947 HydrophobicContact CB-CD2 4.15Å; A849-W947 HydrophobicContact CB-CH2 4.01Å; A849-W947 HydrophobicContact CB-CZ2 3.56Å; A849-W947 HydrophobicContact CB-CZ3 4.45Å; V850-W947 HydrophobicContact CG2-CB 3.79Å; V850-W947 HydrophobicContact CG2-CG 3.94Å; V880-W947 HydrophobicContact CG1-CB 3.58Å; V880-W947 HydrophobicContact CG1-CE3 4.47Å; V880-W947 HydrophobicContact CG1-CG 4.45Å; D881-W947 CarbonylContact O-C 3.58Å; D881-W947 WeakPolarHBondContact O-CA 3.24Å; W947-Q954 HydrophobicContact CH2-CB 4.48Å; W947-Q954 HydrophobicContact CZ3-CB 4.19Å; W947-T955 WeakPolarHBondContact O-CA 3.27Å; W947-G956 VanDerWaalsContact CE2-CA 3.47Å; W947-G956 PolarHBondContact N-O 3.29Å; W947-G956 PolarHBondContact O-N 2.83Å; W947-Q957 PolarHBondContact NE1-O 3.05Å; W947-Q957 VanDerWaalsContact NE1-O 3.11Å |
| 948 | S | 87.7 | Confident | 82.2 | Confident | 18 Ų | 18 | 58.4 Ų | 58.4 | 13% | 0.126 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 129.4 | 173.5 | 61.7 | 0 | 0 | 0 | 0 | 111 | D881 H883 Q954 | D881-S948 PolarHBondContact N-O 3.03Å; D881-S948 PolarHBondContact O-N 3.31Å; H883-S948 PolarHBondContact NE2-OG 2.92Å; S948-Q954 WeakPolarHBondContact CA-O 3.35Å |
| 949 | N | 83.4 | Confident | 82 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 107 | 167.8 | 179 | -17.9 | 0 | 0 | 0 | 108.4 | D878 R951 Q952 S953 Q954 | D878-N949 VanDerWaalsContact CB-ND2 3.34Å; D878-N949 WeakPolarHBondContact CB-ND2 3.5Å; D878-N949 PolarHBondContact OD2-ND2 2.87Å; D878-N949 VanDerWaalsContact OD2-ND2 3.12Å; N949-R951 VanDerWaalsContact C-N 3.32Å; N949-R951 PolarHBondContact O-N 3.44Å; N949-R951 PolarHBondContact OD1-N 3.31Å; N949-Q952 PolarHBondContact OD1-N 2.63Å; N949-S953 PolarHBondContact O-N 3.26Å; N949-S953 VanDerWaalsContact O-N 3.11Å; N949-Q954 HydrophobicContact CB-CB 4.45Å; N949-Q954 PolarHBondContact N-O 3.27Å; N949-Q954 PolarHBondContact O-N 3.2Å |
| 950 | V | 73.2 | Confident | 81.9 | Confident | 104 Ų | 104 | 56.2 Ų | 56.2 | 63% | 0.63 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -33.8 | -176.6 | -177.4 | 0 | 0 | 0 | 0 | 111.8 | ||
| 951 | R | 75.3 | Confident | 81.5 | Confident | 177 Ų | 177 | 56.6 Ų | 56.6 | 67% | 0.668 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -43.2 | -177.6 | -65.2 | -171.7 | -162.5 | 166.3 | 1.4 | 112.5 | D878 D879 N949 | D878-R951 WeakPolarHBondContact OD1-CD 3.24Å; D878-R951 IonicContact OD1-CZ 2.76Å; D878-R951 IonicContact OD1-NE 3.46Å; D878-R951 IonicContact OD1-NH1 3.91Å; D878-R951 PolarHBondContact OD1-NH1 2.99Å; D879-R951 IonicContact OD2-NH2 2.61Å; N949-R951 VanDerWaalsContact C-N 3.32Å; N949-R951 PolarHBondContact O-N 3.44Å; N949-R951 PolarHBondContact OD1-N 3.31Å |
| 952 | Q | 71.5 | Confident | 80.9 | Confident | 84 Ų | 84 | 54.4 Ų | 54.4 | 39% | 0.393 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 1.9 | -178 | -61.2 | -169.9 | 25.4 | 0 | 0 | 113.3 | D878 N949 Q954 | D878-Q952 PolarHBondContact OD2-NE2 2.79Å; N949-Q952 PolarHBondContact OD1-N 2.63Å; Q952-Q954 HydrophobicContact CB-CB 4.47Å; Q952-Q954 HydrophobicContact CB-CG 3.94Å; Q952-Q954 PolarHBondContact O-N 3.48Å |
| 953 | S | 77.1 | Confident | 80.4 | Confident | 110 Ų | 110 | 51.1 Ų | 51.1 | 77% | 0.769 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 36.5 | -173.6 | -59.2 | 0 | 0 | 0 | 0 | 112.6 | N949 | N949-S953 PolarHBondContact O-N 3.26Å; N949-S953 VanDerWaalsContact O-N 3.11Å |
| 954 | Q | 83.5 | Confident | 79.9 | Confident | 35 Ų | 35 | 51.2 Ų | 51.2 | 16% | 0.164 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 138 | -179.7 | -71.1 | 166.9 | -3.8 | 0 | 0 | 109.5 | W947 S948 N949 Q952 | W947-Q954 HydrophobicContact CH2-CB 4.48Å; W947-Q954 HydrophobicContact CZ3-CB 4.19Å; S948-Q954 WeakPolarHBondContact CA-O 3.35Å; N949-Q954 HydrophobicContact CB-CB 4.45Å; N949-Q954 PolarHBondContact N-O 3.27Å; N949-Q954 PolarHBondContact O-N 3.2Å; Q952-Q954 HydrophobicContact CB-CB 4.47Å; Q952-Q954 HydrophobicContact CB-CG 3.94Å; Q952-Q954 PolarHBondContact O-N 3.48Å |
| 955 | T | 86.9 | Confident | 79.4 | Confident | 95 Ų | 95 | 51.2 Ų | 51.2 | 58% | 0.583 | 27% | 0.265 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 152.3 | 175 | 61.1 | 0 | 0 | 0 | 0 | 109 | W947 | W947-T955 WeakPolarHBondContact O-CA 3.27Å |
| 956 | G | 86.9 | Confident | 78.5 | Confident | 10 Ų | 10 | 54.6 Ų | 54.6 | 10% | 0.103 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165 | 175.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | G717 Q946 W947 | G717-G956 CarbonylContact O-C 3.57Å; G717-G956 WeakPolarHBondContact O-CA 3.45Å; Q946-G956 CarbonylContact C-O 3.51Å; Q946-G956 WeakPolarHBondContact CA-O 3.24Å; W947-G956 VanDerWaalsContact CE2-CA 3.47Å; W947-G956 PolarHBondContact N-O 3.29Å; W947-G956 PolarHBondContact O-N 2.83Å |
| 957 | Q | 86.6 | Confident | 77.4 | Confident | 84 Ų | 84 | 52.1 Ų | 52.1 | 39% | 0.393 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 147.2 | 175.5 | -67.6 | -173.4 | -17.2 | 0 | 0 | 111 | G717 Q946 W947 P959 | G717-Q957 VanDerWaalsContact CA-O 3.26Å; G717-Q957 WeakPolarHBondContact CA-O 3.46Å; G717-Q957 PolarHBondContact O-N 3.27Å; Q946-Q957 HydrophobicContact CG-CG 4.29Å; W947-Q957 PolarHBondContact NE1-O 3.05Å; W947-Q957 VanDerWaalsContact NE1-O 3.11Å; Q957-P959 WeakPolarHBondContact O-CD 3.38Å |
| 958 | V | 85.2 | Confident | 76.3 | Confident | 5 Ų | 5 | 56.1 Ų | 56.1 | 3% | 0.03 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -75.5 | 125.1 | 173.2 | -179.3 | 0 | 0 | 0 | 0 | 108.7 | V850 L872 L882 L945 L960 | V850-V958 HydrophobicContact CB-CG2 4.14Å; V850-V958 HydrophobicContact CG1-CG1 4.24Å; V850-V958 HydrophobicContact CG1-CG2 4.05Å; L872-V958 HydrophobicContact CD2-CG1 4.01Å; L882-V958 HydrophobicContact CD1-CG2 3.66Å; L945-V958 HydrophobicContact CB-CB 3.81Å; L945-V958 HydrophobicContact CB-CG2 3.77Å; L945-V958 PolarHBondContact O-N 3.4Å; V958-L960 PolarHBondContact O-N 3.27Å |
| 959 | P | 78.2 | Confident | 75.5 | Confident | 24 Ų | 24 | 56 Ų | 56 | 16% | 0.156 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 127.3 | 178 | -21.7 | 34.5 | 0 | 0 | 0 | 112.6 | A716 T752 D783 Q957 | A716-P959 HydrophobicContact CB-CG 4.33Å; T752-P959 HydrophobicContact CG2-CB 3.65Å; T752-P959 HydrophobicContact CG2-CG 3.43Å; T752-P959 VanDerWaalsContact CG2-CG 3.43Å; D783-P959 WeakPolarHBondContact OD1-CB 3.39Å; D783-P959 VanDerWaalsContact OD2-CA 3.26Å; D783-P959 WeakPolarHBondContact OD2-CA 3.45Å; Q957-P959 WeakPolarHBondContact O-CD 3.38Å |
| 960 | L | 77.3 | Confident | 75.1 | Confident | 9 Ų | 9 | 56.8 Ų | 56.8 | 5% | 0.047 | 30% | 0.299 | C | S | . | . | trans | -106.5 | -6.3 | -178.8 | -62.3 | 175 | 0 | 0 | 0 | 113.4 | D783 M870 T940 I943 L945 V958 R962 L963 | D783-L960 PolarHBondContact OD2-N 3.5Å; M870-L960 HydrophobicContact SD-CD2 4.35Å; T940-L960 HydrophobicContact CG2-CD1 4.09Å; I943-L960 HydrophobicContact CB-CD1 3.69Å; I943-L960 HydrophobicContact CD1-CD1 4.47Å; I943-L960 HydrophobicContact CG2-CD1 3.61Å; I943-L960 HydrophobicContact CG2-CD2 3.89Å; I943-L960 HydrophobicContact CG2-CG 4.41Å; L945-L960 HydrophobicContact CD1-CD2 4.48Å; V958-L960 PolarHBondContact O-N 3.27Å; L960-R962 PolarHBondContact O-N 3.47Å; L960-L963 VanDerWaalsContact O-CB 3.23Å; L960-L963 WeakPolarHBondContact O-CB 3.35Å; L960-L963 PolarHBondContact O-N 3.03Å | ||
| 961 | L | 69.9 | Low | 74.9 | Confident | 38 Ų | 38 | 58.2 Ų | 58.2 | 20% | 0.199 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -53 | -35.9 | -173.7 | -166.3 | 68.6 | 0 | 0 | 0 | 113 | L963 F964 | L961-L963 PolarHBondContact O-N 2.87Å; L961-L963 VanDerWaalsContact O-N 3.15Å; L961-F964 PolarHBondContact O-N 3.37Å |
| 962 | R | 68.5 | Low | 75 | Confident | 88 Ų | 88 | 54.2 Ų | 54.2 | 33% | 0.332 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -61.1 | -19.8 | 177.4 | -83 | -159.9 | 159.6 | -174.6 | -7.4 | 115.7 | M852 L960 F964 D965 | M852-R962 HydrophobicContact CE-CB 3.64Å; L960-R962 PolarHBondContact O-N 3.47Å; R962-F964 PolarHBondContact O-N 3.17Å; R962-D965 WeakPolarHBondContact CG-OD2 3.32Å |
| 963 | L | 71.8 | Confident | 75.4 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -63.1 | -25 | 175.7 | -171.1 | 67.8 | 0 | 0 | 0 | 111 | M852 W855 L868 I939 I943 L960 L961 F973 | M852-L963 HydrophobicContact CE-CB 4.2Å; W855-L963 HydrophobicContact CD2-CD1 3.75Å; W855-L963 HydrophobicContact CE3-CD1 3.81Å; W855-L963 HydrophobicContact CG-CD1 4.14Å; W855-L963 HydrophobicContact CZ3-CD1 4.37Å; L868-L963 HydrophobicContact CD1-CD1 3.58Å; L868-L963 HydrophobicContact CD2-CD1 3.92Å; L868-L963 HydrophobicContact CD2-CD2 3.78Å; L868-L963 HydrophobicContact CG-CD1 4.4Å; I939-L963 HydrophobicContact CG2-CD2 4.14Å; I943-L963 HydrophobicContact CD1-CD2 4.36Å; L960-L963 VanDerWaalsContact O-CB 3.23Å; L960-L963 WeakPolarHBondContact O-CB 3.35Å; L960-L963 PolarHBondContact O-N 3.03Å; L961-L963 PolarHBondContact O-N 2.87Å; L961-L963 VanDerWaalsContact O-N 3.15Å; L963-F973 HydrophobicContact CD1-CE2 4.5Å; L963-F973 HydrophobicContact CD1-CZ 4.34Å; L963-F973 HydrophobicContact CD2-CE2 4.13Å; L963-F973 HydrophobicContact CD2-CZ 3.96Å; L963-F973 HydrophobicContact CG-CE2 4.19Å; L963-F973 HydrophobicContact CG-CZ 4.31Å |
| 964 | F | 72.6 | Confident | 75.5 | Confident | 13 Ų | 13 | 45.7 Ų | 45.7 | 6% | 0.057 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -114.1 | 12.2 | -171.8 | -54.5 | -73.5 | 0 | 0 | 0 | 113.9 | Q936 I939 L961 R962 N966 Y970 F973 | Q936-F964 HydrophobicContact CG-CD2 3.72Å; Q936-F964 HydrophobicContact CG-CE2 3.78Å; Q936-F964 HydrophobicContact CG-CG 4.14Å; Q936-F964 HydrophobicContact CG-CZ 4.25Å; I939-F964 HydrophobicContact CB-CE1 4.36Å; I939-F964 HydrophobicContact CB-CZ 3.85Å; I939-F964 HydrophobicContact CG2-CE1 4.36Å; I939-F964 HydrophobicContact CG2-CZ 3.75Å; L961-F964 PolarHBondContact O-N 3.37Å; R962-F964 PolarHBondContact O-N 3.17Å; F964-N966 PolarHBondContact O-N 2.89Å; F964-Y970 HydrophobicContact CB-CE1 4.02Å; F964-Y970 WeakPolarHBondContact CB-OH 3.2Å; F964-Y970 AromaticContact CD1-CD1 3.86Å; F964-Y970 HydrophobicContact CD1-CD1 3.86Å; F964-Y970 AromaticContact CD1-CE1 3.4Å; F964-Y970 HydrophobicContact CD1-CE1 3.4Å; F964-Y970 HydrophobicContact CE1-CD1 4.37Å; F964-Y970 HydrophobicContact CE1-CE1 4.17Å; F964-Y970 AromaticContact CG-CE1 3.98Å; F964-Y970 HydrophobicContact CG-CE1 3.98Å; F964-F973 HydrophobicContact CE1-CD2 4.43Å; F964-F973 HydrophobicContact CE1-CE2 4.44Å |
| 965 | D | 67.3 | Low | 74.9 | Confident | 93 Ų | 93 | 44.3 Ų | 44.3 | 50% | 0.497 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -60.5 | -31.4 | 178.7 | -77.9 | -13 | 0 | 0 | 0 | 112.5 | R962 | R962-D965 WeakPolarHBondContact CG-OD2 3.32Š|
| 966 | N | 68.2 | Low | 74 | Confident | 76 Ų | 76 | 41.8 Ų | 41.8 | 41% | 0.406 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -106.1 | 114.2 | 177.4 | 169.6 | 8 | 0 | 0 | 0 | 109.9 | F964 T968 L969 | F964-N966 PolarHBondContact O-N 2.89Å; N966-T968 PolarHBondContact ND2-OG1 2.88Å; N966-T968 VanDerWaalsContact ND2-OG1 3.08Å; N966-T968 PolarHBondContact O-N 3.36Å; N966-T968 VanDerWaalsContact O-N 3.11Å; N966-T968 PolarHBondContact OD1-N 3.35Å; N966-T968 PolarHBondContact OD1-OG1 3.38Å; N966-L969 HydrophobicContact CB-CD1 3.49Å; N966-L969 VanDerWaalsContact CB-CD1 3.49Å; N966-L969 WeakPolarHBondContact O-CB 3.19Å; N966-L969 WeakPolarHBondContact O-CD1 3.23Å; N966-L969 PolarHBondContact O-N 3.02Å; N966-L969 VanDerWaalsContact O-N 3.09Å |
| 967 | P | 64.2 | Low | 72.9 | Confident | 30 Ų | 30 | 44.2 Ų | 44.2 | 20% | 0.195 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -68.8 | -12.9 | -173.3 | 24.1 | -30.9 | 0 | 0 | 0 | 114.2 | E927 L969 Y970 | E927-P967 HydrophobicContact CB-CB 3.9Å; E927-P967 HydrophobicContact CB-CG 4.17Å; E927-P967 VanDerWaalsContact CD-CG 3.44Å; E927-P967 HydrophobicContact CG-CB 3.58Å; E927-P967 HydrophobicContact CG-CG 3.57Å; E927-P967 WeakPolarHBondContact OE1-CG 3.41Å; P967-L969 PolarHBondContact O-N 3.47Å; P967-Y970 HydrophobicContact CB-CD2 4.15Å; P967-Y970 HydrophobicContact CB-CE2 4.06Å; P967-Y970 VanDerWaalsContact O-CD2 3.24Å; P967-Y970 WeakPolarHBondContact O-CD2 3.4Å |
| 968 | T | 67.1 | Low | 71.9 | Confident | 85 Ų | 85 | 42.8 Ų | 42.8 | 52% | 0.521 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -68.1 | -20.5 | 173.1 | 58.4 | 0 | 0 | 0 | 0 | 112.7 | N966 Q971 | N966-T968 PolarHBondContact ND2-OG1 2.88Å; N966-T968 VanDerWaalsContact ND2-OG1 3.08Å; N966-T968 PolarHBondContact O-N 3.36Å; N966-T968 VanDerWaalsContact O-N 3.11Å; N966-T968 PolarHBondContact OD1-N 3.35Å; N966-T968 PolarHBondContact OD1-OG1 3.38Å; T968-Q971 PolarHBondContact O-N 3.06Å |
| 969 | L | 71.4 | Confident | 71 | Confident | 15 Ų | 15 | 44.1 Ų | 44.1 | 8% | 0.079 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -77.1 | -22.2 | -177.7 | -78 | 128.7 | 0 | 0 | 0 | 115.1 | W855 I857 N966 P967 Q971 E972 | W855-L969 HydrophobicContact CH2-CD1 3.39Å; W855-L969 HydrophobicContact CH2-CD2 3.21Å; W855-L969 HydrophobicContact CH2-CG 3.84Å; W855-L969 HydrophobicContact CZ2-CD1 4.03Å; W855-L969 HydrophobicContact CZ2-CD2 4.46Å; W855-L969 HydrophobicContact CZ3-CD1 4.39Å; W855-L969 HydrophobicContact CZ3-CD2 3.33Å; W855-L969 HydrophobicContact CZ3-CG 4.41Å; I857-L969 HydrophobicContact CD1-CD2 3.46Å; I857-L969 VanDerWaalsContact CD1-CD2 3.46Å; I857-L969 HydrophobicContact CG1-CD2 4.4Å; N966-L969 HydrophobicContact CB-CD1 3.49Å; N966-L969 VanDerWaalsContact CB-CD1 3.49Å; N966-L969 WeakPolarHBondContact O-CB 3.19Å; N966-L969 WeakPolarHBondContact O-CD1 3.23Å; N966-L969 PolarHBondContact O-N 3.02Å; N966-L969 VanDerWaalsContact O-N 3.09Å; P967-L969 PolarHBondContact O-N 3.47Å; L969-Q971 PolarHBondContact O-N 3.38Å; L969-Q971 VanDerWaalsContact O-N 3.13Å; L969-E972 PolarHBondContact O-N 3.4Å |
| 970 | Y | 74.2 | Confident | 70.5 | Confident | 17 Ų | 17 | 47.2 Ų | 47.2 | 7% | 0.067 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -55.2 | -32.8 | 173.4 | -65 | -71 | 0 | 0 | 0 | 111.1 | C932 I935 Q936 F964 P967 E972 F973 C974 | C932-Y970 HydrophobicContact CB-CD1 4.47Å; C932-Y970 HydrophobicContact CB-CD2 4.33Å; C932-Y970 HydrophobicContact CB-CE1 4.25Å; C932-Y970 HydrophobicContact CB-CE2 4.15Å; I935-Y970 HydrophobicContact CB-CD1 4.23Å; I935-Y970 HydrophobicContact CG2-CD1 3.93Å; Q936-Y970 HydrophobicContact CB-CE1 4.22Å; F964-Y970 HydrophobicContact CB-CE1 4.02Å; F964-Y970 WeakPolarHBondContact CB-OH 3.2Å; F964-Y970 AromaticContact CD1-CD1 3.86Å; F964-Y970 HydrophobicContact CD1-CD1 3.86Å; F964-Y970 AromaticContact CD1-CE1 3.4Å; F964-Y970 HydrophobicContact CD1-CE1 3.4Å; F964-Y970 HydrophobicContact CE1-CD1 4.37Å; F964-Y970 HydrophobicContact CE1-CE1 4.17Å; F964-Y970 AromaticContact CG-CE1 3.98Å; F964-Y970 HydrophobicContact CG-CE1 3.98Å; P967-Y970 HydrophobicContact CB-CD2 4.15Å; P967-Y970 HydrophobicContact CB-CE2 4.06Å; P967-Y970 VanDerWaalsContact O-CD2 3.24Å; P967-Y970 WeakPolarHBondContact O-CD2 3.4Å; Y970-E972 PolarHBondContact O-N 3.36Å; Y970-F973 PolarHBondContact O-N 3.33Å; Y970-C974 PolarHBondContact O-N 3.09Å; Y970-C974 PolarHBondContact O-SG 3.05Å |
| 971 | Q | 70.3 | Confident | 70.1 | Confident | 135 Ų | 135 | 49.9 Ų | 49.9 | 63% | 0.631 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -67.4 | -32.4 | 178.1 | -62.2 | -177.6 | -10.2 | 0 | 0 | 112.9 | T968 L969 F973 C974 | T968-Q971 PolarHBondContact O-N 3.06Å; L969-Q971 PolarHBondContact O-N 3.38Å; L969-Q971 VanDerWaalsContact O-N 3.13Å; Q971-F973 VanDerWaalsContact C-N 3.29Å; Q971-F973 PolarHBondContact O-N 3.27Å; Q971-C974 PolarHBondContact O-N 3.26Å |
| 972 | E | 76.4 | Confident | 70.2 | Confident | 93 Ų | 93 | 50.4 Ų | 50.4 | 44% | 0.435 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -25.2 | 179.2 | -64.1 | -159.7 | 167.5 | 0 | 0 | 112.9 | I857 R866 L969 Y970 | I857-E972 WeakPolarHBondContact CB-OE2 3.19Å; I857-E972 HydrophobicContact CD1-CB 4.13Å; I857-E972 HydrophobicContact CG2-CB 4.45Å; R866-E972 PolarHBondContact NE-O 2.88Å; L969-E972 PolarHBondContact O-N 3.4Å; Y970-E972 PolarHBondContact O-N 3.36Å |
| 973 | F | 80.9 | Confident | 70.4 | Confident | 1 Ų | 1 | 47 Ų | 47 | 0% | 0.004 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -1 | 174.8 | -72.8 | -66.2 | 0 | 0 | 0 | 113.7 | I857 C906 Y907 I935 I939 L963 F964 Y970 Q971 | I857-F973 HydrophobicContact CD1-CD2 4.05Å; I857-F973 HydrophobicContact CD1-CE1 4.16Å; I857-F973 HydrophobicContact CD1-CE2 3.36Å; I857-F973 HydrophobicContact CD1-CZ 3.42Å; I857-F973 VanDerWaalsContact CD1-CZ 3.42Å; I857-F973 HydrophobicContact CG1-CE2 4.35Å; I857-F973 HydrophobicContact CG1-CZ 3.95Å; C906-F973 CarbonylContact C-O 3.56Å; C906-F973 WeakPolarHBondContact CA-O 3.36Å; C906-F973 WeakPolarHBondContact CB-O 3.33Å; Y907-F973 PolarHBondContact N-O 3.35Å; I935-F973 HydrophobicContact CG2-CB 4.42Å; I939-F973 HydrophobicContact CD1-CB 3.95Å; I939-F973 HydrophobicContact CD1-CD1 3.7Å; I939-F973 HydrophobicContact CD1-CE1 4.45Å; I939-F973 HydrophobicContact CD1-CG 3.98Å; I939-F973 HydrophobicContact CG1-CB 4.1Å; I939-F973 HydrophobicContact CG1-CD1 4.2Å; I939-F973 HydrophobicContact CG1-CG 4.08Å; I939-F973 HydrophobicContact CG2-CD1 4.47Å; I939-F973 HydrophobicContact CG2-CE1 4.32Å; I939-F973 HydrophobicContact CG2-CZ 4.46Å; L963-F973 HydrophobicContact CD1-CE2 4.5Å; L963-F973 HydrophobicContact CD1-CZ 4.34Å; L963-F973 HydrophobicContact CD2-CE2 4.13Å; L963-F973 HydrophobicContact CD2-CZ 3.96Å; L963-F973 HydrophobicContact CG-CE2 4.19Å; L963-F973 HydrophobicContact CG-CZ 4.31Å; F964-F973 HydrophobicContact CE1-CD2 4.43Å; F964-F973 HydrophobicContact CE1-CE2 4.44Å; Y970-F973 PolarHBondContact O-N 3.33Å; Q971-F973 VanDerWaalsContact C-N 3.29Å; Q971-F973 PolarHBondContact O-N 3.27Å |
| 974 | C | 77.6 | Confident | 70.6 | Confident | 13 Ų | 13 | 48.4 Ų | 48.4 | 9% | 0.088 | 26% | 0.262 | C | S | . | . | B | Isolated β-bridge | trans | -93.5 | 149.7 | 178.1 | -70.1 | 0 | 0 | 0 | 0 | 112 | I935 Y970 Q971 | I935-C974 VanDerWaalsContact CD1-SG 3.57Å; Y970-C974 PolarHBondContact O-N 3.09Å; Y970-C974 PolarHBondContact O-SG 3.05Å; Q971-C974 PolarHBondContact O-N 3.26Å |
| 975 | V | 71.8 | Confident | 70.6 | Confident | 7 Ų | 7 | 51.6 Ų | 51.6 | 4% | 0.042 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 129 | 165.2 | 176.6 | 0 | 0 | 0 | 0 | 108.7 | W863 L864 C906 Y907 Q908 L1014 | W863-V975 HydrophobicContact CE3-CG1 4.06Å; W863-V975 HydrophobicContact CZ3-CG1 3.64Å; L864-V975 HydrophobicContact CD2-CG1 4.37Å; L864-V975 HydrophobicContact CD2-CG2 3.83Å; C906-V975 HydrophobicContact CB-CG2 3.92Å; Y907-V975 PolarHBondContact O-N 3.26Å; Q908-V975 HydrophobicContact CB-CG2 4.32Å; Q908-V975 HydrophobicContact CG-CG2 4.49Å; V975-L1014 HydrophobicContact CG1-CD1 3.84Å |
| 976 | P | 67 | Low | 70.6 | Confident | 42 Ų | 42 | 52 Ų | 52 | 27% | 0.273 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 133.3 | 177.9 | 23.1 | -31 | 0 | 0 | 0 | 110.7 | I978 | P976-I978 VanDerWaalsContact C-N 3.25Å; P976-I978 PolarHBondContact O-N 3.4Å |
| 977 | P | 64.1 | Low | 70.5 | Confident | 60 Ų | 60 | 52 Ų | 52 | 39% | 0.39 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -71 | -20.4 | -174.3 | 26.5 | -34.4 | 0 | 0 | 0 | 113.7 | ||
| 978 | I | 65.7 | Low | 69.9 | Low | 54 Ų | 54 | 55.5 Ų | 55.5 | 28% | 0.277 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 123.8 | 178.4 | -52.1 | 177.7 | 0 | 0 | 0 | 107.6 | P976 F1011 L1013 I1019 V1021 | P976-I978 VanDerWaalsContact C-N 3.25Å; P976-I978 PolarHBondContact O-N 3.4Å; I978-F1011 HydrophobicContact CG2-CD1 4.15Å; I978-L1013 HydrophobicContact CG1-CD1 4Å; I978-I1019 HydrophobicContact CD1-CD1 3.81Å; I978-I1019 HydrophobicContact CD1-CG2 4.13Å; I978-I1019 HydrophobicContact CG1-CD1 3.98Å; I978-V1021 HydrophobicContact CD1-CG2 4.12Å |
| 979 | L | 66.6 | Low | 69.2 | Low | 33 Ų | 33 | 53.3 Ų | 53.3 | 17% | 0.173 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 129.7 | 165.5 | -136.8 | 96.2 | 0 | 0 | 0 | 109 | W863 E981 F1011 A1012 | W863-L979 HydrophobicContact CD2-CD1 3.78Å; W863-L979 HydrophobicContact CE3-CD1 3.93Å; W863-L979 HydrophobicContact CG-CD1 4.06Å; W863-L979 HydrophobicContact CZ3-CD1 4.39Å; L979-E981 HydrophobicContact CD2-CG 4.34Å; L979-F1011 WeakPolarHBondContact O-CA 3.36Å; L979-A1012 HydrophobicContact CB-CB 4.02Å; L979-A1012 PolarHBondContact N-O 3.44Å; L979-A1012 PolarHBondContact O-N 3.06Å |
| 980 | L | 67.5 | Low | 68.2 | Low | 90 Ų | 90 | 56.5 Ų | 56.5 | 47% | 0.471 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 112.9 | 173.7 | 178 | 60 | 0 | 0 | 0 | 108.8 | V982 F1009 F1011 | L980-V982 HydrophobicContact CD2-CG2 4.44Å; L980-V982 HydrophobicContact CG-CG2 4.21Å; L980-F1009 HydrophobicContact CD1-CB 3.96Å; L980-F1009 HydrophobicContact CD1-CD1 3.9Å; L980-F1009 HydrophobicContact CD1-CG 4.41Å; L980-F1009 HydrophobicContact CD2-CD1 4.48Å; L980-F1011 HydrophobicContact CD1-CD1 3.9Å; L980-F1011 HydrophobicContact CD1-CD2 4.46Å; L980-F1011 HydrophobicContact CD1-CE1 3.42Å; L980-F1011 VanDerWaalsContact CD1-CE1 3.42Å; L980-F1011 HydrophobicContact CD1-CE2 4.03Å; L980-F1011 HydrophobicContact CD1-CG 4.38Å; L980-F1011 HydrophobicContact CD1-CZ 3.44Å; L980-F1011 VanDerWaalsContact CD1-CZ 3.44Å; L980-F1011 HydrophobicContact CG-CE1 4.4Å |
| 981 | E | 70 | Confident | 66.9 | Low | 65 Ų | 65 | 64 Ų | 64 | 30% | 0.304 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 133.6 | 166.6 | -57.5 | 175 | 155.2 | 0 | 0 | 108.6 | L979 F1009 R1010 | L979-E981 HydrophobicContact CD2-CG 4.34Å; E981-F1009 CarbonylContact O-C 3.58Å; E981-F1009 WeakPolarHBondContact O-CA 3.3Å; E981-R1010 HydrophobicContact CB-CB 4.16Å; E981-R1010 PolarHBondContact N-O 3.25Å; E981-R1010 PolarHBondContact O-N 3.06Å; E981-R1010 VanDerWaalsContact OE2-CD 3.27Å; E981-R1010 WeakPolarHBondContact OE2-CD 3.49Å |
| 982 | V | 71.5 | Confident | 65.5 | Low | 48 Ų | 48 | 60.6 Ų | 60.6 | 29% | 0.291 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 140.6 | 175.2 | -172.2 | 0 | 0 | 0 | 0 | 107.2 | L980 T989 I1007 A1008 F1009 | L980-V982 HydrophobicContact CD2-CG2 4.44Å; L980-V982 HydrophobicContact CG-CG2 4.21Å; V982-T989 WeakPolarHBondContact O-CB 3.48Å; V982-T989 VanDerWaalsContact O-CG2 3.25Å; V982-T989 WeakPolarHBondContact O-CG2 3.32Å; V982-T989 PolarHBondContact O-OG1 2.86Å; V982-I1007 HydrophobicContact CG1-CG2 3.91Å; V982-A1008 CarbonylContact C-O 3.57Å; V982-A1008 WeakPolarHBondContact CA-O 3.44Å; V982-F1009 HydrophobicContact CB-CE1 4.46Å; V982-F1009 HydrophobicContact CG1-CD1 4.27Å; V982-F1009 HydrophobicContact CG1-CE1 3.88Å; V982-F1009 HydrophobicContact CG1-CZ 4.47Å; V982-F1009 HydrophobicContact CG2-CD1 3.83Å; V982-F1009 HydrophobicContact CG2-CE1 3.82Å |
| 983 | S | 73.2 | Confident | 64.1 | Low | 16 Ų | 16 | 61.7 Ų | 61.7 | 11% | 0.112 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 144.3 | 169.9 | 53.6 | 0 | 0 | 0 | 0 | 109.1 | C987 I1007 A1008 | S983-C987 WeakPolarHBondContact CA-O 3.15Å; S983-C987 VanDerWaalsContact CB-O 3.28Å; S983-C987 WeakPolarHBondContact CB-O 3.45Å; S983-I1007 CarbonylContact O-C 3.56Å; S983-I1007 WeakPolarHBondContact O-CA 3.3Å; S983-A1008 PolarHBondContact N-O 3.24Å; S983-A1008 PolarHBondContact O-N 3.4Å; S983-A1008 WeakPolarHBondContact OG-CB 3.41Å; S983-A1008 PolarHBondContact OG-O 3.49Å |
| 984 | V | 74.2 | Confident | 62.4 | Low | 30 Ų | 30 | 69 Ų | 69 | 18% | 0.182 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 125.4 | 176.1 | -177.1 | 0 | 0 | 0 | 0 | 107.2 | N986 C987 L997 A1005 R1006 I1007 | V984-N986 PolarHBondContact O-N 3.28Å; V984-C987 WeakPolarHBondContact O-CB 3.02Å; V984-C987 PolarHBondContact O-N 2.84Å; V984-L997 HydrophobicContact CB-CD1 4.44Å; V984-L997 HydrophobicContact CG2-CD1 3.96Å; V984-A1005 HydrophobicContact CG1-CB 4.25Å; V984-R1006 CarbonylContact C-O 3.55Å; V984-R1006 WeakPolarHBondContact CA-O 3.44Å; V984-I1007 HydrophobicContact CG2-CG1 4.37Å |
| 985 | D | 73.7 | Confident | 60.9 | Low | 80 Ų | 80 | 73.9 Ų | 73.9 | 43% | 0.428 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 35.8 | -175.1 | -67.7 | -30.5 | 0 | 0 | 0 | 114.1 | C987 A1005 R1006 | D985-C987 PolarHBondContact O-N 2.89Å; D985-A1005 WeakPolarHBondContact OD1-CA 3.27Å; D985-R1006 PolarHBondContact N-O 3.11Å; D985-R1006 PolarHBondContact OD1-N 3.24Å |
| 986 | N | 67 | Low | 60.1 | Low | 103 Ų | 103 | 81.4 Ų | 81.4 | 55% | 0.551 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | 15.9 | -174.2 | -60.7 | -22 | 0 | 0 | 0 | 115 | V984 D988 | V984-N986 PolarHBondContact O-N 3.28Å; N986-D988 PolarHBondContact O-N 3.3Å |
| 987 | C | 65.7 | Low | 59.7 | Low | 76 Ų | 76 | 83.5 Ų | 83.5 | 51% | 0.514 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 111.1 | 162.8 | -75.6 | 0 | 0 | 0 | 0 | 108.5 | S983 V984 D985 T989 | S983-C987 WeakPolarHBondContact CA-O 3.15Å; S983-C987 VanDerWaalsContact CB-O 3.28Å; S983-C987 WeakPolarHBondContact CB-O 3.45Å; V984-C987 WeakPolarHBondContact O-CB 3.02Å; V984-C987 PolarHBondContact O-N 2.84Å; D985-C987 PolarHBondContact O-N 2.89Å; C987-T989 PolarHBondContact O-N 3.27Å |
| 988 | D | 52.6 | Low | 59.7 | Low | 103 Ų | 103 | 86.5 Ų | 86.5 | 55% | 0.551 | 49% | 0.485 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 121.7 | 175.7 | -75.1 | -32.6 | 0 | 0 | 0 | 110 | N986 T990 | N986-D988 PolarHBondContact O-N 3.3Å; D988-T990 PolarHBondContact O-N 3.27Å |
| 989 | T | 52.1 | Low | 59.6 | Low | 39 Ų | 39 | 87.8 Ų | 87.8 | 24% | 0.239 | 50% | 0.497 | C | S | . | . | G | 310 helix | trans | -84.2 | 12.1 | 178.4 | 71.3 | 0 | 0 | 0 | 0 | 113.3 | V982 C987 H991 L992 L997 | V982-T989 WeakPolarHBondContact O-CB 3.48Å; V982-T989 VanDerWaalsContact O-CG2 3.25Å; V982-T989 WeakPolarHBondContact O-CG2 3.32Å; V982-T989 PolarHBondContact O-OG1 2.86Å; C987-T989 PolarHBondContact O-N 3.27Å; T989-H991 PolarHBondContact O-N 2.97Å; T989-L992 PolarHBondContact O-N 3.04Å; T989-L992 VanDerWaalsContact O-N 3.12Å; T989-L997 HydrophobicContact CG2-CD1 3.92Å |
| 990 | T | 49.5 | Very low | 59.6 | Low | 82 Ų | 82 | 92 Ų | 92 | 50% | 0.503 | 52% | 0.519 | S | S | . | . | G | 310 helix | trans | -58.6 | -13.5 | -175.6 | 48.7 | 0 | 0 | 0 | 0 | 113.3 | D988 | D988-T990 PolarHBondContact O-N 3.27Š|
| 991 | H | 47 | Very low | 59.3 | Low | 173 Ų | 173 | 93.8 Ų | 93.8 | 80% | 0.801 | 53% | 0.533 | S | S | * | . | G | 310 helix | trans | -123.9 | 10.8 | 177.9 | -73.6 | -77.6 | 0 | 0 | 0 | 116.2 | T989 | T989-H991 PolarHBondContact O-N 2.97Š|
| 992 | L | 42.3 | Very low | 58.9 | Low | 65 Ų | 65 | 97.1 Ų | 97.1 | 34% | 0.34 | 56% | 0.562 | S | S | . | * | trans | -111.4 | 65.4 | -172.5 | -61.7 | 163.8 | 0 | 0 | 0 | 111.3 | T989 N994 N995 L997 | T989-L992 PolarHBondContact O-N 3.04Å; T989-L992 VanDerWaalsContact O-N 3.12Å; L992-N994 PolarHBondContact O-N 2.93Å; L992-N995 HydrophobicContact CD2-CB 3.52Å; L992-L997 HydrophobicContact CD1-CD2 4.14Å | ||
| 993 | S | 45.4 | Very low | 58.9 | Low | 115 Ų | 115 | 103.5 Ų | 103.5 | 80% | 0.804 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -75.2 | -5.1 | 171.7 | 58.8 | 0 | 0 | 0 | 0 | 113.6 | ||
| 994 | N | 46.5 | Very low | 58.7 | Low | 155 Ų | 155 | 107.4 Ų | 107.4 | 83% | 0.829 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -151.6 | 12.7 | -175.2 | -98.6 | -12.2 | 0 | 0 | 0 | 116.1 | L992 | L992-N994 PolarHBondContact O-N 2.93Š|
| 995 | N | 45.6 | Very low | 58.6 | Low | 116 Ų | 116 | 108 Ų | 108 | 62% | 0.62 | 62% | 0.615 | S | S | * | * | trans | -115.4 | 119.1 | 180 | -80.5 | -9.4 | 0 | 0 | 0 | 110.1 | L992 L997 | L992-N995 HydrophobicContact CD2-CB 3.52Å; N995-L997 PolarHBondContact O-N 2.97Å | ||
| 996 | D | 54.3 | Low | 58.7 | Low | 165 Ų | 165 | 111.8 Ų | 111.8 | 88% | 0.882 | 62% | 0.623 | S | S | * | * | trans | -52.6 | 124.7 | 172.9 | -64.2 | -37.1 | 0 | 0 | 0 | 110.5 | S998 | D996-S998 PolarHBondContact O-N 3.33Š| ||
| 997 | L | 59.3 | Low | 59.1 | Low | 85 Ų | 85 | 109.9 Ų | 109.9 | 45% | 0.445 | 61% | 0.612 | S | S | . | * | trans | -74.4 | 114.3 | 172 | -78.6 | 155.2 | 0 | 0 | 0 | 108.6 | V984 T989 L992 N995 | V984-L997 HydrophobicContact CB-CD1 4.44Å; V984-L997 HydrophobicContact CG2-CD1 3.96Å; T989-L997 HydrophobicContact CG2-CD1 3.92Å; L992-L997 HydrophobicContact CD1-CD2 4.14Å; N995-L997 PolarHBondContact O-N 2.97Å | ||
| 998 | S | 63.8 | Low | 59.5 | Low | 123 Ų | 123 | 107.6 Ų | 107.6 | 86% | 0.86 | 60% | 0.599 | S | S | * | * | trans | -88.9 | 127.7 | 172.4 | 52.2 | 0 | 0 | 0 | 0 | 110.1 | D996 | D996-S998 PolarHBondContact O-N 3.33Š| ||
| 999 | C | 64.5 | Low | 60.5 | Low | 81 Ų | 81 | 105.8 Ų | 105.8 | 55% | 0.547 | 59% | 0.586 | S | S | . | * | trans | -120.6 | 155.3 | 170.7 | 63.3 | 0 | 0 | 0 | 0 | 109.8 | A1005 | C999-A1005 HydrophobicContact CB-CB 4.49Š| ||
| 1000 | I | 66.5 | Low | 61.5 | Low | 122 Ų | 122 | 111.7 Ų | 111.7 | 63% | 0.626 | 60% | 0.604 | S | S | * | * | trans | -81 | 122.2 | -180 | -59.1 | 171.5 | 0 | 0 | 0 | 108.8 | R1003 | I1000-R1003 HydrophobicContact CB-CB 4.46Å; I1000-R1003 PolarHBondContact O-N 3.25Å | ||
| 1001 | V | 59.9 | Low | 62.3 | Low | 127 Ų | 127 | 109.9 Ų | 109.9 | 77% | 0.77 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.9 | 142.1 | 176.4 | -172.3 | 0 | 0 | 0 | 0 | 110.4 | R1003 | V1001-R1003 VanDerWaalsContact C-N 3.26Å; V1001-R1003 PolarHBondContact O-N 3.39Å |
| 1002 | C | 62.3 | Low | 63.2 | Low | 135 Ų | 135 | 103.8 Ų | 103.8 | 91% | 0.912 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.8 | 8.8 | -176.3 | -59 | 0 | 0 | 0 | 0 | 116.2 | ||
| 1003 | R | 71.2 | Confident | 64 | Low | 183 Ų | 183 | 102 Ų | 102 | 69% | 0.691 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -107.7 | 137.1 | 169.4 | -156.9 | 179.1 | -170.6 | 177.1 | 2.9 | 110.4 | I1000 V1001 A1005 | I1000-R1003 HydrophobicContact CB-CB 4.46Å; I1000-R1003 PolarHBondContact O-N 3.25Å; V1001-R1003 VanDerWaalsContact C-N 3.26Å; V1001-R1003 PolarHBondContact O-N 3.39Å; R1003-A1005 PolarHBondContact O-N 3.08Å |
| 1004 | P | 68.5 | Low | 64.6 | Low | 97 Ų | 97 | 100.3 Ų | 100.3 | 63% | 0.63 | 54% | 0.54 | S | S | * | . | trans | -61.8 | 119.6 | 172.2 | -17.7 | 29.3 | 0 | 0 | 0 | 109.9 | L1046 | P1004-L1046 HydrophobicContact CB-CD1 4.1Å; P1004-L1046 HydrophobicContact CG-CD1 4.38Å | ||
| 1005 | A | 73.8 | Confident | 64.8 | Low | 44 Ų | 44 | 95 Ų | 95 | 36% | 0.364 | 51% | 0.511 | S | S | . | . | trans | -91.9 | 130.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | V984 D985 C999 R1003 | V984-A1005 HydrophobicContact CG1-CB 4.25Å; D985-A1005 WeakPolarHBondContact OD1-CA 3.27Å; C999-A1005 HydrophobicContact CB-CB 4.49Å; R1003-A1005 PolarHBondContact O-N 3.08Å | ||
| 1006 | R | 75.4 | Confident | 65.1 | Low | 159 Ų | 159 | 94.5 Ų | 94.5 | 60% | 0.6 | 51% | 0.508 | S | S | * | . | trans | -90.5 | 109.2 | 179.6 | -179.1 | 176.9 | 161 | -175.3 | -7.5 | 109.7 | V984 D985 | V984-R1006 CarbonylContact C-O 3.55Å; V984-R1006 WeakPolarHBondContact CA-O 3.44Å; D985-R1006 PolarHBondContact N-O 3.11Å; D985-R1006 PolarHBondContact OD1-N 3.24Å | ||
| 1007 | I | 74.8 | Confident | 64.8 | Low | 63 Ų | 63 | 88.3 Ų | 88.3 | 32% | 0.323 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 121.7 | 171.8 | -51.7 | 177.5 | 0 | 0 | 0 | 108.6 | V982 S983 V984 F1009 F1027 | V982-I1007 HydrophobicContact CG1-CG2 3.91Å; S983-I1007 CarbonylContact O-C 3.56Å; S983-I1007 WeakPolarHBondContact O-CA 3.3Å; V984-I1007 HydrophobicContact CG2-CG1 4.37Å; I1007-F1009 HydrophobicContact CB-CE2 4.45Å; I1007-F1009 HydrophobicContact CG2-CD2 4.47Å; I1007-F1009 HydrophobicContact CG2-CE1 4.24Å; I1007-F1009 HydrophobicContact CG2-CE2 3.65Å; I1007-F1009 HydrophobicContact CG2-CZ 3.49Å; I1007-F1009 VanDerWaalsContact CG2-CZ 3.49Å; I1007-F1027 HydrophobicContact CD1-CE1 4.23Å; I1007-F1027 HydrophobicContact CD1-CZ 4.16Å |
| 1008 | A | 74.2 | Confident | 64.5 | Low | 28 Ų | 28 | 88.5 Ų | 88.5 | 23% | 0.231 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 136.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | V982 S983 | V982-A1008 CarbonylContact C-O 3.57Å; V982-A1008 WeakPolarHBondContact CA-O 3.44Å; S983-A1008 PolarHBondContact N-O 3.24Å; S983-A1008 PolarHBondContact O-N 3.4Å; S983-A1008 WeakPolarHBondContact OG-CB 3.41Å; S983-A1008 PolarHBondContact OG-O 3.49Å |
| 1009 | F | 73.4 | Confident | 64.1 | Low | 64 Ų | 64 | 84.9 Ų | 84.9 | 28% | 0.281 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 121.4 | 177.3 | -60.8 | -82.9 | 0 | 0 | 0 | 108.9 | L980 E981 V982 I1007 F1011 L1025 | L980-F1009 HydrophobicContact CD1-CB 3.96Å; L980-F1009 HydrophobicContact CD1-CD1 3.9Å; L980-F1009 HydrophobicContact CD1-CG 4.41Å; L980-F1009 HydrophobicContact CD2-CD1 4.48Å; E981-F1009 CarbonylContact O-C 3.58Å; E981-F1009 WeakPolarHBondContact O-CA 3.3Å; V982-F1009 HydrophobicContact CB-CE1 4.46Å; V982-F1009 HydrophobicContact CG1-CD1 4.27Å; V982-F1009 HydrophobicContact CG1-CE1 3.88Å; V982-F1009 HydrophobicContact CG1-CZ 4.47Å; V982-F1009 HydrophobicContact CG2-CD1 3.83Å; V982-F1009 HydrophobicContact CG2-CE1 3.82Å; I1007-F1009 HydrophobicContact CB-CE2 4.45Å; I1007-F1009 HydrophobicContact CG2-CD2 4.47Å; I1007-F1009 HydrophobicContact CG2-CE1 4.24Å; I1007-F1009 HydrophobicContact CG2-CE2 3.65Å; I1007-F1009 HydrophobicContact CG2-CZ 3.49Å; I1007-F1009 VanDerWaalsContact CG2-CZ 3.49Å; F1009-F1011 HydrophobicContact CB-CD2 4.36Å; F1009-F1011 HydrophobicContact CB-CE2 3.54Å; F1009-F1011 HydrophobicContact CB-CZ 4Å; F1009-L1025 HydrophobicContact CE1-CD2 4.37Å; F1009-L1025 HydrophobicContact CE2-CD1 4.2Å; F1009-L1025 HydrophobicContact CE2-CD2 3.86Å; F1009-L1025 HydrophobicContact CZ-CD2 3.42Å; F1009-L1025 VanDerWaalsContact CZ-CD2 3.42Å |
| 1010 | R | 72.7 | Confident | 64 | Low | 163 Ų | 163 | 89.8 Ų | 89.8 | 62% | 0.615 | 46% | 0.463 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 117.8 | 172.5 | -166.1 | -176.3 | -136.2 | 130.4 | 2.8 | 108.6 | E981 | E981-R1010 HydrophobicContact CB-CB 4.16Å; E981-R1010 PolarHBondContact N-O 3.25Å; E981-R1010 PolarHBondContact O-N 3.06Å; E981-R1010 VanDerWaalsContact OE2-CD 3.27Å; E981-R1010 WeakPolarHBondContact OE2-CD 3.49Å |
| 1011 | F | 67.9 | Low | 63.8 | Low | 45 Ų | 45 | 85.3 Ų | 85.3 | 20% | 0.197 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 119 | 175.3 | -64.6 | -89.1 | 0 | 0 | 0 | 108.9 | I978 L979 L980 F1009 I1023 I1053 L1055 | I978-F1011 HydrophobicContact CG2-CD1 4.15Å; L979-F1011 WeakPolarHBondContact O-CA 3.36Å; L980-F1011 HydrophobicContact CD1-CD1 3.9Å; L980-F1011 HydrophobicContact CD1-CD2 4.46Å; L980-F1011 HydrophobicContact CD1-CE1 3.42Å; L980-F1011 VanDerWaalsContact CD1-CE1 3.42Å; L980-F1011 HydrophobicContact CD1-CE2 4.03Å; L980-F1011 HydrophobicContact CD1-CG 4.38Å; L980-F1011 HydrophobicContact CD1-CZ 3.44Å; L980-F1011 VanDerWaalsContact CD1-CZ 3.44Å; L980-F1011 HydrophobicContact CG-CE1 4.4Å; F1009-F1011 HydrophobicContact CB-CD2 4.36Å; F1009-F1011 HydrophobicContact CB-CE2 3.54Å; F1009-F1011 HydrophobicContact CB-CZ 4Å; F1011-I1023 HydrophobicContact CE1-CD1 4.19Å; F1011-I1023 HydrophobicContact CE2-CD1 3.48Å; F1011-I1023 VanDerWaalsContact CE2-CD1 3.48Å; F1011-I1023 HydrophobicContact CZ-CD1 3.18Å; F1011-I1023 HydrophobicContact CZ-CG1 3.85Å; F1011-I1053 HydrophobicContact CD2-CD1 4.39Å; F1011-I1053 HydrophobicContact CE2-CD1 4.12Å; F1011-L1055 HydrophobicContact CB-CD1 4Å; F1011-L1055 HydrophobicContact CB-CD2 4.32Å; F1011-L1055 HydrophobicContact CD1-CD1 4.34Å; F1011-L1055 HydrophobicContact CG-CD1 4.25Å |
| 1012 | A | 66 | Low | 64.2 | Low | 45 Ų | 45 | 82.9 Ų | 82.9 | 37% | 0.372 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 116 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | L979 | L979-A1012 HydrophobicContact CB-CB 4.02Å; L979-A1012 PolarHBondContact N-O 3.44Å; L979-A1012 PolarHBondContact O-N 3.06Å |
| 1013 | L | 57.8 | Low | 64.4 | Low | 28 Ų | 28 | 77.6 Ų | 77.6 | 15% | 0.147 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 119 | 168.6 | -150 | 82.1 | 0 | 0 | 0 | 106.9 | I978 E1015 C1017 I1019 L1055 V1057 | I978-L1013 HydrophobicContact CG1-CD1 4Å; L1013-E1015 WeakPolarHBondContact CD2-O 3.48Å; L1013-E1015 PolarHBondContact O-N 3.3Å; L1013-C1017 WeakPolarHBondContact CD2-O 3.39Å; L1013-I1019 HydrophobicContact CD1-CD1 4.16Å; L1013-L1055 HydrophobicContact CD1-CB 4.25Å; L1013-L1055 HydrophobicContact CD1-CD1 4.4Å; L1013-L1055 HydrophobicContact CD2-CB 4.39Å; L1013-V1057 HydrophobicContact CD2-CG2 4.24Å |
| 1014 | L | 58.5 | Low | 64.5 | Low | 78 Ų | 78 | 73.5 Ų | 73.5 | 41% | 0.408 | 38% | 0.381 | S | S | . | . | trans | -77.9 | -11.3 | -180 | -79.7 | 156.7 | 0 | 0 | 0 | 112.4 | W863 V975 | W863-L1014 HydrophobicContact CH2-CD1 4.16Å; W863-L1014 HydrophobicContact CH2-CD2 4.38Å; W863-L1014 HydrophobicContact CZ3-CD1 3.81Å; V975-L1014 HydrophobicContact CG1-CD1 3.84Å | ||
| 1015 | E | 51.4 | Low | 64.6 | Low | 45 Ų | 45 | 71 Ų | 71 | 21% | 0.21 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -140.1 | 165.3 | -166 | -80.6 | 171.5 | -148.8 | 0 | 0 | 115.6 | W909 L1013 C1017 | W909-E1015 VanDerWaalsContact CB-OE1 3.22Å; W909-E1015 WeakPolarHBondContact CB-OE1 3.39Å; L1013-E1015 WeakPolarHBondContact CD2-O 3.48Å; L1013-E1015 PolarHBondContact O-N 3.3Å; E1015-C1017 VanDerWaalsContact CB-SG 3.59Å; E1015-C1017 PolarHBondContact O-N 2.78Å |
| 1016 | N | 51.7 | Low | 64.5 | Low | 105 Ų | 105 | 77.1 Ų | 77.1 | 56% | 0.561 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -76.6 | 49.4 | 175.8 | -71.4 | -26.7 | 0 | 0 | 0 | 113 | L1059 | N1016-L1059 WeakPolarHBondContact ND2-CD1 3.39Å; N1016-L1059 WeakPolarHBondContact OD1-CD1 3.45Å |
| 1017 | C | 46.8 | Very low | 64.4 | Low | 35 Ų | 35 | 72.5 Ų | 72.5 | 24% | 0.236 | 36% | 0.36 | C | S | . | . | trans | -107.8 | 139.8 | 175.5 | 33.5 | 0 | 0 | 0 | 0 | 110.1 | L1013 E1015 I1019 | L1013-C1017 WeakPolarHBondContact CD2-O 3.39Å; E1015-C1017 VanDerWaalsContact CB-SG 3.59Å; E1015-C1017 PolarHBondContact O-N 2.78Å; C1017-I1019 HydrophobicContact CB-CD1 4.46Å; C1017-I1019 HydrophobicContact CB-CG1 4.19Å | ||
| 1018 | S | 54.4 | Low | 64.3 | Low | 89 Ų | 89 | 74.7 Ų | 74.7 | 62% | 0.622 | 37% | 0.368 | S | S | * | . | trans | -90.4 | 106.9 | 168.1 | 72.4 | 0 | 0 | 0 | 0 | 108.3 | L1055 | S1018-L1055 CarbonylContact C-O 3.5Å; S1018-L1055 WeakPolarHBondContact CA-O 3.3Å | ||
| 1019 | I | 54.3 | Low | 64.3 | Low | 46 Ų | 46 | 77.5 Ų | 77.5 | 24% | 0.236 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 126.1 | 179.3 | -56 | -177.4 | 0 | 0 | 0 | 108.9 | I978 L1013 C1017 V1021 L1055 | I978-I1019 HydrophobicContact CD1-CD1 3.81Å; I978-I1019 HydrophobicContact CD1-CG2 4.13Å; I978-I1019 HydrophobicContact CG1-CD1 3.98Å; L1013-I1019 HydrophobicContact CD1-CD1 4.16Å; C1017-I1019 HydrophobicContact CB-CD1 4.46Å; C1017-I1019 HydrophobicContact CB-CG1 4.19Å; I1019-V1021 HydrophobicContact CB-CG2 4.37Å; I1019-V1021 HydrophobicContact CG2-CG2 3.64Å; I1019-L1055 PolarHBondContact N-O 3.48Å; I1019-L1055 PolarHBondContact O-N 3.07Å |
| 1020 | R | 62.8 | Low | 64.3 | Low | 185 Ų | 185 | 79.3 Ų | 79.3 | 70% | 0.698 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 103.2 | 168.9 | -172.8 | 179.9 | 176.5 | -173.1 | -0.8 | 108.2 | V1052 I1053 L1054 | R1020-V1052 HydrophobicContact CG-CG1 3.83Å; R1020-V1052 VanDerWaalsContact NE-CG1 3.3Å; R1020-I1053 CarbonylContact C-O 3.54Å; R1020-I1053 WeakPolarHBondContact CA-O 3.04Å; R1020-L1054 HydrophobicContact CB-CD1 4Å |
| 1021 | V | 61.3 | Low | 64.4 | Low | 27 Ų | 27 | 75.3 Ų | 75.3 | 16% | 0.164 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 128.4 | 178.8 | -176.5 | 0 | 0 | 0 | 0 | 108.8 | I978 I1019 I1023 V1052 I1053 L1055 | I978-V1021 HydrophobicContact CD1-CG2 4.12Å; I1019-V1021 HydrophobicContact CB-CG2 4.37Å; I1019-V1021 HydrophobicContact CG2-CG2 3.64Å; V1021-I1023 HydrophobicContact CG1-CG1 4.05Å; V1021-V1052 CarbonylContact O-C 3.42Å; V1021-V1052 WeakPolarHBondContact O-CA 3.48Å; V1021-I1053 PolarHBondContact N-O 3.31Å; V1021-I1053 PolarHBondContact O-N 3.36Å; V1021-L1055 HydrophobicContact CG2-CD1 4.22Å |
| 1022 | T | 68.5 | Low | 64.3 | Low | 76 Ų | 76 | 82.1 Ų | 82.1 | 47% | 0.466 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 115.8 | 168.7 | -54.5 | 0 | 0 | 0 | 0 | 108.4 | Y1051 V1052 | T1022-Y1051 CarbonylContact C-O 3.6Å; T1022-Y1051 VanDerWaalsContact CA-O 3.3Å; T1022-Y1051 WeakPolarHBondContact CA-O 3.28Å; T1022-V1052 HydrophobicContact CG2-CG2 4.2Å |
| 1023 | I | 66.7 | Low | 64.3 | Low | 25 Ų | 25 | 85.4 Ų | 85.4 | 13% | 0.128 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 120.9 | 177.3 | -54.1 | 158.9 | 0 | 0 | 0 | 107.3 | F1011 V1021 A1050 Y1051 I1053 | F1011-I1023 HydrophobicContact CE1-CD1 4.19Å; F1011-I1023 HydrophobicContact CE2-CD1 3.48Å; F1011-I1023 VanDerWaalsContact CE2-CD1 3.48Å; F1011-I1023 HydrophobicContact CZ-CD1 3.18Å; F1011-I1023 HydrophobicContact CZ-CG1 3.85Å; V1021-I1023 HydrophobicContact CG1-CG1 4.05Å; I1023-A1050 VanDerWaalsContact O-CA 3.26Å; I1023-A1050 WeakPolarHBondContact O-CA 3.45Å; I1023-Y1051 PolarHBondContact N-O 3.13Å; I1023-Y1051 PolarHBondContact O-N 3.21Å; I1023-I1053 HydrophobicContact CD1-CD1 3.61Å; I1023-I1053 HydrophobicContact CD1-CG1 4.31Å |
| 1024 | N | 72.9 | Confident | 64.5 | Low | 96 Ų | 96 | 87.9 Ų | 87.9 | 51% | 0.513 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 123.2 | 172.8 | -68.5 | -36 | 0 | 0 | 0 | 108.5 | A1050 | N1024-A1050 WeakPolarHBondContact OD1-CB 3.49Å |
| 1025 | L | 71.6 | Confident | 64.8 | Low | 45 Ų | 45 | 86.5 Ų | 86.5 | 24% | 0.236 | 46% | 0.455 | C | S | . | . | trans | -91.4 | 130.8 | 176.3 | -65 | 170.3 | 0 | 0 | 0 | 109.5 | F1009 F1027 F1045 | F1009-L1025 HydrophobicContact CE1-CD2 4.37Å; F1009-L1025 HydrophobicContact CE2-CD1 4.2Å; F1009-L1025 HydrophobicContact CE2-CD2 3.86Å; F1009-L1025 HydrophobicContact CZ-CD2 3.42Å; F1009-L1025 VanDerWaalsContact CZ-CD2 3.42Å; L1025-F1027 HydrophobicContact CB-CE2 4.49Å; L1025-F1045 HydrophobicContact CB-CE1 3.77Å; L1025-F1045 HydrophobicContact CB-CZ 4.16Å; L1025-F1045 HydrophobicContact CD1-CE1 4.17Å | ||
| 1026 | R | 72.1 | Confident | 65.8 | Low | 172 Ų | 172 | 88.7 Ų | 88.7 | 65% | 0.649 | 47% | 0.471 | S | S | * | . | trans | -132.5 | 134 | 174.1 | -67.6 | -176.1 | 178.7 | 163.6 | -0.5 | 108.6 | F1028 | R1026-F1028 HydrophobicContact CB-CE2 3.56Å; R1026-F1028 HydrophobicContact CB-CZ 3.55Å; R1026-F1028 HydrophobicContact CG-CZ 4.41Å | ||
| 1027 | F | 73.4 | Confident | 66.8 | Low | 62 Ų | 62 | 88.4 Ų | 88.4 | 27% | 0.272 | 47% | 0.465 | S | S | . | . | trans | -107.3 | 132.6 | -179.1 | -67.9 | -84.8 | 0 | 0 | 0 | 110.2 | I1007 L1025 N1038 V1039 N1040 V1043 F1045 | I1007-F1027 HydrophobicContact CD1-CE1 4.23Å; I1007-F1027 HydrophobicContact CD1-CZ 4.16Å; L1025-F1027 HydrophobicContact CB-CE2 4.49Å; F1027-N1038 PolarHBondContact O-OD1 3.02Å; F1027-V1039 HydrophobicContact CB-CG2 4.13Å; F1027-V1039 PolarHBondContact O-N 3.4Å; F1027-V1039 VanDerWaalsContact O-N 3.11Å; F1027-N1040 PolarHBondContact N-OD1 3.3Å; F1027-V1043 HydrophobicContact CB-CG2 4.16Å; F1027-V1043 HydrophobicContact CD2-CB 4.35Å; F1027-V1043 HydrophobicContact CD2-CG1 3.99Å; F1027-V1043 HydrophobicContact CE2-CG1 4.01Å; F1027-V1043 HydrophobicContact CG-CG1 4.37Å; F1027-V1043 HydrophobicContact CG-CG2 4.23Å; F1027-V1043 HydrophobicContact CZ-CG1 4.44Å; F1027-F1045 HydrophobicContact CD2-CE1 4.26Å; F1027-F1045 HydrophobicContact CD2-CE2 4.24Å; F1027-F1045 AromaticContact CD2-CZ 3.65Å; F1027-F1045 HydrophobicContact CD2-CZ 3.65Å; F1027-F1045 HydrophobicContact CE2-CD1 4.39Å; F1027-F1045 AromaticContact CE2-CE1 3.48Å; F1027-F1045 HydrophobicContact CE2-CE1 3.48Å; F1027-F1045 VanDerWaalsContact CE2-CE1 3.48Å; F1027-F1045 HydrophobicContact CE2-CE2 4.16Å; F1027-F1045 AromaticContact CE2-CZ 3.34Å; F1027-F1045 HydrophobicContact CE2-CZ 3.34Å; F1027-F1045 HydrophobicContact CZ-CE1 4.41Å | ||
| 1028 | F | 71.6 | Confident | 68.1 | Low | 110 Ų | 110 | 91 Ų | 91 | 48% | 0.482 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 139.5 | 178.5 | -49.4 | -86.1 | 0 | 0 | 0 | 109 | R1026 K1037 N1038 | R1026-F1028 HydrophobicContact CB-CE2 3.56Å; R1026-F1028 HydrophobicContact CB-CZ 3.55Å; R1026-F1028 HydrophobicContact CG-CZ 4.41Å; F1028-K1037 CarbonylContact C-O 3.56Å; F1028-K1037 VanDerWaalsContact CA-O 3.32Å; F1028-K1037 WeakPolarHBondContact CA-O 3.38Å; F1028-N1038 HydrophobicContact CD1-CB 4.37Å |
| 1029 | L | 75.5 | Confident | 69 | Low | 86 Ų | 86 | 87.5 Ų | 87.5 | 45% | 0.45 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 113.8 | 167.3 | -180 | 70.3 | 0 | 0 | 0 | 106.9 | L1031 T1036 K1037 V1039 | L1029-L1031 HydrophobicContact CD2-CD2 3.89Å; L1029-L1031 HydrophobicContact CG-CD2 4.26Å; L1029-L1031 PolarHBondContact O-N 3.01Å; L1029-T1036 CarbonylContact O-C 3.53Å; L1029-T1036 WeakPolarHBondContact O-CA 3.2Å; L1029-K1037 HydrophobicContact CB-CB 4.42Å; L1029-K1037 PolarHBondContact N-O 3.45Å; L1029-K1037 PolarHBondContact O-N 2.95Å; L1029-V1039 HydrophobicContact CB-CG1 3.94Å; L1029-V1039 HydrophobicContact CB-CG2 4.15Å |
| 1030 | D | 72.3 | Confident | 69.6 | Low | 102 Ų | 102 | 88 Ų | 88 | 55% | 0.545 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 119.1 | 169 | -169.2 | -17.3 | 0 | 0 | 0 | 108.8 | Q1032 T1036 | D1030-Q1032 PolarHBondContact O-N 3.27Å; D1030-Q1032 WeakPolarHBondContact OD1-CA 3.49Å; D1030-Q1032 PolarHBondContact OD1-N 3.11Å; D1030-T1036 HydrophobicContact CB-CG2 4.41Å |
| 1031 | L | 75 | Confident | 69.9 | Low | 80 Ų | 80 | 88.7 Ų | 88.7 | 42% | 0.419 | 47% | 0.466 | S | S | . | . | trans | -83.4 | 9.6 | 180 | -62.4 | 172.6 | 0 | 0 | 0 | 112.2 | L1029 N1033 S1035 K1037 | L1029-L1031 HydrophobicContact CD2-CD2 3.89Å; L1029-L1031 HydrophobicContact CG-CD2 4.26Å; L1029-L1031 PolarHBondContact O-N 3.01Å; L1031-N1033 WeakPolarHBondContact CB-OD1 3.39Å; L1031-N1033 PolarHBondContact O-N 3.22Å; L1031-S1035 WeakPolarHBondContact CB-O 3.13Å; L1031-S1035 WeakPolarHBondContact CD1-OG 3.47Å; L1031-S1035 PolarHBondContact N-O 3.18Å; L1031-K1037 HydrophobicContact CD1-CB 4.28Å; L1031-K1037 HydrophobicContact CG-CB 4.49Å | ||
| 1032 | Q | 66.2 | Low | 70.3 | Confident | 188 Ų | 188 | 93.5 Ų | 93.5 | 88% | 0.879 | 49% | 0.486 | S | S | * | . | S | Bend | trans | 57.5 | 7.6 | -179.5 | -64.5 | -175.6 | -15.6 | 0 | 0 | 115.1 | D1030 | D1030-Q1032 PolarHBondContact O-N 3.27Å; D1030-Q1032 WeakPolarHBondContact OD1-CA 3.49Å; D1030-Q1032 PolarHBondContact OD1-N 3.11Å |
| 1033 | N | 66.6 | Low | 70.3 | Confident | 113 Ų | 113 | 92.4 Ų | 92.4 | 60% | 0.604 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -108.3 | 15 | 177.2 | 64.3 | 1.5 | 0 | 0 | 0 | 111.9 | L1031 S1035 | L1031-N1033 WeakPolarHBondContact CB-OD1 3.39Å; L1031-N1033 PolarHBondContact O-N 3.22Å; N1033-S1035 VanDerWaalsContact C-N 3.26Å; N1033-S1035 PolarHBondContact ND2-OG 2.81Å; N1033-S1035 PolarHBondContact O-N 2.92Å; N1033-S1035 WeakPolarHBondContact OD1-CA 3.46Å; N1033-S1035 VanDerWaalsContact OD1-CB 3.31Å; N1033-S1035 WeakPolarHBondContact OD1-CB 3.14Å; N1033-S1035 PolarHBondContact OD1-N 3.4Å; N1033-S1035 PolarHBondContact OD1-O 3.38Å; N1033-S1035 PolarHBondContact OD1-OG 3Å |
| 1034 | G | 60.3 | Low | 70.4 | Confident | 80 Ų | 80 | 98.5 Ų | 98.5 | 83% | 0.825 | 51% | 0.511 | S | S | * | . | S | Bend | trans | 79.1 | 2.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 1035 | S | 66.1 | Low | 70 | Confident | 50 Ų | 50 | 96.4 Ų | 96.4 | 35% | 0.35 | 50% | 0.497 | S | S | . | . | trans | -108.8 | 140.7 | 172.8 | 76.4 | 0 | 0 | 0 | 0 | 111.4 | L1031 N1033 | L1031-S1035 WeakPolarHBondContact CB-O 3.13Å; L1031-S1035 WeakPolarHBondContact CD1-OG 3.47Å; L1031-S1035 PolarHBondContact N-O 3.18Å; N1033-S1035 VanDerWaalsContact C-N 3.26Å; N1033-S1035 PolarHBondContact ND2-OG 2.81Å; N1033-S1035 PolarHBondContact O-N 2.92Å; N1033-S1035 WeakPolarHBondContact OD1-CA 3.46Å; N1033-S1035 VanDerWaalsContact OD1-CB 3.31Å; N1033-S1035 WeakPolarHBondContact OD1-CB 3.14Å; N1033-S1035 PolarHBondContact OD1-N 3.4Å; N1033-S1035 PolarHBondContact OD1-O 3.38Å; N1033-S1035 PolarHBondContact OD1-OG 3Å | ||
| 1036 | T | 71.2 | Confident | 69.8 | Low | 91 Ų | 91 | 101.6 Ų | 101.6 | 56% | 0.558 | 52% | 0.524 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 131.9 | 178.1 | 48.5 | 0 | 0 | 0 | 0 | 109.7 | L1029 D1030 | L1029-T1036 CarbonylContact O-C 3.53Å; L1029-T1036 WeakPolarHBondContact O-CA 3.2Å; D1030-T1036 HydrophobicContact CB-CG2 4.41Å |
| 1037 | K | 74 | Confident | 69.5 | Low | 99 Ų | 99 | 95.3 Ų | 95.3 | 43% | 0.43 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 128.6 | 173.6 | -173.2 | -166.9 | 174.8 | -155.1 | 0 | 108.7 | F1028 L1029 L1031 V1039 E1042 | F1028-K1037 CarbonylContact C-O 3.56Å; F1028-K1037 VanDerWaalsContact CA-O 3.32Å; F1028-K1037 WeakPolarHBondContact CA-O 3.38Å; L1029-K1037 HydrophobicContact CB-CB 4.42Å; L1029-K1037 PolarHBondContact N-O 3.45Å; L1029-K1037 PolarHBondContact O-N 2.95Å; L1031-K1037 HydrophobicContact CD1-CB 4.28Å; L1031-K1037 HydrophobicContact CG-CB 4.49Å; K1037-V1039 PolarHBondContact O-N 3.17Å; K1037-E1042 IonicContact NZ-OE1 2.63Å; K1037-E1042 PolarHBondContact NZ-OE1 3.3Å |
| 1038 | N | 73.9 | Confident | 68.9 | Low | 89 Ų | 89 | 95.8 Ų | 95.8 | 48% | 0.476 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 123 | 172.3 | -170.8 | -14 | 0 | 0 | 0 | 109.4 | F1027 F1028 N1040 | F1027-N1038 PolarHBondContact O-OD1 3.02Å; F1028-N1038 HydrophobicContact CD1-CB 4.37Å; N1038-N1040 VanDerWaalsContact OD1-CB 3.31Å; N1038-N1040 WeakPolarHBondContact OD1-CB 2.97Å; N1038-N1040 PolarHBondContact OD1-N 2.92Å; N1038-N1040 PolarHBondContact OD1-ND2 3.21Å; N1038-N1040 PolarHBondContact OD1-OD1 3.38Å |
| 1039 | V | 73.9 | Confident | 68.3 | Low | 15 Ų | 15 | 97 Ų | 97 | 9% | 0.091 | 53% | 0.529 | C | S | . | . | trans | -113.9 | 20.2 | -177.8 | -83.5 | 0 | 0 | 0 | 0 | 111.9 | F1027 L1029 K1037 E1041 E1042 V1043 | F1027-V1039 HydrophobicContact CB-CG2 4.13Å; F1027-V1039 PolarHBondContact O-N 3.4Å; F1027-V1039 VanDerWaalsContact O-N 3.11Å; L1029-V1039 HydrophobicContact CB-CG1 3.94Å; L1029-V1039 HydrophobicContact CB-CG2 4.15Å; K1037-V1039 PolarHBondContact O-N 3.17Å; V1039-E1041 PolarHBondContact O-N 2.96Å; V1039-E1042 HydrophobicContact CB-CB 4.27Å; V1039-E1042 HydrophobicContact CG1-CB 4.46Å; V1039-E1042 HydrophobicContact CG1-CG 4.43Å; V1039-E1042 WeakPolarHBondContact CG1-OE2 3.03Å; V1039-E1042 PolarHBondContact O-N 3.29Å; V1039-V1043 PolarHBondContact O-N 3.04Å | ||
| 1040 | N | 66.4 | Low | 67.3 | Low | 56 Ų | 56 | 95.2 Ų | 95.2 | 30% | 0.299 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -27.1 | 177.8 | -76.6 | -6.1 | 0 | 0 | 0 | 113.9 | F1027 N1038 | F1027-N1040 PolarHBondContact N-OD1 3.3Å; N1038-N1040 VanDerWaalsContact OD1-CB 3.31Å; N1038-N1040 WeakPolarHBondContact OD1-CB 2.97Å; N1038-N1040 PolarHBondContact OD1-N 2.92Å; N1038-N1040 PolarHBondContact OD1-ND2 3.21Å; N1038-N1040 PolarHBondContact OD1-OD1 3.38Å |
| 1041 | E | 68.9 | Low | 66.5 | Low | 201 Ų | 201 | 95.3 Ų | 95.3 | 94% | 0.939 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -17.9 | 175.7 | -65.4 | -173.5 | -178.4 | 0 | 0 | 113.5 | V1039 | V1039-E1041 PolarHBondContact O-N 2.96Š|
| 1042 | E | 69.6 | Low | 65.4 | Low | 128 Ų | 128 | 95.4 Ų | 95.4 | 60% | 0.598 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | -8.1 | -179.6 | -61.8 | 176 | -158 | 0 | 0 | 112 | K1037 V1039 | K1037-E1042 IonicContact NZ-OE1 2.63Å; K1037-E1042 PolarHBondContact NZ-OE1 3.3Å; V1039-E1042 HydrophobicContact CB-CB 4.27Å; V1039-E1042 HydrophobicContact CG1-CB 4.46Å; V1039-E1042 HydrophobicContact CG1-CG 4.43Å; V1039-E1042 WeakPolarHBondContact CG1-OE2 3.03Å; V1039-E1042 PolarHBondContact O-N 3.29Å |
| 1043 | V | 69.2 | Low | 65 | Low | 52 Ų | 52 | 89.1 Ų | 89.1 | 32% | 0.315 | 50% | 0.496 | S | S | . | . | trans | -113.7 | 127.8 | -178.1 | -178.4 | 0 | 0 | 0 | 0 | 110.5 | F1027 V1039 | F1027-V1043 HydrophobicContact CB-CG2 4.16Å; F1027-V1043 HydrophobicContact CD2-CB 4.35Å; F1027-V1043 HydrophobicContact CD2-CG1 3.99Å; F1027-V1043 HydrophobicContact CE2-CG1 4.01Å; F1027-V1043 HydrophobicContact CG-CG1 4.37Å; F1027-V1043 HydrophobicContact CG-CG2 4.23Å; F1027-V1043 HydrophobicContact CZ-CG1 4.44Å; V1039-V1043 PolarHBondContact O-N 3.04Å | ||
| 1044 | I | 68.1 | Low | 64.1 | Low | 154 Ų | 154 | 89.3 Ų | 89.3 | 79% | 0.79 | 50% | 0.496 | S | S | * | . | trans | -96.9 | 119.9 | 176.6 | -59.9 | 172.1 | 0 | 0 | 0 | 109.6 | ||||
| 1045 | F | 64.9 | Low | 63.4 | Low | 51 Ų | 51 | 87.2 Ų | 87.2 | 22% | 0.224 | 47% | 0.466 | C | S | . | . | trans | -79.9 | 123.6 | 174.4 | -73.5 | -92.5 | 0 | 0 | 0 | 111.7 | L1025 F1027 G1047 E1049 | L1025-F1045 HydrophobicContact CB-CE1 3.77Å; L1025-F1045 HydrophobicContact CB-CZ 4.16Å; L1025-F1045 HydrophobicContact CD1-CE1 4.17Å; F1027-F1045 HydrophobicContact CD2-CE1 4.26Å; F1027-F1045 HydrophobicContact CD2-CE2 4.24Å; F1027-F1045 AromaticContact CD2-CZ 3.65Å; F1027-F1045 HydrophobicContact CD2-CZ 3.65Å; F1027-F1045 HydrophobicContact CE2-CD1 4.39Å; F1027-F1045 AromaticContact CE2-CE1 3.48Å; F1027-F1045 HydrophobicContact CE2-CE1 3.48Å; F1027-F1045 VanDerWaalsContact CE2-CE1 3.48Å; F1027-F1045 HydrophobicContact CE2-CE2 4.16Å; F1027-F1045 AromaticContact CE2-CZ 3.34Å; F1027-F1045 HydrophobicContact CE2-CZ 3.34Å; F1027-F1045 HydrophobicContact CZ-CE1 4.41Å; F1045-G1047 PolarHBondContact O-N 2.89Å; F1045-E1049 HydrophobicContact CD2-CG 4.15Å; F1045-E1049 HydrophobicContact CE2-CG 4.43Å; F1045-E1049 HydrophobicContact CG-CG 4.28Å | ||
| 1046 | L | 66 | Low | 62.4 | Low | 155 Ų | 155 | 88 Ų | 88 | 81% | 0.812 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -94.3 | 72.9 | 164.7 | -64.6 | 173.4 | 0 | 0 | 0 | 109 | P1004 | P1004-L1046 HydrophobicContact CB-CD1 4.1Å; P1004-L1046 HydrophobicContact CG-CD1 4.38Å |
| 1047 | G | 66 | Low | 61 | Low | 40 Ų | 40 | 87.1 Ų | 87.1 | 41% | 0.412 | 47% | 0.47 | S | S | . | . | S | Bend | trans | 149 | 173.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | F1045 | F1045-G1047 PolarHBondContact O-N 2.89Š|
| 1048 | P | 62.2 | Low | 59.2 | Low | 72 Ų | 72 | 86.3 Ų | 86.3 | 47% | 0.468 | 48% | 0.481 | S | S | . | . | trans | -64.1 | 136.7 | 176.6 | 23.6 | -31.7 | 0 | 0 | 0 | 111.9 | A1050 Y1051 | P1048-A1050 PolarHBondContact O-N 2.98Å; P1048-Y1051 WeakPolarHBondContact CD-OH 3.38Å; P1048-Y1051 HydrophobicContact CG-CD1 4.13Å; P1048-Y1051 HydrophobicContact CG-CE1 3.5Å; P1048-Y1051 HydrophobicContact CG-CE2 3.96Å; P1048-Y1051 VanDerWaalsContact CG-CZ 3.41Å; P1048-Y1051 VanDerWaalsContact O-CE2 3.27Å; P1048-Y1051 WeakPolarHBondContact O-CE2 3.46Å | ||
| 1049 | E | 58 | Low | 57.2 | Low | 135 Ų | 135 | 88.1 Ų | 88.1 | 63% | 0.631 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -67.3 | -22.1 | 179.5 | -64.5 | 179.5 | 169.6 | 0 | 0 | 113.2 | F1045 | F1045-E1049 HydrophobicContact CD2-CG 4.15Å; F1045-E1049 HydrophobicContact CE2-CG 4.43Å; F1045-E1049 HydrophobicContact CG-CG 4.28Å |
| 1050 | A | 54.4 | Low | 54.8 | Low | 48 Ų | 48 | 98 Ų | 98 | 40% | 0.397 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 130.6 | 179 | 0 | 0 | 0 | 0 | 0 | 111.4 | I1023 N1024 P1048 | I1023-A1050 VanDerWaalsContact O-CA 3.26Å; I1023-A1050 WeakPolarHBondContact O-CA 3.45Å; N1024-A1050 WeakPolarHBondContact OD1-CB 3.49Å; P1048-A1050 PolarHBondContact O-N 2.98Å |
| 1051 | Y | 56.4 | Low | 53.1 | Low | 104 Ų | 104 | 100.6 Ų | 100.6 | 41% | 0.408 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 126.4 | 172.7 | -68.3 | -94.9 | 0 | 0 | 0 | 109.8 | T1022 I1023 P1048 | T1022-Y1051 CarbonylContact C-O 3.6Å; T1022-Y1051 VanDerWaalsContact CA-O 3.3Å; T1022-Y1051 WeakPolarHBondContact CA-O 3.28Å; I1023-Y1051 PolarHBondContact N-O 3.13Å; I1023-Y1051 PolarHBondContact O-N 3.21Å; P1048-Y1051 WeakPolarHBondContact CD-OH 3.38Å; P1048-Y1051 HydrophobicContact CG-CD1 4.13Å; P1048-Y1051 HydrophobicContact CG-CE1 3.5Å; P1048-Y1051 HydrophobicContact CG-CE2 3.96Å; P1048-Y1051 VanDerWaalsContact CG-CZ 3.41Å; P1048-Y1051 VanDerWaalsContact O-CE2 3.27Å; P1048-Y1051 WeakPolarHBondContact O-CE2 3.46Å |
| 1052 | V | 51.2 | Low | 51 | Low | 83 Ų | 83 | 97.5 Ų | 97.5 | 50% | 0.503 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 106.8 | 167.6 | -179.1 | 0 | 0 | 0 | 0 | 107.5 | R1020 V1021 T1022 | R1020-V1052 HydrophobicContact CG-CG1 3.83Å; R1020-V1052 VanDerWaalsContact NE-CG1 3.3Å; V1021-V1052 CarbonylContact O-C 3.42Å; V1021-V1052 WeakPolarHBondContact O-CA 3.48Å; T1022-V1052 HydrophobicContact CG2-CG2 4.2Å |
| 1053 | I | 57.7 | Low | 49.1 | Very low | 55 Ų | 55 | 96.1 Ų | 96.1 | 28% | 0.282 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 124 | 179.3 | -51 | -177.6 | 0 | 0 | 0 | 108.3 | F1011 R1020 V1021 I1023 L1055 | F1011-I1053 HydrophobicContact CD2-CD1 4.39Å; F1011-I1053 HydrophobicContact CE2-CD1 4.12Å; R1020-I1053 CarbonylContact C-O 3.54Å; R1020-I1053 WeakPolarHBondContact CA-O 3.04Å; V1021-I1053 PolarHBondContact N-O 3.31Å; V1021-I1053 PolarHBondContact O-N 3.36Å; I1023-I1053 HydrophobicContact CD1-CD1 3.61Å; I1023-I1053 HydrophobicContact CD1-CG1 4.31Å; I1053-L1055 HydrophobicContact CG2-CD1 4.45Å; I1053-L1055 HydrophobicContact CG2-CG 3.96Å |
| 1054 | L | 46.8 | Very low | 47.3 | Very low | 117 Ų | 117 | 103.7 Ų | 103.7 | 61% | 0.613 | 57% | 0.574 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -94.1 | 100 | 166 | -170.9 | 76.8 | 0 | 0 | 0 | 107.7 | R1020 | R1020-L1054 HydrophobicContact CB-CD1 4Å |
| 1055 | L | 46.8 | Very low | 45.3 | Very low | 37 Ų | 37 | 103.9 Ų | 103.9 | 19% | 0.194 | 58% | 0.576 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.1 | 116 | 172.5 | -77.7 | 149.6 | 0 | 0 | 0 | 107.6 | F1011 L1013 S1018 I1019 V1021 I1053 | F1011-L1055 HydrophobicContact CB-CD1 4Å; F1011-L1055 HydrophobicContact CB-CD2 4.32Å; F1011-L1055 HydrophobicContact CD1-CD1 4.34Å; F1011-L1055 HydrophobicContact CG-CD1 4.25Å; L1013-L1055 HydrophobicContact CD1-CB 4.25Å; L1013-L1055 HydrophobicContact CD1-CD1 4.4Å; L1013-L1055 HydrophobicContact CD2-CB 4.39Å; S1018-L1055 CarbonylContact C-O 3.5Å; S1018-L1055 WeakPolarHBondContact CA-O 3.3Å; I1019-L1055 PolarHBondContact N-O 3.48Å; I1019-L1055 PolarHBondContact O-N 3.07Å; V1021-L1055 HydrophobicContact CG2-CD1 4.22Å; I1053-L1055 HydrophobicContact CG2-CD1 4.45Å; I1053-L1055 HydrophobicContact CG2-CG 3.96Å |
| 1056 | A | 45.4 | Very low | 43.8 | Very low | 65 Ų | 65 | 108.4 Ų | 108.4 | 54% | 0.537 | 60% | 0.602 | S | S | . | * | trans | -137 | 120.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1057 | V | 42.1 | Very low | 42.1 | Very low | 74 Ų | 74 | 109.5 Ų | 109.5 | 45% | 0.448 | 60% | 0.603 | S | S | . | * | trans | -89.5 | 112.8 | 172.3 | -179.8 | 0 | 0 | 0 | 0 | 108.2 | L1013 | L1013-V1057 HydrophobicContact CD2-CG2 4.24Š| ||
| 1058 | A | 34.8 | Very low | 40.6 | Very low | 81 Ų | 81 | 115.5 Ų | 115.5 | 67% | 0.669 | 62% | 0.621 | S | S | * | * | trans | -100.1 | 101.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | W1060 | A1058-W1060 PolarHBondContact O-N 3.27Š| ||
| 1059 | L | 31.6 | Very low | 39.2 | Very low | 127 Ų | 127 | 118.6 Ų | 118.6 | 67% | 0.665 | 63% | 0.633 | S | S | * | * | trans | -72.3 | 118.1 | 169.3 | -92.3 | 151.3 | 0 | 0 | 0 | 109.8 | N1016 P1061 | N1016-L1059 WeakPolarHBondContact ND2-CD1 3.39Å; N1016-L1059 WeakPolarHBondContact OD1-CD1 3.45Å; L1059-P1061 WeakPolarHBondContact O-CD 3.37Å | ||
| 1060 | W | 24.2 | Very low | 37.8 | Very low | 224 Ų | 224 | 116.9 Ų | 116.9 | 85% | 0.848 | 63% | 0.628 | S | S | * | * | trans | -88.5 | 119.3 | 165.3 | -70.3 | 6.1 | 0 | 0 | 0 | 109.2 | A1058 | A1058-W1060 PolarHBondContact O-N 3.27Š| ||
| 1061 | P | 30.2 | Very low | 36.7 | Very low | 110 Ų | 110 | 121.8 Ų | 121.8 | 71% | 0.714 | 64% | 0.64 | S | S | * | * | trans | -95.2 | 106.5 | 159.3 | 2.7 | 17.9 | 0 | 0 | 0 | 107.7 | L1059 S1063 | L1059-P1061 WeakPolarHBondContact O-CD 3.37Å; P1061-S1063 VanDerWaalsContact C-N 3.26Å; P1061-S1063 PolarHBondContact O-N 2.91Å | ||
| 1062 | T | 25.3 | Very low | 35.7 | Very low | 135 Ų | 135 | 121.9 Ų | 121.9 | 83% | 0.828 | 65% | 0.648 | S | S | * | * | trans | -65.4 | 81.6 | 169.4 | 49 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1063 | S | 29.7 | Very low | 34.8 | Very low | 99 Ų | 99 | 126.1 Ų | 126.1 | 69% | 0.692 | 66% | 0.656 | S | S | * | * | trans | -154.5 | 123.9 | 161.1 | 56 | 0 | 0 | 0 | 0 | 110.5 | P1061 L1065 | P1061-S1063 VanDerWaalsContact C-N 3.26Å; P1061-S1063 PolarHBondContact O-N 2.91Å; S1063-L1065 PolarHBondContact O-N 2.99Å; S1063-L1065 VanDerWaalsContact O-N 3.11Å | ||
| 1064 | K | 31.8 | Very low | 33.4 | Very low | 212 Ų | 212 | 131.5 Ų | 131.5 | 92% | 0.922 | 67% | 0.673 | S | S | * | * | trans | -46.4 | 104.4 | -177.3 | -69.6 | 166.2 | 170.2 | 176.6 | 0 | 111.9 | ||||
| 1065 | L | 25.9 | Very low | 32.9 | Very low | 157 Ų | 157 | 130.6 Ų | 130.6 | 82% | 0.822 | 67% | 0.668 | S | S | * | * | trans | -140.9 | 125.7 | 161.4 | -128.9 | 89.7 | 0 | 0 | 0 | 108.5 | S1063 | S1063-L1065 PolarHBondContact O-N 2.99Å; S1063-L1065 VanDerWaalsContact O-N 3.11Å | ||
| 1066 | D | 34 | Very low | 32.4 | Very low | 146 Ų | 146 | 133.6 Ų | 133.6 | 78% | 0.781 | 68% | 0.684 | S | S | * | * | trans | -60.4 | 133.1 | -165.6 | -66.4 | -48.7 | 0 | 0 | 0 | 113.5 | E1068 | D1066-E1068 PolarHBondContact O-N 3.37Š| ||
| 1067 | E | 30 | Very low | 31.9 | Very low | 179 Ų | 179 | 135.5 Ų | 135.5 | 84% | 0.836 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.7 | -17.3 | -168.5 | -90.5 | -175.7 | 142.1 | 0 | 0 | 116.2 | ||
| 1068 | E | 34.5 | Very low | 31.5 | Very low | 166 Ų | 166 | 136 Ų | 136 | 78% | 0.776 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | -40 | -172.6 | -89.3 | -176.7 | 150.4 | 0 | 0 | 113.6 | D1066 L1070 K1071 | D1066-E1068 PolarHBondContact O-N 3.37Å; E1068-L1070 PolarHBondContact O-N 3.49Å; E1068-K1071 PolarHBondContact O-N 3.06Å |
| 1069 | N | 32 | Very low | 31.5 | Very low | 137 Ų | 137 | 134.8 Ų | 134.8 | 73% | 0.733 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -73.3 | -15.4 | 179.2 | -75.2 | -33.6 | 0 | 0 | 0 | 112.8 | ||
| 1070 | L | 30 | Very low | 31.5 | Very low | 99 Ų | 99 | 134.4 Ų | 134.4 | 52% | 0.518 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -75.8 | -23.2 | 177 | -139.4 | 85.6 | 0 | 0 | 0 | 113.2 | E1068 R1074 | E1068-L1070 PolarHBondContact O-N 3.49Å; L1070-R1074 WeakPolarHBondContact O-CB 3.37Å; L1070-R1074 PolarHBondContact O-N 3.27Å |
| 1071 | K | 31 | Very low | 31.9 | Very low | 150 Ų | 150 | 126.6 Ų | 126.6 | 65% | 0.652 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -76 | -40 | 178.6 | -93.1 | 177.6 | 178.4 | 167.5 | 0 | 112.5 | E1068 N1075 | E1068-K1071 PolarHBondContact O-N 3.06Å; K1071-N1075 WeakPolarHBondContact O-CB 3.49Å; K1071-N1075 PolarHBondContact O-N 3.47Å; K1071-N1075 PolarHBondContact O-ND2 3.05Å; K1071-N1075 VanDerWaalsContact O-ND2 3.16Å |
| 1072 | D | 35.2 | Very low | 32.3 | Very low | 107 Ų | 107 | 124.8 Ų | 124.8 | 57% | 0.572 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -75.3 | -37.1 | -176.4 | -77 | -14.9 | 0 | 0 | 0 | 112.4 | N1075 I1076 | D1072-N1075 PolarHBondContact O-N 3.47Å; D1072-I1076 WeakPolarHBondContact O-CG1 3.45Å; D1072-I1076 PolarHBondContact O-N 3.39Å |
| 1073 | Y | 31.3 | Very low | 32.8 | Very low | 172 Ų | 172 | 120.3 Ų | 120.3 | 68% | 0.675 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -70.6 | -35.5 | 176.7 | -135.3 | -90.3 | 0 | 0 | 0 | 112.7 | H1077 | Y1073-H1077 AromaticContact CE1-CD2 3.78Å; Y1073-H1077 AromaticContact CE1-NE2 3.93Å |
| 1074 | R | 30 | Very low | 33.2 | Very low | 167 Ų | 167 | 122.6 Ų | 122.6 | 63% | 0.63 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -64.4 | -42.7 | 171 | -90.7 | -178.5 | 170.9 | 171.2 | -0.8 | 111.8 | L1070 I1078 | L1070-R1074 WeakPolarHBondContact O-CB 3.37Å; L1070-R1074 PolarHBondContact O-N 3.27Å; R1074-I1078 HydrophobicContact CB-CD1 4.28Å; R1074-I1078 WeakPolarHBondContact O-CB 3.43Å; R1074-I1078 WeakPolarHBondContact O-CD1 3.28Å; R1074-I1078 WeakPolarHBondContact O-CG1 3.31Å; R1074-I1078 PolarHBondContact O-N 2.85Å; R1074-I1078 VanDerWaalsContact O-N 3.14Å |
| 1075 | N | 34.9 | Very low | 33.8 | Very low | 98 Ų | 98 | 120 Ų | 120 | 52% | 0.524 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -71.9 | -33.6 | -174.2 | -75 | -24.4 | 0 | 0 | 0 | 113.2 | K1071 D1072 A1079 | K1071-N1075 WeakPolarHBondContact O-CB 3.49Å; K1071-N1075 PolarHBondContact O-N 3.47Å; K1071-N1075 PolarHBondContact O-ND2 3.05Å; K1071-N1075 VanDerWaalsContact O-ND2 3.16Å; D1072-N1075 PolarHBondContact O-N 3.47Å; N1075-A1079 WeakPolarHBondContact O-CB 3.5Å; N1075-A1079 PolarHBondContact O-N 3.49Å |
| 1076 | I | 35.9 | Very low | 35 | Very low | 100 Ų | 100 | 118.1 Ų | 118.1 | 51% | 0.513 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -73.3 | -46.4 | -177.2 | -64.6 | 166.4 | 0 | 0 | 0 | 111.7 | D1072 A1079 Q1080 | D1072-I1076 WeakPolarHBondContact O-CG1 3.45Å; D1072-I1076 PolarHBondContact O-N 3.39Å; I1076-A1079 PolarHBondContact O-N 2.94Å; I1076-Q1080 PolarHBondContact O-N 2.89Å |
| 1077 | H | 34.8 | Very low | 36.3 | Very low | 105 Ų | 105 | 112.5 Ų | 112.5 | 49% | 0.486 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -75.7 | -36.8 | -179.5 | -83.5 | -69.8 | 0 | 0 | 0 | 113.1 | Y1073 A1079 Q1080 A1081 | Y1073-H1077 AromaticContact CE1-CD2 3.78Å; Y1073-H1077 AromaticContact CE1-NE2 3.93Å; H1077-A1079 VanDerWaalsContact C-N 3.3Å; H1077-A1079 PolarHBondContact O-N 2.99Å; H1077-Q1080 PolarHBondContact O-N 3.05Å; H1077-A1081 WeakPolarHBondContact O-CB 3.21Å; H1077-A1081 PolarHBondContact O-N 3.28Å |
| 1078 | I | 34.1 | Very low | 38.1 | Very low | 84 Ų | 84 | 104.3 Ų | 104.3 | 43% | 0.431 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.9 | -39.7 | 171 | -66 | 172.6 | 0 | 0 | 0 | 109.4 | R1074 Q1080 I1082 | R1074-I1078 HydrophobicContact CB-CD1 4.28Å; R1074-I1078 WeakPolarHBondContact O-CB 3.43Å; R1074-I1078 WeakPolarHBondContact O-CD1 3.28Å; R1074-I1078 WeakPolarHBondContact O-CG1 3.31Å; R1074-I1078 PolarHBondContact O-N 2.85Å; R1074-I1078 VanDerWaalsContact O-N 3.14Å; I1078-Q1080 PolarHBondContact O-N 2.93Å; I1078-I1082 HydrophobicContact CG2-CD1 3.31Å; I1078-I1082 HydrophobicContact CG2-CG1 3.97Å; I1078-I1082 WeakPolarHBondContact O-CB 3.4Å; I1078-I1082 WeakPolarHBondContact O-CG1 3.4Å; I1078-I1082 PolarHBondContact O-N 3.37Å |
| 1079 | A | 34.8 | Very low | 40.3 | Very low | 57 Ų | 57 | 102.1 Ų | 102.1 | 47% | 0.471 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.5 | -38.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | N1075 I1076 H1077 S1083 | N1075-A1079 WeakPolarHBondContact O-CB 3.5Å; N1075-A1079 PolarHBondContact O-N 3.49Å; I1076-A1079 PolarHBondContact O-N 2.94Å; H1077-A1079 VanDerWaalsContact C-N 3.3Å; H1077-A1079 PolarHBondContact O-N 2.99Å; A1079-S1083 WeakPolarHBondContact O-CB 3.43Å; A1079-S1083 PolarHBondContact O-N 3.36Å |
| 1080 | Q | 32.6 | Very low | 42.9 | Very low | 118 Ų | 118 | 95.8 Ų | 95.8 | 55% | 0.551 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -72.3 | -43.2 | 179.4 | -75.5 | -178.9 | -17.9 | 0 | 0 | 112.9 | I1076 H1077 I1078 S1083 R1084 | I1076-Q1080 PolarHBondContact O-N 2.89Å; H1077-Q1080 PolarHBondContact O-N 3.05Å; I1078-Q1080 PolarHBondContact O-N 2.93Å; Q1080-S1083 WeakPolarHBondContact O-CB 3.48Å; Q1080-S1083 PolarHBondContact O-N 3.49Å; Q1080-S1083 VanDerWaalsContact O-N 3.16Å; Q1080-R1084 PolarHBondContact O-N 2.69Å; Q1080-R1084 VanDerWaalsContact O-N 3.09Å |
| 1081 | A | 33 | Very low | 45.7 | Very low | 60 Ų | 60 | 91.1 Ų | 91.1 | 50% | 0.496 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -67.7 | -39.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | H1077 S1083 N1085 | H1077-A1081 WeakPolarHBondContact O-CB 3.21Å; H1077-A1081 PolarHBondContact O-N 3.28Å; A1081-S1083 VanDerWaalsContact C-N 3.27Å; A1081-S1083 PolarHBondContact O-N 3.21Å; A1081-N1085 PolarHBondContact O-N 3.34Å |
| 1082 | I | 37.3 | Very low | 48.2 | Very low | 73 Ų | 73 | 85.6 Ų | 85.6 | 37% | 0.374 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65.3 | -32.5 | 171.1 | -71.5 | -179.1 | 0 | 0 | 0 | 110.8 | I1078 K1086 | I1078-I1082 HydrophobicContact CG2-CD1 3.31Å; I1078-I1082 HydrophobicContact CG2-CG1 3.97Å; I1078-I1082 WeakPolarHBondContact O-CB 3.4Å; I1078-I1082 WeakPolarHBondContact O-CG1 3.4Å; I1078-I1082 PolarHBondContact O-N 3.37Å; I1082-K1086 HydrophobicContact CG2-CD 3.51Å; I1082-K1086 HydrophobicContact CG2-CG 4.16Å; I1082-K1086 WeakPolarHBondContact O-CB 3.43Å; I1082-K1086 WeakPolarHBondContact O-CD 3.48Å; I1082-K1086 WeakPolarHBondContact O-CG 3.16Å; I1082-K1086 PolarHBondContact O-N 3.32Å |
| 1083 | S | 36.8 | Very low | 50.3 | Low | 40 Ų | 40 | 80.5 Ų | 80.5 | 28% | 0.28 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -71.1 | -38.5 | -179.7 | -178.5 | 0 | 0 | 0 | 0 | 113 | A1079 Q1080 A1081 K1086 A1087 N1145 | A1079-S1083 WeakPolarHBondContact O-CB 3.43Å; A1079-S1083 PolarHBondContact O-N 3.36Å; Q1080-S1083 WeakPolarHBondContact O-CB 3.48Å; Q1080-S1083 PolarHBondContact O-N 3.49Å; Q1080-S1083 VanDerWaalsContact O-N 3.16Å; A1081-S1083 VanDerWaalsContact C-N 3.27Å; A1081-S1083 PolarHBondContact O-N 3.21Å; S1083-K1086 PolarHBondContact O-N 3.3Å; S1083-A1087 PolarHBondContact O-N 2.93Å; S1083-N1145 PolarHBondContact OG-ND2 3.14Å |
| 1084 | R | 37.6 | Very low | 52.4 | Low | 148 Ų | 148 | 75.7 Ų | 75.7 | 56% | 0.558 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -70.1 | -45.7 | 175.4 | -78.5 | 178.3 | 171.9 | -178.7 | 2.9 | 111.9 | E922 Q1080 K1086 A1087 | E922-R1084 WeakPolarHBondContact OE1-CD 3.32Å; E922-R1084 WeakPolarHBondContact OE1-CG 3.11Å; E922-R1084 IonicContact OE1-NE 2.72Å; E922-R1084 PolarHBondContact OE1-NE 3.45Å; Q1080-R1084 PolarHBondContact O-N 2.69Å; Q1080-R1084 VanDerWaalsContact O-N 3.09Å; R1084-K1086 PolarHBondContact O-N 3.42Å; R1084-A1087 WeakPolarHBondContact O-CB 3.27Å; R1084-A1087 PolarHBondContact O-N 2.95Å; R1084-A1087 VanDerWaalsContact O-N 3.1Å |
| 1085 | N | 44.7 | Very low | 54.5 | Low | 156 Ų | 156 | 70.3 Ų | 70.3 | 83% | 0.834 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -0.9 | 171.7 | -84.9 | -24.7 | 0 | 0 | 0 | 114.3 | A1081 | A1081-N1085 PolarHBondContact O-N 3.34Š|
| 1086 | K | 49.7 | Very low | 56.2 | Low | 118 Ų | 118 | 67.6 Ų | 67.6 | 51% | 0.513 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109 | 5.8 | 172.3 | -79.7 | 179.3 | -179.7 | 169 | 0 | 113.7 | I1082 S1083 R1084 T1088 | I1082-K1086 HydrophobicContact CG2-CD 3.51Å; I1082-K1086 HydrophobicContact CG2-CG 4.16Å; I1082-K1086 WeakPolarHBondContact O-CB 3.43Å; I1082-K1086 WeakPolarHBondContact O-CD 3.48Å; I1082-K1086 WeakPolarHBondContact O-CG 3.16Å; I1082-K1086 PolarHBondContact O-N 3.32Å; S1083-K1086 PolarHBondContact O-N 3.3Å; R1084-K1086 PolarHBondContact O-N 3.42Å; K1086-T1088 PolarHBondContact O-N 3.4Å; K1086-T1088 PolarHBondContact O-OG1 2.93Å |
| 1087 | A | 61.3 | Low | 58 | Low | 29 Ų | 29 | 70.3 Ų | 70.3 | 24% | 0.24 | 38% | 0.376 | C | S | . | . | trans | -56.7 | 119.6 | 173 | 0 | 0 | 0 | 0 | 0 | 108.4 | S1083 R1084 Q1143 | S1083-A1087 PolarHBondContact O-N 2.93Å; R1084-A1087 WeakPolarHBondContact O-CB 3.27Å; R1084-A1087 PolarHBondContact O-N 2.95Å; R1084-A1087 VanDerWaalsContact O-N 3.1Å; A1087-Q1143 HydrophobicContact CB-CB 3.51Å; A1087-Q1143 PolarHBondContact O-OE1 3.34Å | ||
| 1088 | T | 69 | Low | 59.9 | Low | 7 Ų | 7 | 67.6 Ų | 67.6 | 4% | 0.043 | 37% | 0.365 | C | S | . | . | B | Isolated β-bridge | trans | -109.9 | 129.1 | -166.8 | -62.6 | 0 | 0 | 0 | 0 | 108.5 | K1086 Q1136 S1144 R1227 | K1086-T1088 PolarHBondContact O-N 3.4Å; K1086-T1088 PolarHBondContact O-OG1 2.93Å; T1088-Q1136 PolarHBondContact O-OE1 3.42Å; T1088-S1144 PolarHBondContact N-O 3.5Å; T1088-R1227 HydrophobicContact CG2-CB 4.38Å; T1088-R1227 HydrophobicContact CG2-CG 3.99Å |
| 1089 | K | 80.2 | Confident | 61.8 | Low | 120 Ų | 120 | 65.6 Ų | 65.6 | 52% | 0.522 | 36% | 0.357 | S | S | . | . | trans | -72.9 | 142.5 | 172.1 | -66.8 | -178.9 | -178.5 | 178.4 | 0 | 109.7 | D1092 Q1143 | K1089-D1092 HydrophobicContact CB-CB 4.2Å; K1089-Q1143 HydrophobicContact CG-CG 4.09Å | ||
| 1090 | C | 87.2 | Confident | 63.6 | Low | 4 Ų | 4 | 63.6 Ų | 63.6 | 3% | 0.027 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | 148.2 | 173.6 | 71.3 | 0 | 0 | 0 | 0 | 110.9 | D1092 Q1136 P1228 C1230 | C1090-D1092 PolarHBondContact O-N 3.04Å; C1090-Q1136 HydrophobicContact CB-CB 4.37Å; C1090-P1228 WeakPolarHBondContact CA-O 3.35Å; C1090-P1228 HydrophobicContact CB-CG 4.46Å; C1090-C1230 HydrophobicContact CB-CB 4.02Å; C1090-C1230 WeakPolarHBondContact CB-SG 3.46Å; C1090-C1230 PolarHBondContact O-SG 2.86Å; C1090-C1230 VanDerWaalsContact SG-CA 3.52Å; C1090-C1230 WeakPolarHBondContact SG-CB 3.47Å; C1090-C1230 CovalentContact SG-SG 2.05Å; C1090-C1230 PolarHBondContact SG-SG 3.22Å |
| 1091 | G | 87.4 | Confident | 65.5 | Low | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.9 | 7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | P1228 V1307 | G1091-P1228 PolarHBondContact N-O 3.5Å; G1091-V1307 PolarHBondContact O-N 2.75Å; G1091-V1307 VanDerWaalsContact O-N 3.14Å |
| 1092 | D | 85.1 | Confident | 67.5 | Low | 34 Ų | 34 | 56.9 Ų | 56.9 | 18% | 0.182 | 30% | 0.299 | C | S | . | . | trans | -87.6 | 124.5 | 179.9 | 172 | 38.9 | 0 | 0 | 0 | 111.8 | K1089 C1090 S1094 R1227 | K1089-D1092 HydrophobicContact CB-CB 4.2Å; C1090-D1092 PolarHBondContact O-N 3.04Å; D1092-S1094 VanDerWaalsContact OD1-CB 3.26Å; D1092-S1094 WeakPolarHBondContact OD1-CB 3.31Å; D1092-S1094 PolarHBondContact OD1-N 2.61Å; D1092-S1094 PolarHBondContact OD1-OG 2.76Å; D1092-S1094 PolarHBondContact OD2-OG 3.15Å; D1092-R1227 IonicContact OD2-NH1 2.72Å; D1092-R1227 PolarHBondContact OD2-NH1 3.32Å | ||
| 1093 | V | 79.7 | Confident | 69.3 | Low | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.006 | 28% | 0.283 | C | S | . | . | trans | -116.6 | 1.1 | 175.5 | -59.9 | 0 | 0 | 0 | 0 | 114.1 | Y1095 A1096 P1100 Y1103 F1114 W1116 | V1093-Y1095 HydrophobicContact CB-CE1 4.28Å; V1093-Y1095 PolarHBondContact O-N 3.41Å; V1093-Y1095 VanDerWaalsContact O-N 3.15Å; V1093-A1096 PolarHBondContact O-N 2.91Å; V1093-P1100 HydrophobicContact CG2-CB 4.22Å; V1093-P1100 VanDerWaalsContact CG2-CD 3.47Å; V1093-P1100 HydrophobicContact CG2-CG 3.63Å; V1093-Y1103 HydrophobicContact CB-CE2 3.88Å; V1093-Y1103 HydrophobicContact CG1-CE2 4.12Å; V1093-Y1103 HydrophobicContact CG2-CE2 4.3Å; V1093-F1114 HydrophobicContact CG1-CD1 4.43Å; V1093-W1116 HydrophobicContact CG1-CH2 3.75Å; V1093-W1116 HydrophobicContact CG1-CZ3 3.99Å | ||
| 1094 | S | 75.1 | Confident | 70.6 | Confident | 70 Ų | 70 | 52.7 Ų | 52.7 | 49% | 0.49 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -63.2 | -22.9 | -176.5 | 65.3 | 0 | 0 | 0 | 0 | 113.3 | D1092 A1096 N1097 | D1092-S1094 VanDerWaalsContact OD1-CB 3.26Å; D1092-S1094 WeakPolarHBondContact OD1-CB 3.31Å; D1092-S1094 PolarHBondContact OD1-N 2.61Å; D1092-S1094 PolarHBondContact OD1-OG 2.76Å; D1092-S1094 PolarHBondContact OD2-OG 3.15Å; S1094-A1096 PolarHBondContact O-N 2.74Å; S1094-A1096 VanDerWaalsContact O-N 3.09Å; S1094-N1097 WeakPolarHBondContact O-CA 3.18Å; S1094-N1097 PolarHBondContact O-N 3.48Å |
| 1095 | Y | 74.1 | Confident | 71.8 | Confident | 54 Ų | 54 | 48.4 Ų | 48.4 | 21% | 0.212 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -55.1 | -25.8 | 175.9 | 72.5 | -84.8 | 0 | 0 | 0 | 115.2 | V1093 N1097 Y1103 P1115 N1224 R1227 | V1093-Y1095 HydrophobicContact CB-CE1 4.28Å; V1093-Y1095 PolarHBondContact O-N 3.41Å; V1093-Y1095 VanDerWaalsContact O-N 3.15Å; Y1095-N1097 VanDerWaalsContact C-N 3.3Å; Y1095-Y1103 PolarHBondContact OH-OH 3.14Å; Y1095-P1115 HydrophobicContact CE1-CG 4.47Å; Y1095-P1115 WeakPolarHBondContact OH-CG 3.43Å; Y1095-N1224 HydrophobicContact CD2-CB 4.27Å; Y1095-N1224 HydrophobicContact CE2-CB 3.92Å; Y1095-N1224 VanDerWaalsContact CE2-O 3.25Å; Y1095-N1224 WeakPolarHBondContact CE2-O 3.49Å; Y1095-N1224 PolarHBondContact OH-O 3.27Å; Y1095-N1224 VanDerWaalsContact OH-O 3.04Å; Y1095-R1227 HydrophobicContact CE1-CG 4.46Å; Y1095-R1227 VanDerWaalsContact CG-NH1 3.34Å |
| 1096 | A | 70.6 | Confident | 72.3 | Confident | 42 Ų | 42 | 43.3 Ų | 43.3 | 35% | 0.347 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -90.7 | 5.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V1093 S1094 L1098 | V1093-A1096 PolarHBondContact O-N 2.91Å; S1094-A1096 PolarHBondContact O-N 2.74Å; S1094-A1096 VanDerWaalsContact O-N 3.09Å; A1096-L1098 HydrophobicContact CB-CB 4.19Å; A1096-L1098 HydrophobicContact CB-CD1 3.83Å; A1096-L1098 HydrophobicContact CB-CG 3.97Å; A1096-L1098 PolarHBondContact O-N 3.05Å |
| 1097 | N | 72 | Confident | 72.2 | Confident | 157 Ų | 157 | 41.8 Ų | 41.8 | 84% | 0.84 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 33.2 | -164.2 | -70.1 | -17.9 | 0 | 0 | 0 | 112.5 | S1094 Y1095 | S1094-N1097 WeakPolarHBondContact O-CA 3.18Å; S1094-N1097 PolarHBondContact O-N 3.48Å; Y1095-N1097 VanDerWaalsContact C-N 3.3Å |
| 1098 | L | 75.5 | Confident | 71.5 | Confident | 47 Ų | 47 | 47.4 Ų | 47.4 | 25% | 0.246 | 26% | 0.258 | C | S | . | . | trans | -119.3 | 151.2 | 179 | -65.1 | 173.4 | 0 | 0 | 0 | 109.8 | A1096 D1102 Y1103 L1112 | A1096-L1098 HydrophobicContact CB-CB 4.19Å; A1096-L1098 HydrophobicContact CB-CD1 3.83Å; A1096-L1098 HydrophobicContact CB-CG 3.97Å; A1096-L1098 PolarHBondContact O-N 3.05Å; L1098-D1102 HydrophobicContact CB-CB 4.3Å; L1098-D1102 HydrophobicContact CD2-CB 3.97Å; L1098-Y1103 HydrophobicContact CB-CE2 3.95Å; L1098-Y1103 HydrophobicContact CD1-CE2 3.89Å; L1098-L1112 HydrophobicContact CD1-CD1 3.78Å; L1098-L1112 HydrophobicContact CD1-CD2 4.27Å; L1098-L1112 HydrophobicContact CD2-CD1 4.47Å | ||
| 1099 | T | 74.1 | Confident | 70.6 | Confident | 43 Ų | 43 | 59 Ų | 59 | 26% | 0.264 | 30% | 0.301 | S | S | . | . | trans | -91.3 | 156.5 | 169.4 | 68.5 | 0 | 0 | 0 | 0 | 110.1 | M1101 D1102 | T1099-M1101 PolarHBondContact O-N 2.86Å; T1099-D1102 WeakPolarHBondContact CB-OD2 3.42Å; T1099-D1102 PolarHBondContact N-OD2 2.83Å; T1099-D1102 PolarHBondContact O-N 2.97Å; T1099-D1102 PolarHBondContact OG1-N 3.32Å; T1099-D1102 PolarHBondContact OG1-OD2 2.86Å | ||
| 1100 | P | 73.4 | Confident | 69.3 | Low | 15 Ų | 15 | 60.4 Ų | 60.4 | 10% | 0.097 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -52.9 | -27.2 | 173.4 | -27.8 | 33.8 | 0 | 0 | 0 | 114.2 | V1093 I1302 V1307 | V1093-P1100 HydrophobicContact CG2-CB 4.22Å; V1093-P1100 VanDerWaalsContact CG2-CD 3.47Å; V1093-P1100 HydrophobicContact CG2-CG 3.63Å; P1100-I1302 HydrophobicContact CB-CD1 3.67Å; P1100-I1302 HydrophobicContact CB-CG1 3.79Å; P1100-I1302 HydrophobicContact CB-CG2 4.32Å; P1100-I1302 HydrophobicContact CG-CG2 4.48Å; P1100-V1307 HydrophobicContact CB-CG2 3.71Å; P1100-V1307 HydrophobicContact CG-CG2 3.99Å |
| 1101 | M | 71.3 | Confident | 68.1 | Low | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -77.7 | -24.1 | 177.1 | -78.5 | -56.8 | -65.4 | 0 | 0 | 114.3 | T1099 Y1103 A1104 I1105 F1245 I1302 F1516 R1518 P1583 | T1099-M1101 PolarHBondContact O-N 2.86Å; M1101-Y1103 PolarHBondContact O-N 3.34Å; M1101-A1104 HydrophobicContact CE-CB 4.41Å; M1101-A1104 CarbonylContact O-C 3.54Å; M1101-A1104 WeakPolarHBondContact O-CA 3.05Å; M1101-A1104 WeakPolarHBondContact O-CB 3.34Å; M1101-A1104 PolarHBondContact O-N 3.09Å; M1101-A1104 HydrophobicContact SD-CB 4.38Å; M1101-I1105 HydrophobicContact CB-CD1 3.84Å; M1101-I1105 HydrophobicContact CE-CD1 3.89Å; M1101-I1105 HydrophobicContact CE-CG1 3.86Å; M1101-I1105 WeakPolarHBondContact O-CD1 3.33Å; M1101-I1105 VanDerWaalsContact O-CG1 3.23Å; M1101-I1105 WeakPolarHBondContact O-CG1 3.27Å; M1101-I1105 PolarHBondContact O-N 2.99Å; M1101-F1245 HydrophobicContact CE-CZ 4.16Å; M1101-F1245 HydrophobicContact SD-CE2 4.05Å; M1101-F1245 HydrophobicContact SD-CZ 3.59Å; M1101-F1245 VanDerWaalsContact SD-CZ 3.59Å; M1101-I1302 HydrophobicContact CG-CD1 3.76Å; M1101-I1302 HydrophobicContact SD-CD1 3.38Å; M1101-I1302 WeakPolarHBondContact SD-CD1 3.22Å; M1101-F1516 HydrophobicContact CB-CD1 4.42Å; M1101-F1516 HydrophobicContact CB-CE1 3.85Å; M1101-F1516 HydrophobicContact CB-CE2 4.19Å; M1101-F1516 HydrophobicContact CB-CZ 3.75Å; M1101-F1516 HydrophobicContact CG-CD1 4.39Å; M1101-F1516 HydrophobicContact CG-CD2 3.92Å; M1101-F1516 HydrophobicContact CG-CE1 3.71Å; M1101-F1516 HydrophobicContact CG-CE2 3.2Å; M1101-F1516 HydrophobicContact CG-CZ 3.08Å; M1101-F1516 HydrophobicContact SD-CE2 4.24Å; M1101-R1518 VanDerWaalsContact CE-CZ 3.48Å; M1101-P1583 HydrophobicContact CE-CG 4.26Å |
| 1102 | D | 75.8 | Confident | 67.6 | Low | 36 Ų | 36 | 66.6 Ų | 66.6 | 19% | 0.193 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.2 | -34.6 | 178.7 | -62.9 | -41.4 | 0 | 0 | 0 | 110.8 | L1098 T1099 A1104 L1107 | L1098-D1102 HydrophobicContact CB-CB 4.3Å; L1098-D1102 HydrophobicContact CD2-CB 3.97Å; T1099-D1102 WeakPolarHBondContact CB-OD2 3.42Å; T1099-D1102 PolarHBondContact N-OD2 2.83Å; T1099-D1102 PolarHBondContact O-N 2.97Å; T1099-D1102 PolarHBondContact OG1-N 3.32Å; T1099-D1102 PolarHBondContact OG1-OD2 2.86Å; D1102-A1104 VanDerWaalsContact C-N 3.27Å; D1102-A1104 PolarHBondContact O-N 3.36Å; D1102-L1107 HydrophobicContact CB-CD1 4.44Å |
| 1103 | Y | 74.6 | Confident | 67.6 | Low | 11 Ų | 11 | 66.1 Ų | 66.1 | 4% | 0.043 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.3 | -32.2 | 169.7 | -71.8 | -95.7 | 0 | 0 | 0 | 112.9 | V1093 Y1095 L1098 M1101 L1112 V1113 F1114 | V1093-Y1103 HydrophobicContact CB-CE2 3.88Å; V1093-Y1103 HydrophobicContact CG1-CE2 4.12Å; V1093-Y1103 HydrophobicContact CG2-CE2 4.3Å; Y1095-Y1103 PolarHBondContact OH-OH 3.14Å; L1098-Y1103 HydrophobicContact CB-CE2 3.95Å; L1098-Y1103 HydrophobicContact CD1-CE2 3.89Å; M1101-Y1103 PolarHBondContact O-N 3.34Å; Y1103-L1112 HydrophobicContact CD1-CB 3.72Å; Y1103-L1112 HydrophobicContact CE1-CB 4.14Å; Y1103-L1112 HydrophobicContact CG-CB 4.23Å; Y1103-V1113 VanDerWaalsContact CE1-O 3.26Å; Y1103-V1113 WeakPolarHBondContact CE1-O 3.4Å; Y1103-F1114 VanDerWaalsContact CB-CE1 3.44Å; Y1103-F1114 VanDerWaalsContact CB-CZ 3.49Å; Y1103-F1114 AromaticContact CD1-CD1 3.84Å; Y1103-F1114 HydrophobicContact CD1-CD1 3.84Å; Y1103-F1114 HydrophobicContact CD1-CE1 4.18Å; Y1103-F1114 HydrophobicContact CD1-CG 4.27Å; Y1103-F1114 HydrophobicContact CD2-CD1 4.24Å; Y1103-F1114 AromaticContact CD2-CE1 3.94Å; Y1103-F1114 HydrophobicContact CD2-CE1 3.94Å; Y1103-F1114 HydrophobicContact CE1-CD1 4.43Å; Y1103-F1114 AromaticContact CG-CD1 3.74Å; Y1103-F1114 HydrophobicContact CG-CD1 3.74Å; Y1103-F1114 AromaticContact CG-CE1 3.59Å; Y1103-F1114 HydrophobicContact CG-CE1 3.59Å; Y1103-F1114 HydrophobicContact CG-CG 4.45Å; Y1103-F1114 HydrophobicContact CG-CZ 4.18Å |
| 1104 | A | 65 | Low | 68 | Low | 14 Ų | 14 | 66.2 Ų | 66.2 | 12% | 0.116 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -87.2 | -32.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | M1101 D1102 F1245 | M1101-A1104 HydrophobicContact CE-CB 4.41Å; M1101-A1104 CarbonylContact O-C 3.54Å; M1101-A1104 WeakPolarHBondContact O-CA 3.05Å; M1101-A1104 WeakPolarHBondContact O-CB 3.34Å; M1101-A1104 PolarHBondContact O-N 3.09Å; M1101-A1104 HydrophobicContact SD-CB 4.38Å; D1102-A1104 VanDerWaalsContact C-N 3.27Å; D1102-A1104 PolarHBondContact O-N 3.36Å; A1104-F1245 HydrophobicContact CB-CD1 3.7Å; A1104-F1245 HydrophobicContact CB-CE1 3.21Å; A1104-F1245 HydrophobicContact CB-CE2 4.13Å; A1104-F1245 HydrophobicContact CB-CG 4.34Å; A1104-F1245 HydrophobicContact CB-CZ 3.46Å; A1104-F1245 VanDerWaalsContact CB-CZ 3.46Å |
| 1105 | I | 61.4 | Low | 68.8 | Low | 57 Ų | 57 | 63.2 Ų | 63.2 | 29% | 0.292 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -83.6 | -18.9 | -171 | -64 | 159.3 | 0 | 0 | 0 | 112 | M1101 L1107 P1583 | M1101-I1105 HydrophobicContact CB-CD1 3.84Å; M1101-I1105 HydrophobicContact CE-CD1 3.89Å; M1101-I1105 HydrophobicContact CE-CG1 3.86Å; M1101-I1105 WeakPolarHBondContact O-CD1 3.33Å; M1101-I1105 VanDerWaalsContact O-CG1 3.23Å; M1101-I1105 WeakPolarHBondContact O-CG1 3.27Å; M1101-I1105 PolarHBondContact O-N 2.99Å; I1105-L1107 HydrophobicContact CB-CD1 4.08Å; I1105-L1107 HydrophobicContact CG2-CD1 4.04Å; I1105-L1107 HydrophobicContact CG2-CG 4.32Å; I1105-P1583 HydrophobicContact CD1-CB 4.35Å; I1105-P1583 HydrophobicContact CD1-CG 3.26Å; I1105-P1583 HydrophobicContact CG1-CG 3.56Å |
| 1106 | N | 55.7 | Low | 69.7 | Low | 49 Ų | 49 | 60.6 Ų | 60.6 | 26% | 0.262 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 64.2 | -176.7 | -86.1 | -33.1 | 0 | 0 | 0 | 111.2 | D1108 K1111 | N1106-D1108 PolarHBondContact O-N 2.9Å; N1106-K1111 VanDerWaalsContact OD1-CA 3.27Å; N1106-K1111 WeakPolarHBondContact OD1-CA 3.44Å |
| 1107 | L | 47.1 | Very low | 70.7 | Confident | 87 Ų | 87 | 58.7 Ų | 58.7 | 46% | 0.455 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -64.2 | 132.6 | 172.5 | -74.1 | 103 | 0 | 0 | 0 | 109.8 | D1102 I1105 R1109 | D1102-L1107 HydrophobicContact CB-CD1 4.44Å; I1105-L1107 HydrophobicContact CB-CD1 4.08Å; I1105-L1107 HydrophobicContact CG2-CD1 4.04Å; I1105-L1107 HydrophobicContact CG2-CG 4.32Å; L1107-R1109 PolarHBondContact O-N 3.28Å |
| 1108 | D | 47.4 | Very low | 71.8 | Confident | 147 Ų | 147 | 51.3 Ų | 51.3 | 79% | 0.786 | 25% | 0.25 | S | C | * | . | G | 310 helix | trans | 58.8 | 43.5 | 161.9 | -58.4 | -26.7 | 0 | 0 | 0 | 118.3 | N1106 Q1110 | N1106-D1108 PolarHBondContact O-N 2.9Å; D1108-Q1110 PolarHBondContact O-N 3.12Å |
| 1109 | R | 49.5 | Very low | 72.6 | Confident | 251 Ų | 251 | 49 Ų | 49 | 95% | 0.947 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | 61.9 | -3 | 175 | -56.4 | -178.7 | 176.4 | -169.9 | -0.5 | 115.1 | L1107 K1111 | L1107-R1109 PolarHBondContact O-N 3.28Å; R1109-K1111 PolarHBondContact O-N 3.28Å |
| 1110 | Q | 53.9 | Low | 73.6 | Confident | 149 Ų | 149 | 47 Ų | 47 | 70% | 0.696 | 23% | 0.226 | S | C | * | . | trans | -86 | 102.3 | 169 | -76.5 | -172.7 | -9.4 | 0 | 0 | 108.8 | D1108 L1112 | D1108-Q1110 PolarHBondContact O-N 3.12Å; Q1110-L1112 PolarHBondContact O-N 3Å | ||
| 1111 | K | 61.9 | Low | 74.5 | Confident | 83 Ų | 83 | 47.4 Ų | 47.4 | 36% | 0.361 | 23% | 0.226 | S | C | . | . | trans | -78.5 | 110.4 | 176.7 | -68.2 | -166.2 | 174.9 | -168.6 | 0 | 110.7 | N1106 R1109 D1257 | N1106-K1111 VanDerWaalsContact OD1-CA 3.27Å; N1106-K1111 WeakPolarHBondContact OD1-CA 3.44Å; R1109-K1111 PolarHBondContact O-N 3.28Å; K1111-D1257 WeakPolarHBondContact CD-OD2 3.4Å; K1111-D1257 WeakPolarHBondContact CE-OD2 3.49Å; K1111-D1257 IonicContact NZ-OD2 2.69Å; K1111-D1257 PolarHBondContact NZ-OD2 3.3Å | ||
| 1112 | L | 77.3 | Confident | 75.4 | Confident | 50 Ų | 50 | 50.7 Ų | 50.7 | 26% | 0.262 | 24% | 0.238 | S | C | . | . | trans | -89.1 | 141.7 | 179.4 | -67 | 168.1 | 0 | 0 | 0 | 109.8 | L1098 Y1103 Q1110 | L1098-L1112 HydrophobicContact CD1-CD1 3.78Å; L1098-L1112 HydrophobicContact CD1-CD2 4.27Å; L1098-L1112 HydrophobicContact CD2-CD1 4.47Å; Y1103-L1112 HydrophobicContact CD1-CB 3.72Å; Y1103-L1112 HydrophobicContact CE1-CB 4.14Å; Y1103-L1112 HydrophobicContact CG-CB 4.23Å; Q1110-L1112 PolarHBondContact O-N 3Å | ||
| 1113 | V | 84.6 | Confident | 76 | Confident | 24 Ų | 24 | 53.1 Ų | 53.1 | 15% | 0.145 | 25% | 0.247 | C | C | . | . | trans | -123 | 135 | -176.9 | 177.9 | 0 | 0 | 0 | 0 | 108.4 | Y1103 N1117 T1178 I1256 | Y1103-V1113 VanDerWaalsContact CE1-O 3.26Å; Y1103-V1113 WeakPolarHBondContact CE1-O 3.4Å; V1113-N1117 WeakPolarHBondContact CG1-ND2 3.42Å; V1113-T1178 HydrophobicContact CB-CG2 4.14Å; V1113-T1178 HydrophobicContact CG1-CG2 4.4Å; V1113-I1256 HydrophobicContact CG1-CB 4.36Å; V1113-I1256 HydrophobicContact CG1-CG2 4.12Å; V1113-I1256 VanDerWaalsContact CG2-O 3.29Å; V1113-I1256 WeakPolarHBondContact CG2-O 3.38Å | ||
| 1114 | F | 89 | Confident | 76.5 | Confident | 3 Ų | 3 | 56.7 Ų | 56.7 | 1% | 0.013 | 29% | 0.287 | C | S | . | . | trans | -64 | 144.5 | -177.7 | -77 | -65.2 | 0 | 0 | 0 | 112.2 | V1093 Y1103 W1116 N1117 E1258 M1300 | V1093-F1114 HydrophobicContact CG1-CD1 4.43Å; Y1103-F1114 VanDerWaalsContact CB-CE1 3.44Å; Y1103-F1114 VanDerWaalsContact CB-CZ 3.49Å; Y1103-F1114 AromaticContact CD1-CD1 3.84Å; Y1103-F1114 HydrophobicContact CD1-CD1 3.84Å; Y1103-F1114 HydrophobicContact CD1-CE1 4.18Å; Y1103-F1114 HydrophobicContact CD1-CG 4.27Å; Y1103-F1114 HydrophobicContact CD2-CD1 4.24Å; Y1103-F1114 AromaticContact CD2-CE1 3.94Å; Y1103-F1114 HydrophobicContact CD2-CE1 3.94Å; Y1103-F1114 HydrophobicContact CE1-CD1 4.43Å; Y1103-F1114 AromaticContact CG-CD1 3.74Å; Y1103-F1114 HydrophobicContact CG-CD1 3.74Å; Y1103-F1114 AromaticContact CG-CE1 3.59Å; Y1103-F1114 HydrophobicContact CG-CE1 3.59Å; Y1103-F1114 HydrophobicContact CG-CG 4.45Å; Y1103-F1114 HydrophobicContact CG-CZ 4.18Å; F1114-W1116 VanDerWaalsContact C-N 3.26Å; F1114-W1116 HydrophobicContact CB-CD2 4.17Å; F1114-W1116 VanDerWaalsContact CB-CE2 3.47Å; F1114-W1116 HydrophobicContact CB-CG 4.45Å; F1114-W1116 HydrophobicContact CB-CZ2 3.74Å; F1114-W1116 VanDerWaalsContact CB-NE1 3.3Å; F1114-W1116 AromaticContact CD1-CE2 3.91Å; F1114-W1116 AromaticContact CD1-CH2 3.69Å; F1114-W1116 HydrophobicContact CD1-CH2 3.69Å; F1114-W1116 AromaticContact CD1-CZ2 3.21Å; F1114-W1116 HydrophobicContact CD1-CZ2 3.21Å; F1114-W1116 HydrophobicContact CD2-CZ2 4.23Å; F1114-W1116 HydrophobicContact CE1-CH2 4.16Å; F1114-W1116 AromaticContact CE1-CZ2 3.78Å; F1114-W1116 HydrophobicContact CE1-CZ2 3.78Å; F1114-W1116 AromaticContact CG-CE2 3.73Å; F1114-W1116 HydrophobicContact CG-CH2 4.36Å; F1114-W1116 AromaticContact CG-CZ2 3.48Å; F1114-W1116 HydrophobicContact CG-CZ2 3.48Å; F1114-W1116 VanDerWaalsContact CG-CZ2 3.48Å; F1114-W1116 AromaticContact CG-NE1 3.76Å; F1114-W1116 PolarHBondContact O-N 3.17Å; F1114-N1117 PolarHBondContact N-ND2 3.45Å; F1114-N1117 PolarHBondContact O-N 2.89Å; F1114-N1117 PolarHBondContact O-ND2 3.46Å; F1114-E1258 VanDerWaalsContact CD2-CD 3.43Å; F1114-E1258 HydrophobicContact CD2-CG 3.69Å; F1114-E1258 HydrophobicContact CE2-CG 4.05Å; F1114-E1258 PolarHBondContact N-OE1 3.03Å; F1114-E1258 VanDerWaalsContact N-OE1 3.08Å; F1114-M1300 HydrophobicContact CD2-CE 3.95Å; F1114-M1300 HydrophobicContact CD2-SD 3.9Å; F1114-M1300 HydrophobicContact CE2-CE 4.26Å; F1114-M1300 HydrophobicContact CE2-SD 4.37Å | ||
| 1115 | P | 90.1 | Very high | 77.4 | Confident | 7 Ų | 7 | 58.8 Ų | 58.8 | 5% | 0.045 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -0.3 | -170.9 | 33.3 | -39.4 | 0 | 0 | 0 | 114.7 | Y1095 V1226 R1227 | Y1095-P1115 HydrophobicContact CE1-CG 4.47Å; Y1095-P1115 WeakPolarHBondContact OH-CG 3.43Å; P1115-V1226 VanDerWaalsContact O-CA 3.27Å; P1115-V1226 WeakPolarHBondContact O-CA 3.19Å; P1115-R1227 CarbonylContact C-O 3.58Å; P1115-R1227 HydrophobicContact CB-CB 4.08Å; P1115-R1227 HydrophobicContact CB-CG 4.45Å; P1115-R1227 HydrophobicContact CG-CB 3.9Å; P1115-R1227 HydrophobicContact CG-CG 4.48Å; P1115-R1227 PolarHBondContact O-N 3.44Å |
| 1116 | W | 93 | Very high | 78.3 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 0 | 178.2 | 35.2 | 76.6 | 0 | 0 | 0 | 113.9 | V1093 F1114 V1118 S1133 I1134 R1227 I1229 M1300 V1307 | V1093-W1116 HydrophobicContact CG1-CH2 3.75Å; V1093-W1116 HydrophobicContact CG1-CZ3 3.99Å; F1114-W1116 VanDerWaalsContact C-N 3.26Å; F1114-W1116 HydrophobicContact CB-CD2 4.17Å; F1114-W1116 VanDerWaalsContact CB-CE2 3.47Å; F1114-W1116 HydrophobicContact CB-CG 4.45Å; F1114-W1116 HydrophobicContact CB-CZ2 3.74Å; F1114-W1116 VanDerWaalsContact CB-NE1 3.3Å; F1114-W1116 AromaticContact CD1-CE2 3.91Å; F1114-W1116 AromaticContact CD1-CH2 3.69Å; F1114-W1116 HydrophobicContact CD1-CH2 3.69Å; F1114-W1116 AromaticContact CD1-CZ2 3.21Å; F1114-W1116 HydrophobicContact CD1-CZ2 3.21Å; F1114-W1116 HydrophobicContact CD2-CZ2 4.23Å; F1114-W1116 HydrophobicContact CE1-CH2 4.16Å; F1114-W1116 AromaticContact CE1-CZ2 3.78Å; F1114-W1116 HydrophobicContact CE1-CZ2 3.78Å; F1114-W1116 AromaticContact CG-CE2 3.73Å; F1114-W1116 HydrophobicContact CG-CH2 4.36Å; F1114-W1116 AromaticContact CG-CZ2 3.48Å; F1114-W1116 HydrophobicContact CG-CZ2 3.48Å; F1114-W1116 VanDerWaalsContact CG-CZ2 3.48Å; F1114-W1116 AromaticContact CG-NE1 3.76Å; F1114-W1116 PolarHBondContact O-N 3.17Å; W1116-V1118 PolarHBondContact O-N 3.23Å; W1116-S1133 VanDerWaalsContact O-CA 3.31Å; W1116-S1133 WeakPolarHBondContact O-CA 3.01Å; W1116-I1134 HydrophobicContact CB-CG2 3.79Å; W1116-I1134 PolarHBondContact O-N 3.15Å; W1116-R1227 WeakPolarHBondContact CA-O 3.17Å; W1116-R1227 WeakPolarHBondContact CB-O 3.35Å; W1116-R1227 PolarHBondContact N-O 2.99Å; W1116-I1229 HydrophobicContact CB-CB 4.23Å; W1116-I1229 HydrophobicContact CD2-CB 3.76Å; W1116-I1229 HydrophobicContact CD2-CD1 4.26Å; W1116-I1229 HydrophobicContact CD2-CG1 4.26Å; W1116-I1229 HydrophobicContact CE3-CB 4.05Å; W1116-I1229 HydrophobicContact CG-CB 3.85Å; W1116-I1229 HydrophobicContact CG-CD1 4.49Å; W1116-I1229 HydrophobicContact CG-CG2 4.47Å; W1116-I1229 HydrophobicContact CZ2-CD1 4.12Å; W1116-I1229 HydrophobicContact CZ2-CG1 4.48Å; W1116-M1300 HydrophobicContact CZ2-SD 4.44Å; W1116-M1300 PolarHBondContact NE1-SD 3.35Å; W1116-V1307 HydrophobicContact CH2-CB 3.74Å; W1116-V1307 HydrophobicContact CH2-CG1 4.26Å; W1116-V1307 HydrophobicContact CH2-CG2 3.79Å; W1116-V1307 HydrophobicContact CZ2-CB 3.89Å; W1116-V1307 HydrophobicContact CZ2-CG1 3.87Å; W1116-V1307 HydrophobicContact CZ2-CG2 4.1Å |
| 1117 | N | 92.2 | Very high | 79.6 | Confident | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.011 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 132.2 | -175.8 | -76.2 | -55 | 0 | 0 | 0 | 112 | V1113 F1114 G1176 S1247 E1258 | V1113-N1117 WeakPolarHBondContact CG1-ND2 3.42Å; F1114-N1117 PolarHBondContact N-ND2 3.45Å; F1114-N1117 PolarHBondContact O-N 2.89Å; F1114-N1117 PolarHBondContact O-ND2 3.46Å; N1117-G1176 PolarHBondContact O-N 2.88Å; N1117-S1247 VanDerWaalsContact OD1-CB 3.24Å; N1117-S1247 WeakPolarHBondContact OD1-CB 3.39Å; N1117-S1247 PolarHBondContact OD1-OG 3.48Å; N1117-E1258 PolarHBondContact ND2-OE1 2.98Å |
| 1118 | V | 94.3 | Very high | 81.5 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.006 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 140.5 | 179.1 | 178.6 | 0 | 0 | 0 | 0 | 109.1 | W1116 L1131 A1132 I1134 V1150 V1173 F1174 V1175 | W1116-V1118 PolarHBondContact O-N 3.23Å; V1118-L1131 CarbonylContact O-C 3.56Å; V1118-A1132 HydrophobicContact CB-CB 3.8Å; V1118-A1132 HydrophobicContact CG1-CB 3.99Å; V1118-A1132 PolarHBondContact N-O 2.93Å; V1118-A1132 PolarHBondContact O-N 3.36Å; V1118-I1134 HydrophobicContact CG2-CB 4.15Å; V1118-V1150 HydrophobicContact CB-CG1 4.3Å; V1118-V1150 HydrophobicContact CG1-CG1 3.98Å; V1118-V1150 HydrophobicContact CG2-CG1 4.46Å; V1118-V1150 HydrophobicContact CG2-CG2 4.49Å; V1118-V1173 HydrophobicContact CG1-CB 3.72Å; V1118-V1173 HydrophobicContact CG1-CG1 4.24Å; V1118-V1173 HydrophobicContact CG1-CG2 4.28Å; V1118-F1174 CarbonylContact C-O 3.39Å; V1118-F1174 WeakPolarHBondContact CA-O 3.38Å; V1118-F1174 WeakPolarHBondContact CG1-O 3.06Å; V1118-V1175 HydrophobicContact CG1-CG2 4.22Å; V1118-V1175 HydrophobicContact CG2-CB 4.41Å; V1118-V1175 HydrophobicContact CG2-CG1 4.1Å; V1118-V1175 HydrophobicContact CG2-CG2 4.04Å |
| 1119 | V | 93.9 | Very high | 83.6 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 125.7 | 173.5 | 172.8 | 0 | 0 | 0 | 0 | 109.3 | P1128 L1131 V1173 F1174 V1177 Y1180 I1256 | V1119-P1128 HydrophobicContact CG1-CB 3.47Å; V1119-P1128 VanDerWaalsContact CG1-CB 3.47Å; V1119-L1131 HydrophobicContact CG2-CD2 4.29Å; V1119-V1173 CarbonylContact O-C 3.5Å; V1119-V1173 VanDerWaalsContact O-CA 3.29Å; V1119-V1173 WeakPolarHBondContact O-CA 3.41Å; V1119-F1174 HydrophobicContact CB-CB 4.42Å; V1119-F1174 PolarHBondContact N-O 3.48Å; V1119-F1174 PolarHBondContact O-N 2.95Å; V1119-V1177 HydrophobicContact CB-CG2 4.27Å; V1119-V1177 HydrophobicContact CG2-CB 4.03Å; V1119-V1177 HydrophobicContact CG2-CG1 3.91Å; V1119-V1177 HydrophobicContact CG2-CG2 4.02Å; V1119-Y1180 HydrophobicContact CB-CD2 4.4Å; V1119-Y1180 HydrophobicContact CB-CE2 4.45Å; V1119-Y1180 HydrophobicContact CG1-CD2 4.08Å; V1119-Y1180 HydrophobicContact CG1-CE2 3.87Å; V1119-Y1180 HydrophobicContact CG2-CD2 4.37Å; V1119-I1256 HydrophobicContact CG2-CD1 3.75Å |
| 1120 | V | 94.6 | Very high | 85.7 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 126.2 | 170.4 | -175.7 | 0 | 0 | 0 | 0 | 108.1 | W1129 C1130 A1132 T1152 F1157 F1171 V1173 | V1120-W1129 WeakPolarHBondContact O-CA 3.29Å; V1120-W1129 WeakPolarHBondContact O-CB 3.29Å; V1120-W1129 PolarHBondContact O-N 3.27Å; V1120-C1130 HydrophobicContact CB-CB 4.17Å; V1120-C1130 HydrophobicContact CG2-CB 4.46Å; V1120-C1130 PolarHBondContact N-O 3.3Å; V1120-C1130 PolarHBondContact O-N 2.87Å; V1120-A1132 HydrophobicContact CG2-CB 3.86Å; V1120-T1152 HydrophobicContact CG2-CG2 4.46Å; V1120-F1157 HydrophobicContact CG1-CE1 4.46Å; V1120-F1157 HydrophobicContact CG1-CZ 4.36Å; V1120-F1171 HydrophobicContact CG1-CB 4.27Å; V1120-F1171 HydrophobicContact CG1-CD1 3.99Å; V1120-F1171 HydrophobicContact CG1-CG 4.47Å; V1120-V1173 HydrophobicContact CG2-CG1 4.23Å |
| 1121 | Q | 91.5 | Very high | 87.7 | Confident | 24 Ų | 24 | 35.5 Ų | 35.5 | 11% | 0.112 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 137.9 | 175.2 | -165 | -166.7 | 37.2 | 0 | 0 | 110 | I1125 V1126 F1171 H1172 F1174 Y1180 | Q1121-I1125 VanDerWaalsContact CD-O 3.26Å; Q1121-I1125 WeakPolarHBondContact CG-O 3.32Å; Q1121-I1125 PolarHBondContact NE2-O 3.33Å; Q1121-V1126 PolarHBondContact NE2-O 3.26Å; Q1121-F1171 WeakPolarHBondContact O-CA 3.35Å; Q1121-H1172 PolarHBondContact N-O 2.6Å; Q1121-H1172 PolarHBondContact O-N 3.18Å; Q1121-H1172 PolarHBondContact OE1-CE1 3Å; Q1121-H1172 PolarHBondContact OE1-NE2 3.33Å; Q1121-F1174 HydrophobicContact CB-CD2 4.38Å; Q1121-F1174 HydrophobicContact CB-CE2 4.14Å; Q1121-Y1180 WeakPolarHBondContact CG-OH 3.4Å; Q1121-Y1180 PolarHBondContact NE2-OH 3.43Å |
| 1122 | R | 91.9 | Very high | 89.3 | Confident | 69 Ų | 69 | 31.5 Ų | 31.5 | 26% | 0.26 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 130.6 | 170 | -175.7 | 165.4 | 176.6 | 175.7 | 1.4 | 109.4 | G1124 I1125 W1129 F1171 | R1122-G1124 PolarHBondContact O-N 3.24Å; R1122-I1125 HydrophobicContact CB-CB 4.25Å; R1122-I1125 HydrophobicContact CB-CD1 4.24Å; R1122-I1125 HydrophobicContact CB-CG1 4.41Å; R1122-I1125 HydrophobicContact CG-CD1 4.16Å; R1122-I1125 HydrophobicContact CG-CG1 4.43Å; R1122-I1125 PolarHBondContact O-N 3.21Å; R1122-W1129 HydrophobicContact CB-CD2 4.28Å; R1122-W1129 HydrophobicContact CB-CE3 4.18Å; R1122-F1171 HydrophobicContact CB-CD1 3.84Å; R1122-F1171 HydrophobicContact CB-CE1 3.66Å; R1122-F1171 HydrophobicContact CB-CZ 4.46Å; R1122-F1171 HydrophobicContact CG-CD1 4.3Å; R1122-F1171 HydrophobicContact CG-CE1 3.95Å; R1122-F1171 HydrophobicContact CG-CZ 4.28Å |
| 1123 | K | 88.1 | Confident | 90.2 | Very high | 87 Ų | 87 | 29.1 Ų | 29.1 | 38% | 0.378 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 127.5 | 179 | -69.4 | 174.1 | 179.4 | 175.2 | 0 | 109.9 | T1169 H1170 H1172 E1191 | K1123-T1169 WeakPolarHBondContact CE-O 3.29Å; K1123-T1169 PolarHBondContact NZ-O 3.36Å; K1123-H1170 WeakPolarHBondContact CB-O 3.47Å; K1123-H1170 VanDerWaalsContact CG-O 3.31Å; K1123-H1170 WeakPolarHBondContact CG-O 3.11Å; K1123-H1170 PolarHBondContact N-O 3.19Å; K1123-H1172 WeakPolarHBondContact CG-ND1 3.32Å; K1123-E1191 VanDerWaalsContact CE-OE2 3.25Å; K1123-E1191 WeakPolarHBondContact CE-OE2 3.33Å; K1123-E1191 IonicContact NZ-OE2 2.79Å; K1123-E1191 PolarHBondContact NZ-OE2 2.92Å |
| 1124 | G | 84.6 | Confident | 90.6 | Very high | 86 Ų | 86 | 28 Ų | 28 | 89% | 0.887 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 87.4 | -8.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | R1122 | R1122-G1124 PolarHBondContact O-N 3.24Š|
| 1125 | I | 83.9 | Confident | 90.7 | Very high | 58 Ų | 58 | 27.9 Ų | 27.9 | 30% | 0.297 | 16% | 0.16 | S | C | . | . | trans | -111.8 | 119 | 176.4 | -59.7 | -175 | 0 | 0 | 0 | 109 | Q1121 R1122 W1129 | Q1121-I1125 VanDerWaalsContact CD-O 3.26Å; Q1121-I1125 WeakPolarHBondContact CG-O 3.32Å; Q1121-I1125 PolarHBondContact NE2-O 3.33Å; R1122-I1125 HydrophobicContact CB-CB 4.25Å; R1122-I1125 HydrophobicContact CB-CD1 4.24Å; R1122-I1125 HydrophobicContact CB-CG1 4.41Å; R1122-I1125 HydrophobicContact CG-CD1 4.16Å; R1122-I1125 HydrophobicContact CG-CG1 4.43Å; R1122-I1125 PolarHBondContact O-N 3.21Å; I1125-W1129 HydrophobicContact CD1-CE3 4.21Å; I1125-W1129 HydrophobicContact CD1-CH2 4.24Å; I1125-W1129 HydrophobicContact CD1-CZ3 3.56Å; I1125-W1129 HydrophobicContact CG2-CE3 4.26Å; I1125-W1129 HydrophobicContact CG2-CZ3 4.27Å | ||
| 1126 | V | 79.2 | Confident | 90.1 | Very high | 68 Ų | 68 | 27.9 Ų | 27.9 | 41% | 0.412 | 16% | 0.16 | S | C | . | . | trans | -73.1 | -43.1 | -169.8 | 178.3 | 0 | 0 | 0 | 0 | 114.2 | Q1121 Y1180 A1182 | Q1121-V1126 PolarHBondContact NE2-O 3.26Å; V1126-Y1180 WeakPolarHBondContact O-CE1 3.39Å; V1126-Y1180 PolarHBondContact O-OH 2.93Å; V1126-A1182 HydrophobicContact CG1-CB 3.41Å; V1126-A1182 VanDerWaalsContact CG1-CB 3.41Å; V1126-A1182 WeakPolarHBondContact CG1-O 3.49Å | ||
| 1127 | P | 83.5 | Confident | 88.7 | Confident | 82 Ų | 82 | 28.7 Ų | 28.7 | 53% | 0.532 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -65.5 | 155 | 178.2 | -23.9 | 35.4 | 0 | 0 | 0 | 114 | W1129 | P1127-W1129 PolarHBondContact O-N 2.86Š|
| 1128 | P | 87.5 | Confident | 87.2 | Confident | 16 Ų | 16 | 29.5 Ų | 29.5 | 10% | 0.104 | 17% | 0.171 | C | C | . | . | trans | -64.8 | 133.6 | 176 | 27.3 | -30.5 | 0 | 0 | 0 | 110.1 | V1119 Y1180 Y1249 L1293 | V1119-P1128 HydrophobicContact CG1-CB 3.47Å; V1119-P1128 VanDerWaalsContact CG1-CB 3.47Å; P1128-Y1180 HydrophobicContact CB-CD1 4.04Å; P1128-Y1180 HydrophobicContact CB-CE1 3.99Å; P1128-Y1180 HydrophobicContact CG-CD1 3.88Å; P1128-Y1180 HydrophobicContact CG-CE1 4.11Å; P1128-Y1249 HydrophobicContact CG-CD1 3.55Å; P1128-Y1249 HydrophobicContact CG-CD2 4.27Å; P1128-Y1249 HydrophobicContact CG-CE1 3.26Å; P1128-Y1249 HydrophobicContact CG-CE2 4.04Å; P1128-Y1249 HydrophobicContact CG-CG 4.04Å; P1128-L1293 HydrophobicContact CB-CD2 4.18Å; P1128-L1293 HydrophobicContact CG-CD2 4.22Å; P1128-L1293 WeakPolarHBondContact O-CD2 3.3Å | ||
| 1129 | W | 90.5 | Very high | 85.5 | Confident | 84 Ų | 84 | 31.2 Ų | 31.2 | 32% | 0.318 | 18% | 0.179 | S | C | . | . | trans | -88.3 | -47.6 | -174.4 | -165.3 | -96.1 | 0 | 0 | 0 | 111.6 | V1120 R1122 I1125 P1127 C1156 F1171 | V1120-W1129 WeakPolarHBondContact O-CA 3.29Å; V1120-W1129 WeakPolarHBondContact O-CB 3.29Å; V1120-W1129 PolarHBondContact O-N 3.27Å; R1122-W1129 HydrophobicContact CB-CD2 4.28Å; R1122-W1129 HydrophobicContact CB-CE3 4.18Å; I1125-W1129 HydrophobicContact CD1-CE3 4.21Å; I1125-W1129 HydrophobicContact CD1-CH2 4.24Å; I1125-W1129 HydrophobicContact CD1-CZ3 3.56Å; I1125-W1129 HydrophobicContact CG2-CE3 4.26Å; I1125-W1129 HydrophobicContact CG2-CZ3 4.27Å; P1127-W1129 PolarHBondContact O-N 2.86Å; W1129-C1156 PolarHBondContact NE1-O 3.49Å; W1129-F1171 AromaticContact CD1-CE1 3.86Å; W1129-F1171 HydrophobicContact CG-CE1 4.24Å; W1129-F1171 AromaticContact NE1-CE1 3.91Å | ||
| 1130 | C | 94.6 | Very high | 83.6 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 160.3 | 176.2 | -80 | 0 | 0 | 0 | 0 | 111.3 | V1120 C1156 L1295 | V1120-C1130 HydrophobicContact CB-CB 4.17Å; V1120-C1130 HydrophobicContact CG2-CB 4.46Å; V1120-C1130 PolarHBondContact N-O 3.3Å; V1120-C1130 PolarHBondContact O-N 2.87Å; C1130-C1156 HydrophobicContact CB-CB 3.87Å; C1130-C1156 WeakPolarHBondContact CB-SG 3.45Å; C1130-C1156 VanDerWaalsContact SG-CA 3.53Å; C1130-C1156 WeakPolarHBondContact SG-CB 3.35Å; C1130-C1156 CovalentContact SG-SG 2.02Å; C1130-C1156 PolarHBondContact SG-SG 2.92Å; C1130-L1295 VanDerWaalsContact SG-CD2 3.57Å |
| 1131 | L | 94.9 | Very high | 81.5 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 160.8 | 164.9 | -64.3 | 177.2 | 0 | 0 | 0 | 110.7 | V1118 V1119 T1152 S1247 I1256 L1295 G1296 | V1118-L1131 CarbonylContact O-C 3.56Å; V1119-L1131 HydrophobicContact CG2-CD2 4.29Å; L1131-T1152 PolarHBondContact O-OG1 3.16Å; L1131-S1247 WeakPolarHBondContact CD1-O 3.44Å; L1131-I1256 HydrophobicContact CD2-CD1 3.98Å; L1131-I1256 HydrophobicContact CD2-CG1 4.41Å; L1131-L1295 PolarHBondContact N-O 3.4Å; L1131-G1296 CarbonylContact C-O 3.56Å; L1131-G1296 CarbonylContact O-C 3.54Å; L1131-G1296 VanDerWaalsContact O-CA 3.3Å; L1131-G1296 WeakPolarHBondContact O-CA 3.35Å |
| 1132 | A | 95.8 | Very high | 79.5 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 169.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | V1118 V1120 V1150 L1151 | V1118-A1132 HydrophobicContact CB-CB 3.8Å; V1118-A1132 HydrophobicContact CG1-CB 3.99Å; V1118-A1132 PolarHBondContact N-O 2.93Å; V1118-A1132 PolarHBondContact O-N 3.36Å; V1120-A1132 HydrophobicContact CG2-CB 3.86Å; A1132-V1150 HydrophobicContact CB-CG1 3.61Å; A1132-L1151 CarbonylContact C-O 3.56Å; A1132-L1151 WeakPolarHBondContact CA-O 3.24Å; A1132-L1151 VanDerWaalsContact CB-O 3.23Å; A1132-L1151 WeakPolarHBondContact CB-O 3.43Å |
| 1133 | S | 95.5 | Very high | 78.1 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 141.9 | 178.4 | 52.3 | 0 | 0 | 0 | 0 | 111.8 | W1116 V1150 L1151 Q1309 | W1116-S1133 VanDerWaalsContact O-CA 3.31Å; W1116-S1133 WeakPolarHBondContact O-CA 3.01Å; S1133-V1150 CarbonylContact O-C 3.49Å; S1133-V1150 VanDerWaalsContact O-CA 3.31Å; S1133-V1150 WeakPolarHBondContact O-CA 3.19Å; S1133-L1151 PolarHBondContact N-O 3.4Å; S1133-L1151 PolarHBondContact O-N 3.24Å; S1133-Q1309 VanDerWaalsContact OG-CD 3.23Å; S1133-Q1309 PolarHBondContact OG-NE2 2.92Å; S1133-Q1309 VanDerWaalsContact OG-NE2 3.11Å; S1133-Q1309 PolarHBondContact OG-OE1 3.35Å |
| 1134 | I | 93.8 | Very high | 77.2 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 130.3 | 171.8 | -165 | 171.7 | 0 | 0 | 0 | 110.4 | W1116 V1118 V1175 V1220 F1222 V1226 R1227 P1228 I1229 | W1116-I1134 HydrophobicContact CB-CG2 3.79Å; W1116-I1134 PolarHBondContact O-N 3.15Å; V1118-I1134 HydrophobicContact CG2-CB 4.15Å; I1134-V1175 HydrophobicContact CD1-CG1 4.34Å; I1134-V1220 HydrophobicContact CD1-CB 3.8Å; I1134-V1220 HydrophobicContact CD1-CG1 3.94Å; I1134-V1220 HydrophobicContact CD1-CG2 4.08Å; I1134-F1222 HydrophobicContact CD1-CE1 4.27Å; I1134-V1226 HydrophobicContact CD1-CG1 4.39Å; I1134-R1227 VanDerWaalsContact CG2-O 3.23Å; I1134-R1227 WeakPolarHBondContact CG2-O 3.32Å; I1134-P1228 WeakPolarHBondContact O-CA 3.45Å; I1134-I1229 PolarHBondContact O-N 2.88Å |
| 1135 | V | 90.6 | Very high | 76.9 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 155.8 | -174.8 | -62.9 | 0 | 0 | 0 | 0 | 110.8 | S1147 Y1149 L1151 I1229 L1231 F1344 | V1135-S1147 WeakPolarHBondContact O-CB 2.98Å; V1135-S1147 PolarHBondContact O-OG 3.47Å; V1135-Y1149 PolarHBondContact N-O 3.34Å; V1135-Y1149 VanDerWaalsContact N-O 3.09Å; V1135-L1151 HydrophobicContact CG1-CB 4.43Å; V1135-L1151 HydrophobicContact CG1-CD1 3.73Å; V1135-L1151 HydrophobicContact CG1-CG 3.83Å; V1135-L1151 HydrophobicContact CG2-CD1 4.48Å; V1135-L1151 HydrophobicContact CG2-CG 4.02Å; V1135-I1229 HydrophobicContact CG1-CG2 3.84Å; V1135-L1231 HydrophobicContact CB-CD1 4.28Å; V1135-L1231 HydrophobicContact CB-CG 4.37Å; V1135-L1231 HydrophobicContact CG1-CD2 3.98Å; V1135-L1231 HydrophobicContact CG1-CG 4.28Å; V1135-L1231 HydrophobicContact CG2-CD1 4.44Å; V1135-F1344 HydrophobicContact CG2-CE2 4.45Å; V1135-F1344 HydrophobicContact CG2-CZ 4.21Å |
| 1136 | Q | 77.8 | Confident | 76.9 | Confident | 7 Ų | 7 | 43.5 Ų | 43.5 | 3% | 0.033 | 23% | 0.228 | C | C | . | . | trans | -105.7 | 127.7 | 174.2 | -166.2 | 169.9 | -57.7 | 0 | 0 | 109.9 | T1088 C1090 D1138 T1142 S1144 P1228 | T1088-Q1136 PolarHBondContact O-OE1 3.42Å; C1090-Q1136 HydrophobicContact CB-CB 4.37Å; Q1136-D1138 WeakPolarHBondContact CG-O 3.46Å; Q1136-D1138 PolarHBondContact NE2-O 3.3Å; Q1136-T1142 PolarHBondContact NE2-O 2.95Å; Q1136-S1144 PolarHBondContact NE2-OG 3.04Å; Q1136-S1144 PolarHBondContact OE1-OG 3.25Å; Q1136-P1228 HydrophobicContact CB-CB 3.91Å; Q1136-P1228 HydrophobicContact CB-CG 4.1Å | ||
| 1137 | A | 64.1 | Low | 77.4 | Confident | 17 Ų | 17 | 40.6 Ų | 40.6 | 14% | 0.14 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -70.1 | -38.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y1149 F1344 | A1137-Y1149 HydrophobicContact CB-CD2 3.93Å; A1137-Y1149 HydrophobicContact CB-CE2 3.88Å; A1137-F1344 HydrophobicContact CB-CB 4.32Å; A1137-F1344 HydrophobicContact CB-CD1 4.16Å |
| 1138 | D | 60.8 | Low | 77.7 | Confident | 19 Ų | 19 | 40.6 Ų | 40.6 | 10% | 0.102 | 20% | 0.2 | C | C | . | . | trans | -98.3 | 110.1 | 176.2 | -177.5 | 0 | 0 | 0 | 0 | 110.5 | Q1136 Y1140 T1141 T1142 | Q1136-D1138 WeakPolarHBondContact CG-O 3.46Å; Q1136-D1138 PolarHBondContact NE2-O 3.3Å; D1138-Y1140 PolarHBondContact OD1-N 2.98Å; D1138-Y1140 VanDerWaalsContact OD1-N 3.08Å; D1138-T1141 WeakPolarHBondContact OD1-CA 3.48Å; D1138-T1141 PolarHBondContact OD1-N 3.48Å; D1138-T1141 PolarHBondContact OD1-OG1 3.35Å; D1138-T1141 WeakPolarHBondContact OD2-CB 3.42Å; D1138-T1141 PolarHBondContact OD2-OG1 3.22Å; D1138-T1142 PolarHBondContact OD1-N 2.94Å; D1138-T1142 WeakPolarHBondContact OD2-CB 3.35Å; D1138-T1142 PolarHBondContact OD2-N 3.29Å; D1138-T1142 PolarHBondContact OD2-OG1 3.48Å | ||
| 1139 | Q | 58.2 | Low | 77.9 | Confident | 37 Ų | 37 | 43 Ų | 43 | 17% | 0.173 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -104.6 | -14.8 | 178.2 | -62.7 | -175.9 | 63.1 | 0 | 0 | 113.9 | L1231 | Q1139-L1231 VanDerWaalsContact NE2-CB 3.32Å; Q1139-L1231 PolarHBondContact NE2-O 3.31Å; Q1139-L1231 VanDerWaalsContact OE1-N 3.13Å; Q1139-L1231 PolarHBondContact OE1-O 3.02Å |
| 1140 | Y | 53.3 | Low | 78.1 | Confident | 159 Ų | 159 | 39 Ų | 39 | 62% | 0.624 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -118.5 | -26.1 | -166.5 | -61.6 | -72.3 | 0 | 0 | 0 | 112.8 | D1138 P1233 | D1138-Y1140 PolarHBondContact OD1-N 2.98Å; D1138-Y1140 VanDerWaalsContact OD1-N 3.08Å; Y1140-P1233 WeakPolarHBondContact OH-CB 3.44Å; Y1140-P1233 VanDerWaalsContact OH-CG 3.28Å; Y1140-P1233 WeakPolarHBondContact OH-CG 3.3Å |
| 1141 | T | 50.6 | Low | 78.1 | Confident | 112 Ų | 112 | 39 Ų | 39 | 69% | 0.687 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -109.6 | -30.7 | -170.9 | 48.8 | 0 | 0 | 0 | 0 | 114.4 | D1138 | D1138-T1141 WeakPolarHBondContact OD1-CA 3.48Å; D1138-T1141 PolarHBondContact OD1-N 3.48Å; D1138-T1141 PolarHBondContact OD1-OG1 3.35Å; D1138-T1141 WeakPolarHBondContact OD2-CB 3.42Å; D1138-T1141 PolarHBondContact OD2-OG1 3.22Å |
| 1142 | T | 51 | Low | 78.1 | Confident | 84 Ų | 84 | 39 Ų | 39 | 52% | 0.515 | 19% | 0.192 | S | C | . | . | trans | -145.9 | 132.9 | -177.8 | 63.2 | 0 | 0 | 0 | 0 | 113.9 | Q1136 D1138 | Q1136-T1142 PolarHBondContact NE2-O 2.95Å; D1138-T1142 PolarHBondContact OD1-N 2.94Å; D1138-T1142 WeakPolarHBondContact OD2-CB 3.35Å; D1138-T1142 PolarHBondContact OD2-N 3.29Å; D1138-T1142 PolarHBondContact OD2-OG1 3.48Å | ||
| 1143 | Q | 61 | Low | 78.1 | Confident | 74 Ų | 74 | 39 Ų | 39 | 35% | 0.346 | 19% | 0.192 | S | C | . | . | trans | -67 | 130.7 | 160.4 | -56.6 | -176.1 | 32.2 | 0 | 0 | 107.4 | E923 A1087 K1089 | E923-Q1143 PolarHBondContact OE1-NE2 3.04Å; A1087-Q1143 HydrophobicContact CB-CB 3.51Å; A1087-Q1143 PolarHBondContact O-OE1 3.34Å; K1089-Q1143 HydrophobicContact CG-CG 4.09Å | ||
| 1144 | S | 69.6 | Low | 77.9 | Confident | 20 Ų | 20 | 39 Ų | 39 | 14% | 0.14 | 19% | 0.192 | C | C | . | . | B | Isolated β-bridge | trans | -116.2 | 153.5 | -178.8 | 80.1 | 0 | 0 | 0 | 0 | 110.6 | T1088 Q1136 H1146 F1222 | T1088-S1144 PolarHBondContact N-O 3.5Å; Q1136-S1144 PolarHBondContact NE2-OG 3.04Å; Q1136-S1144 PolarHBondContact OE1-OG 3.25Å; S1144-H1146 PolarHBondContact OG-O 3.04Å; S1144-F1222 VanDerWaalsContact O-CD2 3.24Å; S1144-F1222 WeakPolarHBondContact O-CD2 3.23Å; S1144-F1222 VanDerWaalsContact O-CE2 3.28Å; S1144-F1222 WeakPolarHBondContact O-CE2 3.38Å; S1144-F1222 WeakPolarHBondContact OG-CE2 3.4Å |
| 1145 | N | 78.9 | Confident | 77.8 | Confident | 53 Ų | 53 | 39.5 Ų | 39.5 | 28% | 0.283 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -99 | -2.2 | 176.2 | 63.8 | -21.4 | 0 | 0 | 0 | 112.3 | S1083 F1222 | S1083-N1145 PolarHBondContact OG-ND2 3.14Å; N1145-F1222 PolarHBondContact O-N 3.35Å |
| 1146 | H | 83.6 | Confident | 77.9 | Confident | 81 Ų | 81 | 39.5 Ų | 39.5 | 38% | 0.375 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 158 | -178.6 | 66.8 | -87.2 | 0 | 0 | 0 | 113.2 | S1144 P1219 V1220 | S1144-H1146 PolarHBondContact OG-O 3.04Å; H1146-P1219 HydrophobicContact CB-CB 4.09Å; H1146-P1219 WeakPolarHBondContact CD2-CB 3.45Å; H1146-V1220 CarbonylContact C-O 3.59Å; H1146-V1220 WeakPolarHBondContact CA-O 3.45Å; H1146-V1220 VanDerWaalsContact CB-O 3.3Å; H1146-V1220 WeakPolarHBondContact CB-O 3.34Å |
| 1147 | S | 89.4 | Confident | 78.6 | Confident | 6 Ų | 6 | 39.2 Ų | 39.2 | 4% | 0.042 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 150.9 | 168.6 | 176.2 | 0 | 0 | 0 | 0 | 112.2 | V1135 Y1149 V1220 | V1135-S1147 WeakPolarHBondContact O-CB 2.98Å; V1135-S1147 PolarHBondContact O-OG 3.47Å; S1147-Y1149 PolarHBondContact OG-N 3.4Å; S1147-Y1149 VanDerWaalsContact OG-N 3.08Å; S1147-V1220 PolarHBondContact N-O 3.06Å; S1147-V1220 WeakPolarHBondContact O-CB 3.39Å; S1147-V1220 PolarHBondContact O-N 3.12Å |
| 1148 | R | 90.2 | Very high | 79.7 | Confident | 82 Ų | 82 | 41.1 Ų | 41.1 | 31% | 0.309 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 1.2 | 173.4 | -67.5 | 178.2 | 90.7 | 145 | -3.9 | 112.9 | E1193 Q1215 L1216 K1217 P1219 | R1148-E1193 IonicContact NH2-OE2 3.2Å; R1148-Q1215 CarbonylContact O-C 3.43Å; R1148-Q1215 WeakPolarHBondContact O-CA 3.45Å; R1148-L1216 PolarHBondContact NE-O 3.43Å; R1148-L1216 PolarHBondContact NH2-O 2.96Å; R1148-L1216 PolarHBondContact O-N 3.3Å; R1148-K1217 VanDerWaalsContact NH2-C 3.32Å; R1148-K1217 PolarHBondContact NH2-O 3.44Å; R1148-P1219 HydrophobicContact CG-CB 3.77Å |
| 1149 | Y | 91.7 | Very high | 80.6 | Confident | 67 Ų | 67 | 41.3 Ų | 41.3 | 26% | 0.263 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 131.3 | -166.5 | -61.3 | -63.5 | 0 | 0 | 0 | 112.8 | V1135 A1137 S1147 L1214 Q1215 F1344 | V1135-Y1149 PolarHBondContact N-O 3.34Å; V1135-Y1149 VanDerWaalsContact N-O 3.09Å; A1137-Y1149 HydrophobicContact CB-CD2 3.93Å; A1137-Y1149 HydrophobicContact CB-CE2 3.88Å; S1147-Y1149 PolarHBondContact OG-N 3.4Å; S1147-Y1149 VanDerWaalsContact OG-N 3.08Å; Y1149-L1214 WeakPolarHBondContact CA-O 3.27Å; Y1149-Q1215 HydrophobicContact CD1-CB 4.34Å; Y1149-Q1215 HydrophobicContact CD1-CG 4.5Å; Y1149-Q1215 HydrophobicContact CE1-CB 4.22Å; Y1149-Q1215 HydrophobicContact CE1-CG 4.11Å; Y1149-F1344 HydrophobicContact CD1-CD1 4.39Å; Y1149-F1344 AromaticContact CD1-CE1 3.52Å; Y1149-F1344 HydrophobicContact CD1-CE1 3.52Å; Y1149-F1344 HydrophobicContact CD1-CZ 4.36Å; Y1149-F1344 HydrophobicContact CD2-CD1 4.29Å; Y1149-F1344 AromaticContact CD2-CE1 3.94Å; Y1149-F1344 HydrophobicContact CD2-CE1 3.94Å; Y1149-F1344 HydrophobicContact CE1-CD1 4.49Å; Y1149-F1344 AromaticContact CE1-CE1 3.97Å; Y1149-F1344 HydrophobicContact CE1-CE1 3.97Å; Y1149-F1344 HydrophobicContact CE2-CD1 4.41Å; Y1149-F1344 HydrophobicContact CE2-CE1 4.36Å; Y1149-F1344 HydrophobicContact CG-CD1 4.26Å; Y1149-F1344 AromaticContact CG-CE1 3.47Å; Y1149-F1344 HydrophobicContact CG-CE1 3.47Å; Y1149-F1344 VanDerWaalsContact CG-CE1 3.47Å; Y1149-F1344 HydrophobicContact CG-CZ 4.22Å |
| 1150 | V | 94.1 | Very high | 81.3 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 135.3 | -178.6 | 174.6 | 0 | 0 | 0 | 0 | 109.7 | V1118 A1132 S1133 L1214 L1216 | V1118-V1150 HydrophobicContact CB-CG1 4.3Å; V1118-V1150 HydrophobicContact CG1-CG1 3.98Å; V1118-V1150 HydrophobicContact CG2-CG1 4.46Å; V1118-V1150 HydrophobicContact CG2-CG2 4.49Å; A1132-V1150 HydrophobicContact CB-CG1 3.61Å; S1133-V1150 CarbonylContact O-C 3.49Å; S1133-V1150 VanDerWaalsContact O-CA 3.31Å; S1133-V1150 WeakPolarHBondContact O-CA 3.19Å; V1150-L1214 HydrophobicContact CB-CB 4.28Å; V1150-L1214 HydrophobicContact CG1-CD1 4.39Å; V1150-L1214 PolarHBondContact N-O 3.23Å; V1150-L1214 PolarHBondContact O-N 2.83Å; V1150-L1216 HydrophobicContact CG2-CD1 4Å; V1150-L1216 HydrophobicContact CG2-CG 4.34Å |
| 1151 | L | 94.4 | Very high | 82.2 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 138.7 | 174.5 | -69 | -173.4 | 0 | 0 | 0 | 111.7 | A1132 S1133 V1135 I1211 V1213 L1231 V1337 F1344 | A1132-L1151 CarbonylContact C-O 3.56Å; A1132-L1151 WeakPolarHBondContact CA-O 3.24Å; A1132-L1151 VanDerWaalsContact CB-O 3.23Å; A1132-L1151 WeakPolarHBondContact CB-O 3.43Å; S1133-L1151 PolarHBondContact N-O 3.4Å; S1133-L1151 PolarHBondContact O-N 3.24Å; V1135-L1151 HydrophobicContact CG1-CB 4.43Å; V1135-L1151 HydrophobicContact CG1-CD1 3.73Å; V1135-L1151 HydrophobicContact CG1-CG 3.83Å; V1135-L1151 HydrophobicContact CG2-CD1 4.48Å; V1135-L1151 HydrophobicContact CG2-CG 4.02Å; L1151-I1211 HydrophobicContact CD2-CG2 4.21Å; L1151-V1213 HydrophobicContact CD2-CB 4.33Å; L1151-V1213 HydrophobicContact CD2-CG2 3.54Å; L1151-L1231 HydrophobicContact CD1-CD1 4.43Å; L1151-L1231 HydrophobicContact CD1-CD2 3.5Å; L1151-L1231 VanDerWaalsContact CD1-CD2 3.5Å; L1151-V1337 HydrophobicContact CD1-CG1 4.17Å; L1151-F1344 HydrophobicContact CD2-CE2 4.17Å; L1151-F1344 HydrophobicContact CD2-CZ 4.4Å |
| 1152 | T | 96.2 | Very high | 83.3 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 179.4 | 173.5 | -169.4 | 0 | 0 | 0 | 0 | 111.3 | V1120 L1131 F1157 I1211 A1212 L1214 | V1120-T1152 HydrophobicContact CG2-CG2 4.46Å; L1131-T1152 PolarHBondContact O-OG1 3.16Å; T1152-F1157 HydrophobicContact CG2-CE2 3.64Å; T1152-F1157 HydrophobicContact CG2-CZ 4.12Å; T1152-I1211 WeakPolarHBondContact O-CG2 3.32Å; T1152-A1212 HydrophobicContact CG2-CB 3.91Å; T1152-A1212 PolarHBondContact N-O 2.99Å; T1152-A1212 PolarHBondContact O-N 2.95Å; T1152-L1214 HydrophobicContact CG2-CD1 4.12Å |
| 1153 | A | 95.5 | Very high | 84.3 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 140.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | D1155 C1156 L1295 V1312 T1314 | A1153-D1155 PolarHBondContact O-N 2.96Å; A1153-C1156 VanDerWaalsContact O-CB 3.26Å; A1153-C1156 WeakPolarHBondContact O-CB 3.45Å; A1153-C1156 PolarHBondContact O-N 3.09Å; A1153-C1156 PolarHBondContact O-SG 3.09Å; A1153-C1156 VanDerWaalsContact O-SG 3.4Å; A1153-L1295 HydrophobicContact CB-CD1 3.92Å; A1153-L1295 HydrophobicContact CB-CG 4.3Å; A1153-V1312 HydrophobicContact CB-CG1 4.07Å; A1153-T1314 HydrophobicContact CB-CG2 4.04Å |
| 1154 | G | 92 | Very high | 85.1 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -61 | -33.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | C1156 F1157 L1197 G1210 | G1154-C1156 PolarHBondContact O-N 3.12Å; G1154-F1157 PolarHBondContact O-N 3.08Å; G1154-L1197 VanDerWaalsContact CA-CD2 3.48Å; G1154-G1210 PolarHBondContact N-O 2.78Å |
| 1155 | D | 91.6 | Very high | 85.7 | Confident | 11 Ų | 11 | 59.2 Ų | 59.2 | 6% | 0.059 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -64.8 | -19.1 | -180 | -148.5 | 50 | 0 | 0 | 0 | 113.2 | A1153 F1157 R1158 Y1160 H1209 | A1153-D1155 PolarHBondContact O-N 2.96Å; D1155-F1157 PolarHBondContact O-N 2.82Å; D1155-F1157 VanDerWaalsContact O-N 3.12Å; D1155-R1158 WeakPolarHBondContact O-CB 3.37Å; D1155-R1158 PolarHBondContact O-N 3.17Å; D1155-R1158 VanDerWaalsContact O-N 3.08Å; D1155-R1158 VanDerWaalsContact OD1-CD 3.22Å; D1155-R1158 WeakPolarHBondContact OD1-CD 3.32Å; D1155-R1158 IonicContact OD1-NH1 2.73Å; D1155-Y1160 PolarHBondContact OD2-OH 3.42Å; D1155-H1209 IonicContact OD1-CE1 3.6Å; D1155-H1209 PolarHBondContact OD1-CE1 3.48Å; D1155-H1209 IonicContact OD1-CG 2.85Å; D1155-H1209 IonicContact OD1-ND1 3.24Å; D1155-H1209 PolarHBondContact OD1-ND1 3.38Å |
| 1156 | C | 92.8 | Very high | 86 | Confident | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.007 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -58 | -27.2 | 174.8 | -66.9 | 0 | 0 | 0 | 0 | 113.7 | W1129 C1130 A1153 G1154 | W1129-C1156 PolarHBondContact NE1-O 3.49Å; C1130-C1156 HydrophobicContact CB-CB 3.87Å; C1130-C1156 WeakPolarHBondContact CB-SG 3.45Å; C1130-C1156 VanDerWaalsContact SG-CA 3.53Å; C1130-C1156 WeakPolarHBondContact SG-CB 3.35Å; C1130-C1156 CovalentContact SG-SG 2.02Å; C1130-C1156 PolarHBondContact SG-SG 2.92Å; A1153-C1156 VanDerWaalsContact O-CB 3.26Å; A1153-C1156 WeakPolarHBondContact O-CB 3.45Å; A1153-C1156 PolarHBondContact O-N 3.09Å; A1153-C1156 PolarHBondContact O-SG 3.09Å; A1153-C1156 VanDerWaalsContact O-SG 3.4Å; G1154-C1156 PolarHBondContact O-N 3.12Å |
| 1157 | F | 92.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -102.1 | 2.5 | -177.8 | -57 | -79 | 0 | 0 | 0 | 112.7 | V1120 T1152 G1154 D1155 N1159 F1165 S1166 F1168 F1171 A1212 L1214 | V1120-F1157 HydrophobicContact CG1-CE1 4.46Å; V1120-F1157 HydrophobicContact CG1-CZ 4.36Å; T1152-F1157 HydrophobicContact CG2-CE2 3.64Å; T1152-F1157 HydrophobicContact CG2-CZ 4.12Å; G1154-F1157 PolarHBondContact O-N 3.08Å; D1155-F1157 PolarHBondContact O-N 2.82Å; D1155-F1157 VanDerWaalsContact O-N 3.12Å; F1157-N1159 PolarHBondContact O-N 3.22Å; F1157-F1165 HydrophobicContact CB-CD1 4.15Å; F1157-F1165 WeakPolarHBondContact O-CA 3.5Å; F1157-S1166 PolarHBondContact O-N 3.09Å; F1157-F1168 HydrophobicContact CB-CE1 4.42Å; F1157-F1168 AromaticContact CD1-CD1 3.67Å; F1157-F1168 HydrophobicContact CD1-CD1 3.67Å; F1157-F1168 HydrophobicContact CD1-CE1 4.04Å; F1157-F1168 HydrophobicContact CD2-CD1 4.16Å; F1157-F1168 AromaticContact CD2-CE1 3.75Å; F1157-F1168 HydrophobicContact CD2-CE1 3.75Å; F1157-F1168 AromaticContact CE1-CD1 3.69Å; F1157-F1168 HydrophobicContact CE1-CD1 3.69Å; F1157-F1168 HydrophobicContact CE1-CE1 4.27Å; F1157-F1168 HydrophobicContact CE2-CD1 4.16Å; F1157-F1168 AromaticContact CE2-CE1 3.98Å; F1157-F1168 HydrophobicContact CE2-CE1 3.98Å; F1157-F1168 AromaticContact CG-CD1 3.92Å; F1157-F1168 HydrophobicContact CG-CD1 3.92Å; F1157-F1168 AromaticContact CG-CE1 3.78Å; F1157-F1168 HydrophobicContact CG-CE1 3.78Å; F1157-F1168 AromaticContact CZ-CD1 3.95Å; F1157-F1168 HydrophobicContact CZ-CD1 3.95Å; F1157-F1168 HydrophobicContact CZ-CE1 4.25Å; F1157-F1171 HydrophobicContact CD1-CD1 4.47Å; F1157-F1171 AromaticContact CD1-CD2 3.65Å; F1157-F1171 HydrophobicContact CD1-CD2 3.65Å; F1157-F1171 HydrophobicContact CD1-CE1 4.42Å; F1157-F1171 AromaticContact CD1-CE2 3.61Å; F1157-F1171 HydrophobicContact CD1-CE2 3.61Å; F1157-F1171 HydrophobicContact CD1-CG 4.11Å; F1157-F1171 HydrophobicContact CD1-CZ 4.01Å; F1157-F1171 HydrophobicContact CE1-CB 4.16Å; F1157-F1171 HydrophobicContact CE1-CD1 4.2Å; F1157-F1171 AromaticContact CE1-CD2 3.73Å; F1157-F1171 HydrophobicContact CE1-CD2 3.73Å; F1157-F1171 HydrophobicContact CE1-CE2 4.15Å; F1157-F1171 AromaticContact CE1-CG 3.77Å; F1157-F1171 HydrophobicContact CE1-CG 3.77Å; F1157-A1212 HydrophobicContact CD2-CB 3.97Å; F1157-A1212 HydrophobicContact CE2-CB 3.66Å; F1157-L1214 HydrophobicContact CE1-CD2 4.46Å; F1157-L1214 HydrophobicContact CE2-CD2 3.99Å; F1157-L1214 HydrophobicContact CZ-CD1 3.87Å; F1157-L1214 HydrophobicContact CZ-CD2 3.67Å; F1157-L1214 HydrophobicContact CZ-CG 4.33Å |
| 1158 | R | 85.7 | Confident | 86.3 | Confident | 58 Ų | 58 | 57.9 Ų | 57.9 | 22% | 0.219 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 128.6 | 178.4 | -172.4 | -178.2 | -173.5 | 176.9 | 5 | 110.1 | D1155 D1205 H1209 | D1155-R1158 WeakPolarHBondContact O-CB 3.37Å; D1155-R1158 PolarHBondContact O-N 3.17Å; D1155-R1158 VanDerWaalsContact O-N 3.08Å; D1155-R1158 VanDerWaalsContact OD1-CD 3.22Å; D1155-R1158 WeakPolarHBondContact OD1-CD 3.32Å; D1155-R1158 IonicContact OD1-NH1 2.73Å; R1158-D1205 IonicContact CZ-OD2 3.79Å; R1158-D1205 IonicContact NH1-OD2 3.19Å; R1158-D1205 IonicContact NH2-OD2 2.76Å; R1158-D1205 PolarHBondContact NH2-OD2 3.44Å; R1158-H1209 VanDerWaalsContact CD-CE1 3.48Å; R1158-H1209 WeakPolarHBondContact CD-CE1 3.47Å; R1158-H1209 PolarHBondContact NH1-CE1 3.15Å |
| 1159 | N | 80.9 | Confident | 86.2 | Confident | 22 Ų | 22 | 57.2 Ų | 57.2 | 12% | 0.118 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 106.3 | 167.5 | -169.5 | -35.1 | 0 | 0 | 0 | 109.2 | F1157 V1161 L1162 K1163 R1164 | F1157-N1159 PolarHBondContact O-N 3.22Å; N1159-V1161 PolarHBondContact O-N 3.14Å; N1159-V1161 WeakPolarHBondContact OD1-CB 3.49Å; N1159-V1161 PolarHBondContact OD1-N 3.12Å; N1159-L1162 HydrophobicContact CB-CB 4.33Å; N1159-L1162 PolarHBondContact OD1-N 3.35Å; N1159-L1162 VanDerWaalsContact OD1-N 3.11Å; N1159-K1163 WeakPolarHBondContact O-CA 3.23Å; N1159-K1163 PolarHBondContact O-N 3.19Å; N1159-R1164 WeakPolarHBondContact CB-O 3.42Å; N1159-R1164 PolarHBondContact N-O 3.39Å |
| 1160 | Y | 72.6 | Confident | 86.2 | Confident | 151 Ų | 151 | 58.9 Ų | 58.9 | 59% | 0.592 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -27.8 | 179.4 | -63.7 | -80.6 | 0 | 0 | 0 | 113.1 | D1155 | D1155-Y1160 PolarHBondContact OD2-OH 3.42Š|
| 1161 | V | 73.2 | Confident | 86.2 | Confident | 133 Ų | 133 | 59 Ų | 59 | 81% | 0.806 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -47.4 | -179.1 | -174.9 | 0 | 0 | 0 | 0 | 111 | N1159 | N1159-V1161 PolarHBondContact O-N 3.14Å; N1159-V1161 WeakPolarHBondContact OD1-CB 3.49Å; N1159-V1161 PolarHBondContact OD1-N 3.12Å |
| 1162 | L | 72.7 | Confident | 86.2 | Confident | 121 Ų | 121 | 59.1 Ų | 59.1 | 63% | 0.634 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -6.2 | -176.7 | -66.4 | 175.9 | 0 | 0 | 0 | 114.2 | N1159 R1164 | N1159-L1162 HydrophobicContact CB-CB 4.33Å; N1159-L1162 PolarHBondContact OD1-N 3.35Å; N1159-L1162 VanDerWaalsContact OD1-N 3.11Å; L1162-R1164 PolarHBondContact O-N 2.94Å |
| 1163 | K | 71.9 | Confident | 86.1 | Confident | 192 Ų | 192 | 59.1 Ų | 59.1 | 84% | 0.835 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 29.6 | -171.3 | -61.9 | -175.6 | 179 | 179.6 | 0 | 113.5 | N1159 | N1159-K1163 WeakPolarHBondContact O-CA 3.23Å; N1159-K1163 PolarHBondContact O-N 3.19Å |
| 1164 | R | 77.5 | Confident | 86 | Confident | 196 Ų | 196 | 60.2 Ų | 60.2 | 74% | 0.74 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 159.6 | 177.7 | -71.4 | -175.6 | -178.3 | -180 | 1.3 | 110 | N1159 L1162 | N1159-R1164 WeakPolarHBondContact CB-O 3.42Å; N1159-R1164 PolarHBondContact N-O 3.39Å; L1162-R1164 PolarHBondContact O-N 2.94Å |
| 1165 | F | 82.2 | Confident | 86 | Confident | 70 Ų | 70 | 60.3 Ų | 60.3 | 31% | 0.307 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 132.9 | 171.9 | -74.4 | -89.9 | 0 | 0 | 0 | 109.9 | F1157 L1197 H1209 | F1157-F1165 HydrophobicContact CB-CD1 4.15Å; F1157-F1165 WeakPolarHBondContact O-CA 3.5Å; F1165-L1197 HydrophobicContact CD1-CD1 3.55Å; F1165-L1197 HydrophobicContact CD2-CD1 4.31Å; F1165-L1197 HydrophobicContact CE1-CD1 3.69Å; F1165-L1197 HydrophobicContact CE1-CD2 4.35Å; F1165-L1197 HydrophobicContact CE2-CD1 4.44Å; F1165-L1197 HydrophobicContact CG-CD1 3.87Å; F1165-L1197 HydrophobicContact CZ-CD1 4.15Å; F1165-H1209 HydrophobicContact CZ-CB 4.31Å; F1165-H1209 AromaticContact CZ-CD2 3.7Å; F1165-H1209 AromaticContact CZ-CG 3.88Å |
| 1166 | S | 86.6 | Confident | 85.6 | Confident | 15 Ų | 15 | 60.3 Ų | 60.3 | 11% | 0.105 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 141 | 172.8 | -61 | 0 | 0 | 0 | 0 | 109.3 | F1157 F1168 | F1157-S1166 PolarHBondContact O-N 3.09Å; S1166-F1168 PolarHBondContact O-N 2.59Å |
| 1167 | S | 88.6 | Confident | 85.3 | Confident | 60 Ų | 60 | 60.4 Ų | 60.4 | 42% | 0.42 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 135 | 173.4 | 177.7 | 0 | 0 | 0 | 0 | 110.6 | T1169 H1170 | S1167-T1169 PolarHBondContact O-N 2.93Å; S1167-T1169 VanDerWaalsContact O-N 3.14Å; S1167-T1169 PolarHBondContact OG-OG1 3.42Å; S1167-H1170 WeakPolarHBondContact O-CB 3.28Å; S1167-H1170 PolarHBondContact O-N 3.35Å; S1167-H1170 PolarHBondContact O-ND1 3.41Å |
| 1168 | F | 89.3 | Confident | 84.7 | Confident | 36 Ų | 36 | 63 Ų | 63 | 16% | 0.158 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -57.1 | -28.3 | 179 | -59.5 | -69 | 0 | 0 | 0 | 112.7 | F1157 S1166 H1170 F1171 I1192 G1195 L1197 L1214 | F1157-F1168 HydrophobicContact CB-CE1 4.42Å; F1157-F1168 AromaticContact CD1-CD1 3.67Å; F1157-F1168 HydrophobicContact CD1-CD1 3.67Å; F1157-F1168 HydrophobicContact CD1-CE1 4.04Å; F1157-F1168 HydrophobicContact CD2-CD1 4.16Å; F1157-F1168 AromaticContact CD2-CE1 3.75Å; F1157-F1168 HydrophobicContact CD2-CE1 3.75Å; F1157-F1168 AromaticContact CE1-CD1 3.69Å; F1157-F1168 HydrophobicContact CE1-CD1 3.69Å; F1157-F1168 HydrophobicContact CE1-CE1 4.27Å; F1157-F1168 HydrophobicContact CE2-CD1 4.16Å; F1157-F1168 AromaticContact CE2-CE1 3.98Å; F1157-F1168 HydrophobicContact CE2-CE1 3.98Å; F1157-F1168 AromaticContact CG-CD1 3.92Å; F1157-F1168 HydrophobicContact CG-CD1 3.92Å; F1157-F1168 AromaticContact CG-CE1 3.78Å; F1157-F1168 HydrophobicContact CG-CE1 3.78Å; F1157-F1168 AromaticContact CZ-CD1 3.95Å; F1157-F1168 HydrophobicContact CZ-CD1 3.95Å; F1157-F1168 HydrophobicContact CZ-CE1 4.25Å; S1166-F1168 PolarHBondContact O-N 2.59Å; F1168-H1170 PolarHBondContact O-N 2.9Å; F1168-F1171 WeakPolarHBondContact O-CB 3.35Å; F1168-F1171 PolarHBondContact O-N 2.8Å; F1168-I1192 HydrophobicContact CB-CG2 4.05Å; F1168-G1195 WeakPolarHBondContact CE2-O 3.4Å; F1168-L1197 HydrophobicContact CZ-CD1 4.4Å; F1168-L1197 HydrophobicContact CZ-CG 4.12Å; F1168-L1214 HydrophobicContact CD1-CD2 3.65Å; F1168-L1214 HydrophobicContact CE1-CD2 3.95Å; F1168-L1214 HydrophobicContact CG-CD2 4.39Å |
| 1169 | T | 87.7 | Confident | 84.4 | Confident | 69 Ų | 69 | 67 Ų | 67 | 42% | 0.423 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -64.8 | -19.1 | 178.5 | 60.4 | 0 | 0 | 0 | 0 | 114.1 | K1123 S1167 F1171 | K1123-T1169 WeakPolarHBondContact CE-O 3.29Å; K1123-T1169 PolarHBondContact NZ-O 3.36Å; S1167-T1169 PolarHBondContact O-N 2.93Å; S1167-T1169 VanDerWaalsContact O-N 3.14Å; S1167-T1169 PolarHBondContact OG-OG1 3.42Å; T1169-F1171 PolarHBondContact O-N 3.29Å |
| 1170 | H | 91.9 | Very high | 84.3 | Confident | 102 Ų | 102 | 66.2 Ų | 66.2 | 47% | 0.472 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -74.2 | -5.7 | 171.4 | -63.8 | 120 | 0 | 0 | 0 | 113.3 | K1123 S1167 F1168 | K1123-H1170 WeakPolarHBondContact CB-O 3.47Å; K1123-H1170 VanDerWaalsContact CG-O 3.31Å; K1123-H1170 WeakPolarHBondContact CG-O 3.11Å; K1123-H1170 PolarHBondContact N-O 3.19Å; S1167-H1170 WeakPolarHBondContact O-CB 3.28Å; S1167-H1170 PolarHBondContact O-N 3.35Å; S1167-H1170 PolarHBondContact O-ND1 3.41Å; F1168-H1170 PolarHBondContact O-N 2.9Å |
| 1171 | F | 94.7 | Very high | 84.5 | Confident | 1 Ų | 1 | 60.7 Ų | 60.7 | 0% | 0.004 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 159.8 | 179.8 | -59.4 | -99.3 | 0 | 0 | 0 | 110 | V1120 Q1121 R1122 W1129 F1157 F1168 T1169 I1192 | V1120-F1171 HydrophobicContact CG1-CB 4.27Å; V1120-F1171 HydrophobicContact CG1-CD1 3.99Å; V1120-F1171 HydrophobicContact CG1-CG 4.47Å; Q1121-F1171 WeakPolarHBondContact O-CA 3.35Å; R1122-F1171 HydrophobicContact CB-CD1 3.84Å; R1122-F1171 HydrophobicContact CB-CE1 3.66Å; R1122-F1171 HydrophobicContact CB-CZ 4.46Å; R1122-F1171 HydrophobicContact CG-CD1 4.3Å; R1122-F1171 HydrophobicContact CG-CE1 3.95Å; R1122-F1171 HydrophobicContact CG-CZ 4.28Å; W1129-F1171 AromaticContact CD1-CE1 3.86Å; W1129-F1171 HydrophobicContact CG-CE1 4.24Å; W1129-F1171 AromaticContact NE1-CE1 3.91Å; F1157-F1171 HydrophobicContact CD1-CD1 4.47Å; F1157-F1171 AromaticContact CD1-CD2 3.65Å; F1157-F1171 HydrophobicContact CD1-CD2 3.65Å; F1157-F1171 HydrophobicContact CD1-CE1 4.42Å; F1157-F1171 AromaticContact CD1-CE2 3.61Å; F1157-F1171 HydrophobicContact CD1-CE2 3.61Å; F1157-F1171 HydrophobicContact CD1-CG 4.11Å; F1157-F1171 HydrophobicContact CD1-CZ 4.01Å; F1157-F1171 HydrophobicContact CE1-CB 4.16Å; F1157-F1171 HydrophobicContact CE1-CD1 4.2Å; F1157-F1171 AromaticContact CE1-CD2 3.73Å; F1157-F1171 HydrophobicContact CE1-CD2 3.73Å; F1157-F1171 HydrophobicContact CE1-CE2 4.15Å; F1157-F1171 AromaticContact CE1-CG 3.77Å; F1157-F1171 HydrophobicContact CE1-CG 3.77Å; F1168-F1171 WeakPolarHBondContact O-CB 3.35Å; F1168-F1171 PolarHBondContact O-N 2.8Å; T1169-F1171 PolarHBondContact O-N 3.29Å; F1171-I1192 HydrophobicContact CB-CD1 3.85Å |
| 1172 | H | 93.9 | Very high | 84.1 | Confident | 4 Ų | 4 | 57.2 Ų | 57.2 | 2% | 0.019 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 165.6 | 167.3 | 60.9 | -79.1 | 0 | 0 | 0 | 108.2 | Q1121 K1123 F1174 R1189 Y1190 | Q1121-H1172 PolarHBondContact N-O 2.6Å; Q1121-H1172 PolarHBondContact O-N 3.18Å; Q1121-H1172 PolarHBondContact OE1-CE1 3Å; Q1121-H1172 PolarHBondContact OE1-NE2 3.33Å; K1123-H1172 WeakPolarHBondContact CG-ND1 3.32Å; H1172-F1174 AromaticContact CD2-CE2 3.46Å; H1172-F1174 VanDerWaalsContact CD2-CE2 3.46Å; H1172-F1174 WeakPolarHBondContact CD2-CE2 3.07Å; H1172-F1174 AromaticContact CD2-CZ 3.91Å; H1172-F1174 AromaticContact NE2-CE2 3.19Å; H1172-F1174 WeakPolarHBondContact NE2-CE2 3.17Å; H1172-F1174 AromaticContact NE2-CZ 3.56Å; H1172-R1189 VanDerWaalsContact CD2-CD 3.44Å; H1172-R1189 WeakPolarHBondContact CD2-CD 3.49Å; H1172-R1189 PolarHBondContact CD2-NE 3.23Å; H1172-R1189 VanDerWaalsContact CD2-NE 3.33Å; H1172-Y1190 WeakPolarHBondContact CB-O 3.23Å |
| 1173 | V | 94.3 | Very high | 83.8 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 146.5 | -177.3 | -55.8 | 0 | 0 | 0 | 0 | 110.9 | V1118 V1119 V1120 V1175 R1189 Y1190 I1192 L1214 L1216 | V1118-V1173 HydrophobicContact CG1-CB 3.72Å; V1118-V1173 HydrophobicContact CG1-CG1 4.24Å; V1118-V1173 HydrophobicContact CG1-CG2 4.28Å; V1119-V1173 CarbonylContact O-C 3.5Å; V1119-V1173 VanDerWaalsContact O-CA 3.29Å; V1119-V1173 WeakPolarHBondContact O-CA 3.41Å; V1120-V1173 HydrophobicContact CG2-CG1 4.23Å; V1173-V1175 HydrophobicContact CG2-CG2 4.09Å; V1173-R1189 CarbonylContact O-C 3.49Å; V1173-R1189 WeakPolarHBondContact O-CA 3.49Å; V1173-Y1190 PolarHBondContact N-O 3.31Å; V1173-Y1190 PolarHBondContact O-N 3.32Å; V1173-I1192 HydrophobicContact CG1-CD1 4.1Å; V1173-I1192 HydrophobicContact CG1-CG1 4.2Å; V1173-L1214 HydrophobicContact CG1-CD1 4.27Å; V1173-L1216 HydrophobicContact CG2-CD1 4.15Å; V1173-L1216 HydrophobicContact CG2-CD2 3.47Å; V1173-L1216 VanDerWaalsContact CG2-CD2 3.47Å; V1173-L1216 HydrophobicContact CG2-CG 4.47Å |
| 1174 | F | 93.2 | Very high | 83.9 | Confident | 23 Ų | 23 | 60.2 Ų | 60.2 | 10% | 0.101 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 124.3 | 167.3 | -69.3 | -92.8 | 0 | 0 | 0 | 108.7 | V1118 V1119 Q1121 H1172 V1177 Y1180 T1185 T1188 R1189 | V1118-F1174 CarbonylContact C-O 3.39Å; V1118-F1174 WeakPolarHBondContact CA-O 3.38Å; V1118-F1174 WeakPolarHBondContact CG1-O 3.06Å; V1119-F1174 HydrophobicContact CB-CB 4.42Å; V1119-F1174 PolarHBondContact N-O 3.48Å; V1119-F1174 PolarHBondContact O-N 2.95Å; Q1121-F1174 HydrophobicContact CB-CD2 4.38Å; Q1121-F1174 HydrophobicContact CB-CE2 4.14Å; H1172-F1174 AromaticContact CD2-CE2 3.46Å; H1172-F1174 VanDerWaalsContact CD2-CE2 3.46Å; H1172-F1174 WeakPolarHBondContact CD2-CE2 3.07Å; H1172-F1174 AromaticContact CD2-CZ 3.91Å; H1172-F1174 AromaticContact NE2-CE2 3.19Å; H1172-F1174 WeakPolarHBondContact NE2-CE2 3.17Å; H1172-F1174 AromaticContact NE2-CZ 3.56Å; F1174-V1177 HydrophobicContact CB-CG2 3.48Å; F1174-V1177 VanDerWaalsContact CB-CG2 3.48Å; F1174-V1177 WeakPolarHBondContact O-CG2 3.46Å; F1174-Y1180 AromaticContact CD2-CE2 3.94Å; F1174-Y1180 HydrophobicContact CD2-CE2 3.94Å; F1174-Y1180 HydrophobicContact CE2-CE2 4.28Å; F1174-Y1180 HydrophobicContact CG-CE2 4.28Å; F1174-T1185 HydrophobicContact CD1-CG2 3.63Å; F1174-T1185 HydrophobicContact CE1-CG2 3.6Å; F1174-T1185 HydrophobicContact CG-CG2 4.38Å; F1174-T1185 HydrophobicContact CZ-CG2 4.35Å; F1174-T1188 WeakPolarHBondContact CA-O 3.37Å; F1174-R1189 HydrophobicContact CD1-CB 4.05Å; F1174-R1189 HydrophobicContact CE1-CB 3.71Å; F1174-R1189 HydrophobicContact CE1-CG 4.46Å; F1174-R1189 HydrophobicContact CZ-CB 4.21Å; F1174-R1189 HydrophobicContact CZ-CG 4.49Å |
| 1175 | V | 91.9 | Very high | 83.9 | Confident | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.012 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 142.1 | -177.6 | -174.4 | 0 | 0 | 0 | 0 | 109.8 | V1118 I1134 V1173 G1187 T1188 Y1190 V1220 V1226 | V1118-V1175 HydrophobicContact CG1-CG2 4.22Å; V1118-V1175 HydrophobicContact CG2-CB 4.41Å; V1118-V1175 HydrophobicContact CG2-CG1 4.1Å; V1118-V1175 HydrophobicContact CG2-CG2 4.04Å; I1134-V1175 HydrophobicContact CD1-CG1 4.34Å; V1173-V1175 HydrophobicContact CG2-CG2 4.09Å; V1175-G1187 CarbonylContact O-C 3.55Å; V1175-G1187 VanDerWaalsContact O-CA 3.22Å; V1175-G1187 WeakPolarHBondContact O-CA 3.48Å; V1175-T1188 PolarHBondContact N-O 3.44Å; V1175-T1188 PolarHBondContact O-N 3Å; V1175-Y1190 HydrophobicContact CB-CD2 4.27Å; V1175-Y1190 HydrophobicContact CB-CE2 4.28Å; V1175-Y1190 HydrophobicContact CG2-CD2 3.85Å; V1175-Y1190 HydrophobicContact CG2-CE2 4.29Å; V1175-V1220 HydrophobicContact CB-CG1 4.46Å; V1175-V1220 HydrophobicContact CG1-CG1 3.93Å; V1175-V1220 HydrophobicContact CG2-CG2 4.23Å; V1175-V1226 HydrophobicContact CG1-CG1 3.55Å; V1175-V1226 HydrophobicContact CG1-CG2 4.15Å |
| 1176 | G | 84.2 | Confident | 83.9 | Confident | 11 Ų | 11 | 53.1 Ų | 53.1 | 11% | 0.113 | 28% | 0.279 | C | S | . | . | S | Bend | trans | 77.2 | 35.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | N1117 | N1117-G1176 PolarHBondContact O-N 2.88Š|
| 1177 | V | 85.2 | Confident | 83.8 | Confident | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.012 | 28% | 0.279 | C | S | . | . | trans | -88.3 | 123.5 | -176.5 | -178 | 0 | 0 | 0 | 0 | 109.8 | V1119 F1174 Y1180 D1186 I1256 | V1119-V1177 HydrophobicContact CB-CG2 4.27Å; V1119-V1177 HydrophobicContact CG2-CB 4.03Å; V1119-V1177 HydrophobicContact CG2-CG1 3.91Å; V1119-V1177 HydrophobicContact CG2-CG2 4.02Å; F1174-V1177 HydrophobicContact CB-CG2 3.48Å; F1174-V1177 VanDerWaalsContact CB-CG2 3.48Å; F1174-V1177 WeakPolarHBondContact O-CG2 3.46Å; V1177-Y1180 HydrophobicContact CG1-CD2 4.05Å; V1177-Y1180 HydrophobicContact CG1-CG 4.46Å; V1177-D1186 WeakPolarHBondContact CA-OD1 3.38Å; V1177-I1256 HydrophobicContact CB-CD1 4.19Å; V1177-I1256 HydrophobicContact CG1-CD1 3.97Å | ||
| 1178 | T | 80.3 | Confident | 83.8 | Confident | 55 Ų | 55 | 54 Ų | 54 | 34% | 0.337 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -111.7 | -33.3 | 165.9 | 75.4 | 0 | 0 | 0 | 0 | 111.4 | V1113 D1186 I1256 | V1113-T1178 HydrophobicContact CB-CG2 4.14Å; V1113-T1178 HydrophobicContact CG1-CG2 4.4Å; T1178-D1186 WeakPolarHBondContact CB-OD2 3.34Å; T1178-D1186 PolarHBondContact N-OD1 2.9Å; T1178-D1186 PolarHBondContact N-OD2 2.73Å; T1178-D1186 PolarHBondContact OG1-OD2 3.48Å; T1178-I1256 PolarHBondContact O-N 3.27Å; T1178-I1256 VanDerWaalsContact O-N 3.1Å |
| 1179 | K | 80.5 | Confident | 83.9 | Confident | 142 Ų | 142 | 58.6 Ų | 58.6 | 62% | 0.617 | 30% | 0.3 | S | S | * | . | B | Isolated β-bridge | trans | -126.7 | 129.1 | 175.9 | -70.8 | -178.8 | -178 | 175.3 | 0 | 110.3 | T1185 D1186 R1255 | K1179-T1185 WeakPolarHBondContact O-CA 3.25Å; K1179-T1185 PolarHBondContact O-OG1 3.12Å; K1179-D1186 PolarHBondContact N-OD1 3.41Å; K1179-D1186 VanDerWaalsContact N-OD1 3.09Å; K1179-D1186 PolarHBondContact N-OD2 2.88Å; K1179-D1186 PolarHBondContact O-N 3.45Å; K1179-R1255 HydrophobicContact CG-CB 4.37Å |
| 1180 | Y | 78.5 | Confident | 84.3 | Confident | 5 Ų | 5 | 57.4 Ų | 57.4 | 2% | 0.02 | 29% | 0.288 | C | S | . | . | B | Isolated β-bridge | trans | -131.2 | 112.8 | -179.3 | -166.4 | -82.4 | 0 | 0 | 0 | 109.3 | V1119 Q1121 V1126 P1128 F1174 V1177 T1185 Y1249 N1254 | V1119-Y1180 HydrophobicContact CB-CD2 4.4Å; V1119-Y1180 HydrophobicContact CB-CE2 4.45Å; V1119-Y1180 HydrophobicContact CG1-CD2 4.08Å; V1119-Y1180 HydrophobicContact CG1-CE2 3.87Å; V1119-Y1180 HydrophobicContact CG2-CD2 4.37Å; Q1121-Y1180 WeakPolarHBondContact CG-OH 3.4Å; Q1121-Y1180 PolarHBondContact NE2-OH 3.43Å; V1126-Y1180 WeakPolarHBondContact O-CE1 3.39Å; V1126-Y1180 PolarHBondContact O-OH 2.93Å; P1128-Y1180 HydrophobicContact CB-CD1 4.04Å; P1128-Y1180 HydrophobicContact CB-CE1 3.99Å; P1128-Y1180 HydrophobicContact CG-CD1 3.88Å; P1128-Y1180 HydrophobicContact CG-CE1 4.11Å; F1174-Y1180 AromaticContact CD2-CE2 3.94Å; F1174-Y1180 HydrophobicContact CD2-CE2 3.94Å; F1174-Y1180 HydrophobicContact CE2-CE2 4.28Å; F1174-Y1180 HydrophobicContact CG-CE2 4.28Å; V1177-Y1180 HydrophobicContact CG1-CD2 4.05Å; V1177-Y1180 HydrophobicContact CG1-CG 4.46Å; Y1180-T1185 WeakPolarHBondContact CD2-OG1 3.4Å; Y1180-T1185 HydrophobicContact CE2-CG2 4.4Å; Y1180-Y1249 PolarHBondContact O-OH 3.31Å; Y1180-N1254 PolarHBondContact N-O 3.44Å; Y1180-N1254 CarbonylContact O-C 3.36Å; Y1180-N1254 WeakPolarHBondContact O-CA 3.34Å; Y1180-N1254 WeakPolarHBondContact O-CB 3.31Å |
| 1181 | S | 75.3 | Confident | 84.4 | Confident | 35 Ų | 35 | 55 Ų | 55 | 25% | 0.245 | 28% | 0.277 | C | S | . | . | trans | -127.1 | 166.2 | 174.4 | 73.8 | 0 | 0 | 0 | 0 | 110 | F1183 K1184 | S1181-F1183 PolarHBondContact O-N 2.95Å; S1181-F1183 VanDerWaalsContact O-N 3.13Å; S1181-K1184 PolarHBondContact N-O 3.25Å; S1181-K1184 PolarHBondContact O-N 2.87Å; S1181-K1184 PolarHBondContact OG-N 2.88Å; S1181-K1184 PolarHBondContact OG-O 3.32Å | ||
| 1182 | A | 65.5 | Low | 84.4 | Confident | 60 Ų | 60 | 55.1 Ų | 55.1 | 50% | 0.496 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -57.5 | -28.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | V1126 | V1126-A1182 HydrophobicContact CG1-CB 3.41Å; V1126-A1182 VanDerWaalsContact CG1-CB 3.41Å; V1126-A1182 WeakPolarHBondContact CG1-O 3.49Å |
| 1183 | F | 67.4 | Low | 84.2 | Confident | 208 Ų | 208 | 58.9 Ų | 58.9 | 91% | 0.912 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -110.1 | -16.3 | -174.1 | -56.3 | -75.6 | 0 | 0 | 0 | 113.6 | S1181 | S1181-F1183 PolarHBondContact O-N 2.95Å; S1181-F1183 VanDerWaalsContact O-N 3.13Å |
| 1184 | K | 72.9 | Confident | 84.1 | Confident | 168 Ų | 168 | 64.7 Ų | 64.7 | 73% | 0.73 | 32% | 0.32 | S | S | * | . | trans | -152.9 | 130 | -174.1 | -167.8 | 173.4 | -178.4 | 176.2 | 0 | 111.1 | S1181 | S1181-K1184 PolarHBondContact N-O 3.25Å; S1181-K1184 PolarHBondContact O-N 2.87Å; S1181-K1184 PolarHBondContact OG-N 2.88Å; S1181-K1184 PolarHBondContact OG-O 3.32Å | ||
| 1185 | T | 79 | Confident | 83.9 | Confident | 39 Ų | 39 | 64.9 Ų | 64.9 | 24% | 0.239 | 33% | 0.329 | C | S | . | . | B | Isolated β-bridge | trans | -131 | 145.4 | 165.6 | -179 | 0 | 0 | 0 | 0 | 108.7 | F1174 K1179 Y1180 G1187 | F1174-T1185 HydrophobicContact CD1-CG2 3.63Å; F1174-T1185 HydrophobicContact CE1-CG2 3.6Å; F1174-T1185 HydrophobicContact CG-CG2 4.38Å; F1174-T1185 HydrophobicContact CZ-CG2 4.35Å; K1179-T1185 WeakPolarHBondContact O-CA 3.25Å; K1179-T1185 PolarHBondContact O-OG1 3.12Å; Y1180-T1185 WeakPolarHBondContact CD2-OG1 3.4Å; Y1180-T1185 HydrophobicContact CE2-CG2 4.4Å; T1185-G1187 VanDerWaalsContact C-N 3.35Å; T1185-G1187 PolarHBondContact OG1-N 3.27Å |
| 1186 | D | 81.1 | Confident | 83.7 | Confident | 78 Ų | 78 | 67 Ų | 67 | 42% | 0.417 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -83.6 | -12.1 | 172.9 | 59.2 | -21.1 | 0 | 0 | 0 | 113.1 | V1177 T1178 K1179 | V1177-D1186 WeakPolarHBondContact CA-OD1 3.38Å; T1178-D1186 WeakPolarHBondContact CB-OD2 3.34Å; T1178-D1186 PolarHBondContact N-OD1 2.9Å; T1178-D1186 PolarHBondContact N-OD2 2.73Å; T1178-D1186 PolarHBondContact OG1-OD2 3.48Å; K1179-D1186 PolarHBondContact N-OD1 3.41Å; K1179-D1186 VanDerWaalsContact N-OD1 3.09Å; K1179-D1186 PolarHBondContact N-OD2 2.88Å; K1179-D1186 PolarHBondContact O-N 3.45Å |
| 1187 | G | 84.8 | Confident | 84 | Confident | 11 Ų | 11 | 68.7 Ų | 68.7 | 11% | 0.113 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -76.2 | 152.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | V1175 T1185 | V1175-G1187 CarbonylContact O-C 3.55Å; V1175-G1187 VanDerWaalsContact O-CA 3.22Å; V1175-G1187 WeakPolarHBondContact O-CA 3.48Å; T1185-G1187 VanDerWaalsContact C-N 3.35Å; T1185-G1187 PolarHBondContact OG1-N 3.27Å |
| 1188 | T | 88.8 | Confident | 84.1 | Confident | 83 Ų | 83 | 71 Ų | 71 | 51% | 0.509 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 133.6 | 175.9 | -57.3 | 0 | 0 | 0 | 0 | 110.4 | F1174 V1175 Y1190 | F1174-T1188 WeakPolarHBondContact CA-O 3.37Å; V1175-T1188 PolarHBondContact N-O 3.44Å; V1175-T1188 PolarHBondContact O-N 3Å; T1188-Y1190 HydrophobicContact CG2-CD2 4.34Å; T1188-Y1190 HydrophobicContact CG2-CE2 3.64Å; T1188-Y1190 WeakPolarHBondContact O-CD2 3.47Å |
| 1189 | R | 91.6 | Very high | 84.4 | Confident | 133 Ų | 133 | 74.2 Ų | 74.2 | 50% | 0.502 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 130.3 | -179.5 | 173.7 | 166.7 | 171.7 | -178.2 | -2 | 112.3 | H1172 V1173 F1174 E1191 | H1172-R1189 VanDerWaalsContact CD2-CD 3.44Å; H1172-R1189 WeakPolarHBondContact CD2-CD 3.49Å; H1172-R1189 PolarHBondContact CD2-NE 3.23Å; H1172-R1189 VanDerWaalsContact CD2-NE 3.33Å; V1173-R1189 CarbonylContact O-C 3.49Å; V1173-R1189 WeakPolarHBondContact O-CA 3.49Å; F1174-R1189 HydrophobicContact CD1-CB 4.05Å; F1174-R1189 HydrophobicContact CE1-CB 3.71Å; F1174-R1189 HydrophobicContact CE1-CG 4.46Å; F1174-R1189 HydrophobicContact CZ-CB 4.21Å; F1174-R1189 HydrophobicContact CZ-CG 4.49Å; R1189-E1191 IonicContact CZ-OE1 3.9Å; R1189-E1191 IonicContact NE-OE1 2.87Å; R1189-E1191 PolarHBondContact NE-OE1 3.09Å; R1189-E1191 VanDerWaalsContact NE-OE1 3.07Å; R1189-E1191 IonicContact NH2-OE1 3.33Å; R1189-E1191 PolarHBondContact NH2-OE1 3.48Å |
| 1190 | Y | 95 | Very high | 84.4 | Confident | 43 Ų | 43 | 68.2 Ų | 68.2 | 17% | 0.169 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 138.8 | 172.2 | -69.7 | -98.2 | 0 | 0 | 0 | 111.3 | H1172 V1173 V1175 T1188 L1216 K1218 V1220 | H1172-Y1190 WeakPolarHBondContact CB-O 3.23Å; V1173-Y1190 PolarHBondContact N-O 3.31Å; V1173-Y1190 PolarHBondContact O-N 3.32Å; V1175-Y1190 HydrophobicContact CB-CD2 4.27Å; V1175-Y1190 HydrophobicContact CB-CE2 4.28Å; V1175-Y1190 HydrophobicContact CG2-CD2 3.85Å; V1175-Y1190 HydrophobicContact CG2-CE2 4.29Å; T1188-Y1190 HydrophobicContact CG2-CD2 4.34Å; T1188-Y1190 HydrophobicContact CG2-CE2 3.64Å; T1188-Y1190 WeakPolarHBondContact O-CD2 3.47Å; Y1190-L1216 HydrophobicContact CD1-CD1 4.49Å; Y1190-L1216 HydrophobicContact CG-CD1 4.27Å; Y1190-K1218 HydrophobicContact CD1-CB 4.17Å; Y1190-K1218 HydrophobicContact CE1-CB 4.26Å; Y1190-V1220 HydrophobicContact CD1-CG2 3.94Å; Y1190-V1220 HydrophobicContact CD2-CG2 4.13Å; Y1190-V1220 HydrophobicContact CE1-CB 4.38Å; Y1190-V1220 HydrophobicContact CE1-CG2 3.74Å; Y1190-V1220 HydrophobicContact CE2-CG1 4.25Å; Y1190-V1220 HydrophobicContact CE2-CG2 3.93Å; Y1190-V1220 HydrophobicContact CG-CG2 4.15Å |
| 1191 | E | 94.8 | Very high | 84.3 | Confident | 52 Ų | 52 | 74.6 Ų | 74.6 | 24% | 0.243 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 139.2 | 175.6 | -68.1 | -65.2 | 143.9 | 0 | 0 | 110.9 | K1123 R1189 K1217 | K1123-E1191 VanDerWaalsContact CE-OE2 3.25Å; K1123-E1191 WeakPolarHBondContact CE-OE2 3.33Å; K1123-E1191 IonicContact NZ-OE2 2.79Å; K1123-E1191 PolarHBondContact NZ-OE2 2.92Å; R1189-E1191 IonicContact CZ-OE1 3.9Å; R1189-E1191 IonicContact NE-OE1 2.87Å; R1189-E1191 PolarHBondContact NE-OE1 3.09Å; R1189-E1191 VanDerWaalsContact NE-OE1 3.07Å; R1189-E1191 IonicContact NH2-OE1 3.33Å; R1189-E1191 PolarHBondContact NH2-OE1 3.48Å; E1191-K1217 HydrophobicContact CB-CB 4.41Å; E1191-K1217 HydrophobicContact CB-CD 3.87Å; E1191-K1217 HydrophobicContact CB-CG 4.22Å; E1191-K1217 PolarHBondContact O-N 3.14Å |
| 1192 | I | 93.8 | Very high | 84.5 | Confident | 3 Ų | 3 | 76.4 Ų | 76.4 | 2% | 0.015 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 130.2 | 177 | -57.7 | 166.5 | 0 | 0 | 0 | 108.9 | F1168 F1171 V1173 L1214 L1216 K1217 | F1168-I1192 HydrophobicContact CB-CG2 4.05Å; F1171-I1192 HydrophobicContact CB-CD1 3.85Å; V1173-I1192 HydrophobicContact CG1-CD1 4.1Å; V1173-I1192 HydrophobicContact CG1-CG1 4.2Å; I1192-L1214 HydrophobicContact CD1-CD1 4.08Å; I1192-L1214 HydrophobicContact CG2-CB 4.48Å; I1192-L1216 HydrophobicContact CG1-CD2 4.24Å; I1192-K1217 WeakPolarHBondContact O-CE 3.43Å |
| 1193 | E | 90.9 | Very high | 84.8 | Confident | 84 Ų | 84 | 74.7 Ų | 74.7 | 39% | 0.393 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | -56 | 175.6 | -172.2 | -178.1 | 178.2 | 0 | 0 | 110.4 | R1148 Q1215 K1217 | R1148-E1193 IonicContact NH2-OE2 3.2Å; E1193-Q1215 WeakPolarHBondContact CB-O 3.38Å; E1193-Q1215 PolarHBondContact N-O 3.4Å; E1193-Q1215 PolarHBondContact OE2-NE2 3.47Å; E1193-K1217 HydrophobicContact CB-CB 4.47Å; E1193-K1217 HydrophobicContact CB-CG 3.68Å; E1193-K1217 HydrophobicContact CG-CG 4.26Å |
| 1194 | K | 91.2 | Very high | 85.1 | Confident | 121 Ų | 121 | 69 Ų | 69 | 53% | 0.526 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 168.6 | 178.6 | 61.5 | -176 | 177.9 | -173.6 | 0 | 110.5 | Q1215 | K1194-Q1215 HydrophobicContact CG-CB 4.03Å; K1194-Q1215 PolarHBondContact N-O 3.26Å; K1194-Q1215 PolarHBondContact O-N 3.45Å |
| 1195 | G | 88.5 | Confident | 85.3 | Confident | 27 Ų | 27 | 65.3 Ų | 65.3 | 28% | 0.278 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 161.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F1168 V1213 | F1168-G1195 WeakPolarHBondContact CE2-O 3.4Å; G1195-V1213 CarbonylContact C-O 3.57Å; G1195-V1213 WeakPolarHBondContact CA-O 3.5Å |
| 1196 | S | 89.5 | Confident | 85.3 | Confident | 46 Ų | 46 | 64.2 Ų | 64.2 | 32% | 0.322 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 147.4 | 176 | 59.7 | 0 | 0 | 0 | 0 | 111.2 | H1198 A1212 V1213 | S1196-H1198 PolarHBondContact OG-CE1 3.25Å; S1196-A1212 WeakPolarHBondContact O-CA 3.24Å; S1196-V1213 PolarHBondContact N-O 3.5Å; S1196-V1213 PolarHBondContact O-N 3.44Å |
| 1197 | L | 89.6 | Confident | 85.4 | Confident | 48 Ų | 48 | 60.5 Ų | 60.5 | 25% | 0.251 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 122.6 | 178.9 | -75.2 | 163.1 | 0 | 0 | 0 | 110 | G1154 F1165 F1168 A1212 | G1154-L1197 VanDerWaalsContact CA-CD2 3.48Å; F1165-L1197 HydrophobicContact CD1-CD1 3.55Å; F1165-L1197 HydrophobicContact CD2-CD1 4.31Å; F1165-L1197 HydrophobicContact CE1-CD1 3.69Å; F1165-L1197 HydrophobicContact CE1-CD2 4.35Å; F1165-L1197 HydrophobicContact CE2-CD1 4.44Å; F1165-L1197 HydrophobicContact CG-CD1 3.87Å; F1165-L1197 HydrophobicContact CZ-CD1 4.15Å; F1168-L1197 HydrophobicContact CZ-CD1 4.4Å; F1168-L1197 HydrophobicContact CZ-CG 4.12Å; L1197-A1212 HydrophobicContact CD2-CB 3.85Å |
| 1198 | H | 88.3 | Confident | 85.5 | Confident | 50 Ų | 50 | 62.7 Ų | 62.7 | 23% | 0.231 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 87.8 | 174.9 | -60.4 | 83.2 | 0 | 0 | 0 | 108.1 | S1196 G1210 I1211 V1213 | S1196-H1198 PolarHBondContact OG-CE1 3.25Å; H1198-G1210 VanDerWaalsContact O-CA 3.28Å; H1198-G1210 WeakPolarHBondContact O-CA 3.21Å; H1198-I1211 PolarHBondContact N-O 3.17Å; H1198-I1211 PolarHBondContact O-N 3.2Å; H1198-I1211 VanDerWaalsContact O-N 3.09Å; H1198-V1213 VanDerWaalsContact CE1-CG2 3.46Å; H1198-V1213 WeakPolarHBondContact CE1-CG2 3.39Å |
| 1199 | K | 86.8 | Confident | 85.5 | Confident | 123 Ų | 123 | 59.8 Ų | 59.8 | 54% | 0.535 | 29% | 0.292 | S | S | . | . | trans | -73.6 | 152.8 | -175.9 | -65.7 | -177 | -177.6 | 178 | 0 | 112.1 | I1208 | K1199-I1208 WeakPolarHBondContact CA-O 3.22Å; K1199-I1208 WeakPolarHBondContact CB-O 3.4Å | ||
| 1200 | Q | 80.2 | Confident | 85.5 | Confident | 16 Ų | 16 | 53.6 Ų | 53.6 | 8% | 0.075 | 27% | 0.269 | C | S | . | . | trans | -99.6 | 142.4 | 175.2 | -177.4 | 98.1 | -75.3 | 0 | 0 | 109.5 | Y1202 I1207 I1208 E1280 N1335 | Q1200-Y1202 WeakPolarHBondContact CG-O 3.49Å; Q1200-I1207 WeakPolarHBondContact CB-O 3.31Å; Q1200-I1207 HydrophobicContact CG-CG2 4.18Å; Q1200-I1208 PolarHBondContact N-O 3.11Å; Q1200-I1208 WeakPolarHBondContact O-CA 3.23Å; Q1200-I1208 WeakPolarHBondContact O-CG2 3.43Å; Q1200-E1280 VanDerWaalsContact NE2-C 3.33Å; Q1200-E1280 PolarHBondContact NE2-O 3.48Å; Q1200-N1335 PolarHBondContact NE2-OD1 3.47Å | ||
| 1201 | Q | 75.7 | Confident | 85.4 | Confident | 139 Ų | 139 | 51.8 Ų | 51.8 | 65% | 0.65 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -77 | -28.4 | 179.9 | -69.9 | -179.2 | -5.5 | 0 | 0 | 113.8 | ||
| 1202 | Y | 78.8 | Confident | 85.3 | Confident | 72 Ų | 72 | 49.3 Ų | 49.3 | 28% | 0.282 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -131.2 | 143.3 | -169.7 | -57.8 | -79.7 | 0 | 0 | 0 | 111.9 | Q1200 R1278 | Q1200-Y1202 WeakPolarHBondContact CG-O 3.49Å; Y1202-R1278 HydrophobicContact CD1-CB 3.97Å; Y1202-R1278 HydrophobicContact CD2-CB 3.56Å; Y1202-R1278 HydrophobicContact CD2-CG 4.43Å; Y1202-R1278 HydrophobicContact CE2-CB 4.17Å; Y1202-R1278 HydrophobicContact CG-CB 3.45Å; Y1202-R1278 VanDerWaalsContact CG-CB 3.45Å; Y1202-R1278 HydrophobicContact CG-CG 4.42Å; Y1202-R1278 PolarHBondContact OH-NH1 2.93Å |
| 1203 | G | 71.9 | Confident | 85.3 | Confident | 24 Ų | 24 | 49.7 Ų | 49.7 | 25% | 0.247 | 25% | 0.253 | C | S | . | . | S | Bend | trans | 133.4 | -172.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I1208 | G1203-I1208 VanDerWaalsContact O-CD1 3.26Å; G1203-I1208 WeakPolarHBondContact O-CD1 3.48Å |
| 1204 | F | 74.2 | Confident | 85.4 | Confident | 88 Ų | 88 | 45.7 Ų | 45.7 | 39% | 0.386 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -74.2 | 165.5 | 169.5 | -57.2 | -70.1 | 0 | 0 | 0 | 110.7 | A1206 I1207 I1208 H1275 L1276 | F1204-A1206 VanDerWaalsContact C-N 3.26Å; F1204-A1206 PolarHBondContact O-N 3.26Å; F1204-A1206 VanDerWaalsContact O-N 3.11Å; F1204-I1207 HydrophobicContact CD2-CD1 4.15Å; F1204-I1207 WeakPolarHBondContact O-CA 3.47Å; F1204-I1207 WeakPolarHBondContact O-CB 3.3Å; F1204-I1207 PolarHBondContact O-N 3.2Å; F1204-I1208 WeakPolarHBondContact O-CG1 3.39Å; F1204-I1208 PolarHBondContact O-N 2.96Å; F1204-H1275 HydrophobicContact CE1-CB 4.01Å; F1204-H1275 HydrophobicContact CE2-CB 4.04Å; F1204-H1275 HydrophobicContact CZ-CB 3.48Å; F1204-H1275 VanDerWaalsContact CZ-CB 3.48Å; F1204-H1275 AromaticContact CZ-CD2 3.91Å; F1204-H1275 AromaticContact CZ-CG 3.76Å; F1204-L1276 HydrophobicContact CD2-CD2 4.3Å; F1204-L1276 HydrophobicContact CE2-CD2 4.23Å |
| 1205 | D | 77.5 | Confident | 85.4 | Confident | 91 Ų | 91 | 41.7 Ų | 41.7 | 49% | 0.487 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -44.4 | -48.1 | 179.6 | -85.2 | 15.8 | 0 | 0 | 0 | 113.7 | R1158 I1207 I1208 H1209 | R1158-D1205 IonicContact CZ-OD2 3.79Å; R1158-D1205 IonicContact NH1-OD2 3.19Å; R1158-D1205 IonicContact NH2-OD2 2.76Å; R1158-D1205 PolarHBondContact NH2-OD2 3.44Å; D1205-I1207 PolarHBondContact O-N 2.67Å; D1205-I1208 PolarHBondContact O-N 3.45Å; D1205-H1209 PolarHBondContact O-CE1 3.31Å; D1205-H1209 VanDerWaalsContact O-CE1 3.25Å; D1205-H1209 PolarHBondContact O-N 3.45Å; D1205-H1209 PolarHBondContact O-ND1 3.37Å; D1205-H1209 VanDerWaalsContact O-ND1 3.14Å |
| 1206 | A | 78 | Confident | 85.6 | Confident | 17 Ų | 17 | 40.4 Ų | 40.4 | 14% | 0.14 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.6 | -27.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | F1204 | F1204-A1206 VanDerWaalsContact C-N 3.26Å; F1204-A1206 PolarHBondContact O-N 3.26Å; F1204-A1206 VanDerWaalsContact O-N 3.11Å |
| 1207 | I | 84.6 | Confident | 85.7 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -83.6 | -43.7 | 178.3 | -62.6 | 177.4 | 0 | 0 | 0 | 110.5 | Q1200 F1204 D1205 H1209 G1210 L1276 A1279 T1315 F1333 N1335 | Q1200-I1207 WeakPolarHBondContact CB-O 3.31Å; Q1200-I1207 HydrophobicContact CG-CG2 4.18Å; F1204-I1207 HydrophobicContact CD2-CD1 4.15Å; F1204-I1207 WeakPolarHBondContact O-CA 3.47Å; F1204-I1207 WeakPolarHBondContact O-CB 3.3Å; F1204-I1207 PolarHBondContact O-N 3.2Å; D1205-I1207 PolarHBondContact O-N 2.67Å; I1207-H1209 PolarHBondContact O-N 2.9Å; I1207-H1209 VanDerWaalsContact O-N 3.16Å; I1207-G1210 PolarHBondContact O-N 2.92Å; I1207-L1276 HydrophobicContact CD1-CD2 3.26Å; I1207-A1279 HydrophobicContact CG2-CB 4.14Å; I1207-T1315 HydrophobicContact CD1-CG2 3.89Å; I1207-T1315 HydrophobicContact CG1-CG2 3.66Å; I1207-F1333 HydrophobicContact CB-CE1 4.38Å; I1207-F1333 HydrophobicContact CD1-CB 4.44Å; I1207-F1333 HydrophobicContact CD1-CD1 3.73Å; I1207-F1333 HydrophobicContact CD1-CD2 4.16Å; I1207-F1333 HydrophobicContact CD1-CE1 3.99Å; I1207-F1333 HydrophobicContact CD1-CE2 4.38Å; I1207-F1333 HydrophobicContact CD1-CG 3.83Å; I1207-F1333 HydrophobicContact CD1-CZ 4.31Å; I1207-F1333 HydrophobicContact CG1-CD1 3.75Å; I1207-F1333 HydrophobicContact CG1-CE1 4.02Å; I1207-F1333 HydrophobicContact CG1-CG 4.3Å; I1207-F1333 HydrophobicContact CG2-CD1 4.19Å; I1207-F1333 HydrophobicContact CG2-CE1 3.56Å; I1207-F1333 HydrophobicContact CG2-CZ 4Å; I1207-N1335 PolarHBondContact O-ND2 3.28Å |
| 1208 | I | 87.1 | Confident | 85.8 | Confident | 57 Ų | 57 | 48.7 Ų | 48.7 | 29% | 0.292 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -55.4 | -33 | 180 | -70 | 170.8 | 0 | 0 | 0 | 111.5 | K1199 Q1200 G1203 F1204 D1205 G1210 | K1199-I1208 WeakPolarHBondContact CA-O 3.22Å; K1199-I1208 WeakPolarHBondContact CB-O 3.4Å; Q1200-I1208 PolarHBondContact N-O 3.11Å; Q1200-I1208 WeakPolarHBondContact O-CA 3.23Å; Q1200-I1208 WeakPolarHBondContact O-CG2 3.43Å; G1203-I1208 VanDerWaalsContact O-CD1 3.26Å; G1203-I1208 WeakPolarHBondContact O-CD1 3.48Å; F1204-I1208 WeakPolarHBondContact O-CG1 3.39Å; F1204-I1208 PolarHBondContact O-N 2.96Å; D1205-I1208 PolarHBondContact O-N 3.45Å; I1208-G1210 PolarHBondContact O-N 3.28Å |
| 1209 | H | 87.4 | Confident | 85.7 | Confident | 22 Ų | 22 | 48.7 Ų | 48.7 | 10% | 0.102 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -17 | 178.2 | -59.8 | 150.2 | 0 | 0 | 0 | 114.5 | D1155 R1158 F1165 D1205 I1207 | D1155-H1209 IonicContact OD1-CE1 3.6Å; D1155-H1209 PolarHBondContact OD1-CE1 3.48Å; D1155-H1209 IonicContact OD1-CG 2.85Å; D1155-H1209 IonicContact OD1-ND1 3.24Å; D1155-H1209 PolarHBondContact OD1-ND1 3.38Å; R1158-H1209 VanDerWaalsContact CD-CE1 3.48Å; R1158-H1209 WeakPolarHBondContact CD-CE1 3.47Å; R1158-H1209 PolarHBondContact NH1-CE1 3.15Å; F1165-H1209 HydrophobicContact CZ-CB 4.31Å; F1165-H1209 AromaticContact CZ-CD2 3.7Å; F1165-H1209 AromaticContact CZ-CG 3.88Å; D1205-H1209 PolarHBondContact O-CE1 3.31Å; D1205-H1209 VanDerWaalsContact O-CE1 3.25Å; D1205-H1209 PolarHBondContact O-N 3.45Å; D1205-H1209 PolarHBondContact O-ND1 3.37Å; D1205-H1209 VanDerWaalsContact O-ND1 3.14Å; I1207-H1209 PolarHBondContact O-N 2.9Å; I1207-H1209 VanDerWaalsContact O-N 3.16Å |
| 1210 | G | 91 | Very high | 85.8 | Confident | 2 Ų | 2 | 42.9 Ų | 42.9 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | trans | 65.6 | -135.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | G1154 H1198 I1207 I1208 N1335 | G1154-G1210 PolarHBondContact N-O 2.78Å; H1198-G1210 VanDerWaalsContact O-CA 3.28Å; H1198-G1210 WeakPolarHBondContact O-CA 3.21Å; I1207-G1210 PolarHBondContact O-N 2.92Å; I1208-G1210 PolarHBondContact O-N 3.28Å; G1210-N1335 VanDerWaalsContact CA-ND2 3.31Å; G1210-N1335 WeakPolarHBondContact CA-ND2 3.48Å | ||
| 1211 | I | 93.3 | Very high | 86 | Confident | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.026 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 140.8 | -172.6 | -62.3 | 170.9 | 0 | 0 | 0 | 109.8 | L1151 T1152 H1198 V1312 N1335 S1336 V1337 | L1151-I1211 HydrophobicContact CD2-CG2 4.21Å; T1152-I1211 WeakPolarHBondContact O-CG2 3.32Å; H1198-I1211 PolarHBondContact N-O 3.17Å; H1198-I1211 PolarHBondContact O-N 3.2Å; H1198-I1211 VanDerWaalsContact O-N 3.09Å; I1211-V1312 HydrophobicContact CD1-CB 4.35Å; I1211-V1312 HydrophobicContact CD1-CG2 4.07Å; I1211-V1312 HydrophobicContact CG1-CB 4.15Å; I1211-V1312 HydrophobicContact CG1-CG2 4.16Å; I1211-V1312 HydrophobicContact CG2-CG2 4.18Å; I1211-N1335 HydrophobicContact CD1-CB 4.09Å; I1211-N1335 HydrophobicContact CG1-CB 3.84Å; I1211-S1336 VanDerWaalsContact CD1-C 3.48Å; I1211-S1336 WeakPolarHBondContact CD1-O 3.48Å; I1211-V1337 HydrophobicContact CD1-CB 4.3Å; I1211-V1337 HydrophobicContact CD1-CG1 3.91Å |
| 1212 | A | 93.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 133.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | T1152 F1157 S1196 L1197 | T1152-A1212 HydrophobicContact CG2-CB 3.91Å; T1152-A1212 PolarHBondContact N-O 2.99Å; T1152-A1212 PolarHBondContact O-N 2.95Å; F1157-A1212 HydrophobicContact CD2-CB 3.97Å; F1157-A1212 HydrophobicContact CE2-CB 3.66Å; S1196-A1212 WeakPolarHBondContact O-CA 3.24Å; L1197-A1212 HydrophobicContact CD2-CB 3.85Å |
| 1213 | V | 92.9 | Very high | 86.6 | Confident | 12 Ų | 12 | 39 Ų | 39 | 7% | 0.073 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 124.1 | 169.5 | 174.3 | 0 | 0 | 0 | 0 | 108 | L1151 G1195 S1196 H1198 A1340 F1344 | L1151-V1213 HydrophobicContact CD2-CB 4.33Å; L1151-V1213 HydrophobicContact CD2-CG2 3.54Å; G1195-V1213 CarbonylContact C-O 3.57Å; G1195-V1213 WeakPolarHBondContact CA-O 3.5Å; S1196-V1213 PolarHBondContact N-O 3.5Å; S1196-V1213 PolarHBondContact O-N 3.44Å; H1198-V1213 VanDerWaalsContact CE1-CG2 3.46Å; H1198-V1213 WeakPolarHBondContact CE1-CG2 3.39Å; V1213-A1340 HydrophobicContact CG2-CB 3.98Å; V1213-F1344 HydrophobicContact CB-CZ 4.29Å; V1213-F1344 HydrophobicContact CG1-CE1 3.71Å; V1213-F1344 HydrophobicContact CG1-CE2 4.13Å; V1213-F1344 HydrophobicContact CG1-CZ 3.26Å; V1213-F1344 HydrophobicContact CG2-CE2 4.07Å; V1213-F1344 HydrophobicContact CG2-CZ 4.03Å |
| 1214 | L | 93.2 | Very high | 86.8 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 137.4 | 179.8 | -49.5 | 173.9 | 0 | 0 | 0 | 110 | Y1149 V1150 T1152 F1157 F1168 V1173 I1192 | Y1149-L1214 WeakPolarHBondContact CA-O 3.27Å; V1150-L1214 HydrophobicContact CB-CB 4.28Å; V1150-L1214 HydrophobicContact CG1-CD1 4.39Å; V1150-L1214 PolarHBondContact N-O 3.23Å; V1150-L1214 PolarHBondContact O-N 2.83Å; T1152-L1214 HydrophobicContact CG2-CD1 4.12Å; F1157-L1214 HydrophobicContact CE1-CD2 4.46Å; F1157-L1214 HydrophobicContact CE2-CD2 3.99Å; F1157-L1214 HydrophobicContact CZ-CD1 3.87Å; F1157-L1214 HydrophobicContact CZ-CD2 3.67Å; F1157-L1214 HydrophobicContact CZ-CG 4.33Å; F1168-L1214 HydrophobicContact CD1-CD2 3.65Å; F1168-L1214 HydrophobicContact CE1-CD2 3.95Å; F1168-L1214 HydrophobicContact CG-CD2 4.39Å; V1173-L1214 HydrophobicContact CG1-CD1 4.27Å; I1192-L1214 HydrophobicContact CD1-CD1 4.08Å; I1192-L1214 HydrophobicContact CG2-CB 4.48Å |
| 1215 | Q | 91.9 | Very high | 87.1 | Confident | 37 Ų | 37 | 43.6 Ų | 43.6 | 17% | 0.173 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 128.2 | 172 | -178.9 | 174.6 | -21.8 | 0 | 0 | 109.7 | R1148 Y1149 E1193 K1194 | R1148-Q1215 CarbonylContact O-C 3.43Å; R1148-Q1215 WeakPolarHBondContact O-CA 3.45Å; Y1149-Q1215 HydrophobicContact CD1-CB 4.34Å; Y1149-Q1215 HydrophobicContact CD1-CG 4.5Å; Y1149-Q1215 HydrophobicContact CE1-CB 4.22Å; Y1149-Q1215 HydrophobicContact CE1-CG 4.11Å; E1193-Q1215 WeakPolarHBondContact CB-O 3.38Å; E1193-Q1215 PolarHBondContact N-O 3.4Å; E1193-Q1215 PolarHBondContact OE2-NE2 3.47Å; K1194-Q1215 HydrophobicContact CG-CB 4.03Å; K1194-Q1215 PolarHBondContact N-O 3.26Å; K1194-Q1215 PolarHBondContact O-N 3.45Å |
| 1216 | L | 93.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 145.3 | -177.9 | -56.4 | 178.7 | 0 | 0 | 0 | 112.4 | R1148 V1150 V1173 Y1190 I1192 K1218 V1220 | R1148-L1216 PolarHBondContact NE-O 3.43Å; R1148-L1216 PolarHBondContact NH2-O 2.96Å; R1148-L1216 PolarHBondContact O-N 3.3Å; V1150-L1216 HydrophobicContact CG2-CD1 4Å; V1150-L1216 HydrophobicContact CG2-CG 4.34Å; V1173-L1216 HydrophobicContact CG2-CD1 4.15Å; V1173-L1216 HydrophobicContact CG2-CD2 3.47Å; V1173-L1216 VanDerWaalsContact CG2-CD2 3.47Å; V1173-L1216 HydrophobicContact CG2-CG 4.47Å; Y1190-L1216 HydrophobicContact CD1-CD1 4.49Å; Y1190-L1216 HydrophobicContact CG-CD1 4.27Å; I1192-L1216 HydrophobicContact CG1-CD2 4.24Å; L1216-K1218 VanDerWaalsContact C-N 3.26Å; L1216-K1218 WeakPolarHBondContact CB-O 3.32Å; L1216-K1218 PolarHBondContact O-N 3.17Å; L1216-V1220 HydrophobicContact CD1-CG2 3.54Å |
| 1217 | K | 91.2 | Very high | 88.2 | Confident | 118 Ų | 118 | 40.4 Ų | 40.4 | 51% | 0.513 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | -27.2 | 177.8 | -70.8 | -168.5 | -178.7 | -174.8 | 0 | 113.5 | R1148 E1191 I1192 E1193 | R1148-K1217 VanDerWaalsContact NH2-C 3.32Å; R1148-K1217 PolarHBondContact NH2-O 3.44Å; E1191-K1217 HydrophobicContact CB-CB 4.41Å; E1191-K1217 HydrophobicContact CB-CD 3.87Å; E1191-K1217 HydrophobicContact CB-CG 4.22Å; E1191-K1217 PolarHBondContact O-N 3.14Å; I1192-K1217 WeakPolarHBondContact O-CE 3.43Å; E1193-K1217 HydrophobicContact CB-CB 4.47Å; E1193-K1217 HydrophobicContact CB-CG 3.68Å; E1193-K1217 HydrophobicContact CG-CG 4.26Å |
| 1218 | K | 90.9 | Very high | 88.5 | Confident | 150 Ų | 150 | 40.4 Ų | 40.4 | 65% | 0.652 | 22% | 0.216 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 139.4 | 175.4 | -68 | -174.5 | 178.2 | -176 | 0 | 109.2 | Y1190 L1216 | Y1190-K1218 HydrophobicContact CD1-CB 4.17Å; Y1190-K1218 HydrophobicContact CE1-CB 4.26Å; L1216-K1218 VanDerWaalsContact C-N 3.26Å; L1216-K1218 WeakPolarHBondContact CB-O 3.32Å; L1216-K1218 PolarHBondContact O-N 3.17Å |
| 1219 | P | 87 | Confident | 88.8 | Confident | 49 Ų | 49 | 37.7 Ų | 37.7 | 32% | 0.318 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 140.9 | 172.3 | 28.4 | -33.3 | 0 | 0 | 0 | 111.1 | H1146 R1148 | H1146-P1219 HydrophobicContact CB-CB 4.09Å; H1146-P1219 WeakPolarHBondContact CD2-CB 3.45Å; R1148-P1219 HydrophobicContact CG-CB 3.77Å |
| 1220 | V | 87.8 | Confident | 88.9 | Confident | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.012 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 111.1 | 175.5 | -175.8 | 0 | 0 | 0 | 0 | 107.8 | I1134 H1146 S1147 V1175 Y1190 L1216 V1226 | I1134-V1220 HydrophobicContact CD1-CB 3.8Å; I1134-V1220 HydrophobicContact CD1-CG1 3.94Å; I1134-V1220 HydrophobicContact CD1-CG2 4.08Å; H1146-V1220 CarbonylContact C-O 3.59Å; H1146-V1220 WeakPolarHBondContact CA-O 3.45Å; H1146-V1220 VanDerWaalsContact CB-O 3.3Å; H1146-V1220 WeakPolarHBondContact CB-O 3.34Å; S1147-V1220 PolarHBondContact N-O 3.06Å; S1147-V1220 WeakPolarHBondContact O-CB 3.39Å; S1147-V1220 PolarHBondContact O-N 3.12Å; V1175-V1220 HydrophobicContact CB-CG1 4.46Å; V1175-V1220 HydrophobicContact CG1-CG1 3.93Å; V1175-V1220 HydrophobicContact CG2-CG2 4.23Å; Y1190-V1220 HydrophobicContact CD1-CG2 3.94Å; Y1190-V1220 HydrophobicContact CD2-CG2 4.13Å; Y1190-V1220 HydrophobicContact CE1-CB 4.38Å; Y1190-V1220 HydrophobicContact CE1-CG2 3.74Å; Y1190-V1220 HydrophobicContact CE2-CG1 4.25Å; Y1190-V1220 HydrophobicContact CE2-CG2 3.93Å; Y1190-V1220 HydrophobicContact CG-CG2 4.15Å; L1216-V1220 HydrophobicContact CD1-CG2 3.54Å; V1220-V1226 HydrophobicContact CG1-CG1 3.59Å |
| 1221 | S | 86.1 | Confident | 88.7 | Confident | 82 Ų | 82 | 36.7 Ų | 36.7 | 57% | 0.573 | 20% | 0.197 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -71 | 135.5 | 175.1 | -57.3 | 0 | 0 | 0 | 0 | 111 | ||
| 1222 | F | 86.3 | Confident | 88.2 | Confident | 15 Ų | 15 | 36.5 Ų | 36.5 | 7% | 0.066 | 20% | 0.196 | C | C | . | . | trans | -74.6 | 144.9 | 179.8 | -57.3 | -36.2 | 0 | 0 | 0 | 112.2 | I1134 S1144 N1145 V1226 P1228 | I1134-F1222 HydrophobicContact CD1-CE1 4.27Å; S1144-F1222 VanDerWaalsContact O-CD2 3.24Å; S1144-F1222 WeakPolarHBondContact O-CD2 3.23Å; S1144-F1222 VanDerWaalsContact O-CE2 3.28Å; S1144-F1222 WeakPolarHBondContact O-CE2 3.38Å; S1144-F1222 WeakPolarHBondContact OG-CE2 3.4Å; N1145-F1222 PolarHBondContact O-N 3.35Å; F1222-V1226 CarbonylContact C-O 3.6Å; F1222-V1226 VanDerWaalsContact CA-O 3.24Å; F1222-V1226 WeakPolarHBondContact CA-O 3.03Å; F1222-V1226 WeakPolarHBondContact CB-O 3.37Å; F1222-P1228 HydrophobicContact CD2-CG 4.43Å; F1222-P1228 HydrophobicContact CE1-CB 4.12Å; F1222-P1228 HydrophobicContact CE1-CG 3.87Å; F1222-P1228 HydrophobicContact CE2-CG 3.71Å; F1222-P1228 HydrophobicContact CZ-CB 3.9Å; F1222-P1228 HydrophobicContact CZ-CG 3.4Å; F1222-P1228 VanDerWaalsContact CZ-CG 3.4Å | ||
| 1223 | S | 80.4 | Confident | 87.3 | Confident | 49 Ų | 49 | 38.7 Ų | 38.7 | 34% | 0.343 | 21% | 0.21 | S | C | . | . | trans | -146.6 | -174.4 | -179.4 | 70.5 | 0 | 0 | 0 | 0 | 109.8 | T1225 V1226 R1227 | S1223-T1225 PolarHBondContact O-N 2.66Å; S1223-T1225 PolarHBondContact OG-N 3.17Å; S1223-T1225 PolarHBondContact OG-OG1 2.69Å; S1223-V1226 PolarHBondContact N-O 2.7Å; S1223-V1226 PolarHBondContact O-N 2.94Å; S1223-V1226 VanDerWaalsContact O-O 3.1Å; S1223-V1226 PolarHBondContact OG-N 2.99Å; S1223-R1227 VanDerWaalsContact O-CG 3.3Å; S1223-R1227 WeakPolarHBondContact O-CG 3.42Å | ||
| 1224 | N | 76.3 | Confident | 86.4 | Confident | 117 Ų | 117 | 46 Ų | 46 | 63% | 0.626 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -70.2 | -12.7 | 175.1 | -66.6 | -4.4 | 0 | 0 | 0 | 113 | Y1095 | Y1095-N1224 HydrophobicContact CD2-CB 4.27Å; Y1095-N1224 HydrophobicContact CE2-CB 3.92Å; Y1095-N1224 VanDerWaalsContact CE2-O 3.25Å; Y1095-N1224 WeakPolarHBondContact CE2-O 3.49Å; Y1095-N1224 PolarHBondContact OH-O 3.27Å; Y1095-N1224 VanDerWaalsContact OH-O 3.04Å |
| 1225 | T | 79.1 | Confident | 85.3 | Confident | 91 Ų | 91 | 48.6 Ų | 48.6 | 56% | 0.558 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -110.4 | -11 | 177.3 | 56.8 | 0 | 0 | 0 | 0 | 113.1 | S1223 | S1223-T1225 PolarHBondContact O-N 2.66Å; S1223-T1225 PolarHBondContact OG-N 3.17Å; S1223-T1225 PolarHBondContact OG-OG1 2.69Å |
| 1226 | V | 89 | Confident | 84.5 | Confident | 13 Ų | 13 | 50.2 Ų | 50.2 | 8% | 0.079 | 27% | 0.272 | C | S | . | . | trans | -133.5 | 108.6 | -177.6 | -177.4 | 0 | 0 | 0 | 0 | 110 | P1115 I1134 V1175 V1220 F1222 S1223 | P1115-V1226 VanDerWaalsContact O-CA 3.27Å; P1115-V1226 WeakPolarHBondContact O-CA 3.19Å; I1134-V1226 HydrophobicContact CD1-CG1 4.39Å; V1175-V1226 HydrophobicContact CG1-CG1 3.55Å; V1175-V1226 HydrophobicContact CG1-CG2 4.15Å; V1220-V1226 HydrophobicContact CG1-CG1 3.59Å; F1222-V1226 CarbonylContact C-O 3.6Å; F1222-V1226 VanDerWaalsContact CA-O 3.24Å; F1222-V1226 WeakPolarHBondContact CA-O 3.03Å; F1222-V1226 WeakPolarHBondContact CB-O 3.37Å; S1223-V1226 PolarHBondContact N-O 2.7Å; S1223-V1226 PolarHBondContact O-N 2.94Å; S1223-V1226 VanDerWaalsContact O-O 3.1Å; S1223-V1226 PolarHBondContact OG-N 2.99Å | ||
| 1227 | R | 89.7 | Confident | 83.8 | Confident | 27 Ų | 27 | 57.3 Ų | 57.3 | 10% | 0.102 | 30% | 0.302 | C | S | . | . | trans | -142.2 | 153.9 | 177.4 | -68.6 | -164.5 | 169.2 | -154.9 | -4.6 | 111.3 | T1088 D1092 Y1095 P1115 W1116 I1134 S1223 | T1088-R1227 HydrophobicContact CG2-CB 4.38Å; T1088-R1227 HydrophobicContact CG2-CG 3.99Å; D1092-R1227 IonicContact OD2-NH1 2.72Å; D1092-R1227 PolarHBondContact OD2-NH1 3.32Å; Y1095-R1227 HydrophobicContact CE1-CG 4.46Å; Y1095-R1227 VanDerWaalsContact CG-NH1 3.34Å; P1115-R1227 CarbonylContact C-O 3.58Å; P1115-R1227 HydrophobicContact CB-CB 4.08Å; P1115-R1227 HydrophobicContact CB-CG 4.45Å; P1115-R1227 HydrophobicContact CG-CB 3.9Å; P1115-R1227 HydrophobicContact CG-CG 4.48Å; P1115-R1227 PolarHBondContact O-N 3.44Å; W1116-R1227 WeakPolarHBondContact CA-O 3.17Å; W1116-R1227 WeakPolarHBondContact CB-O 3.35Å; W1116-R1227 PolarHBondContact N-O 2.99Å; I1134-R1227 VanDerWaalsContact CG2-O 3.23Å; I1134-R1227 WeakPolarHBondContact CG2-O 3.32Å; S1223-R1227 VanDerWaalsContact O-CG 3.3Å; S1223-R1227 WeakPolarHBondContact O-CG 3.42Å | ||
| 1228 | P | 91.7 | Very high | 83 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -85.6 | 148.4 | -176.9 | 34.1 | -33.1 | 0 | 0 | 0 | 113 | C1090 G1091 I1134 Q1136 F1222 | C1090-P1228 WeakPolarHBondContact CA-O 3.35Å; C1090-P1228 HydrophobicContact CB-CG 4.46Å; G1091-P1228 PolarHBondContact N-O 3.5Å; I1134-P1228 WeakPolarHBondContact O-CA 3.45Å; Q1136-P1228 HydrophobicContact CB-CB 3.91Å; Q1136-P1228 HydrophobicContact CB-CG 4.1Å; F1222-P1228 HydrophobicContact CD2-CG 4.43Å; F1222-P1228 HydrophobicContact CE1-CB 4.12Å; F1222-P1228 HydrophobicContact CE1-CG 3.87Å; F1222-P1228 HydrophobicContact CE2-CG 3.71Å; F1222-P1228 HydrophobicContact CZ-CB 3.9Å; F1222-P1228 HydrophobicContact CZ-CG 3.4Å; F1222-P1228 VanDerWaalsContact CZ-CG 3.4Å |
| 1229 | I | 92.1 | Very high | 81.9 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | B | Isolated β-bridge | trans | -89.3 | 153.1 | 168.1 | -165.7 | 163.3 | 0 | 0 | 0 | 111.1 | W1116 I1134 V1135 M1300 V1307 Q1309 | W1116-I1229 HydrophobicContact CB-CB 4.23Å; W1116-I1229 HydrophobicContact CD2-CB 3.76Å; W1116-I1229 HydrophobicContact CD2-CD1 4.26Å; W1116-I1229 HydrophobicContact CD2-CG1 4.26Å; W1116-I1229 HydrophobicContact CE3-CB 4.05Å; W1116-I1229 HydrophobicContact CG-CB 3.85Å; W1116-I1229 HydrophobicContact CG-CD1 4.49Å; W1116-I1229 HydrophobicContact CG-CG2 4.47Å; W1116-I1229 HydrophobicContact CZ2-CD1 4.12Å; W1116-I1229 HydrophobicContact CZ2-CG1 4.48Å; I1134-I1229 PolarHBondContact O-N 2.88Å; V1135-I1229 HydrophobicContact CG1-CG2 3.84Å; I1229-M1300 HydrophobicContact CD1-CB 4.18Å; I1229-M1300 HydrophobicContact CD1-CG 3.63Å; I1229-M1300 HydrophobicContact CD1-SD 4.18Å; I1229-V1307 HydrophobicContact CD1-CG1 3.88Å; I1229-V1307 HydrophobicContact CG1-CG1 4.41Å; I1229-V1307 WeakPolarHBondContact CG1-O 3.46Å; I1229-Q1309 HydrophobicContact CD1-CB 3.85Å; I1229-Q1309 HydrophobicContact CG1-CB 4.18Å; I1229-Q1309 HydrophobicContact CG2-CB 4.06Å |
| 1230 | C | 89.6 | Confident | 80.5 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | B | Isolated β-bridge | trans | -79.9 | 152.2 | 175.4 | -60.7 | 0 | 0 | 0 | 0 | 112.4 | C1090 V1307 F1308 Q1309 | C1090-C1230 HydrophobicContact CB-CB 4.02Å; C1090-C1230 WeakPolarHBondContact CB-SG 3.46Å; C1090-C1230 PolarHBondContact O-SG 2.86Å; C1090-C1230 VanDerWaalsContact SG-CA 3.52Å; C1090-C1230 WeakPolarHBondContact SG-CB 3.47Å; C1090-C1230 CovalentContact SG-SG 2.05Å; C1090-C1230 PolarHBondContact SG-SG 3.22Å; C1230-V1307 PolarHBondContact N-O 2.84Å; C1230-F1308 HydrophobicContact CB-CD1 3.47Å; C1230-F1308 VanDerWaalsContact CB-CD1 3.47Å; C1230-F1308 HydrophobicContact CB-CD2 4.45Å; C1230-F1308 HydrophobicContact CB-CE1 3.5Å; C1230-F1308 VanDerWaalsContact CB-CE1 3.5Å; C1230-F1308 HydrophobicContact CB-CE2 4.49Å; C1230-F1308 HydrophobicContact CB-CG 3.98Å; C1230-F1308 HydrophobicContact CB-CZ 4.04Å; C1230-Q1309 PolarHBondContact O-N 3.32Å |
| 1231 | L | 88.4 | Confident | 79.2 | Confident | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.016 | 30% | 0.298 | C | S | . | . | trans | -105.2 | 137.5 | 169.1 | -58.3 | 168.5 | 0 | 0 | 0 | 110.1 | V1135 Q1139 L1151 Q1309 V1337 A1341 F1344 | V1135-L1231 HydrophobicContact CB-CD1 4.28Å; V1135-L1231 HydrophobicContact CB-CG 4.37Å; V1135-L1231 HydrophobicContact CG1-CD2 3.98Å; V1135-L1231 HydrophobicContact CG1-CG 4.28Å; V1135-L1231 HydrophobicContact CG2-CD1 4.44Å; Q1139-L1231 VanDerWaalsContact NE2-CB 3.32Å; Q1139-L1231 PolarHBondContact NE2-O 3.31Å; Q1139-L1231 VanDerWaalsContact OE1-N 3.13Å; Q1139-L1231 PolarHBondContact OE1-O 3.02Å; L1151-L1231 HydrophobicContact CD1-CD1 4.43Å; L1151-L1231 HydrophobicContact CD1-CD2 3.5Å; L1151-L1231 VanDerWaalsContact CD1-CD2 3.5Å; L1231-Q1309 HydrophobicContact CD2-CB 4.43Å; L1231-V1337 HydrophobicContact CD2-CB 4.38Å; L1231-V1337 HydrophobicContact CD2-CG2 4.1Å; L1231-A1341 HydrophobicContact CB-CB 4.03Å; L1231-A1341 HydrophobicContact CD1-CB 4.04Å; L1231-F1344 HydrophobicContact CD1-CD2 4.14Å; L1231-F1344 HydrophobicContact CD1-CE2 4.22Å | ||
| 1232 | P | 82.4 | Confident | 78.3 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -65 | 143.4 | -179.1 | 28.2 | -36.7 | 0 | 0 | 0 | 111.3 | Q1309 Y1310 V1337 | P1232-Q1309 WeakPolarHBondContact CD-O 3.27Å; P1232-Y1310 HydrophobicContact CB-CD1 3.85Å; P1232-Y1310 HydrophobicContact CB-CE1 3.52Å; P1232-Y1310 HydrophobicContact CG-CD1 3.76Å; P1232-Y1310 HydrophobicContact CG-CE1 3.99Å; P1232-Y1310 HydrophobicContact CG-CG 4.31Å; P1232-V1337 HydrophobicContact CG-CG2 3.89Å |
| 1233 | P | 73.3 | Confident | 77.7 | Confident | 47 Ų | 47 | 52 Ų | 52 | 31% | 0.305 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -53.2 | 149.8 | 166.4 | 2.2 | -11.3 | 0 | 0 | 0 | 112 | Y1140 G1235 Q1236 H1338 | Y1140-P1233 WeakPolarHBondContact OH-CB 3.44Å; Y1140-P1233 VanDerWaalsContact OH-CG 3.28Å; Y1140-P1233 WeakPolarHBondContact OH-CG 3.3Å; P1233-G1235 PolarHBondContact O-N 3.2Å; P1233-Q1236 HydrophobicContact CG-CB 4.36Å; P1233-Q1236 VanDerWaalsContact CG-OE1 3.24Å; P1233-Q1236 WeakPolarHBondContact O-CB 3.29Å; P1233-Q1236 PolarHBondContact O-N 3.32Å; P1233-Q1236 VanDerWaalsContact O-N 3.07Å; P1233-H1338 PolarHBondContact O-CD2 2.89Å |
| 1234 | Y | 73.8 | Confident | 77.9 | Confident | 166 Ų | 166 | 50 Ų | 50 | 65% | 0.651 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 126.3 | -176.2 | -175.8 | -101.1 | 0 | 0 | 0 | 112.2 | Q1236 H1338 | Y1234-Q1236 VanDerWaalsContact C-N 3.33Å; Y1234-Q1236 PolarHBondContact O-N 2.84Å; Y1234-H1338 HydrophobicContact CD2-CB 4.14Å; Y1234-H1338 HydrophobicContact CE2-CB 4.42Å |
| 1235 | G | 70.6 | Confident | 78.4 | Confident | 54 Ų | 54 | 44.5 Ų | 44.5 | 56% | 0.557 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.3 | -7.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116 | P1233 K1237 H1338 | P1233-G1235 PolarHBondContact O-N 3.2Å; G1235-K1237 PolarHBondContact O-N 3.03Å; G1235-H1338 PolarHBondContact N-CD2 2.86Å; G1235-H1338 VanDerWaalsContact N-CD2 3.28Å |
| 1236 | Q | 76.4 | Confident | 79 | Confident | 71 Ų | 71 | 40.2 Ų | 40.2 | 33% | 0.332 | 21% | 0.214 | S | C | . | . | P | Polyproline II helix | trans | -71.7 | 124.7 | 179.6 | -167.8 | -175.3 | 14 | 0 | 0 | 110.9 | P1233 Y1234 Y1310 H1338 | P1233-Q1236 HydrophobicContact CG-CB 4.36Å; P1233-Q1236 VanDerWaalsContact CG-OE1 3.24Å; P1233-Q1236 WeakPolarHBondContact O-CB 3.29Å; P1233-Q1236 PolarHBondContact O-N 3.32Å; P1233-Q1236 VanDerWaalsContact O-N 3.07Å; Y1234-Q1236 VanDerWaalsContact C-N 3.33Å; Y1234-Q1236 PolarHBondContact O-N 2.84Å; Q1236-Y1310 VanDerWaalsContact O-CE1 3.29Å; Q1236-Y1310 WeakPolarHBondContact O-CE1 3.42Å; Q1236-H1338 PolarHBondContact O-CE1 3.44Å; Q1236-H1338 PolarHBondContact O-NE2 3.45Å |
| 1237 | K | 78.4 | Confident | 79 | Confident | 148 Ų | 148 | 39.6 Ų | 39.6 | 64% | 0.643 | 21% | 0.211 | S | C | * | . | P | Polyproline II helix | trans | -90.1 | 154.1 | 172.3 | -68.4 | -178.3 | -178.2 | 175.4 | 0 | 110.9 | G1235 | G1235-K1237 PolarHBondContact O-N 3.03Š|
| 1238 | P | 74 | Confident | 79 | Confident | 9 Ų | 9 | 38.3 Ų | 38.3 | 6% | 0.058 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -54.9 | 130.9 | 171.3 | -20 | 28.5 | 0 | 0 | 0 | 110.6 | L1263 Y1282 Y1310 | P1238-L1263 HydrophobicContact CB-CD1 3.49Å; P1238-L1263 VanDerWaalsContact CB-CD1 3.49Å; P1238-L1263 HydrophobicContact CG-CD1 3.66Å; P1238-Y1282 VanDerWaalsContact CD-CE1 3.4Å; P1238-Y1282 HydrophobicContact CG-CD1 4.2Å; P1238-Y1282 HydrophobicContact CG-CE1 3.94Å; P1238-Y1310 HydrophobicContact CB-CD2 4.31Å; P1238-Y1310 HydrophobicContact CB-CE1 4.49Å; P1238-Y1310 HydrophobicContact CB-CE2 4.22Å; P1238-Y1310 HydrophobicContact CB-CG 4.46Å; P1238-Y1310 HydrophobicContact CG-CD1 3.69Å; P1238-Y1310 HydrophobicContact CG-CD2 3.94Å; P1238-Y1310 HydrophobicContact CG-CE1 4.03Å; P1238-Y1310 HydrophobicContact CG-CE2 4.24Å; P1238-Y1310 HydrophobicContact CG-CG 3.63Å |
| 1239 | P | 68 | Low | 78.9 | Confident | 40 Ų | 40 | 38.7 Ų | 38.7 | 26% | 0.26 | 21% | 0.207 | S | C | . | . | P | Polyproline II helix | trans | -56.2 | 145.9 | 172.8 | -25 | 34.4 | 0 | 0 | 0 | 112 | D1241 S1242 V1303 | P1239-D1241 WeakPolarHBondContact CB-OD1 3.43Å; P1239-D1241 PolarHBondContact O-N 3.48Å; P1239-S1242 WeakPolarHBondContact O-CB 3.24Å; P1239-S1242 PolarHBondContact O-N 2.96Å; P1239-S1242 VanDerWaalsContact O-N 3.09Å; P1239-S1242 PolarHBondContact O-OG 3.24Å; P1239-V1303 HydrophobicContact CG-CG1 4.19Å; P1239-V1303 HydrophobicContact CG-CG2 4.11Å |
| 1240 | L | 56.5 | Low | 78.6 | Confident | 150 Ų | 150 | 40.4 Ų | 40.4 | 79% | 0.785 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65 | -24.5 | -177 | -75.6 | 165.8 | 0 | 0 | 0 | 113.5 | ||
| 1241 | D | 60.9 | Low | 78.3 | Confident | 55 Ų | 55 | 45.8 Ų | 45.8 | 29% | 0.294 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -16.8 | 176.8 | 63.6 | -36.7 | 0 | 0 | 0 | 113.5 | P1239 Y1509 | P1239-D1241 WeakPolarHBondContact CB-OD1 3.43Å; P1239-D1241 PolarHBondContact O-N 3.48Å; D1241-Y1509 HydrophobicContact CB-CE1 3.66Å |
| 1242 | S | 67.1 | Low | 78 | Confident | 19 Ų | 19 | 50 Ų | 50 | 13% | 0.133 | 27% | 0.267 | C | S | . | . | trans | -58.2 | 139.5 | -177.9 | 67.5 | 0 | 0 | 0 | 0 | 112.2 | P1239 I1302 | P1239-S1242 WeakPolarHBondContact O-CB 3.24Å; P1239-S1242 PolarHBondContact O-N 2.96Å; P1239-S1242 VanDerWaalsContact O-N 3.09Å; P1239-S1242 PolarHBondContact O-OG 3.24Å; S1242-I1302 WeakPolarHBondContact CB-O 3.26Å | ||
| 1243 | S | 73.2 | Confident | 77.9 | Confident | 31 Ų | 31 | 54.4 Ų | 54.4 | 22% | 0.217 | 29% | 0.288 | C | S | . | . | trans | -95.2 | 122.5 | 173.2 | -63.8 | 0 | 0 | 0 | 0 | 108.4 | F1245 C1301 I1302 | S1243-F1245 VanDerWaalsContact O-CE2 3.32Å; S1243-F1245 WeakPolarHBondContact O-CE2 3.35Å; S1243-C1301 WeakPolarHBondContact O-CA 3.48Å; S1243-I1302 PolarHBondContact O-N 2.88Å | ||
| 1244 | C | 85.2 | Confident | 78.4 | Confident | 7 Ų | 7 | 55.4 Ų | 55.4 | 5% | 0.047 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 145.3 | -174.6 | -56.7 | 0 | 0 | 0 | 0 | 112.3 | A1261 L1263 L1299 M1300 C1301 | C1244-A1261 WeakPolarHBondContact CB-O 3.37Å; C1244-A1261 CarbonylContact O-C 3.44Å; C1244-A1261 PolarHBondContact O-N 2.92Å; C1244-L1263 HydrophobicContact CB-CG 4.49Å; C1244-L1299 HydrophobicContact CB-CD1 4.22Å; C1244-M1300 CarbonylContact C-O 3.48Å; C1244-M1300 WeakPolarHBondContact CA-O 3.38Å; C1244-C1301 HydrophobicContact CB-CB 4.14Å; C1244-C1301 WeakPolarHBondContact CB-SG 3.3Å; C1244-C1301 WeakPolarHBondContact SG-CB 3.32Å; C1244-C1301 CovalentContact SG-SG 2.05Å; C1244-C1301 PolarHBondContact SG-SG 3.11Å |
| 1245 | F | 87.5 | Confident | 78.9 | Confident | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.009 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 163.7 | -171.8 | -51.2 | -81.3 | 0 | 0 | 0 | 110.6 | M1101 A1104 S1243 V1259 D1260 M1300 I1302 | M1101-F1245 HydrophobicContact CE-CZ 4.16Å; M1101-F1245 HydrophobicContact SD-CE2 4.05Å; M1101-F1245 HydrophobicContact SD-CZ 3.59Å; M1101-F1245 VanDerWaalsContact SD-CZ 3.59Å; A1104-F1245 HydrophobicContact CB-CD1 3.7Å; A1104-F1245 HydrophobicContact CB-CE1 3.21Å; A1104-F1245 HydrophobicContact CB-CE2 4.13Å; A1104-F1245 HydrophobicContact CB-CG 4.34Å; A1104-F1245 HydrophobicContact CB-CZ 3.46Å; A1104-F1245 VanDerWaalsContact CB-CZ 3.46Å; S1243-F1245 VanDerWaalsContact O-CE2 3.32Å; S1243-F1245 WeakPolarHBondContact O-CE2 3.35Å; F1245-V1259 CarbonylContact C-O 3.46Å; F1245-V1259 WeakPolarHBondContact CA-O 3.47Å; F1245-D1260 WeakPolarHBondContact CE1-OD1 3.44Å; F1245-M1300 HydrophobicContact CB-CE 4.31Å; F1245-M1300 PolarHBondContact N-O 3.03Å; F1245-M1300 PolarHBondContact O-N 3.41Å; F1245-I1302 HydrophobicContact CD2-CD1 4.5Å; F1245-I1302 HydrophobicContact CE2-CD1 3.6Å; F1245-I1302 HydrophobicContact CE2-CG1 4.05Å; F1245-I1302 HydrophobicContact CZ-CD1 4.35Å |
| 1246 | M | 90.2 | Very high | 79.7 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 151.8 | 171.3 | 79.2 | 167.2 | 82.6 | 0 | 0 | 110.6 | V1248 V1259 A1261 Y1286 S1297 P1298 F1334 | M1246-V1248 HydrophobicContact CG-CG1 4.12Å; M1246-V1248 HydrophobicContact SD-CG1 4.1Å; M1246-V1259 PolarHBondContact N-O 3.33Å; M1246-V1259 PolarHBondContact O-N 2.99Å; M1246-A1261 HydrophobicContact CB-CB 4Å; M1246-A1261 HydrophobicContact CE-CB 3.67Å; M1246-A1261 HydrophobicContact CG-CB 4.19Å; M1246-Y1286 HydrophobicContact CE-CD2 3.57Å; M1246-Y1286 HydrophobicContact CE-CE2 4.11Å; M1246-Y1286 HydrophobicContact SD-CD2 3.87Å; M1246-Y1286 HydrophobicContact SD-CE2 3.77Å; M1246-S1297 WeakPolarHBondContact CB-OG 3.41Å; M1246-P1298 WeakPolarHBondContact CA-O 3.46Å; M1246-F1334 HydrophobicContact CB-CE1 4.44Å; M1246-F1334 HydrophobicContact CB-CZ 4.39Å; M1246-F1334 HydrophobicContact CE-CE1 4.39Å; M1246-F1334 HydrophobicContact CE-CE2 4.11Å; M1246-F1334 HydrophobicContact CE-CZ 3.41Å; M1246-F1334 VanDerWaalsContact CE-CZ 3.41Å; M1246-F1334 HydrophobicContact SD-CZ 4.2Å |
| 1247 | S | 89.7 | Confident | 80 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 134.8 | 174.9 | -32.2 | 0 | 0 | 0 | 0 | 110.2 | N1117 L1131 E1258 S1297 M1300 | N1117-S1247 VanDerWaalsContact OD1-CB 3.24Å; N1117-S1247 WeakPolarHBondContact OD1-CB 3.39Å; N1117-S1247 PolarHBondContact OD1-OG 3.48Å; L1131-S1247 WeakPolarHBondContact CD1-O 3.44Å; S1247-E1258 WeakPolarHBondContact CA-OE2 3.42Å; S1247-E1258 WeakPolarHBondContact CB-OE2 3.48Å; S1247-E1258 PolarHBondContact N-OE2 3.08Å; S1247-E1258 PolarHBondContact OG-OE2 2.84Å; S1247-E1258 VanDerWaalsContact OG-OE2 3.1Å; S1247-S1297 PolarHBondContact N-OG 2.99Å; S1247-S1297 WeakPolarHBondContact O-CB 3.49Å; S1247-S1297 PolarHBondContact O-OG 3.44Å; S1247-M1300 WeakPolarHBondContact OG-CE 3.24Å |
| 1248 | V | 89.8 | Confident | 80.3 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 146.1 | 175.1 | -59.6 | 0 | 0 | 0 | 0 | 111 | M1246 Y1250 I1256 D1257 V1259 A1294 | M1246-V1248 HydrophobicContact CG-CG1 4.12Å; M1246-V1248 HydrophobicContact SD-CG1 4.1Å; V1248-Y1250 HydrophobicContact CG2-CD2 4.05Å; V1248-Y1250 HydrophobicContact CG2-CE2 3.5Å; V1248-I1256 WeakPolarHBondContact O-CA 3.47Å; V1248-D1257 PolarHBondContact N-O 3.38Å; V1248-D1257 PolarHBondContact O-N 3.46Å; V1248-V1259 HydrophobicContact CG1-CG2 4.38Å; V1248-V1259 HydrophobicContact CG2-CG2 3.51Å; V1248-A1294 HydrophobicContact CG1-CB 4.27Å |
| 1249 | Y | 89.5 | Confident | 80.6 | Confident | 8 Ų | 8 | 39.4 Ų | 39.4 | 3% | 0.031 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 116.4 | 173.1 | 173 | -100.2 | 0 | 0 | 0 | 110.3 | P1128 Y1180 K1251 N1254 I1256 V1292 L1293 | P1128-Y1249 HydrophobicContact CG-CD1 3.55Å; P1128-Y1249 HydrophobicContact CG-CD2 4.27Å; P1128-Y1249 HydrophobicContact CG-CE1 3.26Å; P1128-Y1249 HydrophobicContact CG-CE2 4.04Å; P1128-Y1249 HydrophobicContact CG-CG 4.04Å; Y1180-Y1249 PolarHBondContact O-OH 3.31Å; Y1249-K1251 HydrophobicContact CD1-CG 3.98Å; Y1249-K1251 HydrophobicContact CE1-CB 4.27Å; Y1249-K1251 HydrophobicContact CE1-CG 3.85Å; Y1249-K1251 PolarHBondContact O-N 3.33Å; Y1249-N1254 PolarHBondContact OH-OD1 2.98Å; Y1249-I1256 HydrophobicContact CD2-CG1 4.07Å; Y1249-V1292 CarbonylContact O-C 3.59Å; Y1249-V1292 VanDerWaalsContact O-CA 3.31Å; Y1249-V1292 WeakPolarHBondContact O-CA 3.36Å; Y1249-L1293 HydrophobicContact CD1-CB 4.11Å; Y1249-L1293 HydrophobicContact CD1-CD2 4.45Å; Y1249-L1293 PolarHBondContact N-O 2.85Å; Y1249-L1293 PolarHBondContact O-N 3.42Å |
| 1250 | Y | 86.4 | Confident | 81 | Confident | 37 Ų | 37 | 40.6 Ų | 40.6 | 15% | 0.145 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 109.5 | 175.5 | -76.4 | -81.8 | 0 | 0 | 0 | 109.9 | V1248 S1252 E1253 N1254 R1255 D1257 V1292 | V1248-Y1250 HydrophobicContact CG2-CD2 4.05Å; V1248-Y1250 HydrophobicContact CG2-CE2 3.5Å; Y1250-S1252 VanDerWaalsContact C-N 3.3Å; Y1250-S1252 PolarHBondContact O-N 2.73Å; Y1250-E1253 PolarHBondContact O-N 2.83Å; Y1250-N1254 PolarHBondContact O-N 3.25Å; Y1250-R1255 PolarHBondContact N-O 3.04Å; Y1250-D1257 HydrophobicContact CD2-CB 3.88Å; Y1250-D1257 HydrophobicContact CE2-CB 3.74Å; Y1250-V1292 HydrophobicContact CD1-CG1 3.56Å; Y1250-V1292 HydrophobicContact CE1-CG1 3.56Å; Y1250-V1292 HydrophobicContact CG-CG1 4.26Å |
| 1251 | K | 83.7 | Confident | 82.3 | Confident | 112 Ų | 112 | 33.4 Ų | 33.4 | 49% | 0.487 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -31.5 | -174.8 | -61.6 | -179.1 | -179.8 | 178.9 | 0 | 113.1 | Y1249 N1254 Y1291 | Y1249-K1251 HydrophobicContact CD1-CG 3.98Å; Y1249-K1251 HydrophobicContact CE1-CB 4.27Å; Y1249-K1251 HydrophobicContact CE1-CG 3.85Å; Y1249-K1251 PolarHBondContact O-N 3.33Å; K1251-N1254 PolarHBondContact O-OD1 3.48Å; K1251-Y1291 WeakPolarHBondContact CB-O 3.11Å; K1251-Y1291 WeakPolarHBondContact CG-O 3.14Å; K1251-Y1291 PolarHBondContact N-O 2.85Å |
| 1252 | S | 80.8 | Confident | 82.9 | Confident | 93 Ų | 93 | 31.8 Ų | 31.8 | 65% | 0.65 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -34.2 | 178 | 50.3 | 0 | 0 | 0 | 0 | 112.9 | Y1250 | Y1250-S1252 VanDerWaalsContact C-N 3.3Å; Y1250-S1252 PolarHBondContact O-N 2.73Å |
| 1253 | E | 81 | Confident | 83.2 | Confident | 93 Ų | 93 | 32.3 Ų | 32.3 | 44% | 0.435 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -7 | -175.3 | -59.7 | 179.7 | 155 | 0 | 0 | 112.7 | Y1250 R1255 | Y1250-E1253 PolarHBondContact O-N 2.83Å; E1253-R1255 HydrophobicContact CB-CG 3.85Å; E1253-R1255 PolarHBondContact O-N 3.13Å; E1253-R1255 IonicContact OE1-CZ 2.66Å; E1253-R1255 IonicContact OE1-NH2 3.17Å; E1253-R1255 PolarHBondContact OE1-NH2 3.09Å; E1253-R1255 IonicContact OE2-CZ 3.74Å; E1253-R1255 IonicContact OE2-NE 2.94Å; E1253-R1255 PolarHBondContact OE2-NE 3.45Å; E1253-R1255 IonicContact OE2-NH2 3.67Å; E1253-R1255 PolarHBondContact OE2-NH2 3.24Å |
| 1254 | N | 83.3 | Confident | 83 | Confident | 67 Ų | 67 | 31 Ų | 31 | 36% | 0.358 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 38.3 | -178.9 | -72.3 | -34.5 | 0 | 0 | 0 | 112.7 | Y1180 Y1249 Y1250 K1251 | Y1180-N1254 PolarHBondContact N-O 3.44Å; Y1180-N1254 CarbonylContact O-C 3.36Å; Y1180-N1254 WeakPolarHBondContact O-CA 3.34Å; Y1180-N1254 WeakPolarHBondContact O-CB 3.31Å; Y1249-N1254 PolarHBondContact OH-OD1 2.98Å; Y1250-N1254 PolarHBondContact O-N 3.25Å; K1251-N1254 PolarHBondContact O-OD1 3.48Å |
| 1255 | R | 84.8 | Confident | 81.8 | Confident | 68 Ų | 68 | 36.2 Ų | 36.2 | 26% | 0.257 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 153 | -178.3 | 71.5 | 176.1 | 174.3 | -163.4 | -8.8 | 112.5 | K1179 Y1250 E1253 | K1179-R1255 HydrophobicContact CG-CB 4.37Å; Y1250-R1255 PolarHBondContact N-O 3.04Å; E1253-R1255 HydrophobicContact CB-CG 3.85Å; E1253-R1255 PolarHBondContact O-N 3.13Å; E1253-R1255 IonicContact OE1-CZ 2.66Å; E1253-R1255 IonicContact OE1-NH2 3.17Å; E1253-R1255 PolarHBondContact OE1-NH2 3.09Å; E1253-R1255 IonicContact OE2-CZ 3.74Å; E1253-R1255 IonicContact OE2-NE 2.94Å; E1253-R1255 PolarHBondContact OE2-NE 3.45Å; E1253-R1255 IonicContact OE2-NH2 3.67Å; E1253-R1255 PolarHBondContact OE2-NH2 3.24Å |
| 1256 | I | 86.8 | Confident | 80.5 | Confident | 3 Ų | 3 | 37.3 Ų | 37.3 | 2% | 0.015 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 141.1 | 168.6 | -59.7 | 176.4 | 0 | 0 | 0 | 107.8 | V1113 V1119 L1131 V1177 T1178 V1248 Y1249 | V1113-I1256 HydrophobicContact CG1-CB 4.36Å; V1113-I1256 HydrophobicContact CG1-CG2 4.12Å; V1113-I1256 VanDerWaalsContact CG2-O 3.29Å; V1113-I1256 WeakPolarHBondContact CG2-O 3.38Å; V1119-I1256 HydrophobicContact CG2-CD1 3.75Å; L1131-I1256 HydrophobicContact CD2-CD1 3.98Å; L1131-I1256 HydrophobicContact CD2-CG1 4.41Å; V1177-I1256 HydrophobicContact CB-CD1 4.19Å; V1177-I1256 HydrophobicContact CG1-CD1 3.97Å; T1178-I1256 PolarHBondContact O-N 3.27Å; T1178-I1256 VanDerWaalsContact O-N 3.1Å; V1248-I1256 WeakPolarHBondContact O-CA 3.47Å; Y1249-I1256 HydrophobicContact CD2-CG1 4.07Å |
| 1257 | D | 82.7 | Confident | 79 | Confident | 6 Ų | 6 | 37.3 Ų | 37.3 | 3% | 0.032 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 155.3 | 179.1 | -163.2 | 11.4 | 0 | 0 | 0 | 109.2 | K1111 V1248 Y1250 | K1111-D1257 WeakPolarHBondContact CD-OD2 3.4Å; K1111-D1257 WeakPolarHBondContact CE-OD2 3.49Å; K1111-D1257 IonicContact NZ-OD2 2.69Å; K1111-D1257 PolarHBondContact NZ-OD2 3.3Å; V1248-D1257 PolarHBondContact N-O 3.38Å; V1248-D1257 PolarHBondContact O-N 3.46Å; Y1250-D1257 HydrophobicContact CD2-CB 3.88Å; Y1250-D1257 HydrophobicContact CE2-CB 3.74Å |
| 1258 | E | 85.4 | Confident | 78.1 | Confident | 11 Ų | 11 | 39.2 Ų | 39.2 | 5% | 0.051 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 134.3 | -175.2 | -51.3 | -59.3 | 170.2 | 0 | 0 | 110 | F1114 N1117 S1247 M1300 | F1114-E1258 VanDerWaalsContact CD2-CD 3.43Å; F1114-E1258 HydrophobicContact CD2-CG 3.69Å; F1114-E1258 HydrophobicContact CE2-CG 4.05Å; F1114-E1258 PolarHBondContact N-OE1 3.03Å; F1114-E1258 VanDerWaalsContact N-OE1 3.08Å; N1117-E1258 PolarHBondContact ND2-OE1 2.98Å; S1247-E1258 WeakPolarHBondContact CA-OE2 3.42Å; S1247-E1258 WeakPolarHBondContact CB-OE2 3.48Å; S1247-E1258 PolarHBondContact N-OE2 3.08Å; S1247-E1258 PolarHBondContact OG-OE2 2.84Å; S1247-E1258 VanDerWaalsContact OG-OE2 3.1Å; E1258-M1300 WeakPolarHBondContact OE2-CE 3.37Å |
| 1259 | V | 80 | Confident | 77.3 | Confident | 24 Ų | 24 | 39.5 Ų | 39.5 | 15% | 0.145 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 141.5 | -176.6 | -177.6 | 0 | 0 | 0 | 0 | 109.7 | F1245 M1246 V1248 A1261 P1287 | F1245-V1259 CarbonylContact C-O 3.46Å; F1245-V1259 WeakPolarHBondContact CA-O 3.47Å; M1246-V1259 PolarHBondContact N-O 3.33Å; M1246-V1259 PolarHBondContact O-N 2.99Å; V1248-V1259 HydrophobicContact CG1-CG2 4.38Å; V1248-V1259 HydrophobicContact CG2-CG2 3.51Å; V1259-A1261 PolarHBondContact O-N 3.45Å; V1259-P1287 HydrophobicContact CG1-CG 3.79Å |
| 1260 | D | 77.2 | Confident | 76.3 | Confident | 65 Ų | 65 | 43.6 Ų | 43.6 | 35% | 0.348 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.1 | 129.8 | 172.3 | -71.6 | -53.4 | 0 | 0 | 0 | 109.9 | F1245 P1262 R1518 | F1245-D1260 WeakPolarHBondContact CE1-OD1 3.44Å; D1260-P1262 VanDerWaalsContact C-CD 3.47Å; D1260-P1262 HydrophobicContact CB-CG 4.45Å; D1260-P1262 WeakPolarHBondContact O-CD 3.4Å; D1260-R1518 IonicContact OD1-NH1 2.94Å; D1260-R1518 PolarHBondContact OD1-NH1 3.12Å |
| 1261 | A | 82.3 | Confident | 75.3 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | trans | -124.3 | 68.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | C1244 M1246 V1259 L1263 A1284 L1299 | C1244-A1261 WeakPolarHBondContact CB-O 3.37Å; C1244-A1261 CarbonylContact O-C 3.44Å; C1244-A1261 PolarHBondContact O-N 2.92Å; M1246-A1261 HydrophobicContact CB-CB 4Å; M1246-A1261 HydrophobicContact CE-CB 3.67Å; M1246-A1261 HydrophobicContact CG-CB 4.19Å; V1259-A1261 PolarHBondContact O-N 3.45Å; A1261-L1263 PolarHBondContact O-N 3.12Å; A1261-A1284 HydrophobicContact CB-CB 4.25Å; A1261-L1299 HydrophobicContact CB-CD1 4.14Å | ||
| 1262 | P | 73.5 | Confident | 74.4 | Confident | 20 Ų | 20 | 42.6 Ų | 42.6 | 13% | 0.13 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -67.9 | 126.7 | -173.7 | -8.8 | 22 | 0 | 0 | 0 | 111.4 | D1260 A1284 Y1285 Y1556 | D1260-P1262 VanDerWaalsContact C-CD 3.47Å; D1260-P1262 HydrophobicContact CB-CG 4.45Å; D1260-P1262 WeakPolarHBondContact O-CD 3.4Å; P1262-A1284 CarbonylContact O-C 3.59Å; P1262-A1284 WeakPolarHBondContact O-CA 3.07Å; P1262-A1284 WeakPolarHBondContact O-CB 3.03Å; P1262-Y1285 HydrophobicContact CB-CD2 4.27Å; P1262-Y1285 PolarHBondContact O-N 2.86Å; P1262-Y1556 HydrophobicContact CB-CE2 3.96Å; P1262-Y1556 HydrophobicContact CG-CE2 3.84Å |
| 1263 | L | 75 | Confident | 73.8 | Confident | 31 Ų | 31 | 39.1 Ų | 39.1 | 16% | 0.162 | 20% | 0.198 | C | C | . | . | B | Isolated β-bridge | trans | -67.1 | 138.2 | 178.9 | -71.2 | 173.3 | 0 | 0 | 0 | 112.3 | P1238 C1244 A1261 A1284 L1299 | P1238-L1263 HydrophobicContact CB-CD1 3.49Å; P1238-L1263 VanDerWaalsContact CB-CD1 3.49Å; P1238-L1263 HydrophobicContact CG-CD1 3.66Å; C1244-L1263 HydrophobicContact CB-CG 4.49Å; A1261-L1263 PolarHBondContact O-N 3.12Å; L1263-A1284 HydrophobicContact CD2-CB 4.36Å; L1263-L1299 HydrophobicContact CD2-CD1 4.48Å; L1263-L1299 HydrophobicContact CD2-CD2 4.03Å |
| 1264 | V | 67.2 | Low | 73.3 | Confident | 3 Ų | 3 | 38.4 Ų | 38.4 | 2% | 0.018 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -91.1 | 118.6 | 177.5 | -161.5 | 0 | 0 | 0 | 0 | 110.2 | G1266 G1267 S1268 F1272 C1283 Y1285 L1331 | V1264-G1266 PolarHBondContact O-N 3.26Å; V1264-G1267 CarbonylContact O-C 3.44Å; V1264-G1267 VanDerWaalsContact O-CA 3.28Å; V1264-G1267 WeakPolarHBondContact O-CA 3.48Å; V1264-G1267 PolarHBondContact O-N 2.82Å; V1264-S1268 PolarHBondContact O-N 3.34Å; V1264-S1268 VanDerWaalsContact O-N 3.15Å; V1264-F1272 HydrophobicContact CB-CE2 4Å; V1264-F1272 HydrophobicContact CB-CZ 4.35Å; V1264-F1272 HydrophobicContact CG1-CD2 4.26Å; V1264-F1272 HydrophobicContact CG1-CE1 4.14Å; V1264-F1272 HydrophobicContact CG1-CE2 3.24Å; V1264-F1272 HydrophobicContact CG1-CZ 3.15Å; V1264-C1283 PolarHBondContact N-O 3.37Å; V1264-Y1285 HydrophobicContact CG1-CE2 4.37Å; V1264-Y1285 HydrophobicContact CG2-CD2 3.92Å; V1264-Y1285 HydrophobicContact CG2-CE1 4.44Å; V1264-Y1285 HydrophobicContact CG2-CE2 3.84Å; V1264-Y1285 HydrophobicContact CG2-CG 4.28Å; V1264-L1331 HydrophobicContact CG2-CD2 3.62Å |
| 1265 | F | 60.4 | Low | 72.6 | Confident | 116 Ų | 116 | 41.3 Ų | 41.3 | 51% | 0.509 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | 45.3 | 54.2 | -178.9 | -68.2 | -73.9 | 0 | 0 | 0 | 113.8 | G1267 F1272 | F1265-G1267 PolarHBondContact O-N 3.13Å; F1265-F1272 AromaticContact CD2-CE2 3.87Å; F1265-F1272 HydrophobicContact CD2-CE2 3.87Å; F1265-F1272 AromaticContact CD2-CZ 3.53Å; F1265-F1272 HydrophobicContact CD2-CZ 3.53Å; F1265-F1272 HydrophobicContact CE2-CE2 4.43Å; F1265-F1272 AromaticContact CE2-CZ 3.66Å; F1265-F1272 HydrophobicContact CE2-CZ 3.66Å |
| 1266 | G | 60 | Low | 72 | Confident | 25 Ų | 25 | 38.2 Ų | 38.2 | 26% | 0.258 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | 68.5 | 18.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114 | V1264 | V1264-G1266 PolarHBondContact O-N 3.26Š|
| 1267 | G | 59.4 | Low | 71.1 | Confident | 2 Ų | 2 | 44.6 Ų | 44.6 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | 91.7 | 5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | V1264 F1265 C1269 Y1282 C1283 | V1264-G1267 CarbonylContact O-C 3.44Å; V1264-G1267 VanDerWaalsContact O-CA 3.28Å; V1264-G1267 WeakPolarHBondContact O-CA 3.48Å; V1264-G1267 PolarHBondContact O-N 2.82Å; F1265-G1267 PolarHBondContact O-N 3.13Å; G1267-C1269 PolarHBondContact O-N 3.17Å; G1267-Y1282 WeakPolarHBondContact O-CA 3.44Å; G1267-C1283 PolarHBondContact O-N 2.94Å |
| 1268 | S | 70.1 | Confident | 70.5 | Confident | 40 Ų | 40 | 49.3 Ų | 49.3 | 28% | 0.28 | 25% | 0.25 | S | C | . | . | trans | -73.9 | 108.3 | -174.7 | -68.8 | 0 | 0 | 0 | 0 | 113.5 | V1264 | V1264-S1268 PolarHBondContact O-N 3.34Å; V1264-S1268 VanDerWaalsContact O-N 3.15Å | ||
| 1269 | C | 73.5 | Confident | 70.1 | Confident | 5 Ų | 5 | 49.4 Ų | 49.4 | 3% | 0.034 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -74.1 | -35 | -178.2 | -64 | 0 | 0 | 0 | 0 | 115.6 | G1267 K1271 F1272 N1273 L1276 C1283 F1333 | G1267-C1269 PolarHBondContact O-N 3.17Å; C1269-K1271 PolarHBondContact O-N 3.46Å; C1269-F1272 PolarHBondContact O-N 3.42Å; C1269-N1273 PolarHBondContact O-N 3.34Å; C1269-L1276 HydrophobicContact CB-CB 4.02Å; C1269-L1276 HydrophobicContact CB-CD1 3.94Å; C1269-C1283 WeakPolarHBondContact CA-SG 3.47Å; C1269-C1283 HydrophobicContact CB-CB 4.04Å; C1269-C1283 WeakPolarHBondContact CB-SG 3.25Å; C1269-C1283 VanDerWaalsContact SG-CA 3.56Å; C1269-C1283 WeakPolarHBondContact SG-CB 3.46Å; C1269-C1283 PolarHBondContact SG-N 3.32Å; C1269-C1283 CovalentContact SG-SG 2.02Å; C1269-C1283 PolarHBondContact SG-SG 3.05Å; C1269-F1333 HydrophobicContact CB-CD2 4.27Å; C1269-F1333 HydrophobicContact CB-CE2 4.08Å; C1269-F1333 WeakPolarHBondContact SG-CD2 3.39Å; C1269-F1333 WeakPolarHBondContact SG-CE2 3.18Å |
| 1270 | H | 68.7 | Low | 70.2 | Confident | 95 Ų | 95 | 52.6 Ų | 52.6 | 44% | 0.44 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -57.2 | -23 | -170.6 | 68.1 | -92.3 | 0 | 0 | 0 | 114.3 | F1272 | H1270-F1272 VanDerWaalsContact C-N 3.31Š|
| 1271 | K | 66 | Low | 70.8 | Confident | 110 Ų | 110 | 50.3 Ų | 50.3 | 48% | 0.478 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -69.6 | -29.1 | 178.3 | -66.4 | -172 | 177.2 | 178.6 | 0 | 112.3 | C1269 I1321 | C1269-K1271 PolarHBondContact O-N 3.46Å; K1271-I1321 WeakPolarHBondContact O-CD1 3.41Å |
| 1272 | F | 64.6 | Low | 71.1 | Confident | 18 Ų | 18 | 51.3 Ų | 51.3 | 8% | 0.079 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | -24.3 | -171.2 | -60.8 | -80.7 | 0 | 0 | 0 | 113.7 | V1264 F1265 C1269 H1270 F1317 N1319 I1321 L1331 | V1264-F1272 HydrophobicContact CB-CE2 4Å; V1264-F1272 HydrophobicContact CB-CZ 4.35Å; V1264-F1272 HydrophobicContact CG1-CD2 4.26Å; V1264-F1272 HydrophobicContact CG1-CE1 4.14Å; V1264-F1272 HydrophobicContact CG1-CE2 3.24Å; V1264-F1272 HydrophobicContact CG1-CZ 3.15Å; F1265-F1272 AromaticContact CD2-CE2 3.87Å; F1265-F1272 HydrophobicContact CD2-CE2 3.87Å; F1265-F1272 AromaticContact CD2-CZ 3.53Å; F1265-F1272 HydrophobicContact CD2-CZ 3.53Å; F1265-F1272 HydrophobicContact CE2-CE2 4.43Å; F1265-F1272 AromaticContact CE2-CZ 3.66Å; F1265-F1272 HydrophobicContact CE2-CZ 3.66Å; C1269-F1272 PolarHBondContact O-N 3.42Å; H1270-F1272 VanDerWaalsContact C-N 3.31Å; F1272-F1317 HydrophobicContact CB-CE2 4.19Å; F1272-N1319 VanDerWaalsContact CD1-OD1 3.29Å; F1272-N1319 WeakPolarHBondContact CD1-OD1 3.47Å; F1272-I1321 HydrophobicContact CD1-CB 4.33Å; F1272-I1321 HydrophobicContact CD1-CD1 4.31Å; F1272-I1321 HydrophobicContact CD1-CG1 4.45Å; F1272-L1331 HydrophobicContact CB-CD1 3.85Å; F1272-L1331 HydrophobicContact CD1-CD1 4.07Å; F1272-L1331 HydrophobicContact CD2-CD1 4.14Å; F1272-L1331 HydrophobicContact CG-CD1 3.73Å |
| 1273 | N | 68.5 | Low | 71.7 | Confident | 19 Ų | 19 | 50.3 Ų | 50.3 | 10% | 0.102 | 26% | 0.255 | C | S | . | . | trans | -144.7 | 115.4 | 177.8 | -171.9 | -26.1 | 0 | 0 | 0 | 109.6 | C1269 H1275 L1276 F1317 | C1269-N1273 PolarHBondContact O-N 3.34Å; N1273-H1275 PolarHBondContact O-N 2.86Å; N1273-H1275 WeakPolarHBondContact OD1-CB 3.5Å; N1273-H1275 PolarHBondContact OD1-N 3.44Å; N1273-L1276 HydrophobicContact CB-CD1 3.9Å; N1273-L1276 HydrophobicContact CB-CG 4.05Å; N1273-L1276 PolarHBondContact O-N 3.27Å; N1273-F1317 HydrophobicContact CB-CD2 4.06Å; N1273-F1317 HydrophobicContact CB-CE2 3.92Å | ||
| 1274 | A | 69.1 | Low | 72 | Confident | 78 Ų | 78 | 48.9 Ų | 48.9 | 65% | 0.645 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -60.4 | -27.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1276 Y1277 | A1274-L1276 PolarHBondContact O-N 3.1Å; A1274-Y1277 VanDerWaalsContact O-CD1 3.26Å; A1274-Y1277 WeakPolarHBondContact O-CD1 3.4Å; A1274-Y1277 PolarHBondContact O-N 3.23Å |
| 1275 | H | 69.8 | Low | 72.5 | Confident | 129 Ų | 129 | 51 Ų | 51 | 60% | 0.597 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -67.9 | -18.7 | 176.8 | -68.1 | -77.3 | 0 | 0 | 0 | 113.4 | F1204 N1273 | F1204-H1275 HydrophobicContact CE1-CB 4.01Å; F1204-H1275 HydrophobicContact CE2-CB 4.04Å; F1204-H1275 HydrophobicContact CZ-CB 3.48Å; F1204-H1275 VanDerWaalsContact CZ-CB 3.48Å; F1204-H1275 AromaticContact CZ-CD2 3.91Å; F1204-H1275 AromaticContact CZ-CG 3.76Å; N1273-H1275 PolarHBondContact O-N 2.86Å; N1273-H1275 WeakPolarHBondContact OD1-CB 3.5Å; N1273-H1275 PolarHBondContact OD1-N 3.44Å |
| 1276 | L | 70.7 | Confident | 73 | Confident | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -92.6 | 7.5 | -179.2 | -58.2 | 178.6 | 0 | 0 | 0 | 113.3 | F1204 I1207 C1269 N1273 A1274 R1278 A1279 F1317 F1333 | F1204-L1276 HydrophobicContact CD2-CD2 4.3Å; F1204-L1276 HydrophobicContact CE2-CD2 4.23Å; I1207-L1276 HydrophobicContact CD1-CD2 3.26Å; C1269-L1276 HydrophobicContact CB-CB 4.02Å; C1269-L1276 HydrophobicContact CB-CD1 3.94Å; N1273-L1276 HydrophobicContact CB-CD1 3.9Å; N1273-L1276 HydrophobicContact CB-CG 4.05Å; N1273-L1276 PolarHBondContact O-N 3.27Å; A1274-L1276 PolarHBondContact O-N 3.1Å; L1276-R1278 PolarHBondContact O-N 2.95Å; L1276-R1278 VanDerWaalsContact O-N 3.11Å; L1276-A1279 HydrophobicContact CB-CB 4.46Å; L1276-A1279 HydrophobicContact CD2-CB 4.22Å; L1276-A1279 PolarHBondContact O-N 3.38Å; L1276-A1279 VanDerWaalsContact O-N 3.14Å; L1276-F1317 HydrophobicContact CD1-CD1 3.98Å; L1276-F1317 HydrophobicContact CD1-CE1 3.39Å; L1276-F1317 HydrophobicContact CD1-CE2 4.11Å; L1276-F1317 HydrophobicContact CD1-CZ 3.46Å; L1276-F1317 VanDerWaalsContact CD1-CZ 3.46Å; L1276-F1333 HydrophobicContact CD1-CD2 3.85Å; L1276-F1333 HydrophobicContact CD1-CE2 4.25Å; L1276-F1333 HydrophobicContact CD2-CD2 4.19Å; L1276-F1333 HydrophobicContact CD2-CE2 4.14Å |
| 1277 | Y | 68.2 | Low | 73 | Confident | 138 Ų | 138 | 47.8 Ų | 47.8 | 54% | 0.541 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -25.2 | -172.2 | 84.9 | -73.7 | 0 | 0 | 0 | 115.1 | A1274 | A1274-Y1277 VanDerWaalsContact O-CD1 3.26Å; A1274-Y1277 WeakPolarHBondContact O-CD1 3.4Å; A1274-Y1277 PolarHBondContact O-N 3.23Å |
| 1278 | R | 71.8 | Confident | 73 | Confident | 105 Ų | 105 | 49 Ų | 49 | 40% | 0.396 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.8 | 1 | 175.8 | -74.6 | -179.9 | -176.4 | 177.5 | 6.6 | 114.4 | Y1202 L1276 E1280 | Y1202-R1278 HydrophobicContact CD1-CB 3.97Å; Y1202-R1278 HydrophobicContact CD2-CB 3.56Å; Y1202-R1278 HydrophobicContact CD2-CG 4.43Å; Y1202-R1278 HydrophobicContact CE2-CB 4.17Å; Y1202-R1278 HydrophobicContact CG-CB 3.45Å; Y1202-R1278 VanDerWaalsContact CG-CB 3.45Å; Y1202-R1278 HydrophobicContact CG-CG 4.42Å; Y1202-R1278 PolarHBondContact OH-NH1 2.93Å; L1276-R1278 PolarHBondContact O-N 2.95Å; L1276-R1278 VanDerWaalsContact O-N 3.11Å; R1278-E1280 PolarHBondContact O-N 2.91Å |
| 1279 | A | 75.3 | Confident | 72.5 | Confident | 13 Ų | 13 | 56.7 Ų | 56.7 | 11% | 0.107 | 27% | 0.269 | C | S | . | . | trans | -75.4 | 122.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | I1207 L1276 G1281 F1333 | I1207-A1279 HydrophobicContact CG2-CB 4.14Å; L1276-A1279 HydrophobicContact CB-CB 4.46Å; L1276-A1279 HydrophobicContact CD2-CB 4.22Å; L1276-A1279 PolarHBondContact O-N 3.38Å; L1276-A1279 VanDerWaalsContact O-N 3.14Å; A1279-G1281 PolarHBondContact O-N 3.23Å; A1279-F1333 HydrophobicContact CB-CE2 4.04Å; A1279-F1333 HydrophobicContact CB-CZ 3.69Å | ||
| 1280 | E | 83.8 | Confident | 71.9 | Confident | 90 Ų | 90 | 60.3 Ų | 60.3 | 42% | 0.421 | 30% | 0.299 | S | S | . | . | trans | -78.6 | 97.4 | 176 | -58 | 171.6 | -171.1 | 0 | 0 | 110.3 | Q1200 R1278 S1336 K1339 | Q1200-E1280 VanDerWaalsContact NE2-C 3.33Å; Q1200-E1280 PolarHBondContact NE2-O 3.48Å; R1278-E1280 PolarHBondContact O-N 2.91Å; E1280-S1336 WeakPolarHBondContact O-CB 3.37Å; E1280-S1336 PolarHBondContact O-N 3Å; E1280-S1336 VanDerWaalsContact O-N 3.14Å; E1280-K1339 IonicContact OE1-NZ 3.23Å; E1280-K1339 PolarHBondContact OE1-NZ 2.89Å; E1280-K1339 WeakPolarHBondContact OE2-CE 3.43Å; E1280-K1339 IonicContact OE2-NZ 2.65Å; E1280-K1339 PolarHBondContact OE2-NZ 2.94Å | ||
| 1281 | G | 88 | Confident | 72.2 | Confident | 18 Ų | 18 | 64.3 Ų | 64.3 | 19% | 0.186 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.5 | -177.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | A1279 F1334 | A1279-G1281 PolarHBondContact O-N 3.23Å; G1281-F1334 CarbonylContact C-O 3.52Å; G1281-F1334 WeakPolarHBondContact CA-O 3.28Å |
| 1282 | Y | 89 | Confident | 73.2 | Confident | 20 Ų | 20 | 60.3 Ų | 60.3 | 8% | 0.078 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 139.6 | -177.4 | -58.2 | -80.8 | 0 | 0 | 0 | 110.4 | P1238 G1267 L1299 Y1310 F1334 H1338 | P1238-Y1282 VanDerWaalsContact CD-CE1 3.4Å; P1238-Y1282 HydrophobicContact CG-CD1 4.2Å; P1238-Y1282 HydrophobicContact CG-CE1 3.94Å; G1267-Y1282 WeakPolarHBondContact O-CA 3.44Å; Y1282-L1299 HydrophobicContact CD2-CD2 4.19Å; Y1282-L1299 HydrophobicContact CG-CD2 4.09Å; Y1282-Y1310 WeakPolarHBondContact CE2-O 3.15Å; Y1282-F1334 PolarHBondContact N-O 2.95Å; Y1282-F1334 WeakPolarHBondContact O-CD2 3.44Å; Y1282-F1334 PolarHBondContact O-N 3.45Å; Y1282-H1338 PolarHBondContact OH-CE1 2.77Å |
| 1283 | C | 85.8 | Confident | 74.3 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 129.5 | 172.7 | -76.3 | 0 | 0 | 0 | 0 | 110.6 | V1264 G1267 C1269 F1317 G1332 | V1264-C1283 PolarHBondContact N-O 3.37Å; G1267-C1283 PolarHBondContact O-N 2.94Å; C1269-C1283 WeakPolarHBondContact CA-SG 3.47Å; C1269-C1283 HydrophobicContact CB-CB 4.04Å; C1269-C1283 WeakPolarHBondContact CB-SG 3.25Å; C1269-C1283 VanDerWaalsContact SG-CA 3.56Å; C1269-C1283 WeakPolarHBondContact SG-CB 3.46Å; C1269-C1283 PolarHBondContact SG-N 3.32Å; C1269-C1283 CovalentContact SG-SG 2.02Å; C1269-C1283 PolarHBondContact SG-SG 3.05Å; C1283-F1317 WeakPolarHBondContact SG-CZ 3.4Å; C1283-G1332 WeakPolarHBondContact CA-O 3.42Å |
| 1284 | A | 82.7 | Confident | 75.4 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 154.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | A1261 P1262 L1263 Y1286 G1332 F1334 | A1261-A1284 HydrophobicContact CB-CB 4.25Å; P1262-A1284 CarbonylContact O-C 3.59Å; P1262-A1284 WeakPolarHBondContact O-CA 3.07Å; P1262-A1284 WeakPolarHBondContact O-CB 3.03Å; L1263-A1284 HydrophobicContact CD2-CB 4.36Å; A1284-Y1286 PolarHBondContact O-N 3.46Å; A1284-G1332 PolarHBondContact N-O 3.19Å; A1284-G1332 VanDerWaalsContact N-O 3.1Å; A1284-G1332 PolarHBondContact O-N 3.15Å; A1284-F1334 HydrophobicContact CB-CD2 4.48Å; A1284-F1334 HydrophobicContact CB-CE2 3.82Å |
| 1285 | Y | 76.9 | Confident | 76.6 | Confident | 49 Ų | 49 | 57.9 Ų | 57.9 | 19% | 0.192 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 130.7 | 167 | -68.8 | -75.1 | 0 | 0 | 0 | 108.7 | P1262 V1264 P1287 H1328 L1331 | P1262-Y1285 HydrophobicContact CB-CD2 4.27Å; P1262-Y1285 PolarHBondContact O-N 2.86Å; V1264-Y1285 HydrophobicContact CG1-CE2 4.37Å; V1264-Y1285 HydrophobicContact CG2-CD2 3.92Å; V1264-Y1285 HydrophobicContact CG2-CE1 4.44Å; V1264-Y1285 HydrophobicContact CG2-CE2 3.84Å; V1264-Y1285 HydrophobicContact CG2-CG 4.28Å; Y1285-P1287 WeakPolarHBondContact O-CD 3.37Å; Y1285-H1328 HydrophobicContact CD1-CB 4.18Å; Y1285-L1331 HydrophobicContact CD1-CD2 3.6Å; Y1285-L1331 HydrophobicContact CE1-CD2 3.91Å; Y1285-L1331 HydrophobicContact CG-CD2 4.19Å |
| 1286 | Y | 70.8 | Confident | 77.7 | Confident | 24 Ų | 24 | 51.8 Ų | 51.8 | 9% | 0.094 | 25% | 0.245 | C | C | . | . | trans | -111.3 | 102.3 | -177.3 | -177.3 | -106.3 | 0 | 0 | 0 | 108.8 | M1246 A1284 P1288 A1294 Y1313 E1316 V1330 | M1246-Y1286 HydrophobicContact CE-CD2 3.57Å; M1246-Y1286 HydrophobicContact CE-CE2 4.11Å; M1246-Y1286 HydrophobicContact SD-CD2 3.87Å; M1246-Y1286 HydrophobicContact SD-CE2 3.77Å; A1284-Y1286 PolarHBondContact O-N 3.46Å; Y1286-P1288 HydrophobicContact CD1-CG 3.75Å; Y1286-P1288 HydrophobicContact CD2-CG 4.13Å; Y1286-P1288 HydrophobicContact CE1-CG 3.1Å; Y1286-P1288 HydrophobicContact CE2-CG 3.58Å; Y1286-P1288 HydrophobicContact CG-CG 4.21Å; Y1286-P1288 WeakPolarHBondContact OH-CG 3.48Å; Y1286-A1294 HydrophobicContact CE2-CB 3.8Å; Y1286-A1294 WeakPolarHBondContact OH-CB 3.37Å; Y1286-Y1313 HydrophobicContact CD2-CD2 4.19Å; Y1286-Y1313 AromaticContact CD2-CE2 3.47Å; Y1286-Y1313 HydrophobicContact CD2-CE2 3.47Å; Y1286-Y1313 VanDerWaalsContact CD2-CE2 3.47Å; Y1286-Y1313 HydrophobicContact CE2-CD2 4.1Å; Y1286-Y1313 HydrophobicContact CE2-CE1 4.47Å; Y1286-Y1313 AromaticContact CE2-CE2 3.38Å; Y1286-Y1313 HydrophobicContact CE2-CE2 3.38Å; Y1286-Y1313 AromaticContact CE2-CZ 3.61Å; Y1286-Y1313 HydrophobicContact CG-CE2 4.2Å; Y1286-Y1313 AromaticContact CZ-CZ 3.81Å; Y1286-E1316 HydrophobicContact CD1-CB 4.46Å; Y1286-E1316 VanDerWaalsContact CD1-OE2 3.28Å; Y1286-E1316 WeakPolarHBondContact CD1-OE2 3.49Å; Y1286-E1316 WeakPolarHBondContact CE1-OE2 3.36Å; Y1286-V1330 HydrophobicContact CD1-CG1 4.26Å; Y1286-V1330 PolarHBondContact N-O 3.47Å | ||
| 1287 | P | 59.3 | Low | 78.8 | Confident | 49 Ų | 49 | 51.7 Ų | 51.7 | 32% | 0.318 | 25% | 0.245 | S | C | . | . | trans | -109.1 | 35 | -172.9 | 40.7 | -34.1 | 0 | 0 | 0 | 116.3 | V1259 Y1285 | V1259-P1287 HydrophobicContact CG1-CG 3.79Å; Y1285-P1287 WeakPolarHBondContact O-CD 3.37Å | ||
| 1288 | P | 59.5 | Low | 80.1 | Confident | 27 Ų | 27 | 45.1 Ų | 45.1 | 18% | 0.175 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -89.5 | 150.1 | 175.3 | 34.4 | -25.6 | 0 | 0 | 0 | 113.1 | Y1286 V1292 | Y1286-P1288 HydrophobicContact CD1-CG 3.75Å; Y1286-P1288 HydrophobicContact CD2-CG 4.13Å; Y1286-P1288 HydrophobicContact CE1-CG 3.1Å; Y1286-P1288 HydrophobicContact CE2-CG 3.58Å; Y1286-P1288 HydrophobicContact CG-CG 4.21Å; Y1286-P1288 WeakPolarHBondContact OH-CG 3.48Å; P1288-V1292 HydrophobicContact CB-CB 4.28Å; P1288-V1292 HydrophobicContact CB-CG1 4.05Å; P1288-V1292 HydrophobicContact CB-CG2 3.49Å; P1288-V1292 VanDerWaalsContact CB-CG2 3.49Å; P1288-V1292 HydrophobicContact CG-CG2 3.74Å |
| 1289 | R | 59.4 | Low | 81.1 | Confident | 202 Ų | 202 | 40.1 Ų | 40.1 | 76% | 0.762 | 20% | 0.2 | S | C | * | . | P | Polyproline II helix | trans | -77.6 | 167.4 | -179.8 | -62.1 | 168.6 | 178.9 | 172.8 | -2.2 | 109.7 | ||
| 1290 | A | 62.7 | Low | 81.9 | Confident | 80 Ų | 80 | 39.5 Ų | 39.5 | 66% | 0.661 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -48 | 145 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 1291 | Y | 74.9 | Confident | 82.2 | Confident | 180 Ų | 180 | 35.2 Ų | 35.2 | 71% | 0.706 | 18% | 0.175 | S | C | * | . | S | Bend | trans | 76.3 | 36.6 | 176.1 | -49.2 | -84.2 | 0 | 0 | 0 | 117.5 | K1251 | K1251-Y1291 WeakPolarHBondContact CB-O 3.11Å; K1251-Y1291 WeakPolarHBondContact CG-O 3.14Å; K1251-Y1291 PolarHBondContact N-O 2.85Å |
| 1292 | V | 85.4 | Confident | 82 | Confident | 25 Ų | 25 | 35.2 Ų | 35.2 | 15% | 0.152 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 161.2 | 169.9 | -62.1 | 0 | 0 | 0 | 0 | 113.7 | Y1249 Y1250 P1288 | Y1249-V1292 CarbonylContact O-C 3.59Å; Y1249-V1292 VanDerWaalsContact O-CA 3.31Å; Y1249-V1292 WeakPolarHBondContact O-CA 3.36Å; Y1250-V1292 HydrophobicContact CD1-CG1 3.56Å; Y1250-V1292 HydrophobicContact CE1-CG1 3.56Å; Y1250-V1292 HydrophobicContact CG-CG1 4.26Å; P1288-V1292 HydrophobicContact CB-CB 4.28Å; P1288-V1292 HydrophobicContact CB-CG1 4.05Å; P1288-V1292 HydrophobicContact CB-CG2 3.49Å; P1288-V1292 VanDerWaalsContact CB-CG2 3.49Å; P1288-V1292 HydrophobicContact CG-CG2 3.74Å |
| 1293 | L | 89.4 | Confident | 81.4 | Confident | 25 Ų | 25 | 35.9 Ų | 35.9 | 13% | 0.131 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 124 | 164.4 | 170.3 | 71.7 | 0 | 0 | 0 | 108.8 | P1128 Y1249 L1295 | P1128-L1293 HydrophobicContact CB-CD2 4.18Å; P1128-L1293 HydrophobicContact CG-CD2 4.22Å; P1128-L1293 WeakPolarHBondContact O-CD2 3.3Å; Y1249-L1293 HydrophobicContact CD1-CB 4.11Å; Y1249-L1293 HydrophobicContact CD1-CD2 4.45Å; Y1249-L1293 PolarHBondContact N-O 2.85Å; Y1249-L1293 PolarHBondContact O-N 3.42Å; L1293-L1295 HydrophobicContact CD1-CB 4.23Å |
| 1294 | A | 91 | Very high | 80.8 | Confident | 3 Ų | 3 | 39.3 Ų | 39.3 | 3% | 0.025 | 21% | 0.212 | C | C | . | . | trans | -124.6 | -8.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114 | V1248 Y1286 G1296 S1297 Y1313 | V1248-A1294 HydrophobicContact CG1-CB 4.27Å; Y1286-A1294 HydrophobicContact CE2-CB 3.8Å; Y1286-A1294 WeakPolarHBondContact OH-CB 3.37Å; A1294-G1296 PolarHBondContact O-N 3.33Å; A1294-S1297 WeakPolarHBondContact O-CB 3.38Å; A1294-S1297 PolarHBondContact O-N 3.26Å; A1294-Y1313 HydrophobicContact CB-CD1 3.98Å; A1294-Y1313 HydrophobicContact CB-CE1 3.92Å; A1294-Y1313 HydrophobicContact CB-CG 4.48Å; A1294-Y1313 WeakPolarHBondContact O-CD1 3.47Å | ||
| 1295 | L | 93.2 | Very high | 80.2 | Confident | 37 Ų | 37 | 45.3 Ų | 45.3 | 19% | 0.194 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | 125.4 | -178.7 | -173.5 | 62.2 | 0 | 0 | 0 | 110.7 | C1130 L1131 A1153 L1293 T1314 | C1130-L1295 VanDerWaalsContact SG-CD2 3.57Å; L1131-L1295 PolarHBondContact N-O 3.4Å; A1153-L1295 HydrophobicContact CB-CD1 3.92Å; A1153-L1295 HydrophobicContact CB-CG 4.3Å; L1293-L1295 HydrophobicContact CD1-CB 4.23Å; L1295-T1314 VanDerWaalsContact CD1-O 3.28Å; L1295-T1314 WeakPolarHBondContact CD1-O 3.38Å |
| 1296 | G | 94.1 | Very high | 80.5 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | 1.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | L1131 A1294 Y1313 | L1131-G1296 CarbonylContact C-O 3.56Å; L1131-G1296 CarbonylContact O-C 3.54Å; L1131-G1296 VanDerWaalsContact O-CA 3.3Å; L1131-G1296 WeakPolarHBondContact O-CA 3.35Å; A1294-G1296 PolarHBondContact O-N 3.33Å; G1296-Y1313 PolarHBondContact N-O 2.96Å |
| 1297 | S | 94.2 | Very high | 81.4 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | trans | -60 | 138 | 177 | 176.5 | 0 | 0 | 0 | 0 | 112.3 | M1246 S1247 A1294 V1312 Y1313 | M1246-S1297 WeakPolarHBondContact CB-OG 3.41Å; S1247-S1297 PolarHBondContact N-OG 2.99Å; S1247-S1297 WeakPolarHBondContact O-CB 3.49Å; S1247-S1297 PolarHBondContact O-OG 3.44Å; A1294-S1297 WeakPolarHBondContact O-CB 3.38Å; A1294-S1297 PolarHBondContact O-N 3.26Å; S1297-V1312 CarbonylContact O-C 3.56Å; S1297-V1312 WeakPolarHBondContact O-CA 3.35Å; S1297-Y1313 PolarHBondContact O-N 3.3Å | ||
| 1298 | P | 95 | Very high | 82.9 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 140.4 | 172.5 | 31.3 | -35.7 | 0 | 0 | 0 | 111.4 | M1246 M1300 Q1309 | M1246-P1298 WeakPolarHBondContact CA-O 3.46Å; P1298-M1300 HydrophobicContact CB-CG 3.75Å; P1298-M1300 HydrophobicContact CB-SD 4.32Å; P1298-M1300 HydrophobicContact CG-CE 4.07Å; P1298-M1300 HydrophobicContact CG-CG 3.81Å; P1298-M1300 HydrophobicContact CG-SD 3.73Å; P1298-Q1309 HydrophobicContact CB-CG 3.85Å |
| 1299 | L | 93.5 | Very high | 84.5 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 101.3 | 163 | 177.9 | 64.8 | 0 | 0 | 0 | 108.4 | C1244 A1261 L1263 Y1282 Q1309 Y1310 G1311 F1334 | C1244-L1299 HydrophobicContact CB-CD1 4.22Å; A1261-L1299 HydrophobicContact CB-CD1 4.14Å; L1263-L1299 HydrophobicContact CD2-CD1 4.48Å; L1263-L1299 HydrophobicContact CD2-CD2 4.03Å; Y1282-L1299 HydrophobicContact CD2-CD2 4.19Å; Y1282-L1299 HydrophobicContact CG-CD2 4.09Å; L1299-Q1309 CarbonylContact O-C 3.48Å; L1299-Q1309 WeakPolarHBondContact O-CA 3.41Å; L1299-Y1310 PolarHBondContact O-N 2.79Å; L1299-G1311 PolarHBondContact N-O 2.76Å; L1299-F1334 HydrophobicContact CB-CB 4.4Å; L1299-F1334 HydrophobicContact CB-CD1 3.48Å; L1299-F1334 VanDerWaalsContact CB-CD1 3.48Å; L1299-F1334 HydrophobicContact CB-CE1 3.7Å; L1299-F1334 HydrophobicContact CB-CG 3.98Å; L1299-F1334 HydrophobicContact CB-CZ 4.41Å; L1299-F1334 HydrophobicContact CD1-CD1 4.48Å; L1299-F1334 HydrophobicContact CD1-CE1 4.17Å; L1299-F1334 HydrophobicContact CD1-CE2 4.28Å; L1299-F1334 HydrophobicContact CD1-CZ 4.04Å; L1299-F1334 HydrophobicContact CD2-CB 4.16Å; L1299-F1334 HydrophobicContact CD2-CD1 4.45Å; L1299-F1334 HydrophobicContact CD2-CD2 4.39Å; L1299-F1334 HydrophobicContact CD2-CG 4.11Å; L1299-F1334 HydrophobicContact CG-CD1 4.35Å; L1299-F1334 HydrophobicContact CG-CE1 4.45Å; L1299-F1334 HydrophobicContact CG-CG 4.47Å |
| 1300 | M | 91.9 | Very high | 86 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 118.9 | -170.8 | -57.5 | 173.9 | -76.5 | 0 | 0 | 109.3 | F1114 W1116 I1229 C1244 F1245 S1247 E1258 P1298 V1307 F1308 | F1114-M1300 HydrophobicContact CD2-CE 3.95Å; F1114-M1300 HydrophobicContact CD2-SD 3.9Å; F1114-M1300 HydrophobicContact CE2-CE 4.26Å; F1114-M1300 HydrophobicContact CE2-SD 4.37Å; W1116-M1300 HydrophobicContact CZ2-SD 4.44Å; W1116-M1300 PolarHBondContact NE1-SD 3.35Å; I1229-M1300 HydrophobicContact CD1-CB 4.18Å; I1229-M1300 HydrophobicContact CD1-CG 3.63Å; I1229-M1300 HydrophobicContact CD1-SD 4.18Å; C1244-M1300 CarbonylContact C-O 3.48Å; C1244-M1300 WeakPolarHBondContact CA-O 3.38Å; F1245-M1300 HydrophobicContact CB-CE 4.31Å; F1245-M1300 PolarHBondContact N-O 3.03Å; F1245-M1300 PolarHBondContact O-N 3.41Å; S1247-M1300 WeakPolarHBondContact OG-CE 3.24Å; E1258-M1300 WeakPolarHBondContact OE2-CE 3.37Å; P1298-M1300 HydrophobicContact CB-CG 3.75Å; P1298-M1300 HydrophobicContact CB-SD 4.32Å; P1298-M1300 HydrophobicContact CG-CE 4.07Å; P1298-M1300 HydrophobicContact CG-CG 3.81Å; P1298-M1300 HydrophobicContact CG-SD 3.73Å; M1300-V1307 HydrophobicContact CB-CG1 3.83Å; M1300-F1308 CarbonylContact C-O 3.48Å; M1300-F1308 WeakPolarHBondContact CA-O 3.37Å |
| 1301 | C | 89.3 | Confident | 87.5 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 134.7 | 176.9 | -58.8 | 0 | 0 | 0 | 0 | 110.2 | S1243 C1244 F1308 Y1310 | S1243-C1301 WeakPolarHBondContact O-CA 3.48Å; C1244-C1301 HydrophobicContact CB-CB 4.14Å; C1244-C1301 WeakPolarHBondContact CB-SG 3.3Å; C1244-C1301 WeakPolarHBondContact SG-CB 3.32Å; C1244-C1301 CovalentContact SG-SG 2.05Å; C1244-C1301 PolarHBondContact SG-SG 3.11Å; C1301-F1308 PolarHBondContact N-O 3.48Å; C1301-F1308 PolarHBondContact O-N 3.14Å; C1301-Y1310 HydrophobicContact CB-CD2 3.79Å; C1301-Y1310 HydrophobicContact CB-CE2 3.83Å |
| 1302 | I | 84.3 | Confident | 88.5 | Confident | 19 Ų | 19 | 20.9 Ų | 20.9 | 10% | 0.097 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 124.3 | 175.2 | -57.1 | 168.3 | 0 | 0 | 0 | 108.4 | P1100 M1101 S1242 S1243 F1245 V1307 | P1100-I1302 HydrophobicContact CB-CD1 3.67Å; P1100-I1302 HydrophobicContact CB-CG1 3.79Å; P1100-I1302 HydrophobicContact CB-CG2 4.32Å; P1100-I1302 HydrophobicContact CG-CG2 4.48Å; M1101-I1302 HydrophobicContact CG-CD1 3.76Å; M1101-I1302 HydrophobicContact SD-CD1 3.38Å; M1101-I1302 WeakPolarHBondContact SD-CD1 3.22Å; S1242-I1302 WeakPolarHBondContact CB-O 3.26Å; S1243-I1302 PolarHBondContact O-N 2.88Å; F1245-I1302 HydrophobicContact CD2-CD1 4.5Å; F1245-I1302 HydrophobicContact CE2-CD1 3.6Å; F1245-I1302 HydrophobicContact CE2-CG1 4.05Å; F1245-I1302 HydrophobicContact CZ-CD1 4.35Å; I1302-V1307 HydrophobicContact CG1-CG2 4.46Å |
| 1303 | V | 76.1 | Confident | 88.9 | Confident | 33 Ų | 33 | 20.3 Ų | 20.3 | 20% | 0.2 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 107.7 | 177.1 | -177 | 0 | 0 | 0 | 0 | 107.9 | P1239 D1305 R1306 F1308 Y1310 | P1239-V1303 HydrophobicContact CG-CG1 4.19Å; P1239-V1303 HydrophobicContact CG-CG2 4.11Å; V1303-D1305 PolarHBondContact O-N 2.94Å; V1303-R1306 PolarHBondContact N-O 3.45Å; V1303-R1306 PolarHBondContact O-N 3.25Å; V1303-F1308 HydrophobicContact CB-CD2 3.83Å; V1303-F1308 HydrophobicContact CB-CE2 4.13Å; V1303-F1308 HydrophobicContact CG2-CD2 4.15Å; V1303-Y1310 HydrophobicContact CG2-CE2 4.16Å |
| 1304 | G | 73.7 | Confident | 88.9 | Confident | 72 Ų | 72 | 19.4 Ų | 19.4 | 74% | 0.742 | 12% | 0.115 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.3 | -126 | -168.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 1305 | D | 70.2 | Confident | 88.8 | Confident | 127 Ų | 127 | 21 Ų | 21 | 68% | 0.679 | 12% | 0.124 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | -3.6 | 178.5 | 61.9 | -20.9 | 0 | 0 | 0 | 113.8 | V1303 | V1303-D1305 PolarHBondContact O-N 2.94Š|
| 1306 | R | 83.2 | Confident | 88.5 | Confident | 84 Ų | 84 | 23.6 Ų | 23.6 | 32% | 0.317 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 160.4 | -175.6 | -68.3 | -174.3 | -65 | 159.4 | -2.6 | 113.3 | V1303 F1308 | V1303-R1306 PolarHBondContact N-O 3.45Å; V1303-R1306 PolarHBondContact O-N 3.25Å; R1306-F1308 HydrophobicContact CB-CE2 3.94Å |
| 1307 | V | 89.3 | Confident | 87.7 | Confident | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.006 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 128.7 | 177.1 | -167.9 | 0 | 0 | 0 | 0 | 111.3 | G1091 P1100 W1116 I1229 C1230 M1300 I1302 | G1091-V1307 PolarHBondContact O-N 2.75Å; G1091-V1307 VanDerWaalsContact O-N 3.14Å; P1100-V1307 HydrophobicContact CB-CG2 3.71Å; P1100-V1307 HydrophobicContact CG-CG2 3.99Å; W1116-V1307 HydrophobicContact CH2-CB 3.74Å; W1116-V1307 HydrophobicContact CH2-CG1 4.26Å; W1116-V1307 HydrophobicContact CH2-CG2 3.79Å; W1116-V1307 HydrophobicContact CZ2-CB 3.89Å; W1116-V1307 HydrophobicContact CZ2-CG1 3.87Å; W1116-V1307 HydrophobicContact CZ2-CG2 4.1Å; I1229-V1307 HydrophobicContact CD1-CG1 3.88Å; I1229-V1307 HydrophobicContact CG1-CG1 4.41Å; I1229-V1307 WeakPolarHBondContact CG1-O 3.46Å; C1230-V1307 PolarHBondContact N-O 2.84Å; M1300-V1307 HydrophobicContact CB-CG1 3.83Å; I1302-V1307 HydrophobicContact CG1-CG2 4.46Å |
| 1308 | F | 90.8 | Very high | 86.6 | Confident | 13 Ų | 13 | 26.6 Ų | 26.6 | 6% | 0.057 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 139.3 | 179.4 | -73.3 | -98.3 | 0 | 0 | 0 | 111.5 | C1230 M1300 C1301 V1303 R1306 Y1310 | C1230-F1308 HydrophobicContact CB-CD1 3.47Å; C1230-F1308 VanDerWaalsContact CB-CD1 3.47Å; C1230-F1308 HydrophobicContact CB-CD2 4.45Å; C1230-F1308 HydrophobicContact CB-CE1 3.5Å; C1230-F1308 VanDerWaalsContact CB-CE1 3.5Å; C1230-F1308 HydrophobicContact CB-CE2 4.49Å; C1230-F1308 HydrophobicContact CB-CG 3.98Å; C1230-F1308 HydrophobicContact CB-CZ 4.04Å; M1300-F1308 CarbonylContact C-O 3.48Å; M1300-F1308 WeakPolarHBondContact CA-O 3.37Å; C1301-F1308 PolarHBondContact N-O 3.48Å; C1301-F1308 PolarHBondContact O-N 3.14Å; V1303-F1308 HydrophobicContact CB-CD2 3.83Å; V1303-F1308 HydrophobicContact CB-CE2 4.13Å; V1303-F1308 HydrophobicContact CG2-CD2 4.15Å; R1306-F1308 HydrophobicContact CB-CE2 3.94Å; F1308-Y1310 HydrophobicContact CB-CD2 4.26Å; F1308-Y1310 HydrophobicContact CB-CE2 3.8Å |
| 1309 | Q | 93.4 | Very high | 85.1 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 107.7 | 174.3 | -177.7 | 176.2 | -8.7 | 0 | 0 | 110.8 | S1133 I1229 C1230 L1231 P1232 P1298 L1299 V1337 | S1133-Q1309 VanDerWaalsContact OG-CD 3.23Å; S1133-Q1309 PolarHBondContact OG-NE2 2.92Å; S1133-Q1309 VanDerWaalsContact OG-NE2 3.11Å; S1133-Q1309 PolarHBondContact OG-OE1 3.35Å; I1229-Q1309 HydrophobicContact CD1-CB 3.85Å; I1229-Q1309 HydrophobicContact CG1-CB 4.18Å; I1229-Q1309 HydrophobicContact CG2-CB 4.06Å; C1230-Q1309 PolarHBondContact O-N 3.32Å; L1231-Q1309 HydrophobicContact CD2-CB 4.43Å; P1232-Q1309 WeakPolarHBondContact CD-O 3.27Å; P1298-Q1309 HydrophobicContact CB-CG 3.85Å; L1299-Q1309 CarbonylContact O-C 3.48Å; L1299-Q1309 WeakPolarHBondContact O-CA 3.41Å; Q1309-V1337 HydrophobicContact CG-CG1 4.31Å; Q1309-V1337 WeakPolarHBondContact O-CG2 3.32Å |
| 1310 | Y | 91.6 | Very high | 83.4 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | -23.9 | -179.5 | -77.8 | -87.5 | 0 | 0 | 0 | 114.3 | P1232 Q1236 P1238 Y1282 L1299 C1301 V1303 F1308 V1337 | P1232-Y1310 HydrophobicContact CB-CD1 3.85Å; P1232-Y1310 HydrophobicContact CB-CE1 3.52Å; P1232-Y1310 HydrophobicContact CG-CD1 3.76Å; P1232-Y1310 HydrophobicContact CG-CE1 3.99Å; P1232-Y1310 HydrophobicContact CG-CG 4.31Å; Q1236-Y1310 VanDerWaalsContact O-CE1 3.29Å; Q1236-Y1310 WeakPolarHBondContact O-CE1 3.42Å; P1238-Y1310 HydrophobicContact CB-CD2 4.31Å; P1238-Y1310 HydrophobicContact CB-CE1 4.49Å; P1238-Y1310 HydrophobicContact CB-CE2 4.22Å; P1238-Y1310 HydrophobicContact CB-CG 4.46Å; P1238-Y1310 HydrophobicContact CG-CD1 3.69Å; P1238-Y1310 HydrophobicContact CG-CD2 3.94Å; P1238-Y1310 HydrophobicContact CG-CE1 4.03Å; P1238-Y1310 HydrophobicContact CG-CE2 4.24Å; P1238-Y1310 HydrophobicContact CG-CG 3.63Å; Y1282-Y1310 WeakPolarHBondContact CE2-O 3.15Å; L1299-Y1310 PolarHBondContact O-N 2.79Å; C1301-Y1310 HydrophobicContact CB-CD2 3.79Å; C1301-Y1310 HydrophobicContact CB-CE2 3.83Å; V1303-Y1310 HydrophobicContact CG2-CE2 4.16Å; F1308-Y1310 HydrophobicContact CB-CD2 4.26Å; F1308-Y1310 HydrophobicContact CB-CE2 3.8Å; Y1310-V1337 PolarHBondContact O-N 3.4Å |
| 1311 | G | 93.1 | Very high | 81.2 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 172.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1299 N1335 | L1299-G1311 PolarHBondContact N-O 2.76Å; G1311-N1335 CarbonylContact C-O 3.41Å; G1311-N1335 WeakPolarHBondContact CA-O 3.49Å |
| 1312 | V | 95.4 | Very high | 78.9 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 125.2 | 175.1 | 179.5 | 0 | 0 | 0 | 0 | 109 | A1153 I1211 S1297 T1314 F1334 N1335 V1337 | A1153-V1312 HydrophobicContact CB-CG1 4.07Å; I1211-V1312 HydrophobicContact CD1-CB 4.35Å; I1211-V1312 HydrophobicContact CD1-CG2 4.07Å; I1211-V1312 HydrophobicContact CG1-CB 4.15Å; I1211-V1312 HydrophobicContact CG1-CG2 4.16Å; I1211-V1312 HydrophobicContact CG2-CG2 4.18Å; S1297-V1312 CarbonylContact O-C 3.56Å; S1297-V1312 WeakPolarHBondContact O-CA 3.35Å; V1312-T1314 PolarHBondContact O-N 2.74Å; V1312-F1334 CarbonylContact O-C 3.44Å; V1312-F1334 VanDerWaalsContact O-CA 3.24Å; V1312-F1334 WeakPolarHBondContact O-CA 3.24Å; V1312-N1335 PolarHBondContact N-O 2.69Å; V1312-N1335 PolarHBondContact O-N 2.75Å; V1312-V1337 HydrophobicContact CG2-CG1 3.99Å |
| 1313 | Y | 94.2 | Very high | 76.8 | Confident | 13 Ų | 13 | 52.1 Ų | 52.1 | 5% | 0.051 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 128.4 | -178.2 | 179.8 | -86.8 | 0 | 0 | 0 | 110.3 | Y1286 A1294 G1296 S1297 E1316 F1334 | Y1286-Y1313 HydrophobicContact CD2-CD2 4.19Å; Y1286-Y1313 AromaticContact CD2-CE2 3.47Å; Y1286-Y1313 HydrophobicContact CD2-CE2 3.47Å; Y1286-Y1313 VanDerWaalsContact CD2-CE2 3.47Å; Y1286-Y1313 HydrophobicContact CE2-CD2 4.1Å; Y1286-Y1313 HydrophobicContact CE2-CE1 4.47Å; Y1286-Y1313 AromaticContact CE2-CE2 3.38Å; Y1286-Y1313 HydrophobicContact CE2-CE2 3.38Å; Y1286-Y1313 AromaticContact CE2-CZ 3.61Å; Y1286-Y1313 HydrophobicContact CG-CE2 4.2Å; Y1286-Y1313 AromaticContact CZ-CZ 3.81Å; A1294-Y1313 HydrophobicContact CB-CD1 3.98Å; A1294-Y1313 HydrophobicContact CB-CE1 3.92Å; A1294-Y1313 HydrophobicContact CB-CG 4.48Å; A1294-Y1313 WeakPolarHBondContact O-CD1 3.47Å; G1296-Y1313 PolarHBondContact N-O 2.96Å; S1297-Y1313 PolarHBondContact O-N 3.3Å; Y1313-E1316 WeakPolarHBondContact OH-CB 3.42Å; Y1313-E1316 PolarHBondContact OH-OE2 2.65Å; Y1313-F1334 VanDerWaalsContact CA-CD1 3.44Å; Y1313-F1334 HydrophobicContact CD2-CE1 4.13Å; Y1313-F1334 HydrophobicContact CD2-CE2 4.14Å; Y1313-F1334 AromaticContact CD2-CZ 3.93Å; Y1313-F1334 HydrophobicContact CD2-CZ 3.93Å; Y1313-F1334 HydrophobicContact CG-CE1 4.32Å |
| 1314 | T | 90.5 | Very high | 75.1 | Confident | 6 Ų | 6 | 54.2 Ų | 54.2 | 4% | 0.037 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | -40.3 | -179.6 | 55.4 | 0 | 0 | 0 | 0 | 114 | A1153 L1295 V1312 F1333 N1335 | A1153-T1314 HydrophobicContact CB-CG2 4.04Å; L1295-T1314 VanDerWaalsContact CD1-O 3.28Å; L1295-T1314 WeakPolarHBondContact CD1-O 3.38Å; V1312-T1314 PolarHBondContact O-N 2.74Å; T1314-F1333 PolarHBondContact N-O 3.07Å; T1314-F1333 PolarHBondContact OG1-O 2.64Å; T1314-N1335 HydrophobicContact CG2-CB 4.18Å; T1314-N1335 VanDerWaalsContact CG2-ND2 3.28Å; T1314-N1335 WeakPolarHBondContact CG2-ND2 3.39Å |
| 1315 | T | 88.3 | Confident | 73.5 | Confident | 37 Ų | 37 | 61.3 Ų | 61.3 | 23% | 0.227 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 167.5 | -177.7 | -168.8 | 0 | 0 | 0 | 0 | 111.1 | I1207 F1333 | I1207-T1315 HydrophobicContact CD1-CG2 3.89Å; I1207-T1315 HydrophobicContact CG1-CG2 3.66Å; T1315-F1333 HydrophobicContact CG2-CB 4.03Å; T1315-F1333 PolarHBondContact O-N 3.49Å |
| 1316 | E | 85.9 | Confident | 72.3 | Confident | 91 Ų | 91 | 58 Ų | 58 | 43% | 0.425 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 164.3 | 170.6 | 62.3 | -169.3 | -139.3 | 0 | 0 | 112.4 | Y1286 Y1313 V1330 L1331 | Y1286-E1316 HydrophobicContact CD1-CB 4.46Å; Y1286-E1316 VanDerWaalsContact CD1-OE2 3.28Å; Y1286-E1316 WeakPolarHBondContact CD1-OE2 3.49Å; Y1286-E1316 WeakPolarHBondContact CE1-OE2 3.36Å; Y1313-E1316 WeakPolarHBondContact OH-CB 3.42Å; Y1313-E1316 PolarHBondContact OH-OE2 2.65Å; E1316-V1330 HydrophobicContact CB-CG1 3.71Å; E1316-V1330 HydrophobicContact CG-CG1 4.11Å; E1316-L1331 CarbonylContact C-O 3.5Å; E1316-L1331 WeakPolarHBondContact CA-O 3.42Å; E1316-L1331 WeakPolarHBondContact CB-O 3.37Å |
| 1317 | F | 78.7 | Confident | 70.5 | Confident | 22 Ų | 22 | 63.2 Ų | 63.2 | 10% | 0.096 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 156.3 | 174.4 | 58.2 | -86.2 | 0 | 0 | 0 | 111.6 | F1272 N1273 L1276 C1283 L1331 F1333 | F1272-F1317 HydrophobicContact CB-CE2 4.19Å; N1273-F1317 HydrophobicContact CB-CD2 4.06Å; N1273-F1317 HydrophobicContact CB-CE2 3.92Å; L1276-F1317 HydrophobicContact CD1-CD1 3.98Å; L1276-F1317 HydrophobicContact CD1-CE1 3.39Å; L1276-F1317 HydrophobicContact CD1-CE2 4.11Å; L1276-F1317 HydrophobicContact CD1-CZ 3.46Å; L1276-F1317 VanDerWaalsContact CD1-CZ 3.46Å; C1283-F1317 WeakPolarHBondContact SG-CZ 3.4Å; F1317-L1331 HydrophobicContact CD2-CB 4.38Å; F1317-L1331 HydrophobicContact CE1-CB 4.22Å; F1317-L1331 HydrophobicContact CE2-CB 3.89Å; F1317-L1331 HydrophobicContact CE2-CD1 3.9Å; F1317-L1331 HydrophobicContact CE2-CG 4.47Å; F1317-L1331 HydrophobicContact CZ-CB 3.79Å; F1317-L1331 HydrophobicContact CZ-CD1 4.18Å; F1317-L1331 PolarHBondContact N-O 2.98Å; F1317-L1331 PolarHBondContact O-N 3.44Å; F1317-F1333 HydrophobicContact CD1-CB 4.47Å; F1317-F1333 HydrophobicContact CE1-CB 4.06Å; F1317-F1333 HydrophobicContact CE1-CD2 4.44Å |
| 1318 | A | 70.9 | Confident | 68.7 | Low | 40 Ų | 40 | 67 Ų | 67 | 33% | 0.331 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 140.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y1320 | A1318-Y1320 HydrophobicContact CB-CE1 4.38Å; A1318-Y1320 HydrophobicContact CB-CE2 3.98Å; A1318-Y1320 WeakPolarHBondContact O-CD2 3.27Å; A1318-Y1320 WeakPolarHBondContact O-CE2 3.46Å; A1318-Y1320 PolarHBondContact O-N 3.02Å |
| 1319 | N | 63.5 | Low | 67.2 | Low | 41 Ų | 41 | 70 Ų | 70 | 22% | 0.219 | 38% | 0.378 | C | S | . | . | trans | -80.1 | 105.1 | 173 | -177.2 | 6.5 | 0 | 0 | 0 | 110.1 | F1272 I1321 S1329 L1331 | F1272-N1319 VanDerWaalsContact CD1-OD1 3.29Å; F1272-N1319 WeakPolarHBondContact CD1-OD1 3.47Å; N1319-I1321 PolarHBondContact OD1-N 3.21Å; N1319-S1329 WeakPolarHBondContact CB-O 3.45Å; N1319-S1329 PolarHBondContact N-O 2.89Å; N1319-L1331 HydrophobicContact CB-CD1 4.23Å; N1319-L1331 HydrophobicContact CB-CG 4.19Å | ||
| 1320 | Y | 57.1 | Low | 66.3 | Low | 181 Ų | 181 | 72 Ų | 72 | 71% | 0.71 | 39% | 0.39 | S | S | * | . | trans | -86.9 | -6.1 | -176.2 | -68.4 | -76.4 | 0 | 0 | 0 | 114.6 | A1318 Q1322 | A1318-Y1320 HydrophobicContact CB-CE1 4.38Å; A1318-Y1320 HydrophobicContact CB-CE2 3.98Å; A1318-Y1320 WeakPolarHBondContact O-CD2 3.27Å; A1318-Y1320 WeakPolarHBondContact O-CE2 3.46Å; A1318-Y1320 PolarHBondContact O-N 3.02Å; Y1320-Q1322 PolarHBondContact O-N 2.61Å | ||
| 1321 | I | 46.6 | Very low | 65.8 | Low | 76 Ų | 76 | 72 Ų | 72 | 39% | 0.39 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -93.3 | 106.3 | -179.9 | -62.7 | -173 | 0 | 0 | 0 | 109.6 | K1271 F1272 N1319 | K1271-I1321 WeakPolarHBondContact O-CD1 3.41Å; F1272-I1321 HydrophobicContact CD1-CB 4.33Å; F1272-I1321 HydrophobicContact CD1-CD1 4.31Å; F1272-I1321 HydrophobicContact CD1-CG1 4.45Å; N1319-I1321 PolarHBondContact OD1-N 3.21Å |
| 1322 | Q | 39.7 | Very low | 65.5 | Low | 161 Ų | 161 | 72 Ų | 72 | 75% | 0.752 | 39% | 0.39 | S | S | * | . | S | Bend | trans | 78.9 | 103.6 | 159.3 | -67.3 | 170.9 | -31.4 | 0 | 0 | 118 | Y1320 S1324 | Y1320-Q1322 PolarHBondContact O-N 2.61Å; Q1322-S1324 PolarHBondContact O-N 2.73Å |
| 1323 | G | 41.1 | Very low | 65.4 | Low | 97 Ų | 97 | 72 Ų | 72 | 100% | 1 | 39% | 0.39 | S | S | * | . | 60 | -13.3 | 114.5 | 0 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 1324 | S | 39.6 | Very low | 65.3 | Low | 76 Ų | 76 | 71.3 Ų | 71.3 | 53% | 0.531 | 39% | 0.387 | S | S | . | . | trans | -95.9 | 115.4 | 177.7 | 74.3 | 0 | 0 | 0 | 0 | 108.4 | Q1322 S1326 | Q1322-S1324 PolarHBondContact O-N 2.73Å; S1324-S1326 PolarHBondContact O-N 3Å; S1324-S1326 PolarHBondContact OG-OG 3.26Å | ||
| 1325 | K | 41.4 | Very low | 65.4 | Low | 222 Ų | 222 | 71.2 Ų | 71.2 | 97% | 0.965 | 39% | 0.386 | S | S | * | . | trans | -67.7 | 40.2 | 159.7 | -69.6 | -178 | 174.4 | 179.9 | 0 | 110.6 | ||||
| 1326 | S | 44.4 | Very low | 65.6 | Low | 57 Ų | 57 | 70.5 Ų | 70.5 | 40% | 0.399 | 38% | 0.383 | S | S | . | . | trans | -83.4 | 151 | 179.3 | 68.8 | 0 | 0 | 0 | 0 | 109.7 | S1324 H1328 | S1324-S1326 PolarHBondContact O-N 3Å; S1324-S1326 PolarHBondContact OG-OG 3.26Å; S1326-H1328 PolarHBondContact O-N 3.36Å | ||
| 1327 | Q | 46 | Very low | 65.8 | Low | 193 Ų | 193 | 66.1 Ų | 66.1 | 90% | 0.902 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -61.5 | 1.9 | -176.8 | -82.2 | 174.9 | -30.5 | 0 | 0 | 115.2 | ||
| 1328 | H | 50.8 | Low | 66.1 | Low | 82 Ų | 82 | 65.7 Ų | 65.7 | 38% | 0.38 | 36% | 0.361 | S | S | . | . | trans | -114.5 | 52.2 | -176.4 | -61.7 | -64.9 | 0 | 0 | 0 | 112.5 | Y1285 S1326 V1330 | Y1285-H1328 HydrophobicContact CD1-CB 4.18Å; S1326-H1328 PolarHBondContact O-N 3.36Å; H1328-V1330 VanDerWaalsContact C-N 3.28Å; H1328-V1330 PolarHBondContact O-N 3.18Å | ||
| 1329 | S | 58.3 | Low | 66.6 | Low | 74 Ų | 74 | 67.6 Ų | 67.6 | 52% | 0.517 | 36% | 0.362 | S | S | . | . | trans | -78.1 | -5.8 | -178.8 | 60 | 0 | 0 | 0 | 0 | 114.6 | N1319 | N1319-S1329 WeakPolarHBondContact CB-O 3.45Å; N1319-S1329 PolarHBondContact N-O 2.89Å | ||
| 1330 | V | 74.8 | Confident | 67.3 | Low | 42 Ų | 42 | 65.8 Ų | 65.8 | 26% | 0.255 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 135.1 | -173.3 | -174.5 | 0 | 0 | 0 | 0 | 111.3 | Y1286 E1316 H1328 | Y1286-V1330 HydrophobicContact CD1-CG1 4.26Å; Y1286-V1330 PolarHBondContact N-O 3.47Å; E1316-V1330 HydrophobicContact CB-CG1 3.71Å; E1316-V1330 HydrophobicContact CG-CG1 4.11Å; H1328-V1330 VanDerWaalsContact C-N 3.28Å; H1328-V1330 PolarHBondContact O-N 3.18Å |
| 1331 | L | 81.5 | Confident | 68.1 | Low | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 136.7 | 176 | -66 | 178.6 | 0 | 0 | 0 | 110.4 | V1264 F1272 Y1285 E1316 F1317 N1319 | V1264-L1331 HydrophobicContact CG2-CD2 3.62Å; F1272-L1331 HydrophobicContact CB-CD1 3.85Å; F1272-L1331 HydrophobicContact CD1-CD1 4.07Å; F1272-L1331 HydrophobicContact CD2-CD1 4.14Å; F1272-L1331 HydrophobicContact CG-CD1 3.73Å; Y1285-L1331 HydrophobicContact CD1-CD2 3.6Å; Y1285-L1331 HydrophobicContact CE1-CD2 3.91Å; Y1285-L1331 HydrophobicContact CG-CD2 4.19Å; E1316-L1331 CarbonylContact C-O 3.5Å; E1316-L1331 WeakPolarHBondContact CA-O 3.42Å; E1316-L1331 WeakPolarHBondContact CB-O 3.37Å; F1317-L1331 HydrophobicContact CD2-CB 4.38Å; F1317-L1331 HydrophobicContact CE1-CB 4.22Å; F1317-L1331 HydrophobicContact CE2-CB 3.89Å; F1317-L1331 HydrophobicContact CE2-CD1 3.9Å; F1317-L1331 HydrophobicContact CE2-CG 4.47Å; F1317-L1331 HydrophobicContact CZ-CB 3.79Å; F1317-L1331 HydrophobicContact CZ-CD1 4.18Å; F1317-L1331 PolarHBondContact N-O 2.98Å; F1317-L1331 PolarHBondContact O-N 3.44Å; N1319-L1331 HydrophobicContact CB-CD1 4.23Å; N1319-L1331 HydrophobicContact CB-CG 4.19Å |
| 1332 | G | 87.8 | Confident | 69.4 | Low | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 134.3 | 174 | 0 | 0 | 0 | 0 | 0 | 110.7 | C1283 A1284 | C1283-G1332 WeakPolarHBondContact CA-O 3.42Å; A1284-G1332 PolarHBondContact N-O 3.19Å; A1284-G1332 VanDerWaalsContact N-O 3.1Å; A1284-G1332 PolarHBondContact O-N 3.15Å |
| 1333 | F | 91.3 | Very high | 70.7 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 131.7 | 173.9 | -170.3 | -88.8 | 0 | 0 | 0 | 110.7 | I1207 C1269 L1276 A1279 T1314 T1315 F1317 N1335 | I1207-F1333 HydrophobicContact CB-CE1 4.38Å; I1207-F1333 HydrophobicContact CD1-CB 4.44Å; I1207-F1333 HydrophobicContact CD1-CD1 3.73Å; I1207-F1333 HydrophobicContact CD1-CD2 4.16Å; I1207-F1333 HydrophobicContact CD1-CE1 3.99Å; I1207-F1333 HydrophobicContact CD1-CE2 4.38Å; I1207-F1333 HydrophobicContact CD1-CG 3.83Å; I1207-F1333 HydrophobicContact CD1-CZ 4.31Å; I1207-F1333 HydrophobicContact CG1-CD1 3.75Å; I1207-F1333 HydrophobicContact CG1-CE1 4.02Å; I1207-F1333 HydrophobicContact CG1-CG 4.3Å; I1207-F1333 HydrophobicContact CG2-CD1 4.19Å; I1207-F1333 HydrophobicContact CG2-CE1 3.56Å; I1207-F1333 HydrophobicContact CG2-CZ 4Å; C1269-F1333 HydrophobicContact CB-CD2 4.27Å; C1269-F1333 HydrophobicContact CB-CE2 4.08Å; C1269-F1333 WeakPolarHBondContact SG-CD2 3.39Å; C1269-F1333 WeakPolarHBondContact SG-CE2 3.18Å; L1276-F1333 HydrophobicContact CD1-CD2 3.85Å; L1276-F1333 HydrophobicContact CD1-CE2 4.25Å; L1276-F1333 HydrophobicContact CD2-CD2 4.19Å; L1276-F1333 HydrophobicContact CD2-CE2 4.14Å; A1279-F1333 HydrophobicContact CB-CE2 4.04Å; A1279-F1333 HydrophobicContact CB-CZ 3.69Å; T1314-F1333 PolarHBondContact N-O 3.07Å; T1314-F1333 PolarHBondContact OG1-O 2.64Å; T1315-F1333 HydrophobicContact CG2-CB 4.03Å; T1315-F1333 PolarHBondContact O-N 3.49Å; F1317-F1333 HydrophobicContact CD1-CB 4.47Å; F1317-F1333 HydrophobicContact CE1-CB 4.06Å; F1317-F1333 HydrophobicContact CE1-CD2 4.44Å; F1333-N1335 WeakPolarHBondContact CE1-OD1 3.28Å |
| 1334 | F | 92.6 | Very high | 72 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 118.5 | 177.6 | -62.7 | -102.1 | 0 | 0 | 0 | 110 | M1246 G1281 Y1282 A1284 L1299 V1312 Y1313 | M1246-F1334 HydrophobicContact CB-CE1 4.44Å; M1246-F1334 HydrophobicContact CB-CZ 4.39Å; M1246-F1334 HydrophobicContact CE-CE1 4.39Å; M1246-F1334 HydrophobicContact CE-CE2 4.11Å; M1246-F1334 HydrophobicContact CE-CZ 3.41Å; M1246-F1334 VanDerWaalsContact CE-CZ 3.41Å; M1246-F1334 HydrophobicContact SD-CZ 4.2Å; G1281-F1334 CarbonylContact C-O 3.52Å; G1281-F1334 WeakPolarHBondContact CA-O 3.28Å; Y1282-F1334 PolarHBondContact N-O 2.95Å; Y1282-F1334 WeakPolarHBondContact O-CD2 3.44Å; Y1282-F1334 PolarHBondContact O-N 3.45Å; A1284-F1334 HydrophobicContact CB-CD2 4.48Å; A1284-F1334 HydrophobicContact CB-CE2 3.82Å; L1299-F1334 HydrophobicContact CB-CB 4.4Å; L1299-F1334 HydrophobicContact CB-CD1 3.48Å; L1299-F1334 VanDerWaalsContact CB-CD1 3.48Å; L1299-F1334 HydrophobicContact CB-CE1 3.7Å; L1299-F1334 HydrophobicContact CB-CG 3.98Å; L1299-F1334 HydrophobicContact CB-CZ 4.41Å; L1299-F1334 HydrophobicContact CD1-CD1 4.48Å; L1299-F1334 HydrophobicContact CD1-CE1 4.17Å; L1299-F1334 HydrophobicContact CD1-CE2 4.28Å; L1299-F1334 HydrophobicContact CD1-CZ 4.04Å; L1299-F1334 HydrophobicContact CD2-CB 4.16Å; L1299-F1334 HydrophobicContact CD2-CD1 4.45Å; L1299-F1334 HydrophobicContact CD2-CD2 4.39Å; L1299-F1334 HydrophobicContact CD2-CG 4.11Å; L1299-F1334 HydrophobicContact CG-CD1 4.35Å; L1299-F1334 HydrophobicContact CG-CE1 4.45Å; L1299-F1334 HydrophobicContact CG-CG 4.47Å; V1312-F1334 CarbonylContact O-C 3.44Å; V1312-F1334 VanDerWaalsContact O-CA 3.24Å; V1312-F1334 WeakPolarHBondContact O-CA 3.24Å; Y1313-F1334 VanDerWaalsContact CA-CD1 3.44Å; Y1313-F1334 HydrophobicContact CD2-CE1 4.13Å; Y1313-F1334 HydrophobicContact CD2-CE2 4.14Å; Y1313-F1334 AromaticContact CD2-CZ 3.93Å; Y1313-F1334 HydrophobicContact CD2-CZ 3.93Å; Y1313-F1334 HydrophobicContact CG-CE1 4.32Å |
| 1335 | N | 92.6 | Very high | 72.9 | Confident | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.016 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 139.5 | 172.4 | -90.3 | -43 | 0 | 0 | 0 | 110.1 | Q1200 I1207 G1210 I1211 G1311 V1312 T1314 F1333 | Q1200-N1335 PolarHBondContact NE2-OD1 3.47Å; I1207-N1335 PolarHBondContact O-ND2 3.28Å; G1210-N1335 VanDerWaalsContact CA-ND2 3.31Å; G1210-N1335 WeakPolarHBondContact CA-ND2 3.48Å; I1211-N1335 HydrophobicContact CD1-CB 4.09Å; I1211-N1335 HydrophobicContact CG1-CB 3.84Å; G1311-N1335 CarbonylContact C-O 3.41Å; G1311-N1335 WeakPolarHBondContact CA-O 3.49Å; V1312-N1335 PolarHBondContact N-O 2.69Å; V1312-N1335 PolarHBondContact O-N 2.75Å; T1314-N1335 HydrophobicContact CG2-CB 4.18Å; T1314-N1335 VanDerWaalsContact CG2-ND2 3.28Å; T1314-N1335 WeakPolarHBondContact CG2-ND2 3.39Å; F1333-N1335 WeakPolarHBondContact CE1-OD1 3.28Å |
| 1336 | S | 92 | Very high | 73.5 | Confident | 22 Ų | 22 | 44.2 Ų | 44.2 | 15% | 0.154 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 131.3 | -179.4 | 173.7 | 0 | 0 | 0 | 0 | 112.5 | I1211 E1280 H1338 | I1211-S1336 VanDerWaalsContact CD1-C 3.48Å; I1211-S1336 WeakPolarHBondContact CD1-O 3.48Å; E1280-S1336 WeakPolarHBondContact O-CB 3.37Å; E1280-S1336 PolarHBondContact O-N 3Å; E1280-S1336 VanDerWaalsContact O-N 3.14Å; S1336-H1338 VanDerWaalsContact C-N 3.32Å; S1336-H1338 PolarHBondContact O-N 2.87Å; S1336-H1338 PolarHBondContact OG-N 3.48Å; S1336-H1338 PolarHBondContact OG-ND1 2.92Å |
| 1337 | V | 90.7 | Very high | 74 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -79.2 | -9.7 | 177.7 | -59 | 0 | 0 | 0 | 0 | 114.3 | L1151 I1211 L1231 P1232 Q1309 Y1310 V1312 K1339 A1340 A1341 | L1151-V1337 HydrophobicContact CD1-CG1 4.17Å; I1211-V1337 HydrophobicContact CD1-CB 4.3Å; I1211-V1337 HydrophobicContact CD1-CG1 3.91Å; L1231-V1337 HydrophobicContact CD2-CB 4.38Å; L1231-V1337 HydrophobicContact CD2-CG2 4.1Å; P1232-V1337 HydrophobicContact CG-CG2 3.89Å; Q1309-V1337 HydrophobicContact CG-CG1 4.31Å; Q1309-V1337 WeakPolarHBondContact O-CG2 3.32Å; Y1310-V1337 PolarHBondContact O-N 3.4Å; V1312-V1337 HydrophobicContact CG2-CG1 3.99Å; V1337-K1339 VanDerWaalsContact C-N 3.34Å; V1337-K1339 PolarHBondContact O-N 2.98Å; V1337-A1340 WeakPolarHBondContact O-CA 3.3Å; V1337-A1340 WeakPolarHBondContact O-CB 3.44Å; V1337-A1340 PolarHBondContact O-N 3.35Å; V1337-A1341 PolarHBondContact O-N 3.03Å |
| 1338 | H | 86.2 | Confident | 74.2 | Confident | 13 Ų | 13 | 43.7 Ų | 43.7 | 6% | 0.06 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -55.9 | -42.9 | -168.1 | -69.1 | 86.1 | 0 | 0 | 0 | 113.9 | P1233 Y1234 G1235 Q1236 Y1282 S1336 A1341 Q1342 | P1233-H1338 PolarHBondContact O-CD2 2.89Å; Y1234-H1338 HydrophobicContact CD2-CB 4.14Å; Y1234-H1338 HydrophobicContact CE2-CB 4.42Å; G1235-H1338 PolarHBondContact N-CD2 2.86Å; G1235-H1338 VanDerWaalsContact N-CD2 3.28Å; Q1236-H1338 PolarHBondContact O-CE1 3.44Å; Q1236-H1338 PolarHBondContact O-NE2 3.45Å; Y1282-H1338 PolarHBondContact OH-CE1 2.77Å; S1336-H1338 VanDerWaalsContact C-N 3.32Å; S1336-H1338 PolarHBondContact O-N 2.87Å; S1336-H1338 PolarHBondContact OG-N 3.48Å; S1336-H1338 PolarHBondContact OG-ND1 2.92Å; H1338-A1341 PolarHBondContact O-N 2.9Å; H1338-Q1342 PolarHBondContact O-N 2.91Å; H1338-Q1342 VanDerWaalsContact O-N 3.07Å |
| 1339 | K | 81.1 | Confident | 73.9 | Confident | 80 Ų | 80 | 44.1 Ų | 44.1 | 35% | 0.348 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -66.1 | -37.4 | 177.4 | -73.8 | 178.9 | 174.7 | 155.7 | 0 | 112.5 | E1280 V1337 A1343 | E1280-K1339 IonicContact OE1-NZ 3.23Å; E1280-K1339 PolarHBondContact OE1-NZ 2.89Å; E1280-K1339 WeakPolarHBondContact OE2-CE 3.43Å; E1280-K1339 IonicContact OE2-NZ 2.65Å; E1280-K1339 PolarHBondContact OE2-NZ 2.94Å; V1337-K1339 VanDerWaalsContact C-N 3.34Å; V1337-K1339 PolarHBondContact O-N 2.98Å; K1339-A1343 PolarHBondContact O-N 3.08Å |
| 1340 | A | 78.4 | Confident | 72.8 | Confident | 2 Ų | 2 | 48.7 Ų | 48.7 | 2% | 0.017 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -71 | -38.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | V1213 V1337 A1343 F1344 | V1213-A1340 HydrophobicContact CG2-CB 3.98Å; V1337-A1340 WeakPolarHBondContact O-CA 3.3Å; V1337-A1340 WeakPolarHBondContact O-CB 3.44Å; V1337-A1340 PolarHBondContact O-N 3.35Å; A1340-A1343 PolarHBondContact O-N 3.05Å; A1340-F1344 WeakPolarHBondContact O-CD2 3.23Å |
| 1341 | A | 73 | Confident | 70.5 | Confident | 11 Ų | 11 | 55.1 Ų | 55.1 | 9% | 0.091 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.1 | -44.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1231 V1337 H1338 A1343 F1344 V1345 | L1231-A1341 HydrophobicContact CB-CB 4.03Å; L1231-A1341 HydrophobicContact CD1-CB 4.04Å; V1337-A1341 PolarHBondContact O-N 3.03Å; H1338-A1341 PolarHBondContact O-N 2.9Å; A1341-A1343 PolarHBondContact O-N 3.42Å; A1341-F1344 WeakPolarHBondContact O-CB 3.28Å; A1341-F1344 PolarHBondContact O-N 3.39Å; A1341-V1345 PolarHBondContact O-N 2.82Å |
| 1342 | Q | 74.1 | Confident | 67.7 | Low | 78 Ų | 78 | 64.2 Ų | 64.2 | 36% | 0.364 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.3 | -42.8 | 177.9 | -174.7 | 178.6 | -7.8 | 0 | 0 | 112.5 | H1338 F1344 V1345 E1346 | H1338-Q1342 PolarHBondContact O-N 2.91Å; H1338-Q1342 VanDerWaalsContact O-N 3.07Å; Q1342-F1344 PolarHBondContact O-N 2.89Å; Q1342-F1344 VanDerWaalsContact O-N 3.15Å; Q1342-V1345 PolarHBondContact O-N 2.95Å; Q1342-E1346 PolarHBondContact NE2-OE1 3.01Å; Q1342-E1346 PolarHBondContact O-N 3.44Å; Q1342-E1346 VanDerWaalsContact O-N 3.17Å |
| 1343 | A | 68.1 | Low | 64.7 | Low | 29 Ų | 29 | 69.8 Ų | 69.8 | 24% | 0.24 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65 | -17.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | K1339 A1340 A1341 | K1339-A1343 PolarHBondContact O-N 3.08Å; A1340-A1343 PolarHBondContact O-N 3.05Å; A1341-A1343 PolarHBondContact O-N 3.42Å |
| 1344 | F | 67.3 | Low | 61.4 | Low | 17 Ų | 17 | 78.8 Ų | 78.8 | 8% | 0.075 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -77.7 | -42.1 | 169.8 | -73.5 | -72.1 | 0 | 0 | 0 | 112.1 | V1135 A1137 Y1149 L1151 V1213 L1231 A1340 A1341 Q1342 K1347 | V1135-F1344 HydrophobicContact CG2-CE2 4.45Å; V1135-F1344 HydrophobicContact CG2-CZ 4.21Å; A1137-F1344 HydrophobicContact CB-CB 4.32Å; A1137-F1344 HydrophobicContact CB-CD1 4.16Å; Y1149-F1344 HydrophobicContact CD1-CD1 4.39Å; Y1149-F1344 AromaticContact CD1-CE1 3.52Å; Y1149-F1344 HydrophobicContact CD1-CE1 3.52Å; Y1149-F1344 HydrophobicContact CD1-CZ 4.36Å; Y1149-F1344 HydrophobicContact CD2-CD1 4.29Å; Y1149-F1344 AromaticContact CD2-CE1 3.94Å; Y1149-F1344 HydrophobicContact CD2-CE1 3.94Å; Y1149-F1344 HydrophobicContact CE1-CD1 4.49Å; Y1149-F1344 AromaticContact CE1-CE1 3.97Å; Y1149-F1344 HydrophobicContact CE1-CE1 3.97Å; Y1149-F1344 HydrophobicContact CE2-CD1 4.41Å; Y1149-F1344 HydrophobicContact CE2-CE1 4.36Å; Y1149-F1344 HydrophobicContact CG-CD1 4.26Å; Y1149-F1344 AromaticContact CG-CE1 3.47Å; Y1149-F1344 HydrophobicContact CG-CE1 3.47Å; Y1149-F1344 VanDerWaalsContact CG-CE1 3.47Å; Y1149-F1344 HydrophobicContact CG-CZ 4.22Å; L1151-F1344 HydrophobicContact CD2-CE2 4.17Å; L1151-F1344 HydrophobicContact CD2-CZ 4.4Å; V1213-F1344 HydrophobicContact CB-CZ 4.29Å; V1213-F1344 HydrophobicContact CG1-CE1 3.71Å; V1213-F1344 HydrophobicContact CG1-CE2 4.13Å; V1213-F1344 HydrophobicContact CG1-CZ 3.26Å; V1213-F1344 HydrophobicContact CG2-CE2 4.07Å; V1213-F1344 HydrophobicContact CG2-CZ 4.03Å; L1231-F1344 HydrophobicContact CD1-CD2 4.14Å; L1231-F1344 HydrophobicContact CD1-CE2 4.22Å; A1340-F1344 WeakPolarHBondContact O-CD2 3.23Å; A1341-F1344 WeakPolarHBondContact O-CB 3.28Å; A1341-F1344 PolarHBondContact O-N 3.39Å; Q1342-F1344 PolarHBondContact O-N 2.89Å; Q1342-F1344 VanDerWaalsContact O-N 3.15Å; F1344-K1347 PolarHBondContact O-N 3.21Å |
| 1345 | V | 58 | Low | 58.1 | Low | 84 Ų | 84 | 85.3 Ų | 85.3 | 51% | 0.509 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -67.4 | -41.7 | -176.2 | 179.9 | 0 | 0 | 0 | 0 | 110.9 | A1341 Q1342 K1347 L1348 | A1341-V1345 PolarHBondContact O-N 2.82Å; Q1342-V1345 PolarHBondContact O-N 2.95Å; V1345-K1347 PolarHBondContact O-N 3.41Å; V1345-K1347 VanDerWaalsContact O-N 3.15Å; V1345-L1348 PolarHBondContact O-N 3.26Å |
| 1346 | E | 55.7 | Low | 54.9 | Low | 141 Ų | 141 | 91 Ų | 91 | 66% | 0.659 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -14.6 | 179.2 | -71.6 | 173.5 | -172.3 | 0 | 0 | 114.1 | Q1342 | Q1342-E1346 PolarHBondContact NE2-OE1 3.01Å; Q1342-E1346 PolarHBondContact O-N 3.44Å; Q1342-E1346 VanDerWaalsContact O-N 3.17Å |
| 1347 | K | 54.3 | Low | 51.6 | Low | 163 Ų | 163 | 95.8 Ų | 95.8 | 71% | 0.709 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | -1.1 | -178.5 | -76.4 | -178 | 178.5 | 172.4 | 0 | 114.4 | F1344 V1345 P1349 | F1344-K1347 PolarHBondContact O-N 3.21Å; V1345-K1347 PolarHBondContact O-N 3.41Å; V1345-K1347 VanDerWaalsContact O-N 3.15Å; K1347-P1349 WeakPolarHBondContact O-CD 3.44Å |
| 1348 | L | 49.8 | Very low | 48.3 | Very low | 76 Ų | 76 | 106.6 Ų | 106.6 | 40% | 0.398 | 55% | 0.553 | S | S | . | * | trans | -74.7 | 122.8 | 178 | -75.9 | 159.9 | 0 | 0 | 0 | 109.3 | V1345 | V1345-L1348 PolarHBondContact O-N 3.26Š| ||
| 1349 | P | 44.9 | Very low | 45.2 | Very low | 92 Ų | 92 | 112.6 Ų | 112.6 | 60% | 0.597 | 59% | 0.585 | S | S | * | * | trans | -71.3 | 136.9 | 174.9 | 17.2 | -14.9 | 0 | 0 | 0 | 111.2 | K1347 H1351 | K1347-P1349 WeakPolarHBondContact O-CD 3.44Å; P1349-H1351 PolarHBondContact O-N 3.4Å | ||
| 1350 | D | 34.4 | Very low | 42.5 | Very low | 170 Ų | 170 | 114.6 Ų | 114.6 | 91% | 0.909 | 61% | 0.609 | S | S | * | * | trans | -62.5 | 102.2 | 167.9 | -75.7 | -36.5 | 0 | 0 | 0 | 108.9 | K1352 | D1350-K1352 PolarHBondContact O-N 2.99Å; D1350-K1352 VanDerWaalsContact O-N 3.1Å | ||
| 1351 | H | 26.7 | Very low | 39.8 | Very low | 177 Ų | 177 | 120 Ų | 120 | 82% | 0.819 | 65% | 0.647 | S | S | * | * | trans | -68.8 | 107.5 | -173 | -99.5 | -67.6 | 0 | 0 | 0 | 112.2 | P1349 | P1349-H1351 PolarHBondContact O-N 3.4Š| ||
| 1352 | K | 22.9 | Very low | 37.4 | Very low | 190 Ų | 190 | 125.3 Ų | 125.3 | 83% | 0.826 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -102.5 | 122.5 | 157.5 | -145.4 | 176.6 | -172 | 178 | 0 | 107.5 | D1350 E1354 | D1350-K1352 PolarHBondContact O-N 2.99Å; D1350-K1352 VanDerWaalsContact O-N 3.1Å; K1352-E1354 PolarHBondContact O-N 3.01Å |
| 1353 | P | 25.8 | Very low | 34.9 | Very low | 118 Ų | 118 | 127 Ų | 127 | 77% | 0.766 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 116.5 | -173 | 25.6 | -30.5 | 0 | 0 | 0 | 111.4 | ||
| 1354 | E | 20.6 | Very low | 32.8 | Very low | 189 Ų | 189 | 131.4 Ų | 131.4 | 88% | 0.883 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -78 | 123.2 | 169.6 | -78.7 | -178.2 | 154.7 | 0 | 0 | 110.3 | K1352 | K1352-E1354 PolarHBondContact O-N 3.01Š|
| 1355 | V | 23.7 | Very low | 30.5 | Very low | 137 Ų | 137 | 135.7 Ų | 135.7 | 83% | 0.83 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 122.6 | 174.8 | 178.5 | 0 | 0 | 0 | 0 | 108.4 | S1357 | V1355-S1357 PolarHBondContact O-N 3.4Š|
| 1356 | P | 25.9 | Very low | 28.9 | Very low | 122 Ų | 122 | 136.9 Ų | 136.9 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 121.9 | -178.8 | -12.8 | 27.3 | 0 | 0 | 0 | 111.2 | ||
| 1357 | S | 21.8 | Very low | 27.3 | Very low | 123 Ų | 123 | 135.2 Ų | 135.2 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 134.9 | 169.5 | 37.1 | 0 | 0 | 0 | 0 | 110.9 | V1355 | V1355-S1357 PolarHBondContact O-N 3.4Š|
| 1358 | R | 21.1 | Very low | 25.8 | Very low | 226 Ų | 226 | 132.2 Ų | 132.2 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 149.1 | -174.6 | -122.9 | 176.2 | -177.4 | 177.5 | -0.5 | 111 | ||
| 1359 | N | 22 | Very low | 24.5 | Very low | 140 Ų | 140 | 133.6 Ų | 133.6 | 75% | 0.749 | 80% | 0.796 | S | S | * | * | trans | 84.5 | 113.3 | 158.2 | -52.8 | -14.6 | 0 | 0 | 0 | 116.8 | ||||
| 1360 | S | 24.1 | Very low | 23.4 | Very low | 122 Ų | 122 | 133.9 Ų | 133.9 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | -175.7 | 138.3 | 88.7 | 28.4 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 1361 | S | 21.5 | Very low | 22.9 | Very low | 116 Ų | 116 | 130.6 Ų | 130.6 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | trans | -61.5 | 143.7 | 179.5 | 46.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1362 | S | 23.1 | Very low | 22.7 | Very low | 122 Ų | 122 | 127 Ų | 127 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | trans | -156.9 | 132.6 | 131.1 | 50.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1363 | S | 20.7 | Very low | 22.7 | Very low | 112 Ų | 112 | 123 Ų | 123 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | trans | -63.9 | 147.8 | 176.9 | 46.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1364 | S | 23.6 | Very low | 22.6 | Very low | 122 Ų | 122 | 122 Ų | 122 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | -164.3 | 123.4 | 129.5 | 32.6 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 1365 | S | 20.8 | Very low | 22.7 | Very low | 107 Ų | 107 | 117.9 Ų | 117.9 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | trans | -71.2 | 151.5 | 172.5 | 45.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1366 | S | 23.6 | Very low | 22.7 | Very low | 109 Ų | 109 | 116 Ų | 116 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | trans | 171 | 108.6 | 137.2 | 34.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1367 | S | 22.4 | Very low | 22.5 | Very low | 107 Ų | 107 | 115.4 Ų | 115.4 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | 66.3 | 123.2 | 103.9 | 73 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1368 | S | 22.5 | Very low | 22.6 | Very low | 100 Ų | 100 | 114.1 Ų | 114.1 | 70% | 0.699 | 75% | 0.753 | S | S | * | * | 168.9 | 151.7 | 53.6 | 40.8 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 1369 | S | 22.6 | Very low | 22.6 | Very low | 104 Ų | 104 | 108.2 Ų | 108.2 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | trans | 48.3 | 137 | 141.1 | 56.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1370 | S | 22.7 | Very low | 22.7 | Very low | 98 Ų | 98 | 106.7 Ų | 106.7 | 69% | 0.685 | 75% | 0.746 | S | S | * | * | cis | 174.3 | 158.5 | 27.5 | 32.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1371 | S | 22.7 | Very low | 22.7 | Very low | 102 Ų | 102 | 106.5 Ų | 106.5 | 71% | 0.713 | 75% | 0.745 | S | S | * | * | trans | 62 | 136.7 | 141 | 59.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1372 | S | 21.8 | Very low | 22.7 | Very low | 100 Ų | 100 | 106.4 Ų | 106.4 | 70% | 0.699 | 74% | 0.744 | S | S | * | * | cis | 177 | 139.3 | 12.1 | 36.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1373 | S | 23.4 | Very low | 22.7 | Very low | 107 Ų | 107 | 106.7 Ų | 106.7 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | trans | 23 | 144.5 | 133.8 | 62.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1374 | S | 23.6 | Very low | 22.7 | Very low | 98 Ų | 98 | 106.6 Ų | 106.6 | 69% | 0.685 | 75% | 0.745 | S | S | * | * | cis | 171.1 | 166.2 | 21.3 | 30.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1375 | S | 22.5 | Very low | 22.6 | Very low | 102 Ų | 102 | 106.3 Ų | 106.3 | 71% | 0.713 | 74% | 0.744 | S | S | * | * | trans | 65.6 | 141.8 | 142.1 | 55.5 | 0 | 0 | 0 | 0 | 119 | ||||
| 1376 | S | 23.5 | Very low | 22.7 | Very low | 97 Ų | 97 | 106 Ų | 106 | 68% | 0.678 | 74% | 0.741 | S | S | * | * | cis | 170.2 | 159.5 | -13.9 | 43 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 1377 | S | 22.4 | Very low | 22.6 | Very low | 110 Ų | 110 | 105.6 Ų | 105.6 | 77% | 0.769 | 74% | 0.738 | S | S | * | * | trans | 70.2 | 151.3 | 152.9 | 74.4 | 0 | 0 | 0 | 0 | 118 | ||||
| 1378 | S | 23.1 | Very low | 22.5 | Very low | 96 Ų | 96 | 106.3 Ų | 106.3 | 67% | 0.671 | 74% | 0.743 | S | S | * | * | cis | 177.7 | 132 | -22.9 | 47.7 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1379 | S | 23 | Very low | 22.7 | Very low | 101 Ų | 101 | 105.5 Ų | 105.5 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | trans | 54.9 | 132.8 | 137.1 | 67.7 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 1380 | S | 23.5 | Very low | 22.6 | Very low | 109 Ų | 109 | 105.6 Ų | 105.6 | 76% | 0.762 | 75% | 0.752 | S | S | * | * | 107.6 | 138.2 | 123.1 | 75.1 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 1381 | S | 23.4 | Very low | 22.6 | Very low | 117 Ų | 117 | 112.4 Ų | 112.4 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | 104.5 | 121.6 | 142.5 | 74.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1382 | S | 22.4 | Very low | 22.6 | Very low | 115 Ų | 115 | 116.4 Ų | 116.4 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | -76.3 | 155.6 | 170.4 | 46.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1383 | S | 22.4 | Very low | 22.7 | Very low | 128 Ų | 128 | 120.3 Ų | 120.3 | 90% | 0.895 | 78% | 0.783 | S | S | * | * | trans | -161.6 | 152.3 | 148 | 48.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1384 | S | 21.4 | Very low | 22.9 | Very low | 109 Ų | 109 | 121 Ų | 121 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | trans | -109.8 | 151.9 | -169 | 46.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1385 | S | 21.7 | Very low | 23.3 | Very low | 117 Ų | 117 | 121.9 Ų | 121.9 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | 157.1 | 156.8 | 161.7 | 44.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1386 | S | 21.2 | Very low | 23.6 | Very low | 100 Ų | 100 | 121.6 Ų | 121.6 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | cis | -174.1 | 156.6 | -12.6 | 42.8 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 1387 | S | 21.8 | Very low | 23.7 | Very low | 100 Ų | 100 | 123.5 Ų | 123.5 | 70% | 0.699 | 79% | 0.789 | S | S | * | * | trans | 66.7 | 121.4 | 142.4 | 65.5 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 1388 | S | 21.1 | Very low | 23.9 | Very low | 122 Ų | 122 | 126.1 Ų | 126.1 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | 68.6 | 124.5 | 125.8 | 66.3 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 1389 | G | 27 | Very low | 24.1 | Very low | 83 Ų | 83 | 126.9 Ų | 126.9 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | trans | -176.2 | 96.5 | 163 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1390 | S | 20.1 | Very low | 24.4 | Very low | 107 Ų | 107 | 127.5 Ų | 127.5 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | trans | -79.4 | 143.1 | 177.9 | 46.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1391 | Y | 23.2 | Very low | 24.4 | Very low | 241 Ų | 241 | 127.9 Ų | 127.9 | 95% | 0.945 | 80% | 0.799 | S | S | * | * | trans | -155.1 | 126.5 | 145.7 | -90.9 | -73.8 | 0 | 0 | 0 | 110.4 | ||||
| 1392 | E | 21.8 | Very low | 24.4 | Very low | 186 Ų | 186 | 131.9 Ų | 131.9 | 87% | 0.869 | 80% | 0.801 | S | S | * | * | trans | -75.6 | 150.4 | 176.5 | -76.6 | 165.2 | 122.6 | 0 | 0 | 113.1 | ||||
| 1393 | L | 25.3 | Very low | 24.3 | Very low | 181 Ų | 181 | 133.5 Ų | 133.5 | 95% | 0.948 | 80% | 0.801 | S | S | * | * | trans | -157.8 | 102.5 | 150.3 | -103.5 | 149.4 | 0 | 0 | 0 | 108.3 | ||||
| 1394 | C | 26 | Very low | 24.5 | Very low | 121 Ų | 121 | 136.6 Ų | 136.6 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -109.6 | 161.7 | 158.2 | -98.1 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1395 | P | 32.5 | Very low | 24.3 | Very low | 117 Ų | 117 | 136 Ų | 136 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | cis | -149 | -147.8 | 47 | 36.5 | -8.7 | 0 | 0 | 0 | 112.3 | ||||
| 1396 | P | 29.6 | Very low | 24.3 | Very low | 96 Ų | 96 | 142 Ų | 142 | 62% | 0.623 | 80% | 0.802 | S | S | * | * | -140.4 | -176 | -80.7 | 45.3 | -27.7 | 0 | 0 | 0 | 115.5 | |||||
| 1397 | D | 26 | Very low | 24.2 | Very low | 138 Ų | 138 | 145.6 Ų | 145.6 | 74% | 0.738 | 81% | 0.808 | S | S | * | * | trans | 78 | 112.3 | 142.8 | -65.8 | -25.6 | 0 | 0 | 0 | 124 | ||||
| 1398 | L | 24.8 | Very low | 24.3 | Very low | 165 Ų | 165 | 149.1 Ų | 149.1 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | 153.1 | 152.1 | 107.9 | -91.7 | 136.1 | 0 | 0 | 0 | 113 | |||||
| 1399 | P | 27.2 | Very low | 24.6 | Very low | 111 Ų | 111 | 149.6 Ų | 149.6 | 72% | 0.721 | 81% | 0.811 | S | S | * | * | trans | -133 | -139.9 | -136.4 | 38.3 | -12.2 | 0 | 0 | 0 | 111.8 | ||||
| 1400 | P | 30.8 | Very low | 24.5 | Very low | 115 Ų | 115 | 150.5 Ų | 150.5 | 75% | 0.747 | 80% | 0.801 | S | S | * | * | -109.6 | 165.6 | -125.3 | 30 | -8 | 0 | 0 | 0 | 114.9 | |||||
| 1401 | C | 22.4 | Very low | 24.5 | Very low | 117 Ų | 117 | 151.4 Ų | 151.4 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | trans | -143.2 | 121.9 | 166.8 | -92.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1402 | K | 23.5 | Very low | 24.5 | Very low | 200 Ų | 200 | 148.2 Ų | 148.2 | 87% | 0.87 | 80% | 0.796 | S | S | * | * | trans | 83.3 | 105.6 | 138.7 | -64.7 | -175 | 176.5 | -174.7 | 0 | 120.5 | ||||
| 1403 | N | 21.4 | Very low | 24.7 | Very low | 150 Ų | 150 | 145.1 Ų | 145.1 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | trans | -41.7 | 146.3 | 145.7 | -64.8 | -19.5 | 0 | 0 | 0 | 113.6 | ||||
| 1404 | E | 25.1 | Very low | 24.5 | Very low | 193 Ų | 193 | 144.7 Ų | 144.7 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | trans | -155.7 | 136.3 | 134.3 | -109.3 | 167.3 | -151.6 | 0 | 0 | 109 | ||||
| 1405 | S | 19 | Very low | 24.5 | Very low | 95 Ų | 95 | 147.6 Ų | 147.6 | 66% | 0.664 | 79% | 0.786 | S | S | * | * | trans | -140.9 | 118.4 | -158.5 | 47.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1406 | W | 20.1 | Very low | 24.1 | Very low | 245 Ų | 245 | 146.9 Ų | 146.9 | 93% | 0.928 | 78% | 0.784 | S | S | * | * | trans | -160.2 | 109.7 | 162.8 | -64 | 83.9 | 0 | 0 | 0 | 105.1 | ||||
| 1407 | E | 20.3 | Very low | 23.9 | Very low | 174 Ų | 174 | 148.7 Ų | 148.7 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | 39.3 | 126.8 | 73.4 | -85.4 | 178.1 | 172.9 | 0 | 0 | 111.7 | |||||
| 1408 | E | 22.5 | Very low | 24.1 | Very low | 174 Ų | 174 | 146.7 Ų | 146.7 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | cis | -172.3 | 163.7 | 38.3 | -116.7 | 171.7 | 170.8 | 0 | 0 | 109.1 | ||||
| 1409 | V | 27.7 | Very low | 24.3 | Very low | 133 Ų | 133 | 146 Ų | 146 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | trans | -103.2 | 135.4 | 167.5 | 169 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 1410 | P | 25 | Very low | 24.2 | Very low | 101 Ų | 101 | 146.2 Ų | 146.2 | 66% | 0.656 | 79% | 0.789 | S | S | * | * | -164.4 | 166.2 | 93.7 | 40.4 | -17 | 0 | 0 | 0 | 119.9 | |||||
| 1411 | T | 20.7 | Very low | 23.9 | Very low | 126 Ų | 126 | 149 Ų | 149 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | 80.9 | 114 | 138.6 | 47.7 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 1412 | H | 23.6 | Very low | 24 | Very low | 175 Ų | 175 | 147.7 Ų | 147.7 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | 5.5 | 144.6 | 139.9 | -79.5 | -67.6 | 0 | 0 | 0 | 121.8 | ||||
| 1413 | P | 25.6 | Very low | 24 | Very low | 120 Ų | 120 | 144.3 Ų | 144.3 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | -147.1 | 137.7 | 86.8 | 34.6 | -15.6 | 0 | 0 | 0 | 114.5 | |||||
| 1414 | Q | 20.5 | Very low | 24.3 | Very low | 173 Ų | 173 | 141.7 Ų | 141.7 | 81% | 0.808 | 77% | 0.774 | S | S | * | * | 45.2 | 108.7 | 88.9 | -74.6 | -161.1 | -7.4 | 0 | 0 | 117.6 | |||||
| 1415 | H | 26 | Very low | 24.1 | Very low | 182 Ų | 182 | 138.7 Ų | 138.7 | 84% | 0.843 | 77% | 0.769 | S | S | * | * | trans | -162 | 103.5 | 148.1 | -104.6 | -72.7 | 0 | 0 | 0 | 107.2 | ||||
| 1416 | S | 24.4 | Very low | 24.6 | Very low | 101 Ų | 101 | 139.6 Ų | 139.6 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | 92.3 | 110 | 86.7 | 65.5 | 0 | 0 | 0 | 0 | 114 | |||||
| 1417 | V | 25.1 | Very low | 24.9 | Very low | 134 Ų | 134 | 132.1 Ų | 132.1 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | trans | -59.2 | -175.1 | 163.6 | -171.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1418 | P | 30.5 | Very low | 25.5 | Very low | 97 Ų | 97 | 129.4 Ų | 129.4 | 63% | 0.63 | 76% | 0.761 | S | S | * | * | cis | -126.3 | 168.5 | -26.9 | 19.1 | 3.6 | 0 | 0 | 0 | 113.8 | ||||
| 1419 | V | 29.8 | Very low | 25.8 | Very low | 150 Ų | 150 | 127.2 Ų | 127.2 | 91% | 0.909 | 76% | 0.759 | S | S | * | * | trans | -142.5 | 118.8 | 135.2 | -179.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 1420 | T | 23.3 | Very low | 25.9 | Very low | 115 Ų | 115 | 126.9 Ų | 126.9 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | trans | -98 | 140.8 | 169.5 | -4.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1421 | L | 26.3 | Very low | 25.9 | Very low | 173 Ų | 173 | 130.4 Ų | 130.4 | 91% | 0.906 | 77% | 0.765 | S | S | * | * | trans | -166.2 | 151.8 | 133.2 | -100.5 | 138.1 | 0 | 0 | 0 | 112.5 | ||||
| 1422 | P | 24.2 | Very low | 26.3 | Very low | 90 Ų | 90 | 129.9 Ų | 129.9 | 58% | 0.584 | 76% | 0.764 | S | S | * | * | trans | -125.7 | 164.8 | -158.3 | 38.9 | -20.9 | 0 | 0 | 0 | 115.8 | ||||
| 1423 | T | 23.6 | Very low | 26.4 | Very low | 129 Ų | 129 | 128 Ų | 128 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | trans | 67.3 | 174.9 | 143.4 | 54.3 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1424 | P | 26 | Very low | 26.5 | Very low | 96 Ų | 96 | 127.6 Ų | 127.6 | 62% | 0.623 | 76% | 0.762 | S | S | * | * | -141.9 | 165.5 | -62.4 | 41.3 | -24.8 | 0 | 0 | 0 | 115.1 | |||||
| 1425 | T | 22.6 | Very low | 26.7 | Very low | 129 Ų | 129 | 126.3 Ų | 126.3 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | trans | 63.8 | 173.6 | 144.1 | 51.3 | 0 | 0 | 0 | 0 | 121 | ||||
| 1426 | P | 28.7 | Very low | 26.7 | Very low | 114 Ų | 114 | 122.7 Ų | 122.7 | 74% | 0.74 | 76% | 0.758 | S | S | * | * | -139 | -179.1 | -57.6 | 40.7 | -23.5 | 0 | 0 | 0 | 115 | |||||
| 1427 | A | 25.6 | Very low | 26.6 | Very low | 88 Ų | 88 | 126.7 Ų | 126.7 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | trans | 94.9 | 168.1 | 143.9 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1428 | P | 34 | Very low | 26.7 | Very low | 118 Ų | 118 | 125.3 Ų | 125.3 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | -129.9 | -150.2 | -107.2 | 34.3 | -9.8 | 0 | 0 | 0 | 113 | |||||
| 1429 | V | 28 | Very low | 26.4 | Very low | 128 Ų | 128 | 129.7 Ų | 129.7 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | trans | 105.7 | 116.8 | 172.9 | -170.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1430 | T | 30.3 | Very low | 26.1 | Very low | 125 Ų | 125 | 131.3 Ų | 131.3 | 77% | 0.767 | 77% | 0.77 | S | S | * | * | -174.3 | 135.9 | 69.8 | -31.3 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 1431 | E | 24.6 | Very low | 26.2 | Very low | 176 Ų | 176 | 131.5 Ų | 131.5 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | trans | -95.3 | 146.6 | 155.9 | -73.1 | -176.6 | 162.5 | 0 | 0 | 109 | ||||
| 1432 | P | 29.4 | Very low | 26 | Very low | 114 Ų | 114 | 128.7 Ų | 128.7 | 74% | 0.74 | 77% | 0.768 | S | S | * | * | -152.7 | 133.3 | 100.3 | 32.3 | -11.4 | 0 | 0 | 0 | 114.4 | |||||
| 1433 | V | 26.1 | Very low | 26.1 | Very low | 135 Ų | 135 | 133.2 Ų | 133.2 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | 72.6 | 141.4 | 92.7 | 177 | 0 | 0 | 0 | 0 | 116 | |||||
| 1434 | P | 27.9 | Very low | 26.2 | Very low | 112 Ų | 112 | 133.4 Ų | 133.4 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | -112.2 | 175.2 | -142 | 42.6 | -33.5 | 0 | 0 | 0 | 116 | ||||
| 1435 | T | 24.3 | Very low | 26 | Very low | 146 Ų | 146 | 138.3 Ų | 138.3 | 90% | 0.896 | 80% | 0.797 | S | S | * | * | trans | -107.8 | 128.9 | 163.4 | 15.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1436 | P | 26.2 | Very low | 26.1 | Very low | 106 Ų | 106 | 137.2 Ų | 137.2 | 69% | 0.688 | 80% | 0.795 | S | S | * | * | trans | -103.7 | 158.9 | -173.7 | 38.4 | -33.6 | 0 | 0 | 0 | 115.3 | ||||
| 1437 | E | 22.6 | Very low | 26.1 | Very low | 185 Ų | 185 | 138 Ų | 138 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | trans | 51.6 | 146.6 | 146.1 | -75.7 | 179 | 173.3 | 0 | 0 | 120.6 | ||||
| 1438 | P | 27 | Very low | 26.1 | Very low | 106 Ų | 106 | 139.3 Ų | 139.3 | 69% | 0.688 | 80% | 0.804 | S | S | * | * | cis | -151.8 | 169.1 | 46.6 | 39.5 | -16.2 | 0 | 0 | 0 | 119.3 | ||||
| 1439 | E | 25 | Very low | 25.7 | Very low | 189 Ų | 189 | 143.5 Ų | 143.5 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | trans | 84.2 | 114.7 | 139 | -80.8 | 167.9 | -175.1 | 0 | 0 | 124.4 | ||||
| 1440 | Q | 22.5 | Very low | 25.5 | Very low | 183 Ų | 183 | 147 Ų | 147 | 86% | 0.855 | 82% | 0.817 | S | S | * | * | trans | -40.7 | 161.5 | 153.8 | -76.7 | 179 | -20.7 | 0 | 0 | 114.6 | ||||
| 1441 | P | 26.1 | Very low | 25.2 | Very low | 119 Ų | 119 | 150 Ų | 150 | 77% | 0.773 | 82% | 0.823 | S | S | * | * | cis | -148.4 | 168.1 | 45 | 37 | -13.4 | 0 | 0 | 0 | 118.7 | ||||
| 1442 | S | 21.6 | Very low | 25.1 | Very low | 114 Ų | 114 | 151 Ų | 151 | 80% | 0.797 | 82% | 0.824 | S | S | * | * | trans | -53.1 | 134 | 172.7 | 50.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1443 | E | 26 | Very low | 25 | Very low | 186 Ų | 186 | 151.4 Ų | 151.4 | 87% | 0.869 | 83% | 0.827 | S | S | * | * | trans | -120.3 | 107 | 154.1 | -80.9 | -171.5 | 161.7 | 0 | 0 | 110.3 | ||||
| 1444 | T | 25 | Very low | 24.9 | Very low | 132 Ų | 132 | 153.4 Ų | 153.4 | 81% | 0.81 | 83% | 0.828 | S | S | * | * | trans | 30.5 | 100.6 | 140.3 | 19.3 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1445 | E | 22.8 | Very low | 24.9 | Very low | 199 Ų | 199 | 154.1 Ų | 154.1 | 93% | 0.93 | 83% | 0.832 | S | S | * | * | trans | -60.9 | 133.5 | 156.3 | -69.9 | 176.9 | 151 | 0 | 0 | 111.1 | ||||
| 1446 | S | 25 | Very low | 25.1 | Very low | 107 Ų | 107 | 156.1 Ų | 156.1 | 75% | 0.748 | 83% | 0.831 | S | S | * | * | trans | -128.4 | 140.7 | 158 | 41.7 | 0 | 0 | 0 | 0 | 109.3 | S1448 | S1446-S1448 PolarHBondContact O-N 2.92Š| ||
| 1447 | P | 27.3 | Very low | 25.4 | Very low | 131 Ų | 131 | 155.3 Ų | 155.3 | 85% | 0.851 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 120 | -158.4 | 5.2 | 13.1 | 0 | 0 | 0 | 110.4 | ||
| 1448 | S | 26.5 | Very low | 26.2 | Very low | 115 Ų | 115 | 150.4 Ų | 150.4 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 132.5 | 169.2 | 45 | 0 | 0 | 0 | 0 | 110.2 | S1446 E1450 | S1446-S1448 PolarHBondContact O-N 2.92Å; S1448-E1450 PolarHBondContact O-N 3.37Å |
| 1449 | K | 25.2 | Very low | 27 | Very low | 206 Ų | 206 | 150.4 Ų | 150.4 | 90% | 0.896 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 124.2 | 176.5 | -73.6 | 172 | 173.3 | 174.8 | 0 | 110.1 | E1451 | K1449-E1451 PolarHBondContact O-N 3.48Å; K1449-E1451 VanDerWaalsContact O-N 3.08Å |
| 1450 | E | 24.5 | Very low | 28 | Very low | 201 Ų | 201 | 142.8 Ų | 142.8 | 94% | 0.939 | 76% | 0.763 | S | S | * | * | trans | -59.7 | 104 | 171.4 | -76.2 | 177.8 | 137.2 | 0 | 0 | 110.8 | S1448 | S1448-E1450 PolarHBondContact O-N 3.37Š| ||
| 1451 | E | 23.6 | Very low | 29.3 | Very low | 188 Ų | 188 | 139.6 Ų | 139.6 | 88% | 0.879 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 120 | 163.7 | -152.8 | 166.7 | -156.2 | 0 | 0 | 107.8 | K1449 | K1449-E1451 PolarHBondContact O-N 3.48Å; K1449-E1451 VanDerWaalsContact O-N 3.08Å |
| 1452 | K | 23.6 | Very low | 30.4 | Very low | 196 Ų | 196 | 139.2 Ų | 139.2 | 85% | 0.852 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 132.9 | -177.6 | -83.2 | 176.5 | 174.1 | 175.5 | 0 | 110.8 | Q1454 | K1452-Q1454 PolarHBondContact O-N 3.18Š|
| 1453 | P | 26.2 | Very low | 31.5 | Very low | 123 Ų | 123 | 136.8 Ų | 136.8 | 80% | 0.799 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 126.3 | -171.1 | 27.5 | -33.4 | 0 | 0 | 0 | 111.6 | ||
| 1454 | Q | 23 | Very low | 32.7 | Very low | 178 Ų | 178 | 128.6 Ų | 128.6 | 83% | 0.832 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 140.9 | 157.5 | -77.8 | -168.8 | -30.3 | 0 | 0 | 108.8 | K1452 E1456 | K1452-Q1454 PolarHBondContact O-N 3.18Å; Q1454-E1456 PolarHBondContact O-N 3.21Å |
| 1455 | P | 29.5 | Very low | 33.7 | Very low | 127 Ų | 127 | 124.5 Ų | 124.5 | 83% | 0.825 | 65% | 0.65 | S | S | * | * | trans | -66.8 | 110.1 | -176.1 | 26.8 | -32.6 | 0 | 0 | 0 | 110 | L1457 | P1455-L1457 PolarHBondContact O-N 3.04Š| ||
| 1456 | E | 28.8 | Very low | 34.7 | Very low | 188 Ų | 188 | 124 Ų | 124 | 88% | 0.879 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 125.3 | 170.6 | -80.9 | -176.8 | 147.9 | 0 | 0 | 109.7 | Q1454 | Q1454-E1456 PolarHBondContact O-N 3.21Š|
| 1457 | L | 32.3 | Very low | 35.5 | Very low | 89 Ų | 89 | 126 Ų | 126 | 47% | 0.466 | 64% | 0.64 | S | S | . | * | P | Polyproline II helix | trans | -62 | 132.3 | 171.5 | -108.5 | 130.4 | 0 | 0 | 0 | 109.2 | P1455 L1459 Y1604 | P1455-L1457 PolarHBondContact O-N 3.04Å; L1457-L1459 PolarHBondContact O-N 3.46Å; L1457-Y1604 HydrophobicContact CD1-CD1 3.62Å; L1457-Y1604 HydrophobicContact CD1-CE1 4.22Å |
| 1458 | P | 37.8 | Very low | 36.2 | Very low | 82 Ų | 82 | 124.8 Ų | 124.8 | 53% | 0.532 | 63% | 0.632 | S | S | . | * | P | Polyproline II helix | trans | -59.2 | 129.6 | 177 | -2 | 5.7 | 0 | 0 | 0 | 110.2 | ||
| 1459 | L | 45.6 | Very low | 36.9 | Very low | 105 Ų | 105 | 128.4 Ų | 128.4 | 55% | 0.55 | 64% | 0.636 | S | S | . | * | P | Polyproline II helix | trans | -59.8 | 141.6 | 172.3 | -106 | 83.4 | 0 | 0 | 0 | 109.3 | L1457 R1461 D1462 | L1457-L1459 PolarHBondContact O-N 3.46Å; L1459-R1461 PolarHBondContact O-N 3.05Å; L1459-D1462 PolarHBondContact O-N 2.79Å |
| 1460 | I | 45.9 | Very low | 37.9 | Very low | 29 Ų | 29 | 123.9 Ų | 123.9 | 15% | 0.149 | 62% | 0.618 | C | S | . | * | G | 310 helix | trans | -43.6 | -33.8 | 172.4 | -82.4 | -178.9 | 0 | 0 | 0 | 112.4 | D1462 L1463 Y1464 Q1624 L1648 Y1696 | I1460-D1462 PolarHBondContact O-N 3.21Å; I1460-L1463 PolarHBondContact O-N 2.87Å; I1460-Y1464 HydrophobicContact CG2-CE2 3.76Å; I1460-Y1464 VanDerWaalsContact O-CD2 3.3Å; I1460-Y1464 WeakPolarHBondContact O-CD2 3.29Å; I1460-Q1624 HydrophobicContact CD1-CB 3.68Å; I1460-Q1624 HydrophobicContact CG1-CB 4.15Å; I1460-L1648 HydrophobicContact CD1-CD2 4.01Å; I1460-Y1696 HydrophobicContact CG2-CE1 4.11Å |
| 1461 | R | 48.5 | Very low | 39 | Very low | 116 Ų | 116 | 119.1 Ų | 119.1 | 44% | 0.438 | 61% | 0.607 | S | S | . | * | G | 310 helix | trans | -59.8 | -29 | -178.9 | -63 | -178.2 | -178 | 170.7 | 3.1 | 113.3 | L1459 Q1689 | L1459-R1461 PolarHBondContact O-N 3.05Å; R1461-Q1689 PolarHBondContact NH2-O 3.14Å |
| 1462 | D | 49.9 | Very low | 40.4 | Very low | 112 Ų | 112 | 111.9 Ų | 111.9 | 60% | 0.599 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -87.1 | -12.7 | -176.3 | -62.9 | -35.5 | 0 | 0 | 0 | 113.8 | L1459 I1460 | L1459-D1462 PolarHBondContact O-N 2.79Å; I1460-D1462 PolarHBondContact O-N 3.21Å |
| 1463 | L | 45.6 | Very low | 42.1 | Very low | 63 Ų | 63 | 103.1 Ų | 103.1 | 33% | 0.33 | 54% | 0.539 | S | S | . | . | G | 310 helix | trans | -87.4 | -5.1 | -178.6 | -68 | 170.5 | 0 | 0 | 0 | 113.7 | I1460 P1622 | I1460-L1463 PolarHBondContact O-N 2.87Å; L1463-P1622 HydrophobicContact CB-CB 4.34Å; L1463-P1622 HydrophobicContact CD1-CB 4.48Å |
| 1464 | Y | 50.3 | Low | 44 | Very low | 14 Ų | 14 | 97.5 Ų | 97.5 | 6% | 0.055 | 50% | 0.502 | C | S | . | . | S | Bend | trans | -98.6 | 148.7 | 175.8 | -68.1 | -81.2 | 0 | 0 | 0 | 111.3 | I1460 K1466 P1622 R1650 | I1460-Y1464 HydrophobicContact CG2-CE2 3.76Å; I1460-Y1464 VanDerWaalsContact O-CD2 3.3Å; I1460-Y1464 WeakPolarHBondContact O-CD2 3.29Å; Y1464-K1466 PolarHBondContact O-N 3.49Å; Y1464-P1622 HydrophobicContact CD1-CG 4.36Å; Y1464-P1622 HydrophobicContact CE1-CG 3.71Å; Y1464-P1622 HydrophobicContact CE2-CG 4.23Å; Y1464-R1650 VanDerWaalsContact CE1-CD 3.45Å; Y1464-R1650 HydrophobicContact CE1-CG 4.22Å; Y1464-R1650 VanDerWaalsContact CZ-CD 3.47Å; Y1464-R1650 WeakPolarHBondContact OH-CG 3.38Å |
| 1465 | P | 46.3 | Very low | 46 | Very low | 45 Ų | 45 | 89.7 Ų | 89.7 | 29% | 0.292 | 47% | 0.466 | S | S | . | . | trans | -53.3 | 132.4 | 174.4 | 18.6 | -28.7 | 0 | 0 | 0 | 110.9 | K1467 | P1465-K1467 PolarHBondContact O-N 3.46Š| ||
| 1466 | K | 43.9 | Very low | 47.7 | Very low | 188 Ų | 188 | 85.1 Ų | 85.1 | 82% | 0.817 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -68.3 | -18.3 | -175.2 | -73.9 | -174.1 | 176.4 | -177.4 | 0 | 113.6 | Y1464 P1468 | Y1464-K1466 PolarHBondContact O-N 3.49Å; K1466-P1468 WeakPolarHBondContact O-CD 3.37Å |
| 1467 | K | 41.1 | Very low | 49.1 | Very low | 149 Ų | 149 | 78.5 Ų | 78.5 | 65% | 0.648 | 41% | 0.406 | S | S | * | . | trans | -67.6 | 123.4 | -176.5 | -76.7 | -172.6 | 177 | -177.7 | 0 | 110.3 | P1465 E1469 | P1465-K1467 PolarHBondContact O-N 3.46Å; K1467-E1469 VanDerWaalsContact C-N 3.25Å; K1467-E1469 PolarHBondContact O-N 3.26Å | ||
| 1468 | P | 42.9 | Very low | 50.2 | Low | 107 Ų | 107 | 77.7 Ų | 77.7 | 70% | 0.695 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -22.6 | -178.4 | -17.3 | 29.8 | 0 | 0 | 0 | 114.2 | K1466 | K1466-P1468 WeakPolarHBondContact O-CD 3.37Š|
| 1469 | E | 41.3 | Very low | 50.9 | Low | 190 Ų | 190 | 78.5 Ų | 78.5 | 89% | 0.888 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -11.3 | -168.5 | -64.1 | -171.3 | 165.9 | 0 | 0 | 114.4 | K1467 | K1467-E1469 VanDerWaalsContact C-N 3.25Å; K1467-E1469 PolarHBondContact O-N 3.26Å |
| 1470 | E | 45.1 | Very low | 51.1 | Low | 111 Ų | 111 | 78.8 Ų | 78.8 | 52% | 0.519 | 41% | 0.406 | S | S | . | . | trans | -95.5 | 102.8 | 170.7 | -79.3 | 166.6 | -175.9 | 0 | 0 | 108.6 | D1472 | E1470-D1472 PolarHBondContact O-N 3.13Š| ||
| 1471 | S | 47 | Very low | 51.2 | Low | 101 Ų | 101 | 86.4 Ų | 86.4 | 71% | 0.706 | 44% | 0.438 | S | S | * | . | trans | -62.6 | 9.6 | 171.9 | -179.4 | 0 | 0 | 0 | 0 | 113.4 | A1473 | S1471-A1473 PolarHBondContact O-N 2.92Š| ||
| 1472 | D | 54.5 | Low | 51.4 | Low | 36 Ų | 36 | 90.6 Ų | 90.6 | 19% | 0.193 | 46% | 0.462 | C | S | . | . | trans | -76.7 | 125.8 | -167.3 | -81.6 | 14 | 0 | 0 | 0 | 111.7 | E1470 H1474 H1615 R1650 | E1470-D1472 PolarHBondContact O-N 3.13Å; D1472-H1474 PolarHBondContact O-N 3.05Å; D1472-H1474 IonicContact OD2-CE1 3.93Å; D1472-H1474 IonicContact OD2-NE2 3.75Å; D1472-H1615 IonicContact OD1-CE1 3.88Å; D1472-H1615 PolarHBondContact OD1-CE1 2.99Å; D1472-H1615 VanDerWaalsContact OD1-CE1 3.27Å; D1472-H1615 IonicContact OD2-CE1 2.78Å; D1472-H1615 PolarHBondContact OD2-CE1 2.92Å; D1472-H1615 IonicContact OD2-ND1 2.76Å; D1472-H1615 PolarHBondContact OD2-ND1 3.26Å; D1472-R1650 PolarHBondContact O-NH1 3.45Å | ||
| 1473 | A | 58.7 | Low | 51.6 | Low | 12 Ų | 12 | 87.4 Ų | 87.4 | 10% | 0.099 | 46% | 0.457 | C | S | . | . | S | Bend | trans | -82.5 | 4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | S1471 R1650 A1653 | S1471-A1473 PolarHBondContact O-N 2.92Å; A1473-R1650 HydrophobicContact CB-CB 3.84Å; A1473-A1653 HydrophobicContact CB-CB 3.71Å; A1473-A1653 WeakPolarHBondContact O-CB 3.41Å |
| 1474 | H | 65.6 | Low | 52.6 | Low | 5 Ų | 5 | 88.7 Ų | 88.7 | 2% | 0.023 | 46% | 0.457 | C | S | . | . | S | Bend | trans | -140.8 | 167.1 | -177.3 | 59.2 | -87 | 0 | 0 | 0 | 111.1 | D1472 H1476 C1613 H1615 A1619 V1621 A1653 | D1472-H1474 PolarHBondContact O-N 3.05Å; D1472-H1474 IonicContact OD2-CE1 3.93Å; D1472-H1474 IonicContact OD2-NE2 3.75Å; H1474-H1476 AromaticContact CD2-CE1 3.98Å; H1474-H1476 AromaticContact NE2-CE1 3.55Å; H1474-H1476 AromaticContact NE2-NE2 4Å; H1474-C1613 VanDerWaalsContact CD2-CB 3.47Å; H1474-C1613 WeakPolarHBondContact CD2-CB 3.42Å; H1474-C1613 WeakPolarHBondContact NE2-CB 3.33Å; H1474-C1613 PolarHBondContact NE2-SG 3.02Å; H1474-H1615 AromaticContact CE1-CE1 3.83Å; H1474-H1615 AromaticContact CE1-ND1 3.47Å; H1474-H1615 PolarHBondContact CE1-ND1 2.9Å; H1474-H1615 AromaticContact NE2-ND1 3.39Å; H1474-H1615 PolarHBondContact NE2-ND1 3.22Å; H1474-A1619 HydrophobicContact CB-CB 4.17Å; H1474-V1621 HydrophobicContact CB-CG2 3.73Å; H1474-A1653 WeakPolarHBondContact CB-O 3.29Å; H1474-A1653 PolarHBondContact ND1-O 3.4Å |
| 1475 | V | 66.2 | Low | 53 | Low | 14 Ų | 14 | 88 Ų | 88 | 9% | 0.085 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 131.4 | 176 | -178.7 | 0 | 0 | 0 | 0 | 109.1 | A1619 I1620 | V1475-A1619 WeakPolarHBondContact O-CA 3.38Å; V1475-I1620 HydrophobicContact CB-CG1 3.96Å; V1475-I1620 PolarHBondContact N-O 3.31Å; V1475-I1620 PolarHBondContact O-N 3.26Å |
| 1476 | H | 64.8 | Low | 54 | Low | 31 Ų | 31 | 89.1 Ų | 89.1 | 14% | 0.144 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 133.8 | 172.6 | -70.5 | -52.4 | 0 | 0 | 0 | 111.5 | H1474 S1478 D1479 C1613 H1615 | H1474-H1476 AromaticContact CD2-CE1 3.98Å; H1474-H1476 AromaticContact NE2-CE1 3.55Å; H1474-H1476 AromaticContact NE2-NE2 4Å; H1476-S1478 PolarHBondContact O-N 3.1Å; H1476-D1479 HydrophobicContact CB-CB 4.44Å; H1476-D1479 WeakPolarHBondContact CB-OD2 3.1Å; H1476-D1479 IonicContact CD2-OD2 3.3Å; H1476-D1479 IonicContact CG-OD2 2.72Å; H1476-D1479 PolarHBondContact O-N 3.49Å; H1476-C1613 PolarHBondContact CE1-SG 3Å; H1476-H1615 AromaticContact NE2-ND1 3.95Å |
| 1477 | V | 58.1 | Low | 55 | Low | 50 Ų | 50 | 80.6 Ų | 80.6 | 30% | 0.303 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -22.9 | 178.7 | 179.9 | 0 | 0 | 0 | 0 | 111.8 | D1479 S1618 I1620 | V1477-D1479 VanDerWaalsContact C-N 3.35Å; V1477-S1618 WeakPolarHBondContact CG2-O 3.12Å; V1477-S1618 PolarHBondContact N-O 3.01Å; V1477-S1618 VanDerWaalsContact N-O 3.14Å; V1477-I1620 HydrophobicContact CG2-CG2 3.98Å |
| 1478 | S | 55.4 | Low | 56.5 | Low | 72 Ų | 72 | 73.7 Ų | 73.7 | 50% | 0.503 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -27.2 | 177.1 | 47.6 | 0 | 0 | 0 | 0 | 114.2 | H1476 H1480 M1617 | H1476-S1478 PolarHBondContact O-N 3.1Å; S1478-H1480 PolarHBondContact O-N 3.07Å; S1478-M1617 WeakPolarHBondContact OG-CE 3.33Å |
| 1479 | D | 51.9 | Low | 58.3 | Low | 99 Ų | 99 | 69.3 Ų | 69.3 | 53% | 0.529 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -91.9 | -3.4 | -160.8 | -62.3 | -5.8 | 0 | 0 | 0 | 113.1 | H1476 V1477 | H1476-D1479 HydrophobicContact CB-CB 4.44Å; H1476-D1479 WeakPolarHBondContact CB-OD2 3.1Å; H1476-D1479 IonicContact CD2-OD2 3.3Å; H1476-D1479 IonicContact CG-OD2 2.72Å; H1476-D1479 PolarHBondContact O-N 3.49Å; V1477-D1479 VanDerWaalsContact C-N 3.35Å |
| 1480 | H | 50.1 | Low | 60.2 | Low | 110 Ų | 110 | 60.3 Ų | 60.3 | 51% | 0.509 | 33% | 0.325 | S | S | . | . | trans | -137.8 | 156.6 | -171.5 | -85.7 | -32.1 | 0 | 0 | 0 | 118.5 | S1478 Y1484 | S1478-H1480 PolarHBondContact O-N 3.07Å; H1480-Y1484 HydrophobicContact CB-CD2 4.33Å; H1480-Y1484 HydrophobicContact CB-CE2 4.34Å | ||
| 1481 | K | 47.6 | Very low | 62.2 | Low | 189 Ų | 189 | 55.2 Ų | 55.2 | 82% | 0.822 | 30% | 0.301 | S | S | * | . | trans | -76.2 | 168.5 | -176.9 | -63.5 | 175.8 | 176.5 | 179.6 | 0 | 111.8 | G1483 | K1481-G1483 PolarHBondContact O-N 3.48Š| ||
| 1482 | Q | 52.5 | Low | 64.2 | Low | 204 Ų | 204 | 50.4 Ų | 50.4 | 95% | 0.953 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -33.5 | 131 | 178.2 | -77.5 | 170.9 | -24.3 | 0 | 0 | 114.1 | ||
| 1483 | G | 55.4 | Low | 65.7 | Low | 46 Ų | 46 | 48.7 Ų | 48.7 | 47% | 0.474 | 26% | 0.259 | S | S | . | . | S | Bend | trans | 131.2 | -8.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | K1481 W1670 | K1481-G1483 PolarHBondContact O-N 3.48Å; G1483-W1670 WeakPolarHBondContact O-CZ2 3.34Å |
| 1484 | Y | 65.1 | Low | 67 | Low | 89 Ų | 89 | 48.7 Ų | 48.7 | 35% | 0.349 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -107.4 | 156.2 | 179.8 | -69.7 | -81.1 | 0 | 0 | 0 | 112.8 | H1480 V1486 F1608 I1620 | H1480-Y1484 HydrophobicContact CB-CD2 4.33Å; H1480-Y1484 HydrophobicContact CB-CE2 4.34Å; Y1484-V1486 PolarHBondContact O-N 3.19Å; Y1484-F1608 AromaticContact CD1-CE1 3.98Å; Y1484-F1608 HydrophobicContact CD1-CE1 3.98Å; Y1484-F1608 HydrophobicContact CD1-CZ 4.07Å; Y1484-F1608 AromaticContact CE1-CE1 3.96Å; Y1484-F1608 HydrophobicContact CE1-CE1 3.96Å; Y1484-F1608 HydrophobicContact CE1-CZ 4.07Å; Y1484-I1620 HydrophobicContact CD1-CD1 3.48Å; Y1484-I1620 VanDerWaalsContact CD1-CD1 3.48Å; Y1484-I1620 HydrophobicContact CE1-CD1 4.36Å; Y1484-I1620 HydrophobicContact CG-CD1 3.9Å |
| 1485 | P | 59.9 | Low | 67.7 | Low | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.006 | 28% | 0.275 | C | S | . | . | trans | -70.7 | 130.7 | 176.5 | 23.3 | -23 | 0 | 0 | 0 | 110.5 | S1487 F1592 F1608 T1610 I1620 V1663 W1670 | P1485-S1487 PolarHBondContact O-N 2.78Å; P1485-F1592 HydrophobicContact CB-CE1 3.91Å; P1485-F1592 HydrophobicContact CB-CZ 4.41Å; P1485-F1608 HydrophobicContact CG-CB 4.14Å; P1485-F1608 HydrophobicContact CG-CD2 4.22Å; P1485-F1608 HydrophobicContact CG-CG 4.2Å; P1485-T1610 HydrophobicContact CB-CG2 4.49Å; P1485-T1610 HydrophobicContact CG-CG2 4.33Å; P1485-I1620 HydrophobicContact CG-CG2 4.26Å; P1485-V1663 HydrophobicContact CB-CG2 4.13Å; P1485-V1663 HydrophobicContact CG-CG2 4Å; P1485-W1670 HydrophobicContact CB-CD2 3.64Å; P1485-W1670 HydrophobicContact CB-CE3 3.96Å; P1485-W1670 HydrophobicContact CB-CG 3.95Å; P1485-W1670 HydrophobicContact CB-CZ2 4.26Å; P1485-W1670 HydrophobicContact CB-CZ3 4.39Å; P1485-W1670 VanDerWaalsContact CD-CZ2 3.45Å; P1485-W1670 HydrophobicContact CG-CD2 4.18Å; P1485-W1670 HydrophobicContact CG-CE3 4.09Å; P1485-W1670 HydrophobicContact CG-CH2 4.08Å; P1485-W1670 HydrophobicContact CG-CZ2 4.16Å; P1485-W1670 HydrophobicContact CG-CZ3 4.04Å | ||
| 1486 | V | 66.1 | Low | 68.2 | Low | 68 Ų | 68 | 54.7 Ų | 54.7 | 41% | 0.412 | 30% | 0.299 | S | S | . | . | trans | -65.2 | 133.9 | 166.2 | -174.6 | 0 | 0 | 0 | 0 | 107.4 | Y1484 P1488 F1590 F1592 | Y1484-V1486 PolarHBondContact O-N 3.19Å; V1486-P1488 WeakPolarHBondContact O-CD 3.44Å; V1486-F1590 HydrophobicContact CB-CD2 4.49Å; V1486-F1590 HydrophobicContact CG1-CD2 3.52Å; V1486-F1590 HydrophobicContact CG1-CE2 3.45Å; V1486-F1590 VanDerWaalsContact CG1-CE2 3.45Å; V1486-F1590 HydrophobicContact CG1-CZ 4.46Å; V1486-F1592 WeakPolarHBondContact O-CE1 3.26Å; V1486-F1592 VanDerWaalsContact O-CZ 3.31Å; V1486-F1592 WeakPolarHBondContact O-CZ 3.33Å | ||
| 1487 | S | 66.8 | Low | 68.5 | Low | 8 Ų | 8 | 57.5 Ų | 57.5 | 6% | 0.056 | 31% | 0.312 | C | S | . | . | trans | -95.1 | 105.3 | -177.6 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | P1485 S1489 G1611 S1618 | P1485-S1487 PolarHBondContact O-N 2.78Å; S1487-S1489 VanDerWaalsContact C-N 3.26Å; S1487-S1489 PolarHBondContact O-N 3.44Å; S1487-S1489 PolarHBondContact OG-OG 3.11Å; S1487-G1611 PolarHBondContact OG-O 2.97Å; S1487-S1618 WeakPolarHBondContact CB-OG 3.46Å; S1487-S1618 PolarHBondContact O-OG 3.33Å; S1487-S1618 PolarHBondContact OG-OG 3.05Å | ||
| 1488 | P | 72.5 | Confident | 69.1 | Low | 4 Ų | 4 | 66.5 Ų | 66.5 | 3% | 0.026 | 34% | 0.341 | C | S | . | . | trans | -92.5 | 38.7 | 176.3 | 42.2 | -39.7 | 0 | 0 | 0 | 111.4 | V1486 F1508 F1590 F1592 | V1486-P1488 WeakPolarHBondContact O-CD 3.44Å; P1488-F1508 HydrophobicContact CB-CB 4.25Å; P1488-F1508 HydrophobicContact CB-CD2 4.43Å; P1488-F1508 WeakPolarHBondContact O-CD2 3.48Å; P1488-F1508 PolarHBondContact O-N 3.37Å; P1488-F1590 HydrophobicContact CB-CD1 3.82Å; P1488-F1590 HydrophobicContact CB-CE1 3.37Å; P1488-F1590 HydrophobicContact CB-CZ 3.95Å; P1488-F1592 VanDerWaalsContact CD-CE2 3.42Å; P1488-F1592 VanDerWaalsContact CD-CZ 3.41Å; P1488-F1592 HydrophobicContact CG-CD2 4.13Å; P1488-F1592 HydrophobicContact CG-CE2 3.73Å; P1488-F1592 HydrophobicContact CG-CZ 4.11Å | ||
| 1489 | S | 79.1 | Confident | 69.8 | Low | 15 Ų | 15 | 68.3 Ų | 68.3 | 11% | 0.105 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 145.5 | -173.2 | -63.2 | 0 | 0 | 0 | 0 | 112.6 | S1487 G1506 T1610 | S1487-S1489 VanDerWaalsContact C-N 3.26Å; S1487-S1489 PolarHBondContact O-N 3.44Å; S1487-S1489 PolarHBondContact OG-OG 3.11Å; S1489-G1506 CarbonylContact C-O 3.59Å; S1489-G1506 WeakPolarHBondContact CA-O 3Å; S1489-T1610 PolarHBondContact OG-O 3.43Å |
| 1490 | V | 82.9 | Confident | 70.8 | Confident | 2 Ų | 2 | 66.2 Ų | 66.2 | 1% | 0.012 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 158.6 | -179.7 | -66.7 | 0 | 0 | 0 | 0 | 110.9 | T1505 G1506 F1508 V1520 V1537 | V1490-T1505 WeakPolarHBondContact O-CA 3.46Å; V1490-G1506 WeakPolarHBondContact CG2-O 3.21Å; V1490-G1506 PolarHBondContact N-O 3.12Å; V1490-G1506 PolarHBondContact O-N 2.89Å; V1490-F1508 HydrophobicContact CG1-CD2 3.9Å; V1490-F1508 HydrophobicContact CG1-CE1 4.48Å; V1490-F1508 HydrophobicContact CG1-CE2 3.26Å; V1490-F1508 HydrophobicContact CG1-CZ 3.61Å; V1490-V1520 HydrophobicContact CG2-CG1 3.72Å; V1490-V1520 HydrophobicContact CG2-CG2 4.28Å; V1490-V1537 HydrophobicContact CB-CG1 3.79Å; V1490-V1537 HydrophobicContact CG1-CG1 4.25Å; V1490-V1537 HydrophobicContact CG2-CG1 3.67Å |
| 1491 | H | 86.4 | Confident | 72.1 | Confident | 4 Ų | 4 | 65.5 Ų | 65.5 | 2% | 0.019 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 137.2 | 174.9 | -67.3 | -56.5 | 0 | 0 | 0 | 111.2 | V1493 I1502 V1537 Y1538 G1540 | H1491-V1493 HydrophobicContact CB-CG2 4.49Å; H1491-I1502 HydrophobicContact CB-CD1 4.42Å; H1491-I1502 HydrophobicContact CB-CG1 4.29Å; H1491-I1502 HydrophobicContact CB-CG2 4.02Å; H1491-V1537 CarbonylContact O-C 3.54Å; H1491-V1537 WeakPolarHBondContact O-CA 3.35Å; H1491-Y1538 HydrophobicContact CB-CD1 4.19Å; H1491-Y1538 PolarHBondContact N-O 3.33Å; H1491-Y1538 PolarHBondContact O-N 3.45Å; H1491-G1540 PolarHBondContact CD2-O 2.86Å; H1491-G1540 VanDerWaalsContact CD2-O 3.32Å |
| 1492 | I | 88.3 | Confident | 73.6 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 118.6 | 169.4 | -61.7 | 163.8 | 0 | 0 | 0 | 107.2 | T1503 C1504 T1522 V1527 Y1535 I1578 | I1492-T1503 PolarHBondContact O-N 2.84Å; I1492-C1504 HydrophobicContact CB-CB 4.37Å; I1492-C1504 HydrophobicContact CD1-CB 4.38Å; I1492-C1504 PolarHBondContact N-O 3.24Å; I1492-C1504 PolarHBondContact O-N 2.84Å; I1492-T1522 VanDerWaalsContact CD1-CB 3.47Å; I1492-T1522 HydrophobicContact CD1-CG2 3.54Å; I1492-T1522 WeakPolarHBondContact CD1-OG1 3.29Å; I1492-V1527 HydrophobicContact CG2-CG1 3.89Å; I1492-Y1535 HydrophobicContact CG2-CD1 4.05Å; I1492-I1578 HydrophobicContact CD1-CD1 3.66Å; I1492-I1578 HydrophobicContact CG1-CD1 3.98Å |
| 1493 | V | 86.8 | Confident | 74.9 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 131.1 | -174.1 | 178.7 | 0 | 0 | 0 | 0 | 109.4 | H1491 P1500 K1501 I1502 Y1535 V1536 Y1538 L1545 W1552 | H1491-V1493 HydrophobicContact CB-CG2 4.49Å; V1493-P1500 HydrophobicContact CG1-CB 3.58Å; V1493-K1501 WeakPolarHBondContact CA-O 3.37Å; V1493-I1502 HydrophobicContact CG2-CG1 4.2Å; V1493-Y1535 WeakPolarHBondContact O-CA 3.43Å; V1493-V1536 HydrophobicContact CB-CG1 3.91Å; V1493-V1536 HydrophobicContact CG1-CG1 4.35Å; V1493-V1536 PolarHBondContact N-O 3.22Å; V1493-V1536 PolarHBondContact O-N 3.4Å; V1493-Y1538 HydrophobicContact CG2-CG 4.37Å; V1493-L1545 HydrophobicContact CG2-CD1 4.41Å; V1493-L1545 HydrophobicContact CG2-CD2 4.37Å; V1493-W1552 HydrophobicContact CG1-CZ3 4.22Å |
| 1494 | S | 85.1 | Confident | 76.4 | Confident | 11 Ų | 11 | 46.7 Ų | 46.7 | 8% | 0.077 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 125.8 | 170.6 | 176.6 | 0 | 0 | 0 | 0 | 110 | A1496 K1501 T1503 N1534 | S1494-A1496 PolarHBondContact OG-N 3.09Å; S1494-K1501 PolarHBondContact N-O 3.1Å; S1494-K1501 PolarHBondContact O-N 2.98Å; S1494-T1503 VanDerWaalsContact CB-OG1 3.25Å; S1494-T1503 WeakPolarHBondContact CB-OG1 3.47Å; S1494-T1503 PolarHBondContact N-OG1 3.41Å; S1494-N1534 CarbonylContact C-O 3.6Å; S1494-N1534 WeakPolarHBondContact CA-O 3.4Å |
| 1495 | L | 81.4 | Confident | 77.4 | Confident | 74 Ų | 74 | 42.5 Ų | 42.5 | 39% | 0.387 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -89.7 | -7.5 | 172.5 | -63.8 | 176.5 | 0 | 0 | 0 | 112.6 | E1497 N1534 V1536 W1552 | L1495-E1497 VanDerWaalsContact C-N 3.31Å; L1495-N1534 PolarHBondContact N-O 2.87Å; L1495-V1536 HydrophobicContact CD1-CB 4.2Å; L1495-V1536 HydrophobicContact CD1-CG1 4.2Å; L1495-V1536 HydrophobicContact CD2-CG1 3.86Å; L1495-V1536 HydrophobicContact CG-CB 4.47Å; L1495-V1536 HydrophobicContact CG-CG1 3.98Å; L1495-W1552 HydrophobicContact CD2-CZ3 4.29Å |
| 1496 | A | 75.6 | Confident | 78.7 | Confident | 71 Ų | 71 | 42.5 Ų | 42.5 | 59% | 0.587 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -73.4 | -26.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S1494 | S1494-A1496 PolarHBondContact OG-N 3.09Š|
| 1497 | E | 72.1 | Confident | 79.7 | Confident | 90 Ų | 90 | 39.2 Ų | 39.2 | 42% | 0.421 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -92.7 | 142.7 | 175.6 | -65.1 | 177.7 | -143.8 | 0 | 0 | 110.4 | L1495 P1499 K1501 | L1495-E1497 VanDerWaalsContact C-N 3.31Å; E1497-P1499 CarbonylContact C-O 3.58Å; E1497-P1499 CarbonylContact O-C 3.54Å; E1497-K1501 WeakPolarHBondContact OE2-CD 3.39Å; E1497-K1501 IonicContact OE2-NZ 3.02Å |
| 1498 | R | 70.2 | Confident | 80.4 | Confident | 240 Ų | 240 | 38.9 Ų | 38.9 | 91% | 0.906 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -124.2 | 117.3 | 175.7 | -69 | -174.7 | -178.1 | 178.3 | 0.7 | 109.3 | ||
| 1499 | P | 70.7 | Confident | 80.6 | Confident | 110 Ų | 110 | 40.4 Ų | 40.4 | 71% | 0.714 | 21% | 0.21 | S | C | * | . | S | Bend | cis | -70.4 | 160.4 | 1.4 | 30.4 | -35.1 | 0 | 0 | 0 | 113.4 | E1497 K1501 | E1497-P1499 CarbonylContact C-O 3.58Å; E1497-P1499 CarbonylContact O-C 3.54Å; P1499-K1501 PolarHBondContact O-N 2.89Å |
| 1500 | P | 71.8 | Confident | 80 | Confident | 55 Ų | 55 | 40.1 Ų | 40.1 | 36% | 0.357 | 21% | 0.208 | S | C | . | . | trans | -55.6 | 132.9 | 178.9 | -21.9 | 31.5 | 0 | 0 | 0 | 111.7 | V1493 W1552 | V1493-P1500 HydrophobicContact CG1-CB 3.58Å; P1500-W1552 HydrophobicContact CB-CH2 4.19Å; P1500-W1552 HydrophobicContact CG-CH2 4.32Å | ||
| 1501 | K | 77.6 | Confident | 79.1 | Confident | 95 Ų | 95 | 41.8 Ų | 41.8 | 41% | 0.413 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 136.4 | -174.9 | -169.1 | -178.4 | -176.6 | 178.5 | 0 | 111 | V1493 S1494 E1497 P1499 T1503 | V1493-K1501 WeakPolarHBondContact CA-O 3.37Å; S1494-K1501 PolarHBondContact N-O 3.1Å; S1494-K1501 PolarHBondContact O-N 2.98Å; E1497-K1501 WeakPolarHBondContact OE2-CD 3.39Å; E1497-K1501 IonicContact OE2-NZ 3.02Å; P1499-K1501 PolarHBondContact O-N 2.89Å; K1501-T1503 PolarHBondContact O-N 2.82Å; K1501-T1503 VanDerWaalsContact O-N 3.11Å |
| 1502 | I | 79.4 | Confident | 77.7 | Confident | 11 Ų | 11 | 45.6 Ų | 45.6 | 6% | 0.056 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 111.9 | 171.2 | -60.9 | 172.1 | 0 | 0 | 0 | 107.9 | H1491 V1493 K1542 L1545 R1656 | H1491-I1502 HydrophobicContact CB-CD1 4.42Å; H1491-I1502 HydrophobicContact CB-CG1 4.29Å; H1491-I1502 HydrophobicContact CB-CG2 4.02Å; V1493-I1502 HydrophobicContact CG2-CG1 4.2Å; I1502-K1542 HydrophobicContact CD1-CB 3.9Å; I1502-K1542 HydrophobicContact CD1-CG 3.94Å; I1502-L1545 HydrophobicContact CD1-CD2 4.15Å; I1502-L1545 HydrophobicContact CG1-CD2 3.71Å; I1502-R1656 PolarHBondContact O-NH1 2.7Å |
| 1503 | T | 80 | Confident | 76.2 | Confident | 32 Ų | 32 | 52.5 Ų | 52.5 | 20% | 0.196 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | -54.1 | 178.4 | -50.7 | 0 | 0 | 0 | 0 | 109.5 | I1492 S1494 K1501 R1656 | I1492-T1503 PolarHBondContact O-N 2.84Å; S1494-T1503 VanDerWaalsContact CB-OG1 3.25Å; S1494-T1503 WeakPolarHBondContact CB-OG1 3.47Å; S1494-T1503 PolarHBondContact N-OG1 3.41Å; K1501-T1503 PolarHBondContact O-N 2.82Å; K1501-T1503 VanDerWaalsContact O-N 3.11Å; T1503-R1656 WeakPolarHBondContact O-CD 3.49Å; T1503-R1656 PolarHBondContact O-NH1 3.45Å |
| 1504 | C | 87.5 | Confident | 74.9 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 177.1 | -169.7 | -67.6 | 0 | 0 | 0 | 0 | 113.1 | I1492 C1526 E1658 | I1492-C1504 HydrophobicContact CB-CB 4.37Å; I1492-C1504 HydrophobicContact CD1-CB 4.38Å; I1492-C1504 PolarHBondContact N-O 3.24Å; I1492-C1504 PolarHBondContact O-N 2.84Å; C1504-C1526 HydrophobicContact CB-CB 3.59Å; C1504-C1526 WeakPolarHBondContact CB-SG 3.38Å; C1504-C1526 WeakPolarHBondContact SG-CA 3.32Å; C1504-C1526 WeakPolarHBondContact SG-CB 3.49Å; C1504-C1526 CovalentContact SG-SG 2.03Å; C1504-C1526 PolarHBondContact SG-SG 3.45Å; C1504-E1658 WeakPolarHBondContact CB-O 3.25Å |
| 1505 | T | 86.6 | Confident | 73.9 | Confident | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.012 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 152.5 | 170 | -56.8 | 0 | 0 | 0 | 0 | 110.7 | V1490 T1522 R1656 E1658 G1659 A1660 | V1490-T1505 WeakPolarHBondContact O-CA 3.46Å; T1505-T1522 PolarHBondContact O-OG1 3.26Å; T1505-R1656 PolarHBondContact OG1-O 3.14Å; T1505-E1658 PolarHBondContact N-O 2.91Å; T1505-G1659 CarbonylContact O-C 3.55Å; T1505-G1659 WeakPolarHBondContact O-CA 3.12Å; T1505-A1660 HydrophobicContact CG2-CB 4.44Å |
| 1506 | G | 87.1 | Confident | 73.2 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 165.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111 | S1489 V1490 I1521 | S1489-G1506 CarbonylContact C-O 3.59Å; S1489-G1506 WeakPolarHBondContact CA-O 3Å; V1490-G1506 WeakPolarHBondContact CG2-O 3.21Å; V1490-G1506 PolarHBondContact N-O 3.12Å; V1490-G1506 PolarHBondContact O-N 2.89Å; G1506-I1521 CarbonylContact C-O 3.56Å; G1506-I1521 VanDerWaalsContact CA-O 3.24Å; G1506-I1521 WeakPolarHBondContact CA-O 3.48Å |
| 1507 | S | 85.9 | Confident | 73 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 144.4 | 177.8 | 59.1 | 0 | 0 | 0 | 0 | 111.1 | V1520 I1521 Q1672 | S1507-V1520 CarbonylContact O-C 3.59Å; S1507-V1520 VanDerWaalsContact O-CA 3.3Å; S1507-V1520 WeakPolarHBondContact O-CA 3.33Å; S1507-I1521 PolarHBondContact N-O 2.67Å; S1507-I1521 PolarHBondContact O-N 2.7Å; S1507-Q1672 PolarHBondContact OG-NE2 3.43Å; S1507-Q1672 PolarHBondContact OG-OE1 2.68Å |
| 1508 | F | 81.7 | Confident | 73.2 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 0% | 0.004 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 133 | 168.7 | -76.4 | -61.1 | 0 | 0 | 0 | 111.4 | P1488 V1490 T1517 V1520 M1539 L1553 L1580 V1584 | P1488-F1508 HydrophobicContact CB-CB 4.25Å; P1488-F1508 HydrophobicContact CB-CD2 4.43Å; P1488-F1508 WeakPolarHBondContact O-CD2 3.48Å; P1488-F1508 PolarHBondContact O-N 3.37Å; V1490-F1508 HydrophobicContact CG1-CD2 3.9Å; V1490-F1508 HydrophobicContact CG1-CE1 4.48Å; V1490-F1508 HydrophobicContact CG1-CE2 3.26Å; V1490-F1508 HydrophobicContact CG1-CZ 3.61Å; F1508-T1517 HydrophobicContact CB-CG2 4Å; F1508-T1517 HydrophobicContact CD1-CG2 3.28Å; F1508-T1517 HydrophobicContact CE1-CG2 3.92Å; F1508-T1517 HydrophobicContact CG-CG2 3.84Å; F1508-V1520 HydrophobicContact CD1-CG2 3.58Å; F1508-V1520 HydrophobicContact CE1-CG2 3.58Å; F1508-M1539 HydrophobicContact CE2-SD 4.5Å; F1508-L1553 HydrophobicContact CZ-CD1 3.9Å; F1508-L1580 HydrophobicContact CE1-CD1 3.83Å; F1508-V1584 HydrophobicContact CE1-CB 4.38Å; F1508-V1584 HydrophobicContact CE1-CG2 4.13Å; F1508-V1584 HydrophobicContact CZ-CB 4.28Å; F1508-V1584 HydrophobicContact CZ-CG1 4.23Å; F1508-V1584 HydrophobicContact CZ-CG2 4.02Å |
| 1509 | Y | 77.1 | Confident | 73.6 | Confident | 36 Ų | 36 | 38.8 Ų | 38.8 | 14% | 0.141 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 127.9 | 171 | 170.8 | -100.5 | 0 | 0 | 0 | 110.3 | D1241 T1517 T1519 I1521 L1594 | D1241-Y1509 HydrophobicContact CB-CE1 3.66Å; Y1509-T1517 WeakPolarHBondContact O-CB 3.09Å; Y1509-T1517 PolarHBondContact O-OG1 2.93Å; Y1509-T1519 HydrophobicContact CD1-CG2 4.2Å; Y1509-T1519 PolarHBondContact N-O 3.5Å; Y1509-I1521 HydrophobicContact CD2-CD1 3.99Å; Y1509-I1521 HydrophobicContact CG-CD1 3.87Å; Y1509-L1594 HydrophobicContact CD2-CD1 3.74Å; Y1509-L1594 HydrophobicContact CD2-CG 3.7Å; Y1509-L1594 HydrophobicContact CE2-CB 3.97Å; Y1509-L1594 HydrophobicContact CE2-CD1 3.43Å; Y1509-L1594 VanDerWaalsContact CE2-CD1 3.43Å; Y1509-L1594 HydrophobicContact CE2-CG 3.45Å; Y1509-L1594 VanDerWaalsContact CE2-CG 3.45Å; Y1509-L1594 HydrophobicContact CG-CD1 4.46Å |
| 1510 | A | 66.9 | Low | 74.3 | Confident | 9 Ų | 9 | 33.6 Ų | 33.6 | 7% | 0.074 | 19% | 0.188 | C | C | . | . | trans | -135.9 | 137.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | A1514 I1586 | A1510-A1514 HydrophobicContact CB-CB 4.3Å; A1510-I1586 HydrophobicContact CB-CD1 3.77Å | ||
| 1511 | A | 62.8 | Low | 74.9 | Confident | 36 Ų | 36 | 31.3 Ų | 31.3 | 30% | 0.298 | 17% | 0.172 | S | C | . | . | trans | -64.7 | 157.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | N1513 A1514 | A1511-N1513 PolarHBondContact O-N 2.83Å; A1511-A1514 HydrophobicContact CB-CB 4.4Å; A1511-A1514 WeakPolarHBondContact O-CB 3.3Å; A1511-A1514 PolarHBondContact O-N 3.31Å | ||
| 1512 | P | 57.3 | Low | 75.5 | Confident | 85 Ų | 85 | 26.8 Ų | 26.8 | 55% | 0.552 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | 127.7 | 173.5 | -22.4 | 32.2 | 0 | 0 | 0 | 110 | A1514 | P1512-A1514 VanDerWaalsContact C-N 3.32Å; P1512-A1514 PolarHBondContact O-N 3.46Å |
| 1513 | N | 57.5 | Low | 75.9 | Confident | 144 Ų | 144 | 26.2 Ų | 26.2 | 77% | 0.77 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72 | 8 | -179.6 | -46.9 | -34.6 | 0 | 0 | 0 | 116.8 | A1511 N1515 | A1511-N1513 PolarHBondContact O-N 2.83Å; N1513-N1515 PolarHBondContact O-N 2.96Å; N1513-N1515 PolarHBondContact O-OD1 3.18Å |
| 1514 | A | 59.7 | Low | 76 | Confident | 25 Ų | 25 | 24.7 Ų | 24.7 | 21% | 0.207 | 14% | 0.141 | C | C | . | . | trans | -73.7 | 125.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | A1510 A1511 P1512 F1516 | A1510-A1514 HydrophobicContact CB-CB 4.3Å; A1511-A1514 HydrophobicContact CB-CB 4.4Å; A1511-A1514 WeakPolarHBondContact O-CB 3.3Å; A1511-A1514 PolarHBondContact O-N 3.31Å; P1512-A1514 VanDerWaalsContact C-N 3.32Å; P1512-A1514 PolarHBondContact O-N 3.46Å; A1514-F1516 PolarHBondContact O-N 3.41Å | ||
| 1515 | N | 62.6 | Low | 75.7 | Confident | 76 Ų | 76 | 26 Ų | 26 | 41% | 0.406 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -84.7 | 0.4 | 177.5 | -55.2 | -11.3 | 0 | 0 | 0 | 112.5 | N1513 I1586 | N1513-N1515 PolarHBondContact O-N 2.96Å; N1513-N1515 PolarHBondContact O-OD1 3.18Å; N1515-I1586 CarbonylContact C-O 3.56Å; N1515-I1586 PolarHBondContact O-N 2.85Å |
| 1516 | F | 66.9 | Low | 75.6 | Confident | 57 Ų | 57 | 26 Ų | 26 | 25% | 0.25 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 157.9 | -177.7 | 51.1 | -99 | 0 | 0 | 0 | 110.3 | M1101 A1514 P1583 V1584 | M1101-F1516 HydrophobicContact CB-CD1 4.42Å; M1101-F1516 HydrophobicContact CB-CE1 3.85Å; M1101-F1516 HydrophobicContact CB-CE2 4.19Å; M1101-F1516 HydrophobicContact CB-CZ 3.75Å; M1101-F1516 HydrophobicContact CG-CD1 4.39Å; M1101-F1516 HydrophobicContact CG-CD2 3.92Å; M1101-F1516 HydrophobicContact CG-CE1 3.71Å; M1101-F1516 HydrophobicContact CG-CE2 3.2Å; M1101-F1516 HydrophobicContact CG-CZ 3.08Å; M1101-F1516 HydrophobicContact SD-CE2 4.24Å; A1514-F1516 PolarHBondContact O-N 3.41Å; F1516-P1583 HydrophobicContact CB-CB 4.32Å; F1516-V1584 CarbonylContact C-O 3.48Å; F1516-V1584 WeakPolarHBondContact CA-O 3.49Å |
| 1517 | T | 71.5 | Confident | 75.4 | Confident | 7 Ų | 7 | 26 Ų | 26 | 4% | 0.043 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 153.2 | 167.3 | -171.5 | 0 | 0 | 0 | 0 | 112.3 | F1508 Y1509 T1519 P1583 V1584 I1586 | F1508-T1517 HydrophobicContact CB-CG2 4Å; F1508-T1517 HydrophobicContact CD1-CG2 3.28Å; F1508-T1517 HydrophobicContact CE1-CG2 3.92Å; F1508-T1517 HydrophobicContact CG-CG2 3.84Å; Y1509-T1517 WeakPolarHBondContact O-CB 3.09Å; Y1509-T1517 PolarHBondContact O-OG1 2.93Å; T1517-T1519 PolarHBondContact OG1-N 3.46Å; T1517-T1519 PolarHBondContact OG1-O 2.73Å; T1517-P1583 CarbonylContact O-C 3.6Å; T1517-P1583 VanDerWaalsContact O-CA 3.3Å; T1517-P1583 WeakPolarHBondContact O-CA 3.41Å; T1517-V1584 PolarHBondContact N-O 3.47Å; T1517-V1584 PolarHBondContact O-N 3.27Å; T1517-I1586 VanDerWaalsContact CB-CD1 3.48Å; T1517-I1586 HydrophobicContact CG2-CD1 3.3Å; T1517-I1586 HydrophobicContact CG2-CG1 4.16Å |
| 1518 | R | 77 | Confident | 74.8 | Confident | 21 Ų | 21 | 29.7 Ų | 29.7 | 8% | 0.079 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 0.5 | 163.2 | -68.9 | -179.1 | 177.2 | -179.3 | -4.2 | 112.3 | M1101 D1260 K1579 L1580 P1583 | M1101-R1518 VanDerWaalsContact CE-CZ 3.48Å; D1260-R1518 IonicContact OD1-NH1 2.94Å; D1260-R1518 PolarHBondContact OD1-NH1 3.12Å; R1518-K1579 CarbonylContact O-C 3.57Å; R1518-K1579 VanDerWaalsContact O-CA 3.29Å; R1518-K1579 WeakPolarHBondContact O-CA 3.29Å; R1518-L1580 PolarHBondContact O-N 3Å; R1518-P1583 HydrophobicContact CG-CB 3.68Å; R1518-P1583 HydrophobicContact CG-CG 4.43Å |
| 1519 | T | 77.5 | Confident | 74.2 | Confident | 13 Ų | 13 | 32.1 Ų | 32.1 | 8% | 0.08 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 124.6 | -167.4 | -48 | 0 | 0 | 0 | 0 | 110.3 | Y1509 T1517 V1577 I1578 K1579 | Y1509-T1519 HydrophobicContact CD1-CG2 4.2Å; Y1509-T1519 PolarHBondContact N-O 3.5Å; T1517-T1519 PolarHBondContact OG1-N 3.46Å; T1517-T1519 PolarHBondContact OG1-O 2.73Å; T1519-V1577 HydrophobicContact CG2-CG1 3.77Å; T1519-I1578 WeakPolarHBondContact CA-O 3.29Å; T1519-K1579 HydrophobicContact CG2-CD 4.29Å; T1519-K1579 PolarHBondContact OG1-NZ 2.84Å |
| 1520 | V | 85.5 | Confident | 73.7 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 131.7 | 171.1 | 175.7 | 0 | 0 | 0 | 0 | 108.2 | V1490 S1507 F1508 V1537 I1578 L1580 | V1490-V1520 HydrophobicContact CG2-CG1 3.72Å; V1490-V1520 HydrophobicContact CG2-CG2 4.28Å; S1507-V1520 CarbonylContact O-C 3.59Å; S1507-V1520 VanDerWaalsContact O-CA 3.3Å; S1507-V1520 WeakPolarHBondContact O-CA 3.33Å; F1508-V1520 HydrophobicContact CD1-CG2 3.58Å; F1508-V1520 HydrophobicContact CE1-CG2 3.58Å; V1520-V1537 HydrophobicContact CG2-CG1 4.44Å; V1520-I1578 HydrophobicContact CB-CB 4.15Å; V1520-I1578 PolarHBondContact N-O 3.39Å; V1520-I1578 PolarHBondContact O-N 3.27Å; V1520-L1580 HydrophobicContact CG2-CD1 4.31Å; V1520-L1580 HydrophobicContact CG2-CG 4.45Å |
| 1521 | I | 85.7 | Confident | 74.2 | Confident | 7 Ų | 7 | 37.3 Ų | 37.3 | 4% | 0.036 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 136.3 | 177.1 | -60.1 | -178.5 | 0 | 0 | 0 | 108.6 | G1506 S1507 Y1509 V1575 L1594 I1675 | G1506-I1521 CarbonylContact C-O 3.56Å; G1506-I1521 VanDerWaalsContact CA-O 3.24Å; G1506-I1521 WeakPolarHBondContact CA-O 3.48Å; S1507-I1521 PolarHBondContact N-O 2.67Å; S1507-I1521 PolarHBondContact O-N 2.7Å; Y1509-I1521 HydrophobicContact CD2-CD1 3.99Å; Y1509-I1521 HydrophobicContact CG-CD1 3.87Å; I1521-V1575 HydrophobicContact CG2-CG1 4.13Å; I1521-L1594 HydrophobicContact CD1-CD1 3.87Å; I1521-L1594 HydrophobicContact CD1-CD2 3.94Å; I1521-L1594 HydrophobicContact CD1-CG 4.18Å; I1521-I1675 HydrophobicContact CG2-CD1 3.54Å; I1521-I1675 HydrophobicContact CG2-CG1 4.28Å |
| 1522 | T | 89.1 | Confident | 74.7 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | -176 | 179.6 | -172 | 0 | 0 | 0 | 0 | 109.9 | I1492 T1505 V1527 G1576 I1578 I1675 | I1492-T1522 VanDerWaalsContact CD1-CB 3.47Å; I1492-T1522 HydrophobicContact CD1-CG2 3.54Å; I1492-T1522 WeakPolarHBondContact CD1-OG1 3.29Å; T1505-T1522 PolarHBondContact O-OG1 3.26Å; T1522-V1527 HydrophobicContact CG2-CG2 4.04Å; T1522-G1576 PolarHBondContact N-O 3.04Å; T1522-G1576 WeakPolarHBondContact O-CA 3.36Å; T1522-G1576 PolarHBondContact O-N 3.36Å; T1522-G1576 VanDerWaalsContact O-O 3.09Å; T1522-I1578 HydrophobicContact CG2-CD1 3.88Å; T1522-I1578 HydrophobicContact CG2-CG1 4.25Å; T1522-I1675 WeakPolarHBondContact O-CD1 3.39Å |
| 1523 | S | 88 | Confident | 75.7 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 147.1 | 172.8 | -176.6 | 0 | 0 | 0 | 0 | 112.3 | S1525 C1526 E1677 | S1523-S1525 PolarHBondContact O-N 3.39Å; S1523-S1525 PolarHBondContact OG-N 3.38Å; S1523-S1525 PolarHBondContact OG-OG 2.98Å; S1523-C1526 WeakPolarHBondContact O-CB 3.44Å; S1523-C1526 PolarHBondContact O-N 3.12Å; S1523-E1677 WeakPolarHBondContact CB-OE2 3.43Å; S1523-E1677 PolarHBondContact OG-OE2 3.15Å |
| 1524 | A | 82.3 | Confident | 76.9 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -28.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | C1526 W1528 T1560 G1574 | A1524-C1526 VanDerWaalsContact C-N 3.29Å; A1524-C1526 PolarHBondContact O-N 2.8Å; A1524-W1528 WeakPolarHBondContact O-CA 3.39Å; A1524-W1528 PolarHBondContact O-N 3.02Å; A1524-T1560 HydrophobicContact CB-CG2 4.18Å; A1524-G1574 VanDerWaalsContact CB-O 3.29Å; A1524-G1574 WeakPolarHBondContact CB-O 3.18Å; A1524-G1574 PolarHBondContact N-O 2.68Å |
| 1525 | S | 81.9 | Confident | 78.3 | Confident | 26 Ų | 26 | 34.5 Ų | 34.5 | 18% | 0.182 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -34.4 | 177.3 | 54.6 | 0 | 0 | 0 | 0 | 111.5 | S1523 M1572 E1677 | S1523-S1525 PolarHBondContact O-N 3.39Å; S1523-S1525 PolarHBondContact OG-N 3.38Å; S1523-S1525 PolarHBondContact OG-OG 2.98Å; S1525-M1572 PolarHBondContact N-O 2.89Å; S1525-E1677 WeakPolarHBondContact CB-OE1 3.19Å; S1525-E1677 PolarHBondContact OG-OE1 3.28Å |
| 1526 | C | 84.6 | Confident | 79.4 | Confident | 4 Ų | 4 | 31.4 Ų | 31.4 | 3% | 0.027 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -42 | 178 | -73.3 | 0 | 0 | 0 | 0 | 114.8 | C1504 S1523 A1524 Y1535 | C1504-C1526 HydrophobicContact CB-CB 3.59Å; C1504-C1526 WeakPolarHBondContact CB-SG 3.38Å; C1504-C1526 WeakPolarHBondContact SG-CA 3.32Å; C1504-C1526 WeakPolarHBondContact SG-CB 3.49Å; C1504-C1526 CovalentContact SG-SG 2.03Å; C1504-C1526 PolarHBondContact SG-SG 3.45Å; S1523-C1526 WeakPolarHBondContact O-CB 3.44Å; S1523-C1526 PolarHBondContact O-N 3.12Å; A1524-C1526 VanDerWaalsContact C-N 3.29Å; A1524-C1526 PolarHBondContact O-N 2.8Å; C1526-Y1535 WeakPolarHBondContact O-CE1 3.38Å; C1526-Y1535 PolarHBondContact O-OH 3.01Å |
| 1527 | V | 81.3 | Confident | 80.4 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.1 | 34.1 | -174.7 | -69.8 | 0 | 0 | 0 | 0 | 112.3 | I1492 T1522 S1529 R1530 Y1535 I1558 T1560 I1578 | I1492-V1527 HydrophobicContact CG2-CG1 3.89Å; T1522-V1527 HydrophobicContact CG2-CG2 4.04Å; V1527-S1529 VanDerWaalsContact C-N 3.3Å; V1527-S1529 PolarHBondContact O-N 3.08Å; V1527-R1530 PolarHBondContact O-N 3.21Å; V1527-Y1535 HydrophobicContact CB-CE2 4.26Å; V1527-Y1535 HydrophobicContact CG1-CD1 4.18Å; V1527-Y1535 HydrophobicContact CG1-CD2 4.32Å; V1527-Y1535 HydrophobicContact CG1-CE1 4.24Å; V1527-Y1535 HydrophobicContact CG1-CE2 4.33Å; V1527-Y1535 HydrophobicContact CG1-CG 4.22Å; V1527-I1558 HydrophobicContact CB-CD1 4.38Å; V1527-I1558 HydrophobicContact CB-CG2 3.67Å; V1527-I1558 HydrophobicContact CG1-CD1 4.5Å; V1527-I1558 HydrophobicContact CG2-CG2 3.59Å; V1527-T1560 HydrophobicContact CG2-CG2 3.83Å; V1527-I1578 HydrophobicContact CG1-CD1 3.84Å; V1527-I1578 HydrophobicContact CG1-CG1 4.43Å; V1527-I1578 HydrophobicContact CG2-CG1 4.42Å |
| 1528 | W | 73.2 | Confident | 81 | Confident | 77 Ų | 77 | 28.4 Ų | 28.4 | 29% | 0.292 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -34.9 | -172.3 | -177.8 | -111.9 | 0 | 0 | 0 | 114.4 | A1524 R1530 P1562 K1571 M1572 | A1524-W1528 WeakPolarHBondContact O-CA 3.39Å; A1524-W1528 PolarHBondContact O-N 3.02Å; W1528-R1530 PolarHBondContact O-N 3.14Å; W1528-R1530 VanDerWaalsContact O-N 3.11Å; W1528-P1562 HydrophobicContact CH2-CB 4.32Å; W1528-P1562 HydrophobicContact CH2-CG 4.39Å; W1528-P1562 HydrophobicContact CZ3-CB 4.13Å; W1528-P1562 HydrophobicContact CZ3-CG 4.36Å; W1528-K1571 HydrophobicContact CH2-CG 4.09Å; W1528-K1571 VanDerWaalsContact CH2-O 3.3Å; W1528-K1571 WeakPolarHBondContact CH2-O 3.44Å; W1528-K1571 HydrophobicContact CZ2-CD 4.36Å; W1528-K1571 HydrophobicContact CZ2-CG 4.24Å; W1528-K1571 WeakPolarHBondContact CZ3-O 3.33Å; W1528-M1572 HydrophobicContact CB-CE 4.03Å; W1528-M1572 HydrophobicContact CB-SD 4.07Å; W1528-M1572 HydrophobicContact CD2-SD 3.52Å; W1528-M1572 VanDerWaalsContact CD2-SD 3.52Å; W1528-M1572 HydrophobicContact CE3-SD 4.19Å; W1528-M1572 HydrophobicContact CG-CE 4Å; W1528-M1572 HydrophobicContact CG-SD 3.41Å; W1528-M1572 HydrophobicContact CZ2-SD 4.43Å |
| 1529 | S | 68.8 | Low | 80.9 | Confident | 51 Ų | 51 | 31 Ų | 31 | 36% | 0.357 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -24.3 | -179.8 | 77.5 | 0 | 0 | 0 | 0 | 112.1 | V1527 V1531 Y1535 | V1527-S1529 VanDerWaalsContact C-N 3.3Å; V1527-S1529 PolarHBondContact O-N 3.08Å; S1529-V1531 WeakPolarHBondContact O-CG2 3.39Å; S1529-V1531 PolarHBondContact O-N 3.38Å; S1529-V1531 PolarHBondContact OG-N 3.46Å; S1529-Y1535 WeakPolarHBondContact OG-CE2 3.38Å; S1529-Y1535 PolarHBondContact OG-OH 2.99Å |
| 1530 | R | 67.9 | Low | 80.5 | Confident | 93 Ų | 93 | 32 Ų | 32 | 35% | 0.351 | 18% | 0.177 | S | C | . | . | trans | 54.5 | 5.7 | -172.9 | -58.6 | 173.7 | -175.9 | 177.2 | 1.4 | 114.2 | V1527 W1528 V1532 I1558 T1560 | V1527-R1530 PolarHBondContact O-N 3.21Å; W1528-R1530 PolarHBondContact O-N 3.14Å; W1528-R1530 VanDerWaalsContact O-N 3.11Å; R1530-V1532 PolarHBondContact O-N 3.2Å; R1530-V1532 VanDerWaalsContact O-N 3.09Å; R1530-I1558 HydrophobicContact CB-CG2 4.46Å; R1530-I1558 HydrophobicContact CG-CG2 4.34Å; R1530-T1560 HydrophobicContact CG-CG2 4.23Å; R1530-T1560 PolarHBondContact NE-OG1 3.31Å; R1530-T1560 PolarHBondContact NH2-O 2.92Å; R1530-T1560 PolarHBondContact NH2-OG1 2.83Å | ||
| 1531 | V | 78 | Confident | 79.7 | Confident | 61 Ų | 61 | 33 Ų | 33 | 37% | 0.37 | 18% | 0.184 | S | C | . | . | trans | -78.2 | 99.7 | 177.9 | -179.1 | 0 | 0 | 0 | 0 | 106.7 | S1529 T1533 N1534 Y1535 | S1529-V1531 WeakPolarHBondContact O-CG2 3.39Å; S1529-V1531 PolarHBondContact O-N 3.38Å; S1529-V1531 PolarHBondContact OG-N 3.46Å; V1531-T1533 WeakPolarHBondContact CG1-OG1 3.46Å; V1531-T1533 PolarHBondContact O-N 3.22Å; V1531-T1533 VanDerWaalsContact O-N 3.12Å; V1531-N1534 HydrophobicContact CB-CB 4.28Å; V1531-N1534 HydrophobicContact CG1-CB 4.37Å; V1531-N1534 WeakPolarHBondContact O-CB 3.38Å; V1531-N1534 PolarHBondContact O-N 3.3Å; V1531-Y1535 WeakPolarHBondContact O-CD2 3Å | ||
| 1532 | V | 73.3 | Confident | 78.5 | Confident | 41 Ų | 41 | 38.8 Ų | 38.8 | 25% | 0.248 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -52.4 | -35.8 | -177.3 | 172.7 | 0 | 0 | 0 | 0 | 112.1 | R1530 N1534 Y1535 I1555 Y1556 I1558 | R1530-V1532 PolarHBondContact O-N 3.2Å; R1530-V1532 VanDerWaalsContact O-N 3.09Å; V1532-N1534 PolarHBondContact O-N 3.36Å; V1532-Y1535 PolarHBondContact O-N 3Å; V1532-Y1535 VanDerWaalsContact O-O 3.06Å; V1532-I1555 VanDerWaalsContact CG1-C 3.49Å; V1532-I1555 HydrophobicContact CG1-CB 4.01Å; V1532-I1555 HydrophobicContact CG1-CG2 4.01Å; V1532-I1555 WeakPolarHBondContact CG1-O 3.28Å; V1532-I1555 HydrophobicContact CG2-CG2 4.47Å; V1532-Y1556 WeakPolarHBondContact CG2-O 3.34Å; V1532-I1558 HydrophobicContact CG2-CD1 4.47Å; V1532-I1558 HydrophobicContact CG2-CG1 4.18Å |
| 1533 | T | 77.3 | Confident | 77.3 | Confident | 108 Ų | 108 | 43.1 Ų | 43.1 | 66% | 0.663 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -68.6 | -15.3 | 179.3 | 54.5 | 0 | 0 | 0 | 0 | 114.1 | V1531 | V1531-T1533 WeakPolarHBondContact CG1-OG1 3.46Å; V1531-T1533 PolarHBondContact O-N 3.22Å; V1531-T1533 VanDerWaalsContact O-N 3.12Å |
| 1534 | N | 83 | Confident | 76.1 | Confident | 54 Ų | 54 | 44.5 Ų | 44.5 | 29% | 0.289 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -88.7 | -9.9 | 179.9 | -67.3 | 0.8 | 0 | 0 | 0 | 112.8 | S1494 L1495 V1531 V1532 | S1494-N1534 CarbonylContact C-O 3.6Å; S1494-N1534 WeakPolarHBondContact CA-O 3.4Å; L1495-N1534 PolarHBondContact N-O 2.87Å; V1531-N1534 HydrophobicContact CB-CB 4.28Å; V1531-N1534 HydrophobicContact CG1-CB 4.37Å; V1531-N1534 WeakPolarHBondContact O-CB 3.38Å; V1531-N1534 PolarHBondContact O-N 3.3Å; V1532-N1534 PolarHBondContact O-N 3.36Å |
| 1535 | Y | 88.3 | Confident | 75.2 | Confident | 28 Ų | 28 | 45.7 Ų | 45.7 | 11% | 0.11 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 152.8 | -174.5 | -58.3 | -79.5 | 0 | 0 | 0 | 112.3 | I1492 V1493 C1526 V1527 S1529 V1531 V1532 I1558 | I1492-Y1535 HydrophobicContact CG2-CD1 4.05Å; V1493-Y1535 WeakPolarHBondContact O-CA 3.43Å; C1526-Y1535 WeakPolarHBondContact O-CE1 3.38Å; C1526-Y1535 PolarHBondContact O-OH 3.01Å; V1527-Y1535 HydrophobicContact CB-CE2 4.26Å; V1527-Y1535 HydrophobicContact CG1-CD1 4.18Å; V1527-Y1535 HydrophobicContact CG1-CD2 4.32Å; V1527-Y1535 HydrophobicContact CG1-CE1 4.24Å; V1527-Y1535 HydrophobicContact CG1-CE2 4.33Å; V1527-Y1535 HydrophobicContact CG1-CG 4.22Å; S1529-Y1535 WeakPolarHBondContact OG-CE2 3.38Å; S1529-Y1535 PolarHBondContact OG-OH 2.99Å; V1531-Y1535 WeakPolarHBondContact O-CD2 3Å; V1532-Y1535 PolarHBondContact O-N 3Å; V1532-Y1535 VanDerWaalsContact O-O 3.06Å; Y1535-I1558 HydrophobicContact CD2-CD1 3.46Å; Y1535-I1558 VanDerWaalsContact CD2-CD1 3.46Å; Y1535-I1558 HydrophobicContact CE2-CD1 4.19Å; Y1535-I1558 HydrophobicContact CG-CD1 4.17Å |
| 1536 | V | 87.2 | Confident | 74.3 | Confident | 12 Ų | 12 | 49.1 Ų | 49.1 | 7% | 0.073 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 144.8 | 169.6 | 62.2 | 0 | 0 | 0 | 0 | 109 | V1493 L1495 W1552 L1553 | V1493-V1536 HydrophobicContact CB-CG1 3.91Å; V1493-V1536 HydrophobicContact CG1-CG1 4.35Å; V1493-V1536 PolarHBondContact N-O 3.22Å; V1493-V1536 PolarHBondContact O-N 3.4Å; L1495-V1536 HydrophobicContact CD1-CB 4.2Å; L1495-V1536 HydrophobicContact CD1-CG1 4.2Å; L1495-V1536 HydrophobicContact CD2-CG1 3.86Å; L1495-V1536 HydrophobicContact CG-CB 4.47Å; L1495-V1536 HydrophobicContact CG-CG1 3.98Å; V1536-W1552 HydrophobicContact CB-CE3 4.29Å; V1536-W1552 HydrophobicContact CG1-CE3 3.39Å; V1536-W1552 HydrophobicContact CG1-CZ3 3.42Å; V1536-W1552 VanDerWaalsContact CG1-CZ3 3.42Å; V1536-W1552 HydrophobicContact CG2-CB 4.36Å; V1536-W1552 HydrophobicContact CG2-CE3 3.93Å; V1536-L1553 WeakPolarHBondContact CG2-O 3.41Å |
| 1537 | V | 86.6 | Confident | 73.2 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 129 | 172.4 | 176.3 | 0 | 0 | 0 | 0 | 107.5 | V1490 H1491 V1520 L1553 I1555 I1578 L1580 | V1490-V1537 HydrophobicContact CB-CG1 3.79Å; V1490-V1537 HydrophobicContact CG1-CG1 4.25Å; V1490-V1537 HydrophobicContact CG2-CG1 3.67Å; H1491-V1537 CarbonylContact O-C 3.54Å; H1491-V1537 WeakPolarHBondContact O-CA 3.35Å; V1520-V1537 HydrophobicContact CG2-CG1 4.44Å; V1537-L1553 HydrophobicContact CB-CB 4.07Å; V1537-L1553 HydrophobicContact CG1-CB 4.4Å; V1537-L1553 HydrophobicContact CG1-CD1 4.15Å; V1537-L1553 PolarHBondContact N-O 2.93Å; V1537-L1553 VanDerWaalsContact N-O 3.16Å; V1537-L1553 WeakPolarHBondContact O-CA 3.39Å; V1537-L1553 WeakPolarHBondContact O-CB 3.14Å; V1537-L1553 PolarHBondContact O-N 2.9Å; V1537-I1555 HydrophobicContact CG2-CD1 3.97Å; V1537-I1555 HydrophobicContact CG2-CG1 4.03Å; V1537-I1578 HydrophobicContact CG2-CD1 4.35Å; V1537-I1578 HydrophobicContact CG2-CG2 3.95Å; V1537-L1580 HydrophobicContact CB-CD2 3.89Å; V1537-L1580 HydrophobicContact CG2-CD2 3.75Å |
| 1538 | Y | 84 | Confident | 72.1 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 130.1 | -177.9 | 170.8 | -99.7 | 0 | 0 | 0 | 109.8 | H1491 V1493 G1540 S1541 S1544 L1545 H1549 W1552 | H1491-Y1538 HydrophobicContact CB-CD1 4.19Å; H1491-Y1538 PolarHBondContact N-O 3.33Å; H1491-Y1538 PolarHBondContact O-N 3.45Å; V1493-Y1538 HydrophobicContact CG2-CG 4.37Å; Y1538-G1540 VanDerWaalsContact CE1-C 3.42Å; Y1538-G1540 VanDerWaalsContact CE1-O 3.24Å; Y1538-G1540 WeakPolarHBondContact CE1-O 3.31Å; Y1538-S1541 WeakPolarHBondContact CE1-O 3.38Å; Y1538-S1541 PolarHBondContact OH-O 2.79Å; Y1538-S1544 VanDerWaalsContact OH-C 3.3Å; Y1538-S1544 WeakPolarHBondContact OH-CB 3.47Å; Y1538-L1545 HydrophobicContact CD1-CD1 3.99Å; Y1538-L1545 HydrophobicContact CD2-CD1 3.8Å; Y1538-L1545 HydrophobicContact CE1-CB 3.93Å; Y1538-L1545 HydrophobicContact CE1-CD1 4.02Å; Y1538-L1545 HydrophobicContact CE2-CD1 3.85Å; Y1538-L1545 HydrophobicContact CG-CD1 3.88Å; Y1538-L1545 PolarHBondContact OH-N 2.74Å; Y1538-H1549 WeakPolarHBondContact CE2-O 3.21Å; Y1538-H1549 PolarHBondContact OH-O 3.47Å; Y1538-W1552 AromaticContact CD2-CD2 4Å; Y1538-W1552 HydrophobicContact CD2-CD2 4Å; Y1538-W1552 AromaticContact CD2-CE2 3.89Å; Y1538-W1552 HydrophobicContact CD2-CE3 4.5Å; Y1538-W1552 HydrophobicContact CD2-CG 4.25Å; Y1538-W1552 HydrophobicContact CD2-CZ2 4.37Å; Y1538-W1552 AromaticContact CD2-NE1 3.98Å |
| 1539 | M | 75.9 | Confident | 71.7 | Confident | 77 Ų | 77 | 57.9 Ų | 57.9 | 38% | 0.379 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 104.9 | 177.9 | -171.1 | -178.1 | -169.4 | 0 | 0 | 108.8 | F1508 K1551 L1553 | F1508-M1539 HydrophobicContact CE2-SD 4.5Å; M1539-K1551 HydrophobicContact CB-CB 4.32Å; M1539-K1551 PolarHBondContact N-O 3.39Å; M1539-K1551 PolarHBondContact O-N 3.47Å; M1539-L1553 HydrophobicContact CB-CD1 4.49Å |
| 1540 | G | 68.9 | Low | 71.6 | Confident | 33 Ų | 33 | 57.6 Ų | 57.6 | 34% | 0.34 | 33% | 0.33 | S | S | . | . | S | Bend | trans | 159.2 | 176.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | H1491 Y1538 | H1491-G1540 PolarHBondContact CD2-O 2.86Å; H1491-G1540 VanDerWaalsContact CD2-O 3.32Å; Y1538-G1540 VanDerWaalsContact CE1-C 3.42Å; Y1538-G1540 VanDerWaalsContact CE1-O 3.24Å; Y1538-G1540 WeakPolarHBondContact CE1-O 3.31Å |
| 1541 | S | 68.1 | Low | 72 | Confident | 21 Ų | 21 | 58.6 Ų | 58.6 | 15% | 0.147 | 34% | 0.337 | C | S | . | . | trans | -76.8 | 161 | 178.1 | 80.7 | 0 | 0 | 0 | 0 | 112.3 | Y1538 K1543 S1544 L1545 | Y1538-S1541 WeakPolarHBondContact CE1-O 3.38Å; Y1538-S1541 PolarHBondContact OH-O 2.79Å; S1541-K1543 PolarHBondContact O-N 3.01Å; S1541-K1543 PolarHBondContact OG-N 3.25Å; S1541-S1544 PolarHBondContact O-N 3.43Å; S1541-S1544 WeakPolarHBondContact OG-CB 3.25Å; S1541-S1544 PolarHBondContact OG-N 3.45Å; S1541-S1544 PolarHBondContact OG-OG 2.88Å; S1541-L1545 PolarHBondContact O-N 2.93Å | ||
| 1542 | K | 61.9 | Low | 72.1 | Confident | 129 Ų | 129 | 60.1 Ų | 60.1 | 56% | 0.561 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -59.7 | -32.9 | 171.9 | -175.9 | -179.8 | 175.7 | -171.8 | 0 | 112.8 | I1502 L1545 S1546 L1655 | I1502-K1542 HydrophobicContact CD1-CB 3.9Å; I1502-K1542 HydrophobicContact CD1-CG 3.94Å; K1542-L1545 WeakPolarHBondContact O-CB 3.22Å; K1542-L1545 PolarHBondContact O-N 2.81Å; K1542-S1546 PolarHBondContact O-N 3.35Å; K1542-L1655 HydrophobicContact CD-CD2 4.25Å |
| 1543 | K | 62 | Low | 72.6 | Confident | 91 Ų | 91 | 58.6 Ų | 58.6 | 40% | 0.396 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -73.2 | -41 | 177.2 | -156 | -168.8 | -175.7 | -127.9 | 0 | 111.4 | S1541 L1545 S1546 E1547 | S1541-K1543 PolarHBondContact O-N 3.01Å; S1541-K1543 PolarHBondContact OG-N 3.25Å; K1543-L1545 PolarHBondContact O-N 2.86Å; K1543-S1546 WeakPolarHBondContact CA-OG 2.96Å; K1543-S1546 PolarHBondContact O-N 3.19Å; K1543-S1546 VanDerWaalsContact O-N 3.11Å; K1543-S1546 PolarHBondContact O-OG 2.93Å; K1543-E1547 WeakPolarHBondContact CD-OE1 3.48Å; K1543-E1547 WeakPolarHBondContact CE-OE1 3.4Å; K1543-E1547 IonicContact NZ-OE1 2.98Å; K1543-E1547 PolarHBondContact NZ-OE1 2.52Å; K1543-E1547 WeakPolarHBondContact O-CB 3.27Å; K1543-E1547 WeakPolarHBondContact O-CG 3.49Å; K1543-E1547 PolarHBondContact O-N 2.95Å |
| 1544 | S | 63.2 | Low | 72.9 | Confident | 29 Ų | 29 | 56.1 Ų | 56.1 | 20% | 0.203 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.3 | -34.6 | 171.9 | -56.1 | 0 | 0 | 0 | 0 | 111 | Y1538 S1541 S1546 E1547 G1548 H1549 | Y1538-S1544 VanDerWaalsContact OH-C 3.3Å; Y1538-S1544 WeakPolarHBondContact OH-CB 3.47Å; S1541-S1544 PolarHBondContact O-N 3.43Å; S1541-S1544 WeakPolarHBondContact OG-CB 3.25Å; S1541-S1544 PolarHBondContact OG-N 3.45Å; S1541-S1544 PolarHBondContact OG-OG 2.88Å; S1544-S1546 PolarHBondContact O-N 3.23Å; S1544-E1547 CarbonylContact O-C 3.57Å; S1544-E1547 PolarHBondContact O-N 2.8Å; S1544-G1548 CarbonylContact O-C 3.41Å; S1544-G1548 WeakPolarHBondContact O-CA 3.35Å; S1544-G1548 PolarHBondContact O-N 2.95Å; S1544-H1549 CarbonylContact C-O 3.56Å; S1544-H1549 WeakPolarHBondContact CB-O 3.38Å; S1544-H1549 PolarHBondContact O-N 3.1Å |
| 1545 | L | 63.1 | Low | 72.8 | Confident | 24 Ų | 24 | 53.8 Ų | 53.8 | 13% | 0.126 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.4 | -43.7 | 174.6 | -172.4 | 72.7 | 0 | 0 | 0 | 112.1 | V1493 I1502 Y1538 S1541 K1542 K1543 G1548 W1552 | V1493-L1545 HydrophobicContact CG2-CD1 4.41Å; V1493-L1545 HydrophobicContact CG2-CD2 4.37Å; I1502-L1545 HydrophobicContact CD1-CD2 4.15Å; I1502-L1545 HydrophobicContact CG1-CD2 3.71Å; Y1538-L1545 HydrophobicContact CD1-CD1 3.99Å; Y1538-L1545 HydrophobicContact CD2-CD1 3.8Å; Y1538-L1545 HydrophobicContact CE1-CB 3.93Å; Y1538-L1545 HydrophobicContact CE1-CD1 4.02Å; Y1538-L1545 HydrophobicContact CE2-CD1 3.85Å; Y1538-L1545 HydrophobicContact CG-CD1 3.88Å; Y1538-L1545 PolarHBondContact OH-N 2.74Å; S1541-L1545 PolarHBondContact O-N 2.93Å; K1542-L1545 WeakPolarHBondContact O-CB 3.22Å; K1542-L1545 PolarHBondContact O-N 2.81Å; K1543-L1545 PolarHBondContact O-N 2.86Å; L1545-G1548 PolarHBondContact O-N 2.92Å; L1545-W1552 HydrophobicContact CD1-CH2 3.38Å; L1545-W1552 HydrophobicContact CD1-CZ2 3.35Å; L1545-W1552 HydrophobicContact CD1-CZ3 4.23Å |
| 1546 | S | 63.3 | Low | 71.9 | Confident | 99 Ų | 99 | 55.8 Ų | 55.8 | 69% | 0.692 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -70.7 | -30.6 | 175.5 | 46.7 | 0 | 0 | 0 | 0 | 113.4 | K1542 K1543 S1544 G1548 | K1542-S1546 PolarHBondContact O-N 3.35Å; K1543-S1546 WeakPolarHBondContact CA-OG 2.96Å; K1543-S1546 PolarHBondContact O-N 3.19Å; K1543-S1546 VanDerWaalsContact O-N 3.11Å; K1543-S1546 PolarHBondContact O-OG 2.93Å; S1544-S1546 PolarHBondContact O-N 3.23Å; S1546-G1548 VanDerWaalsContact C-N 3.34Å |
| 1547 | E | 63.1 | Low | 71.2 | Confident | 94 Ų | 94 | 57 Ų | 57 | 44% | 0.439 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -86 | -5 | 176.5 | -65.8 | 168.9 | 177.3 | 0 | 0 | 112.4 | K1543 S1544 H1549 | K1543-E1547 WeakPolarHBondContact CD-OE1 3.48Å; K1543-E1547 WeakPolarHBondContact CE-OE1 3.4Å; K1543-E1547 IonicContact NZ-OE1 2.98Å; K1543-E1547 PolarHBondContact NZ-OE1 2.52Å; K1543-E1547 WeakPolarHBondContact O-CB 3.27Å; K1543-E1547 WeakPolarHBondContact O-CG 3.49Å; K1543-E1547 PolarHBondContact O-N 2.95Å; S1544-E1547 CarbonylContact O-C 3.57Å; S1544-E1547 PolarHBondContact O-N 2.8Å; E1547-H1549 VanDerWaalsContact C-N 3.29Å; E1547-H1549 PolarHBondContact O-N 3.49Å; E1547-H1549 IonicContact OE2-CD2 3.39Å |
| 1548 | G | 58.1 | Low | 70.8 | Confident | 52 Ų | 52 | 57.4 Ų | 57.4 | 54% | 0.536 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 6.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | S1544 L1545 S1546 | S1544-G1548 CarbonylContact O-C 3.41Å; S1544-G1548 WeakPolarHBondContact O-CA 3.35Å; S1544-G1548 PolarHBondContact O-N 2.95Å; L1545-G1548 PolarHBondContact O-N 2.92Å; S1546-G1548 VanDerWaalsContact C-N 3.34Å |
| 1549 | H | 63.4 | Low | 70 | Confident | 118 Ų | 118 | 59.2 Ų | 59.2 | 55% | 0.546 | 33% | 0.331 | S | S | . | . | trans | -83.2 | 150.1 | 174.5 | -63.4 | -59 | 0 | 0 | 0 | 111.7 | Y1538 S1544 E1547 | Y1538-H1549 WeakPolarHBondContact CE2-O 3.21Å; Y1538-H1549 PolarHBondContact OH-O 3.47Å; S1544-H1549 CarbonylContact C-O 3.56Å; S1544-H1549 WeakPolarHBondContact CB-O 3.38Å; S1544-H1549 PolarHBondContact O-N 3.1Å; E1547-H1549 VanDerWaalsContact C-N 3.29Å; E1547-H1549 PolarHBondContact O-N 3.49Å; E1547-H1549 IonicContact OE2-CD2 3.39Å | ||
| 1550 | G | 66.9 | Low | 69.8 | Low | 45 Ų | 45 | 56 Ų | 56 | 46% | 0.464 | 32% | 0.315 | S | S | . | . | S | Bend | trans | 115.8 | 173.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 1551 | K | 75.9 | Confident | 69.6 | Low | 114 Ų | 114 | 59.6 Ų | 59.6 | 50% | 0.496 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 113.9 | -174.6 | -164.5 | 173.9 | -175.8 | 175.5 | 0 | 110.8 | M1539 L1553 | M1539-K1551 HydrophobicContact CB-CB 4.32Å; M1539-K1551 PolarHBondContact N-O 3.39Å; M1539-K1551 PolarHBondContact O-N 3.47Å; K1551-L1553 HydrophobicContact CD-CD2 4.02Å; K1551-L1553 HydrophobicContact CG-CD2 3.93Å; K1551-L1553 HydrophobicContact CG-CG 4.45Å |
| 1552 | W | 81.2 | Confident | 69.5 | Low | 94 Ų | 94 | 59.6 Ų | 59.6 | 36% | 0.356 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 119 | 173.5 | -61.9 | 78.8 | 0 | 0 | 0 | 109.6 | V1493 L1495 P1500 V1536 Y1538 L1545 P1554 | V1493-W1552 HydrophobicContact CG1-CZ3 4.22Å; L1495-W1552 HydrophobicContact CD2-CZ3 4.29Å; P1500-W1552 HydrophobicContact CB-CH2 4.19Å; P1500-W1552 HydrophobicContact CG-CH2 4.32Å; V1536-W1552 HydrophobicContact CB-CE3 4.29Å; V1536-W1552 HydrophobicContact CG1-CE3 3.39Å; V1536-W1552 HydrophobicContact CG1-CZ3 3.42Å; V1536-W1552 VanDerWaalsContact CG1-CZ3 3.42Å; V1536-W1552 HydrophobicContact CG2-CB 4.36Å; V1536-W1552 HydrophobicContact CG2-CE3 3.93Å; Y1538-W1552 AromaticContact CD2-CD2 4Å; Y1538-W1552 HydrophobicContact CD2-CD2 4Å; Y1538-W1552 AromaticContact CD2-CE2 3.89Å; Y1538-W1552 HydrophobicContact CD2-CE3 4.5Å; Y1538-W1552 HydrophobicContact CD2-CG 4.25Å; Y1538-W1552 HydrophobicContact CD2-CZ2 4.37Å; Y1538-W1552 AromaticContact CD2-NE1 3.98Å; L1545-W1552 HydrophobicContact CD1-CH2 3.38Å; L1545-W1552 HydrophobicContact CD1-CZ2 3.35Å; L1545-W1552 HydrophobicContact CD1-CZ3 4.23Å; W1552-P1554 WeakPolarHBondContact O-CD 3.31Å |
| 1553 | L | 83.8 | Confident | 69.3 | Low | 9 Ų | 9 | 53.9 Ų | 53.9 | 5% | 0.047 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 100.8 | -176 | -60.3 | 172.8 | 0 | 0 | 0 | 108.7 | F1508 V1536 V1537 M1539 K1551 L1580 V1584 | F1508-L1553 HydrophobicContact CZ-CD1 3.9Å; V1536-L1553 WeakPolarHBondContact CG2-O 3.41Å; V1537-L1553 HydrophobicContact CB-CB 4.07Å; V1537-L1553 HydrophobicContact CG1-CB 4.4Å; V1537-L1553 HydrophobicContact CG1-CD1 4.15Å; V1537-L1553 PolarHBondContact N-O 2.93Å; V1537-L1553 VanDerWaalsContact N-O 3.16Å; V1537-L1553 WeakPolarHBondContact O-CA 3.39Å; V1537-L1553 WeakPolarHBondContact O-CB 3.14Å; V1537-L1553 PolarHBondContact O-N 2.9Å; M1539-L1553 HydrophobicContact CB-CD1 4.49Å; K1551-L1553 HydrophobicContact CD-CD2 4.02Å; K1551-L1553 HydrophobicContact CG-CD2 3.93Å; K1551-L1553 HydrophobicContact CG-CG 4.45Å; L1553-L1580 HydrophobicContact CB-CD1 4.19Å; L1553-L1580 HydrophobicContact CB-CD2 4Å; L1553-L1580 HydrophobicContact CD1-CD1 3.98Å; L1553-V1584 HydrophobicContact CD1-CG2 3.74Å; L1553-V1584 HydrophobicContact CD2-CG2 3.84Å; L1553-V1584 HydrophobicContact CG-CG2 4.44Å |
| 1554 | P | 82.9 | Confident | 69 | Low | 56 Ų | 56 | 49.8 Ų | 49.8 | 36% | 0.364 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 140.6 | -176.5 | 25.6 | -31.8 | 0 | 0 | 0 | 111.4 | W1552 K1581 | W1552-P1554 WeakPolarHBondContact O-CD 3.31Å; P1554-K1581 HydrophobicContact CB-CD 4.08Å; P1554-K1581 HydrophobicContact CG-CB 4.19Å; P1554-K1581 HydrophobicContact CG-CD 4.28Å; P1554-K1581 PolarHBondContact O-N 3.21Å |
| 1555 | I | 80.9 | Confident | 68.4 | Low | 5 Ų | 5 | 50.1 Ų | 50.1 | 3% | 0.026 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 145.8 | -178.7 | -57 | 171 | 0 | 0 | 0 | 108.9 | V1532 V1537 L1557 I1558 I1578 L1580 K1581 | V1532-I1555 VanDerWaalsContact CG1-C 3.49Å; V1532-I1555 HydrophobicContact CG1-CB 4.01Å; V1532-I1555 HydrophobicContact CG1-CG2 4.01Å; V1532-I1555 WeakPolarHBondContact CG1-O 3.28Å; V1532-I1555 HydrophobicContact CG2-CG2 4.47Å; V1537-I1555 HydrophobicContact CG2-CD1 3.97Å; V1537-I1555 HydrophobicContact CG2-CG1 4.03Å; I1555-L1557 WeakPolarHBondContact CG2-O 3.12Å; I1555-I1558 HydrophobicContact CD1-CD1 4.39Å; I1555-I1558 HydrophobicContact CG2-CD1 4.32Å; I1555-I1558 HydrophobicContact CG2-CG1 3.67Å; I1555-I1578 HydrophobicContact CB-CG2 4.25Å; I1555-I1578 HydrophobicContact CD1-CD1 4.5Å; I1555-I1578 HydrophobicContact CD1-CG2 3.66Å; I1555-I1578 HydrophobicContact CG1-CG2 3.62Å; I1555-I1578 HydrophobicContact CG2-CG2 3.65Å; I1555-L1580 HydrophobicContact CG1-CD2 4.37Å; I1555-K1581 WeakPolarHBondContact O-CE 3.35Å |
| 1556 | Y | 70.6 | Confident | 67.5 | Low | 69 Ų | 69 | 55.3 Ų | 55.3 | 27% | 0.271 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | -25.3 | 166.6 | 81.3 | -91.6 | 0 | 0 | 0 | 113.2 | P1262 V1532 K1579 L1580 | P1262-Y1556 HydrophobicContact CB-CE2 3.96Å; P1262-Y1556 HydrophobicContact CG-CE2 3.84Å; V1532-Y1556 WeakPolarHBondContact CG2-O 3.34Å; Y1556-K1579 HydrophobicContact CD1-CB 4.06Å; Y1556-K1579 VanDerWaalsContact CD1-O 3.29Å; Y1556-K1579 WeakPolarHBondContact CD1-O 3.44Å; Y1556-K1579 HydrophobicContact CE1-CB 3.35Å; Y1556-K1579 HydrophobicContact CE1-CG 4.47Å; Y1556-K1579 HydrophobicContact CE2-CB 4.45Å; Y1556-K1579 PolarHBondContact N-O 2.92Å; Y1556-L1580 WeakPolarHBondContact CD1-O 3.35Å; Y1556-L1580 WeakPolarHBondContact CE1-O 3.34Å |
| 1557 | L | 72.4 | Confident | 66.6 | Low | 39 Ų | 39 | 51.5 Ų | 51.5 | 20% | 0.204 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 134.4 | 179.2 | 175.9 | 70.6 | 0 | 0 | 0 | 110.1 | I1555 K1579 | I1555-L1557 WeakPolarHBondContact CG2-O 3.12Å; L1557-K1579 HydrophobicContact CB-CB 4.17Å; L1557-K1579 HydrophobicContact CD2-CG 4.3Å; L1557-K1579 PolarHBondContact N-O 3.33Å; L1557-K1579 PolarHBondContact O-N 3.27Å |
| 1558 | I | 76.4 | Confident | 66 | Low | 8 Ų | 8 | 50.9 Ų | 50.9 | 4% | 0.041 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 116.1 | 166.3 | -61.6 | 175.5 | 0 | 0 | 0 | 106.4 | V1527 R1530 V1532 Y1535 I1555 T1560 | V1527-I1558 HydrophobicContact CB-CD1 4.38Å; V1527-I1558 HydrophobicContact CB-CG2 3.67Å; V1527-I1558 HydrophobicContact CG1-CD1 4.5Å; V1527-I1558 HydrophobicContact CG2-CG2 3.59Å; R1530-I1558 HydrophobicContact CB-CG2 4.46Å; R1530-I1558 HydrophobicContact CG-CG2 4.34Å; V1532-I1558 HydrophobicContact CG2-CD1 4.47Å; V1532-I1558 HydrophobicContact CG2-CG1 4.18Å; Y1535-I1558 HydrophobicContact CD2-CD1 3.46Å; Y1535-I1558 VanDerWaalsContact CD2-CD1 3.46Å; Y1535-I1558 HydrophobicContact CE2-CD1 4.19Å; Y1535-I1558 HydrophobicContact CG-CD1 4.17Å; I1555-I1558 HydrophobicContact CD1-CD1 4.39Å; I1555-I1558 HydrophobicContact CG2-CD1 4.32Å; I1555-I1558 HydrophobicContact CG2-CG1 3.67Å; I1558-T1560 HydrophobicContact CG2-CG2 4.19Å |
| 1559 | A | 67.8 | Low | 65.7 | Low | 38 Ų | 38 | 53.3 Ų | 53.3 | 31% | 0.314 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 123.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | V1577 | A1559-V1577 PolarHBondContact N-O 3.35Å; A1559-V1577 PolarHBondContact O-N 3.24Å |
| 1560 | T | 73 | Confident | 65.2 | Low | 9 Ų | 9 | 48.9 Ų | 48.9 | 6% | 0.055 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 139.3 | 169.5 | 73.6 | 0 | 0 | 0 | 0 | 110.2 | A1524 V1527 R1530 I1558 P1562 V1575 | A1524-T1560 HydrophobicContact CB-CG2 4.18Å; V1527-T1560 HydrophobicContact CG2-CG2 3.83Å; R1530-T1560 HydrophobicContact CG-CG2 4.23Å; R1530-T1560 PolarHBondContact NE-OG1 3.31Å; R1530-T1560 PolarHBondContact NH2-O 2.92Å; R1530-T1560 PolarHBondContact NH2-OG1 2.83Å; I1558-T1560 HydrophobicContact CG2-CG2 4.19Å; T1560-P1562 WeakPolarHBondContact O-CD 3.24Å; T1560-V1575 WeakPolarHBondContact CA-O 3.16Å |
| 1561 | K | 64.4 | Low | 64.7 | Low | 108 Ų | 108 | 51.5 Ų | 51.5 | 47% | 0.47 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 92.9 | 176 | -165.2 | 177.7 | -170.1 | 179.2 | 0 | 109 | G1574 V1575 G1707 | K1561-G1574 VanDerWaalsContact O-CA 3.26Å; K1561-G1574 WeakPolarHBondContact O-CA 3.21Å; K1561-V1575 PolarHBondContact N-O 2.78Å; K1561-V1575 PolarHBondContact O-N 3.09Å; K1561-G1707 WeakPolarHBondContact CE-O 3.44Å; K1561-G1707 PolarHBondContact NZ-O 3.42Å |
| 1562 | P | 64.8 | Low | 63.9 | Low | 22 Ų | 22 | 49.5 Ų | 49.5 | 14% | 0.143 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 137.9 | 176.4 | 28 | -32.9 | 0 | 0 | 0 | 110.5 | W1528 T1560 A1565 K1571 L1573 | W1528-P1562 HydrophobicContact CH2-CB 4.32Å; W1528-P1562 HydrophobicContact CH2-CG 4.39Å; W1528-P1562 HydrophobicContact CZ3-CB 4.13Å; W1528-P1562 HydrophobicContact CZ3-CG 4.36Å; T1560-P1562 WeakPolarHBondContact O-CD 3.24Å; P1562-A1565 HydrophobicContact CG-CB 4.32Å; P1562-K1571 WeakPolarHBondContact CB-O 3.38Å; P1562-L1573 CarbonylContact C-O 3.52Å; P1562-L1573 WeakPolarHBondContact CA-O 3.45Å |
| 1563 | F | 59 | Low | 63.2 | Low | 8 Ų | 8 | 46.5 Ų | 46.5 | 4% | 0.035 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -75.1 | -36.7 | 178 | -63.4 | -49.3 | 0 | 0 | 0 | 111.9 | L1573 V1575 L1702 A1706 | F1563-L1573 PolarHBondContact N-O 3.17Å; F1563-V1575 HydrophobicContact CZ-CG2 3.97Å; F1563-L1702 HydrophobicContact CD2-CD2 4.26Å; F1563-L1702 HydrophobicContact CE2-CB 4.41Å; F1563-L1702 HydrophobicContact CE2-CD1 4.49Å; F1563-L1702 HydrophobicContact CE2-CD2 3.99Å; F1563-A1706 HydrophobicContact CD1-CB 4.27Å; F1563-A1706 VanDerWaalsContact CD1-O 3.23Å; F1563-A1706 WeakPolarHBondContact CD1-O 3.22Å; F1563-A1706 HydrophobicContact CE1-CB 3.69Å; F1563-A1706 WeakPolarHBondContact CE1-O 3.39Å; F1563-A1706 HydrophobicContact CE2-CB 4.13Å; F1563-A1706 HydrophobicContact CZ-CB 3.57Å |
| 1564 | L | 55.1 | Low | 62.7 | Low | 6 Ų | 6 | 46.1 Ų | 46.1 | 3% | 0.031 | 25% | 0.249 | C | C | . | . | trans | -125.1 | 63.1 | -173.1 | -80.6 | 158.2 | 0 | 0 | 0 | 111.6 | H1566 H1567 L1570 K1571 V1711 | L1564-H1566 PolarHBondContact O-N 3.23Å; L1564-H1567 HydrophobicContact CB-CB 3.93Å; L1564-H1567 PolarHBondContact O-N 3.13Å; L1564-L1570 HydrophobicContact CB-CB 4.03Å; L1564-L1570 HydrophobicContact CD1-CB 3.71Å; L1564-L1570 HydrophobicContact CD1-CD1 3.53Å; L1564-L1570 HydrophobicContact CD1-CG 4.25Å; L1564-K1571 WeakPolarHBondContact O-CA 3.22Å; L1564-V1711 HydrophobicContact CD2-CB 4.08Å; L1564-V1711 HydrophobicContact CD2-CG1 4.29Å; L1564-V1711 WeakPolarHBondContact CD2-O 3.45Å | ||
| 1565 | A | 49.8 | Very low | 62.4 | Low | 35 Ų | 35 | 44.5 Ų | 44.5 | 29% | 0.289 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -19.5 | -176 | 0 | 0 | 0 | 0 | 0 | 115.1 | P1562 K1571 | P1562-A1565 HydrophobicContact CG-CB 4.32Å; A1565-K1571 WeakPolarHBondContact O-CE 3.42Å |
| 1566 | H | 45.5 | Very low | 62.5 | Low | 134 Ų | 134 | 44.3 Ų | 44.3 | 62% | 0.62 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | -2.6 | -177.4 | -56.8 | -60.6 | 0 | 0 | 0 | 114.6 | L1564 | L1564-H1566 PolarHBondContact O-N 3.23Š|
| 1567 | H | 43.6 | Very low | 63 | Low | 19 Ų | 19 | 43.2 Ų | 43.2 | 9% | 0.088 | 24% | 0.238 | C | C | . | . | trans | -86.9 | 148.6 | 176.7 | -160.5 | -72.3 | 0 | 0 | 0 | 110.4 | L1564 T1569 L1570 K1571 | L1564-H1567 HydrophobicContact CB-CB 3.93Å; L1564-H1567 PolarHBondContact O-N 3.13Å; H1567-T1569 PolarHBondContact CE1-OG1 3.46Å; H1567-T1569 PolarHBondContact ND1-N 3.19Å; H1567-T1569 PolarHBondContact ND1-OG1 3.5Å; H1567-T1569 VanDerWaalsContact ND1-OG1 3.08Å; H1567-L1570 HydrophobicContact CB-CB 3.93Å; H1567-L1570 PolarHBondContact ND1-N 3.4Å; H1567-K1571 VanDerWaalsContact O-CB 3.31Å; H1567-K1571 WeakPolarHBondContact O-CB 3.41Å | ||
| 1568 | S | 51.4 | Low | 63.6 | Low | 80 Ų | 80 | 41.3 Ų | 41.3 | 56% | 0.559 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -74 | -47.3 | -179.9 | 46.2 | 0 | 0 | 0 | 0 | 112.7 | R1713 | S1568-R1713 PolarHBondContact OG-NH2 3.21Š|
| 1569 | T | 51.3 | Low | 63.6 | Low | 103 Ų | 103 | 42 Ų | 42 | 63% | 0.632 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -87.6 | -47.1 | 178.6 | 44.5 | 0 | 0 | 0 | 0 | 113.7 | H1567 K1571 | H1567-T1569 PolarHBondContact CE1-OG1 3.46Å; H1567-T1569 PolarHBondContact ND1-N 3.19Å; H1567-T1569 PolarHBondContact ND1-OG1 3.5Å; H1567-T1569 VanDerWaalsContact ND1-OG1 3.08Å; T1569-K1571 PolarHBondContact O-N 3.28Å |
| 1570 | L | 53.3 | Low | 64.3 | Low | 26 Ų | 26 | 40.2 Ų | 40.2 | 14% | 0.136 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -76.9 | 2.5 | -176 | -53 | 174.8 | 0 | 0 | 0 | 114.5 | L1564 H1567 M1572 L1573 Y1640 | L1564-L1570 HydrophobicContact CB-CB 4.03Å; L1564-L1570 HydrophobicContact CD1-CB 3.71Å; L1564-L1570 HydrophobicContact CD1-CD1 3.53Å; L1564-L1570 HydrophobicContact CD1-CG 4.25Å; H1567-L1570 HydrophobicContact CB-CB 3.93Å; H1567-L1570 PolarHBondContact ND1-N 3.4Å; L1570-M1572 PolarHBondContact O-N 3.22Å; L1570-L1573 HydrophobicContact CB-CD1 3.92Å; L1570-L1573 HydrophobicContact CD2-CD1 3.26Å; L1570-L1573 HydrophobicContact CD2-CG 4.43Å; L1570-L1573 HydrophobicContact CG-CD1 4.11Å; L1570-L1573 WeakPolarHBondContact O-CB 3.41Å; L1570-L1573 PolarHBondContact O-N 2.9Å; L1570-L1573 VanDerWaalsContact O-N 3.12Å; L1570-Y1640 HydrophobicContact CD1-CE2 4.39Å |
| 1571 | K | 54.7 | Low | 64.1 | Low | 99 Ų | 99 | 45.7 Ų | 45.7 | 43% | 0.43 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -57.7 | -30.8 | 178.6 | -157.6 | 175.6 | 176.7 | -178.5 | 0 | 113.3 | W1528 P1562 L1564 A1565 H1567 T1569 | W1528-K1571 HydrophobicContact CH2-CG 4.09Å; W1528-K1571 VanDerWaalsContact CH2-O 3.3Å; W1528-K1571 WeakPolarHBondContact CH2-O 3.44Å; W1528-K1571 HydrophobicContact CZ2-CD 4.36Å; W1528-K1571 HydrophobicContact CZ2-CG 4.24Å; W1528-K1571 WeakPolarHBondContact CZ3-O 3.33Å; P1562-K1571 WeakPolarHBondContact CB-O 3.38Å; L1564-K1571 WeakPolarHBondContact O-CA 3.22Å; A1565-K1571 WeakPolarHBondContact O-CE 3.42Å; H1567-K1571 VanDerWaalsContact O-CB 3.31Å; H1567-K1571 WeakPolarHBondContact O-CB 3.41Å; T1569-K1571 PolarHBondContact O-N 3.28Å |
| 1572 | M | 59.1 | Low | 64.4 | Low | 73 Ų | 73 | 47.8 Ų | 47.8 | 36% | 0.36 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -80.9 | -19.8 | -176.1 | -61.8 | -83.2 | -75.1 | 0 | 0 | 112 | S1525 W1528 L1570 G1574 | S1525-M1572 PolarHBondContact N-O 2.89Å; W1528-M1572 HydrophobicContact CB-CE 4.03Å; W1528-M1572 HydrophobicContact CB-SD 4.07Å; W1528-M1572 HydrophobicContact CD2-SD 3.52Å; W1528-M1572 VanDerWaalsContact CD2-SD 3.52Å; W1528-M1572 HydrophobicContact CE3-SD 4.19Å; W1528-M1572 HydrophobicContact CG-CE 4Å; W1528-M1572 HydrophobicContact CG-SD 3.41Å; W1528-M1572 HydrophobicContact CZ2-SD 4.43Å; L1570-M1572 PolarHBondContact O-N 3.22Å; M1572-G1574 PolarHBondContact O-N 3Å |
| 1573 | L | 66.5 | Low | 64.6 | Low | 31 Ų | 31 | 48 Ų | 48 | 16% | 0.162 | 25% | 0.249 | C | C | . | . | trans | -74.3 | 125.8 | -177.3 | -69 | 171.5 | 0 | 0 | 0 | 110.9 | P1562 F1563 L1570 E1677 L1702 | P1562-L1573 CarbonylContact C-O 3.52Å; P1562-L1573 WeakPolarHBondContact CA-O 3.45Å; F1563-L1573 PolarHBondContact N-O 3.17Å; L1570-L1573 HydrophobicContact CB-CD1 3.92Å; L1570-L1573 HydrophobicContact CD2-CD1 3.26Å; L1570-L1573 HydrophobicContact CD2-CG 4.43Å; L1570-L1573 HydrophobicContact CG-CD1 4.11Å; L1570-L1573 WeakPolarHBondContact O-CB 3.41Å; L1570-L1573 PolarHBondContact O-N 2.9Å; L1570-L1573 VanDerWaalsContact O-N 3.12Å; L1573-E1677 HydrophobicContact CD2-CG 3.48Å; L1573-E1677 VanDerWaalsContact CD2-CG 3.48Å; L1573-E1677 WeakPolarHBondContact CD2-OE1 3.29Å; L1573-L1702 HydrophobicContact CB-CD2 4.41Å; L1573-L1702 HydrophobicContact CD2-CD1 4.11Å; L1573-L1702 HydrophobicContact CD2-CD2 4.11Å; L1573-L1702 HydrophobicContact CD2-CG 4.47Å | ||
| 1574 | G | 73.5 | Confident | 65.3 | Low | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 168.3 | -178.1 | -179 | 0 | 0 | 0 | 0 | 0 | 112.7 | A1524 K1561 M1572 | A1524-G1574 VanDerWaalsContact CB-O 3.29Å; A1524-G1574 WeakPolarHBondContact CB-O 3.18Å; A1524-G1574 PolarHBondContact N-O 2.68Å; K1561-G1574 VanDerWaalsContact O-CA 3.26Å; K1561-G1574 WeakPolarHBondContact O-CA 3.21Å; M1572-G1574 PolarHBondContact O-N 3Å |
| 1575 | V | 78.3 | Confident | 65.8 | Low | 23 Ų | 23 | 52.8 Ų | 52.8 | 14% | 0.139 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 132.4 | 175.2 | -177.1 | 0 | 0 | 0 | 0 | 109.8 | I1521 T1560 K1561 F1563 V1577 I1675 | I1521-V1575 HydrophobicContact CG2-CG1 4.13Å; T1560-V1575 WeakPolarHBondContact CA-O 3.16Å; K1561-V1575 PolarHBondContact N-O 2.78Å; K1561-V1575 PolarHBondContact O-N 3.09Å; F1563-V1575 HydrophobicContact CZ-CG2 3.97Å; V1575-V1577 HydrophobicContact CG1-CG2 4.16Å; V1575-I1675 HydrophobicContact CB-CD1 4.34Å; V1575-I1675 HydrophobicContact CG1-CD1 3.82Å; V1575-I1675 HydrophobicContact CG2-CD1 4.02Å |
| 1576 | G | 81.6 | Confident | 66.5 | Low | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 123.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | T1522 | T1522-G1576 PolarHBondContact N-O 3.04Å; T1522-G1576 WeakPolarHBondContact O-CA 3.36Å; T1522-G1576 PolarHBondContact O-N 3.36Å; T1522-G1576 VanDerWaalsContact O-O 3.09Å |
| 1577 | V | 81.5 | Confident | 67.3 | Low | 46 Ų | 46 | 55.6 Ų | 55.6 | 28% | 0.279 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 117.4 | 174.4 | -177.6 | 0 | 0 | 0 | 0 | 108.4 | T1519 A1559 V1575 | T1519-V1577 HydrophobicContact CG2-CG1 3.77Å; A1559-V1577 PolarHBondContact N-O 3.35Å; A1559-V1577 PolarHBondContact O-N 3.24Å; V1575-V1577 HydrophobicContact CG1-CG2 4.16Å |
| 1578 | I | 84.2 | Confident | 67.7 | Low | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 129.2 | 178.8 | -60.5 | 173.7 | 0 | 0 | 0 | 107.9 | I1492 T1519 V1520 T1522 V1527 V1537 I1555 L1580 | I1492-I1578 HydrophobicContact CD1-CD1 3.66Å; I1492-I1578 HydrophobicContact CG1-CD1 3.98Å; T1519-I1578 WeakPolarHBondContact CA-O 3.29Å; V1520-I1578 HydrophobicContact CB-CB 4.15Å; V1520-I1578 PolarHBondContact N-O 3.39Å; V1520-I1578 PolarHBondContact O-N 3.27Å; T1522-I1578 HydrophobicContact CG2-CD1 3.88Å; T1522-I1578 HydrophobicContact CG2-CG1 4.25Å; V1527-I1578 HydrophobicContact CG1-CD1 3.84Å; V1527-I1578 HydrophobicContact CG1-CG1 4.43Å; V1527-I1578 HydrophobicContact CG2-CG1 4.42Å; V1537-I1578 HydrophobicContact CG2-CD1 4.35Å; V1537-I1578 HydrophobicContact CG2-CG2 3.95Å; I1555-I1578 HydrophobicContact CB-CG2 4.25Å; I1555-I1578 HydrophobicContact CD1-CD1 4.5Å; I1555-I1578 HydrophobicContact CD1-CG2 3.66Å; I1555-I1578 HydrophobicContact CG1-CG2 3.62Å; I1555-I1578 HydrophobicContact CG2-CG2 3.65Å; I1578-L1580 HydrophobicContact CG2-CD2 4.37Å |
| 1579 | K | 77.9 | Confident | 67.7 | Low | 22 Ų | 22 | 65 Ų | 65 | 10% | 0.096 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 124.2 | 172.2 | -60.2 | -77.3 | -170.7 | 171.3 | 0 | 110.4 | R1518 T1519 Y1556 L1557 | R1518-K1579 CarbonylContact O-C 3.57Å; R1518-K1579 VanDerWaalsContact O-CA 3.29Å; R1518-K1579 WeakPolarHBondContact O-CA 3.29Å; T1519-K1579 HydrophobicContact CG2-CD 4.29Å; T1519-K1579 PolarHBondContact OG1-NZ 2.84Å; Y1556-K1579 HydrophobicContact CD1-CB 4.06Å; Y1556-K1579 VanDerWaalsContact CD1-O 3.29Å; Y1556-K1579 WeakPolarHBondContact CD1-O 3.44Å; Y1556-K1579 HydrophobicContact CE1-CB 3.35Å; Y1556-K1579 HydrophobicContact CE1-CG 4.47Å; Y1556-K1579 HydrophobicContact CE2-CB 4.45Å; Y1556-K1579 PolarHBondContact N-O 2.92Å; L1557-K1579 HydrophobicContact CB-CB 4.17Å; L1557-K1579 HydrophobicContact CD2-CG 4.3Å; L1557-K1579 PolarHBondContact N-O 3.33Å; L1557-K1579 PolarHBondContact O-N 3.27Å |
| 1580 | L | 80.9 | Confident | 68 | Low | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 144.7 | -178.7 | -57.8 | -179.8 | 0 | 0 | 0 | 111.5 | F1508 R1518 V1520 V1537 L1553 I1555 Y1556 I1578 K1582 V1584 | F1508-L1580 HydrophobicContact CE1-CD1 3.83Å; R1518-L1580 PolarHBondContact O-N 3Å; V1520-L1580 HydrophobicContact CG2-CD1 4.31Å; V1520-L1580 HydrophobicContact CG2-CG 4.45Å; V1537-L1580 HydrophobicContact CB-CD2 3.89Å; V1537-L1580 HydrophobicContact CG2-CD2 3.75Å; L1553-L1580 HydrophobicContact CB-CD1 4.19Å; L1553-L1580 HydrophobicContact CB-CD2 4Å; L1553-L1580 HydrophobicContact CD1-CD1 3.98Å; I1555-L1580 HydrophobicContact CG1-CD2 4.37Å; Y1556-L1580 WeakPolarHBondContact CD1-O 3.35Å; Y1556-L1580 WeakPolarHBondContact CE1-O 3.34Å; I1578-L1580 HydrophobicContact CG2-CD2 4.37Å; L1580-K1582 VanDerWaalsContact C-N 3.26Å; L1580-K1582 WeakPolarHBondContact CB-O 3.43Å; L1580-K1582 PolarHBondContact O-N 3.37Å; L1580-V1584 HydrophobicContact CD1-CG2 3.9Å |
| 1581 | K | 68.8 | Low | 68.4 | Low | 123 Ų | 123 | 62.8 Ų | 62.8 | 54% | 0.535 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | -34.4 | 174.7 | -80.1 | -174.2 | -176.4 | -176.8 | 0 | 112.5 | P1554 I1555 | P1554-K1581 HydrophobicContact CB-CD 4.08Å; P1554-K1581 HydrophobicContact CG-CB 4.19Å; P1554-K1581 HydrophobicContact CG-CD 4.28Å; P1554-K1581 PolarHBondContact O-N 3.21Å; I1555-K1581 WeakPolarHBondContact O-CE 3.35Å |
| 1582 | K | 71.2 | Confident | 69.3 | Low | 153 Ų | 153 | 58.3 Ų | 58.3 | 67% | 0.665 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 138.3 | 179.7 | -67.2 | -173.9 | 177.7 | -175.4 | 0 | 109.5 | L1580 | L1580-K1582 VanDerWaalsContact C-N 3.26Å; L1580-K1582 WeakPolarHBondContact CB-O 3.43Å; L1580-K1582 PolarHBondContact O-N 3.37Å |
| 1583 | P | 69.4 | Low | 69.9 | Low | 26 Ų | 26 | 58.1 Ų | 58.1 | 17% | 0.169 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 151.5 | 173 | 22.7 | -20 | 0 | 0 | 0 | 111.1 | M1101 I1105 F1516 T1517 R1518 | M1101-P1583 HydrophobicContact CE-CG 4.26Å; I1105-P1583 HydrophobicContact CD1-CB 4.35Å; I1105-P1583 HydrophobicContact CD1-CG 3.26Å; I1105-P1583 HydrophobicContact CG1-CG 3.56Å; F1516-P1583 HydrophobicContact CB-CB 4.32Å; T1517-P1583 CarbonylContact O-C 3.6Å; T1517-P1583 VanDerWaalsContact O-CA 3.3Å; T1517-P1583 WeakPolarHBondContact O-CA 3.41Å; R1518-P1583 HydrophobicContact CG-CB 3.68Å; R1518-P1583 HydrophobicContact CG-CG 4.43Å |
| 1584 | V | 72.6 | Confident | 70.3 | Confident | 10 Ų | 10 | 59.6 Ų | 59.6 | 6% | 0.061 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 128.7 | 174.1 | -178.5 | 0 | 0 | 0 | 0 | 107.7 | F1508 F1516 T1517 L1553 L1580 | F1508-V1584 HydrophobicContact CE1-CB 4.38Å; F1508-V1584 HydrophobicContact CE1-CG2 4.13Å; F1508-V1584 HydrophobicContact CZ-CB 4.28Å; F1508-V1584 HydrophobicContact CZ-CG1 4.23Å; F1508-V1584 HydrophobicContact CZ-CG2 4.02Å; F1516-V1584 CarbonylContact C-O 3.48Å; F1516-V1584 WeakPolarHBondContact CA-O 3.49Å; T1517-V1584 PolarHBondContact N-O 3.47Å; T1517-V1584 PolarHBondContact O-N 3.27Å; L1553-V1584 HydrophobicContact CD1-CG2 3.74Å; L1553-V1584 HydrophobicContact CD2-CG2 3.84Å; L1553-V1584 HydrophobicContact CG-CG2 4.44Å; L1580-V1584 HydrophobicContact CD1-CG2 3.9Å |
| 1585 | S | 66.8 | Low | 70.3 | Confident | 104 Ų | 104 | 60.5 Ų | 60.5 | 73% | 0.727 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 133.4 | 175.2 | 54.7 | 0 | 0 | 0 | 0 | 111 | ||
| 1586 | I | 64.1 | Low | 69.6 | Low | 15 Ų | 15 | 65 Ų | 65 | 8% | 0.077 | 33% | 0.331 | C | S | . | . | trans | -121.8 | 136.6 | -175.4 | -72.4 | -175 | 0 | 0 | 0 | 108.4 | A1510 N1515 T1517 F1590 | A1510-I1586 HydrophobicContact CB-CD1 3.77Å; N1515-I1586 CarbonylContact C-O 3.56Å; N1515-I1586 PolarHBondContact O-N 2.85Å; T1517-I1586 VanDerWaalsContact CB-CD1 3.48Å; T1517-I1586 HydrophobicContact CG2-CD1 3.3Å; T1517-I1586 HydrophobicContact CG2-CG1 4.16Å; I1586-F1590 HydrophobicContact CG2-CB 3.64Å; I1586-F1590 HydrophobicContact CG2-CD1 4.07Å; I1586-F1590 HydrophobicContact CG2-CG 4.28Å; I1586-F1590 WeakPolarHBondContact CG2-O 3.41Å | ||
| 1587 | R | 61.8 | Low | 68.3 | Low | 214 Ų | 214 | 68.8 Ų | 68.8 | 81% | 0.808 | 35% | 0.354 | S | S | * | . | trans | -76.4 | 150.3 | 172.3 | -67.6 | -171.9 | 178.8 | -171.8 | 0.5 | 110.2 | G1589 F1590 | R1587-G1589 PolarHBondContact O-N 3.48Å; R1587-F1590 WeakPolarHBondContact O-CB 3.41Å; R1587-F1590 PolarHBondContact O-N 3.07Å | ||
| 1588 | R | 51.8 | Low | 67.2 | Low | 218 Ų | 218 | 73 Ų | 73 | 82% | 0.823 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | 132.1 | 173.9 | -80.4 | -175.9 | 174.8 | -179.8 | -1.8 | 110.7 | ||
| 1589 | G | 53.2 | Low | 66.5 | Low | 78 Ų | 78 | 73.9 Ų | 73.9 | 80% | 0.804 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.8 | 7.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | R1587 | R1587-G1589 PolarHBondContact O-N 3.48Š|
| 1590 | F | 56.8 | Low | 66.5 | Low | 63 Ų | 63 | 77.6 Ų | 77.6 | 28% | 0.276 | 39% | 0.388 | S | S | . | . | trans | -106.1 | 128.2 | -178.3 | -162.6 | -82.2 | 0 | 0 | 0 | 110.3 | V1486 P1488 I1586 R1587 | V1486-F1590 HydrophobicContact CB-CD2 4.49Å; V1486-F1590 HydrophobicContact CG1-CD2 3.52Å; V1486-F1590 HydrophobicContact CG1-CE2 3.45Å; V1486-F1590 VanDerWaalsContact CG1-CE2 3.45Å; V1486-F1590 HydrophobicContact CG1-CZ 4.46Å; P1488-F1590 HydrophobicContact CB-CD1 3.82Å; P1488-F1590 HydrophobicContact CB-CE1 3.37Å; P1488-F1590 HydrophobicContact CB-CZ 3.95Å; I1586-F1590 HydrophobicContact CG2-CB 3.64Å; I1586-F1590 HydrophobicContact CG2-CD1 4.07Å; I1586-F1590 HydrophobicContact CG2-CG 4.28Å; I1586-F1590 WeakPolarHBondContact CG2-O 3.41Å; R1587-F1590 WeakPolarHBondContact O-CB 3.41Å; R1587-F1590 PolarHBondContact O-N 3.07Å | ||
| 1591 | G | 61.9 | Low | 66.7 | Low | 20 Ų | 20 | 77.8 Ų | 77.8 | 21% | 0.206 | 39% | 0.39 | C | S | . | . | S | Bend | trans | 106.9 | 150.2 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 1592 | F | 72.8 | Confident | 67.2 | Low | 4 Ų | 4 | 74.5 Ų | 74.5 | 2% | 0.018 | 38% | 0.38 | C | S | . | . | B | Isolated β-bridge | trans | -98.3 | 141.6 | 179.6 | -55.3 | -56.6 | 0 | 0 | 0 | 111.6 | P1485 V1486 P1488 T1610 A1661 V1663 W1670 Q1672 | P1485-F1592 HydrophobicContact CB-CE1 3.91Å; P1485-F1592 HydrophobicContact CB-CZ 4.41Å; V1486-F1592 WeakPolarHBondContact O-CE1 3.26Å; V1486-F1592 VanDerWaalsContact O-CZ 3.31Å; V1486-F1592 WeakPolarHBondContact O-CZ 3.33Å; P1488-F1592 VanDerWaalsContact CD-CE2 3.42Å; P1488-F1592 VanDerWaalsContact CD-CZ 3.41Å; P1488-F1592 HydrophobicContact CG-CD2 4.13Å; P1488-F1592 HydrophobicContact CG-CE2 3.73Å; P1488-F1592 HydrophobicContact CG-CZ 4.11Å; F1592-T1610 HydrophobicContact CE1-CG2 4.49Å; F1592-T1610 HydrophobicContact CE2-CG2 4.09Å; F1592-T1610 WeakPolarHBondContact CE2-OG1 3.42Å; F1592-T1610 HydrophobicContact CZ-CG2 3.57Å; F1592-A1661 HydrophobicContact CD2-CB 4.21Å; F1592-A1661 HydrophobicContact CE2-CB 4.2Å; F1592-V1663 HydrophobicContact CB-CG1 4.23Å; F1592-V1663 HydrophobicContact CD1-CB 4.25Å; F1592-V1663 HydrophobicContact CD1-CG1 3.55Å; F1592-V1663 HydrophobicContact CD2-CG1 3.46Å; F1592-V1663 VanDerWaalsContact CD2-CG1 3.46Å; F1592-V1663 HydrophobicContact CE1-CB 4.22Å; F1592-V1663 HydrophobicContact CE1-CG1 3.69Å; F1592-V1663 HydrophobicContact CE1-CG2 4.21Å; F1592-V1663 HydrophobicContact CE2-CG1 3.59Å; F1592-V1663 HydrophobicContact CG-CG1 3.45Å; F1592-V1663 VanDerWaalsContact CG-CG1 3.45Å; F1592-V1663 HydrophobicContact CZ-CB 4.49Å; F1592-V1663 HydrophobicContact CZ-CG1 3.72Å; F1592-V1663 HydrophobicContact CZ-CG2 4.26Å; F1592-W1670 HydrophobicContact CD1-CB 3.99Å; F1592-W1670 HydrophobicContact CE1-CB 4.34Å; F1592-Q1672 HydrophobicContact CB-CB 3.7Å; F1592-Q1672 HydrophobicContact CG-CB 4.38Å |
| 1593 | Q | 71.8 | Confident | 67.6 | Low | 69 Ų | 69 | 70.2 Ų | 70.2 | 32% | 0.322 | 36% | 0.362 | S | S | . | . | B | Isolated β-bridge | trans | -73.5 | 149.1 | 170.4 | -65 | -174.7 | 2.6 | 0 | 0 | 109.9 | V1669 W1670 I1671 Q1672 | Q1593-V1669 HydrophobicContact CG-CG1 4.23Å; Q1593-W1670 PolarHBondContact N-O 3.26Å; Q1593-I1671 HydrophobicContact CB-CG1 4.34Å; Q1593-I1671 CarbonylContact O-C 3.53Å; Q1593-I1671 WeakPolarHBondContact O-CA 3.23Å; Q1593-Q1672 PolarHBondContact O-N 2.94Å |
| 1594 | L | 75.4 | Confident | 68.1 | Low | 63 Ų | 63 | 76 Ų | 76 | 33% | 0.33 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -89.6 | 141.8 | 169 | -76 | 171.3 | 0 | 0 | 0 | 109.2 | Y1509 I1521 T1704 | Y1509-L1594 HydrophobicContact CD2-CD1 3.74Å; Y1509-L1594 HydrophobicContact CD2-CG 3.7Å; Y1509-L1594 HydrophobicContact CE2-CB 3.97Å; Y1509-L1594 HydrophobicContact CE2-CD1 3.43Å; Y1509-L1594 VanDerWaalsContact CE2-CD1 3.43Å; Y1509-L1594 HydrophobicContact CE2-CG 3.45Å; Y1509-L1594 VanDerWaalsContact CE2-CG 3.45Å; Y1509-L1594 HydrophobicContact CG-CD1 4.46Å; I1521-L1594 HydrophobicContact CD1-CD1 3.87Å; I1521-L1594 HydrophobicContact CD1-CD2 3.94Å; I1521-L1594 HydrophobicContact CD1-CG 4.18Å; L1594-T1704 HydrophobicContact CD2-CG2 4.02Å |
| 1595 | P | 72.4 | Confident | 68.5 | Low | 18 Ų | 18 | 78.9 Ų | 78.9 | 12% | 0.117 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 150.5 | 176.7 | 26.4 | -33.5 | 0 | 0 | 0 | 111.1 | D1599 I1671 Q1672 Y1673 T1704 Q1705 | P1595-D1599 HydrophobicContact CB-CB 4.05Å; P1595-I1671 HydrophobicContact CB-CG2 3.79Å; P1595-I1671 HydrophobicContact CG-CG2 4.2Å; P1595-Q1672 WeakPolarHBondContact CD-O 3.41Å; P1595-Y1673 HydrophobicContact CB-CD1 3.92Å; P1595-Y1673 HydrophobicContact CB-CE1 3.76Å; P1595-Y1673 HydrophobicContact CG-CD1 4.03Å; P1595-Y1673 HydrophobicContact CG-CE1 4.38Å; P1595-T1704 WeakPolarHBondContact CG-OG1 3.45Å; P1595-Q1705 HydrophobicContact CB-CG 4.32Å; P1595-Q1705 VanDerWaalsContact CG-CD 3.47Å; P1595-Q1705 HydrophobicContact CG-CG 3.76Å |
| 1596 | D | 63.8 | Low | 69.3 | Low | 118 Ų | 118 | 76.4 Ų | 76.4 | 63% | 0.631 | 38% | 0.375 | S | S | * | . | P | Polyproline II helix | trans | -65.6 | 163.1 | 169.3 | -73.8 | -42.7 | 0 | 0 | 0 | 111.4 | F1598 D1599 | D1596-F1598 PolarHBondContact O-N 2.95Å; D1596-D1599 HydrophobicContact CB-CB 4.26Å; D1596-D1599 PolarHBondContact O-N 3.16Å |
| 1597 | T | 55.8 | Low | 70.6 | Confident | 80 Ų | 80 | 75.9 Ų | 75.9 | 49% | 0.491 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -24.1 | -172.5 | -38.8 | 0 | 0 | 0 | 0 | 114.9 | V1708 | T1597-V1708 HydrophobicContact CG2-CG2 4.31Š|
| 1598 | F | 58.5 | Low | 71.8 | Confident | 134 Ų | 134 | 66.3 Ų | 66.3 | 59% | 0.588 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.1 | 8.1 | -178.8 | -59.2 | -71.2 | 0 | 0 | 0 | 114 | D1596 Y1600 | D1596-F1598 PolarHBondContact O-N 2.95Å; F1598-Y1600 WeakPolarHBondContact O-CD2 3.3Å |
| 1599 | D | 69.3 | Low | 73.5 | Confident | 19 Ų | 19 | 56 Ų | 56 | 10% | 0.102 | 30% | 0.297 | C | S | . | . | trans | -91.2 | 114.9 | 179.4 | -177.5 | 6.8 | 0 | 0 | 0 | 109.1 | P1595 D1596 R1666 Y1673 Q1705 | P1595-D1599 HydrophobicContact CB-CB 4.05Å; D1596-D1599 HydrophobicContact CB-CB 4.26Å; D1596-D1599 PolarHBondContact O-N 3.16Å; D1599-R1666 IonicContact OD1-NH1 3.74Å; D1599-R1666 IonicContact OD2-CZ 2.74Å; D1599-R1666 IonicContact OD2-NE 3.01Å; D1599-R1666 IonicContact OD2-NH1 3.58Å; D1599-R1666 PolarHBondContact OD2-NH1 2.85Å; D1599-R1666 IonicContact OD2-NH2 3.6Å; D1599-R1666 PolarHBondContact OD2-NH2 3.25Å; D1599-Y1673 VanDerWaalsContact CG-OH 3.23Å; D1599-Y1673 WeakPolarHBondContact O-CE1 3.32Å; D1599-Y1673 WeakPolarHBondContact OD1-CE1 3.45Å; D1599-Y1673 PolarHBondContact OD1-OH 2.77Å; D1599-Y1673 PolarHBondContact OD2-OH 2.7Å; D1599-Q1705 PolarHBondContact O-NE2 3.14Å | ||
| 1600 | Y | 77.8 | Confident | 74.9 | Confident | 99 Ų | 99 | 52.2 Ų | 52.2 | 39% | 0.388 | 26% | 0.259 | S | S | . | . | trans | -122.6 | 137.4 | -177.5 | -63 | -84.4 | 0 | 0 | 0 | 110.9 | F1598 Y1645 K1703 | F1598-Y1600 WeakPolarHBondContact O-CD2 3.3Å; Y1600-Y1645 VanDerWaalsContact CA-OH 3.29Å; Y1600-Y1645 WeakPolarHBondContact CA-OH 3.47Å; Y1600-Y1645 WeakPolarHBondContact CB-OH 3.41Å; Y1600-Y1645 WeakPolarHBondContact CD1-OH 3.29Å; Y1600-K1703 HydrophobicContact CD1-CD 4.25Å; Y1600-K1703 HydrophobicContact CE1-CD 4.26Å | ||
| 1601 | A | 83.6 | Confident | 75.9 | Confident | 6 Ų | 6 | 49.3 Ų | 49.3 | 5% | 0.05 | 25% | 0.246 | C | C | . | . | trans | -66.5 | 140.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111 | Y1605 I1625 Y1645 Y1673 | A1601-Y1605 HydrophobicContact CB-CD2 4.06Å; A1601-I1625 HydrophobicContact CB-CD1 3.35Å; A1601-Y1645 HydrophobicContact CB-CE1 4.31Å; A1601-Y1645 PolarHBondContact N-OH 3.35Å; A1601-Y1645 VanDerWaalsContact O-CE1 3.26Å; A1601-Y1645 WeakPolarHBondContact O-CE1 3.44Å; A1601-Y1673 HydrophobicContact CB-CD1 3.8Å; A1601-Y1673 HydrophobicContact CB-CD2 3.83Å; A1601-Y1673 HydrophobicContact CB-CE1 4.24Å; A1601-Y1673 HydrophobicContact CB-CE2 4.24Å; A1601-Y1673 HydrophobicContact CB-CG 3.57Å; A1601-Y1673 VanDerWaalsContact N-CE1 3.29Å | ||
| 1602 | T | 80.4 | Confident | 76.4 | Confident | 54 Ų | 54 | 49.1 Ų | 49.1 | 33% | 0.331 | 24% | 0.241 | S | C | . | . | trans | -119.5 | 169.1 | 177.3 | 63.3 | 0 | 0 | 0 | 0 | 109.8 | Y1604 Y1605 | T1602-Y1604 PolarHBondContact O-N 3.47Å; T1602-Y1604 VanDerWaalsContact O-N 3.12Å; T1602-Y1605 PolarHBondContact O-N 2.89Å; T1602-Y1605 VanDerWaalsContact O-N 3.14Å | ||
| 1603 | H | 79.1 | Confident | 76.2 | Confident | 62 Ų | 62 | 49.1 Ų | 49.1 | 29% | 0.287 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -11.6 | 177.5 | 62.2 | -74.2 | 0 | 0 | 0 | 114 | Y1605 I1625 | H1603-Y1605 VanDerWaalsContact C-N 3.33Å; H1603-I1625 WeakPolarHBondContact CA-O 3.32Å; H1603-I1625 WeakPolarHBondContact CB-O 3.16Å |
| 1604 | Y | 79.7 | Confident | 75.8 | Confident | 149 Ų | 149 | 51.5 Ų | 51.5 | 58% | 0.584 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -10.3 | 175.3 | -57.8 | -75.8 | 0 | 0 | 0 | 113.7 | L1457 T1602 | L1457-Y1604 HydrophobicContact CD1-CD1 3.62Å; L1457-Y1604 HydrophobicContact CD1-CE1 4.22Å; T1602-Y1604 PolarHBondContact O-N 3.47Å; T1602-Y1604 VanDerWaalsContact O-N 3.12Å |
| 1605 | Y | 82.2 | Confident | 75.1 | Confident | 70 Ų | 70 | 52.6 Ų | 52.6 | 28% | 0.275 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -88.2 | 140.8 | -174.8 | -71 | -0.3 | 0 | 0 | 0 | 112.3 | A1601 T1602 H1603 C1607 C1664 Y1673 | A1601-Y1605 HydrophobicContact CB-CD2 4.06Å; T1602-Y1605 PolarHBondContact O-N 2.89Å; T1602-Y1605 VanDerWaalsContact O-N 3.14Å; H1603-Y1605 VanDerWaalsContact C-N 3.33Å; Y1605-C1607 PolarHBondContact O-N 3.08Å; Y1605-C1607 VanDerWaalsContact O-N 3.14Å; Y1605-C1664 HydrophobicContact CD2-CB 4.12Å; Y1605-Y1673 HydrophobicContact CD2-CE2 4.39Å; Y1605-Y1673 HydrophobicContact CE2-CE2 4.4Å |
| 1606 | S | 83.9 | Confident | 74.2 | Confident | 52 Ų | 52 | 58.7 Ų | 58.7 | 36% | 0.364 | 28% | 0.277 | S | S | . | . | trans | -75.2 | 101.2 | 168.9 | -49.8 | 0 | 0 | 0 | 0 | 109.3 | C1664 R1665 | S1606-C1664 WeakPolarHBondContact O-CA 3.35Å; S1606-R1665 PolarHBondContact O-N 3.32Å | ||
| 1607 | C | 90.6 | Very high | 74 | Confident | 3 Ų | 3 | 57.2 Ų | 57.2 | 2% | 0.02 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 149.2 | -175.2 | -60.4 | 0 | 0 | 0 | 0 | 112.4 | Y1605 V1623 I1625 L1662 V1663 C1664 | Y1605-C1607 PolarHBondContact O-N 3.08Å; Y1605-C1607 VanDerWaalsContact O-N 3.14Å; C1607-V1623 HydrophobicContact CB-CG2 3.88Å; C1607-V1623 PolarHBondContact O-N 3.26Å; C1607-I1625 HydrophobicContact CB-CD1 4.43Å; C1607-I1625 HydrophobicContact CB-CG1 4.46Å; C1607-I1625 WeakPolarHBondContact SG-CD1 3.3Å; C1607-L1662 HydrophobicContact CB-CD1 4.24Å; C1607-V1663 CarbonylContact C-O 3.57Å; C1607-V1663 VanDerWaalsContact CA-O 3.24Å; C1607-V1663 WeakPolarHBondContact CA-O 3.43Å; C1607-C1664 HydrophobicContact CB-CB 4.12Å; C1607-C1664 WeakPolarHBondContact CB-SG 3.2Å; C1607-C1664 WeakPolarHBondContact SG-CB 3.45Å; C1607-C1664 CovalentContact SG-SG 2.04Å; C1607-C1664 PolarHBondContact SG-SG 3.2Å |
| 1608 | F | 87.5 | Confident | 74.5 | Confident | 14 Ų | 14 | 55.2 Ų | 55.2 | 6% | 0.061 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 149.2 | 179.7 | -60.1 | -95.8 | 0 | 0 | 0 | 109.5 | Y1484 P1485 I1620 V1621 P1622 V1663 W1670 | Y1484-F1608 AromaticContact CD1-CE1 3.98Å; Y1484-F1608 HydrophobicContact CD1-CE1 3.98Å; Y1484-F1608 HydrophobicContact CD1-CZ 4.07Å; Y1484-F1608 AromaticContact CE1-CE1 3.96Å; Y1484-F1608 HydrophobicContact CE1-CE1 3.96Å; Y1484-F1608 HydrophobicContact CE1-CZ 4.07Å; P1485-F1608 HydrophobicContact CG-CB 4.14Å; P1485-F1608 HydrophobicContact CG-CD2 4.22Å; P1485-F1608 HydrophobicContact CG-CG 4.2Å; F1608-I1620 HydrophobicContact CD1-CB 4.48Å; F1608-I1620 HydrophobicContact CD1-CD1 4.3Å; F1608-V1621 CarbonylContact C-O 3.54Å; F1608-V1621 VanDerWaalsContact CA-O 3.23Å; F1608-V1621 WeakPolarHBondContact CA-O 3.37Å; F1608-P1622 HydrophobicContact CD1-CB 4.04Å; F1608-P1622 HydrophobicContact CE1-CB 3.88Å; F1608-V1663 HydrophobicContact CB-CG2 4.12Å; F1608-V1663 PolarHBondContact N-O 3.16Å; F1608-V1663 WeakPolarHBondContact O-CG2 3.5Å; F1608-V1663 PolarHBondContact O-N 2.73Å; F1608-W1670 AromaticContact CD2-CH2 3.68Å; F1608-W1670 HydrophobicContact CD2-CH2 3.68Å; F1608-W1670 AromaticContact CD2-CZ3 3.58Å; F1608-W1670 HydrophobicContact CD2-CZ3 3.58Å; F1608-W1670 AromaticContact CE2-CH2 3.54Å; F1608-W1670 HydrophobicContact CE2-CH2 3.54Å; F1608-W1670 AromaticContact CE2-CZ3 3.87Å; F1608-W1670 HydrophobicContact CE2-CZ3 3.87Å |
| 1609 | V | 87.9 | Confident | 75.2 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 132.7 | 163.6 | -169.6 | 0 | 0 | 0 | 0 | 108.1 | I1620 V1621 V1623 M1649 M1654 M1657 A1660 A1661 L1662 F1701 | V1609-I1620 CarbonylContact O-C 3.49Å; V1609-I1620 WeakPolarHBondContact O-CA 3.2Å; V1609-V1621 PolarHBondContact N-O 3.48Å; V1609-V1621 PolarHBondContact O-N 3.31Å; V1609-V1623 HydrophobicContact CG2-CB 4.45Å; V1609-V1623 HydrophobicContact CG2-CG1 3.58Å; V1609-V1623 HydrophobicContact CG2-CG2 4.03Å; V1609-M1649 HydrophobicContact CG2-CE 4.45Å; V1609-M1654 HydrophobicContact CB-CE 3.71Å; V1609-M1654 HydrophobicContact CG1-CE 3.65Å; V1609-M1654 WeakPolarHBondContact O-CE 3.44Å; V1609-M1657 HydrophobicContact CB-CE 4.14Å; V1609-M1657 HydrophobicContact CG1-CE 3.68Å; V1609-M1657 HydrophobicContact CG1-SD 4.21Å; V1609-M1657 HydrophobicContact CG2-CE 4.4Å; V1609-A1660 HydrophobicContact CG1-CB 3.77Å; V1609-A1661 WeakPolarHBondContact CA-O 3.42Å; V1609-L1662 HydrophobicContact CG2-CD1 4.26Å; V1609-F1701 HydrophobicContact CG1-CE1 4.27Å; V1609-F1701 HydrophobicContact CG2-CE1 3.48Å; V1609-F1701 VanDerWaalsContact CG2-CE1 3.48Å; V1609-F1701 HydrophobicContact CG2-CZ 3.42Å; V1609-F1701 VanDerWaalsContact CG2-CZ 3.42Å |
| 1610 | T | 81.8 | Confident | 75.7 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 133.6 | -179.6 | 60.2 | 0 | 0 | 0 | 0 | 110.3 | P1485 S1489 F1592 I1620 A1661 V1663 | P1485-T1610 HydrophobicContact CB-CG2 4.49Å; P1485-T1610 HydrophobicContact CG-CG2 4.33Å; S1489-T1610 PolarHBondContact OG-O 3.43Å; F1592-T1610 HydrophobicContact CE1-CG2 4.49Å; F1592-T1610 HydrophobicContact CE2-CG2 4.09Å; F1592-T1610 WeakPolarHBondContact CE2-OG1 3.42Å; F1592-T1610 HydrophobicContact CZ-CG2 3.57Å; T1610-I1620 HydrophobicContact CG2-CG2 3.8Å; T1610-A1661 PolarHBondContact N-O 2.87Å; T1610-A1661 PolarHBondContact OG1-O 3.19Å; T1610-V1663 HydrophobicContact CG2-CG2 3.62Å |
| 1611 | G | 78 | Confident | 75.8 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.1 | -156.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S1487 A1619 M1654 | S1487-G1611 PolarHBondContact OG-O 2.97Å; G1611-A1619 PolarHBondContact N-O 3.47Å; G1611-A1619 PolarHBondContact O-N 3.33Å; G1611-A1619 VanDerWaalsContact O-O 3.09Å; G1611-M1654 WeakPolarHBondContact CA-SD 3.32Å; G1611-M1654 PolarHBondContact N-SD 3.31Å; G1611-M1654 VanDerWaalsContact N-SD 3.42Å |
| 1612 | V | 71.3 | Confident | 75.8 | Confident | 17 Ų | 17 | 43.5 Ų | 43.5 | 10% | 0.103 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 129.3 | -179.6 | -171.9 | 0 | 0 | 0 | 0 | 107.4 | L1655 | V1612-L1655 PolarHBondContact O-N 3.3Å; V1612-L1655 VanDerWaalsContact O-N 3.12Å |
| 1613 | C | 70 | Confident | 76.1 | Confident | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.02 | 19% | 0.194 | C | C | . | . | trans | -87.5 | 176.5 | 179.6 | 66.6 | 0 | 0 | 0 | 0 | 112.7 | H1474 H1476 H1615 R1616 M1617 A1619 | H1474-C1613 VanDerWaalsContact CD2-CB 3.47Å; H1474-C1613 WeakPolarHBondContact CD2-CB 3.42Å; H1474-C1613 WeakPolarHBondContact NE2-CB 3.33Å; H1474-C1613 PolarHBondContact NE2-SG 3.02Å; H1476-C1613 PolarHBondContact CE1-SG 3Å; C1613-H1615 VanDerWaalsContact C-N 3.27Å; C1613-H1615 PolarHBondContact O-N 3.42Å; C1613-R1616 PolarHBondContact O-N 3.43Å; C1613-M1617 PolarHBondContact N-O 3.05Å; C1613-M1617 VanDerWaalsContact N-O 3.17Å; C1613-M1617 PolarHBondContact SG-O 3.18Å; C1613-M1617 VanDerWaalsContact SG-O 3.38Å; C1613-A1619 HydrophobicContact CB-CB 3.64Å | ||
| 1614 | E | 62.8 | Low | 76.5 | Confident | 120 Ų | 120 | 42.1 Ų | 42.1 | 56% | 0.561 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -31.1 | 174.7 | 62.6 | -169.7 | 152.8 | 0 | 0 | 113.6 | R1616 | E1614-R1616 PolarHBondContact O-N 2.8Å; E1614-R1616 VanDerWaalsContact O-N 3.15Å |
| 1615 | H | 59.9 | Low | 76.9 | Confident | 86 Ų | 86 | 35.4 Ų | 35.4 | 40% | 0.398 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | 8.9 | 177.4 | -51.2 | 121.7 | 0 | 0 | 0 | 114.5 | D1472 H1474 H1476 C1613 | D1472-H1615 IonicContact OD1-CE1 3.88Å; D1472-H1615 PolarHBondContact OD1-CE1 2.99Å; D1472-H1615 VanDerWaalsContact OD1-CE1 3.27Å; D1472-H1615 IonicContact OD2-CE1 2.78Å; D1472-H1615 PolarHBondContact OD2-CE1 2.92Å; D1472-H1615 IonicContact OD2-ND1 2.76Å; D1472-H1615 PolarHBondContact OD2-ND1 3.26Å; H1474-H1615 AromaticContact CE1-CE1 3.83Å; H1474-H1615 AromaticContact CE1-ND1 3.47Å; H1474-H1615 PolarHBondContact CE1-ND1 2.9Å; H1474-H1615 AromaticContact NE2-ND1 3.39Å; H1474-H1615 PolarHBondContact NE2-ND1 3.22Å; H1476-H1615 AromaticContact NE2-ND1 3.95Å; C1613-H1615 VanDerWaalsContact C-N 3.27Å; C1613-H1615 PolarHBondContact O-N 3.42Å |
| 1616 | R | 53.7 | Low | 77.2 | Confident | 146 Ų | 146 | 32.4 Ų | 32.4 | 55% | 0.551 | 16% | 0.16 | S | C | * | . | S | Bend | trans | 76.8 | 19.6 | 168.3 | -46.9 | 164.9 | -176.1 | 167 | 2.5 | 115.1 | C1613 E1614 | C1613-R1616 PolarHBondContact O-N 3.43Å; E1614-R1616 PolarHBondContact O-N 2.8Å; E1614-R1616 VanDerWaalsContact O-N 3.15Å |
| 1617 | M | 60.8 | Low | 77.3 | Confident | 86 Ų | 86 | 32.2 Ų | 32.2 | 42% | 0.424 | 16% | 0.157 | S | C | . | . | S | Bend | trans | -122.1 | 156.8 | -179.3 | -68.1 | -72 | -80.7 | 0 | 0 | 111.5 | S1478 C1613 A1619 | S1478-M1617 WeakPolarHBondContact OG-CE 3.33Å; C1613-M1617 PolarHBondContact N-O 3.05Å; C1613-M1617 VanDerWaalsContact N-O 3.17Å; C1613-M1617 PolarHBondContact SG-O 3.18Å; C1613-M1617 VanDerWaalsContact SG-O 3.38Å; M1617-A1619 PolarHBondContact O-N 3.09Å |
| 1618 | S | 66.7 | Low | 77 | Confident | 39 Ų | 39 | 35.9 Ų | 35.9 | 27% | 0.273 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 124.8 | 168.4 | -120 | 0 | 0 | 0 | 0 | 108.8 | V1477 S1487 | V1477-S1618 WeakPolarHBondContact CG2-O 3.12Å; V1477-S1618 PolarHBondContact N-O 3.01Å; V1477-S1618 VanDerWaalsContact N-O 3.14Å; S1487-S1618 WeakPolarHBondContact CB-OG 3.46Å; S1487-S1618 PolarHBondContact O-OG 3.33Å; S1487-S1618 PolarHBondContact OG-OG 3.05Å |
| 1619 | A | 72.8 | Confident | 76.6 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 155.1 | -177 | 0 | 0 | 0 | 0 | 0 | 110.7 | H1474 V1475 G1611 C1613 M1617 M1654 | H1474-A1619 HydrophobicContact CB-CB 4.17Å; V1475-A1619 WeakPolarHBondContact O-CA 3.38Å; G1611-A1619 PolarHBondContact N-O 3.47Å; G1611-A1619 PolarHBondContact O-N 3.33Å; G1611-A1619 VanDerWaalsContact O-O 3.09Å; C1613-A1619 HydrophobicContact CB-CB 3.64Å; M1617-A1619 PolarHBondContact O-N 3.09Å; A1619-M1654 HydrophobicContact CB-CG 4.5Å |
| 1620 | I | 78.2 | Confident | 76.5 | Confident | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.015 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 140.9 | 173.6 | 58.7 | 177.9 | 0 | 0 | 0 | 109.2 | V1475 V1477 Y1484 P1485 F1608 V1609 T1610 | V1475-I1620 HydrophobicContact CB-CG1 3.96Å; V1475-I1620 PolarHBondContact N-O 3.31Å; V1475-I1620 PolarHBondContact O-N 3.26Å; V1477-I1620 HydrophobicContact CG2-CG2 3.98Å; Y1484-I1620 HydrophobicContact CD1-CD1 3.48Å; Y1484-I1620 VanDerWaalsContact CD1-CD1 3.48Å; Y1484-I1620 HydrophobicContact CE1-CD1 4.36Å; Y1484-I1620 HydrophobicContact CG-CD1 3.9Å; P1485-I1620 HydrophobicContact CG-CG2 4.26Å; F1608-I1620 HydrophobicContact CD1-CB 4.48Å; F1608-I1620 HydrophobicContact CD1-CD1 4.3Å; V1609-I1620 CarbonylContact O-C 3.49Å; V1609-I1620 WeakPolarHBondContact O-CA 3.2Å; T1610-I1620 HydrophobicContact CG2-CG2 3.8Å |
| 1621 | V | 80.9 | Confident | 76.6 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 117.6 | 178.7 | 177.9 | 0 | 0 | 0 | 0 | 107.7 | H1474 F1608 V1609 V1623 M1649 A1653 M1654 | H1474-V1621 HydrophobicContact CB-CG2 3.73Å; F1608-V1621 CarbonylContact C-O 3.54Å; F1608-V1621 VanDerWaalsContact CA-O 3.23Å; F1608-V1621 WeakPolarHBondContact CA-O 3.37Å; V1609-V1621 PolarHBondContact N-O 3.48Å; V1609-V1621 PolarHBondContact O-N 3.31Å; V1621-V1623 HydrophobicContact CG1-CG1 4.3Å; V1621-M1649 HydrophobicContact CG1-CB 4.44Å; V1621-A1653 HydrophobicContact CB-CB 4.42Å; V1621-A1653 HydrophobicContact CG1-CB 3.91Å; V1621-A1653 HydrophobicContact CG2-CB 3.56Å; V1621-M1654 HydrophobicContact CB-CE 3.79Å; V1621-M1654 HydrophobicContact CG2-CE 3.32Å; V1621-M1654 HydrophobicContact CG2-CG 3.82Å; V1621-M1654 HydrophobicContact CG2-SD 4.08Å |
| 1622 | P | 83.5 | Confident | 76.8 | Confident | 8 Ų | 8 | 51.4 Ų | 51.4 | 5% | 0.052 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 136.2 | 175.1 | 26.9 | -31.3 | 0 | 0 | 0 | 109.6 | L1463 Y1464 F1608 | L1463-P1622 HydrophobicContact CB-CB 4.34Å; L1463-P1622 HydrophobicContact CD1-CB 4.48Å; Y1464-P1622 HydrophobicContact CD1-CG 4.36Å; Y1464-P1622 HydrophobicContact CE1-CG 3.71Å; Y1464-P1622 HydrophobicContact CE2-CG 4.23Å; F1608-P1622 HydrophobicContact CD1-CB 4.04Å; F1608-P1622 HydrophobicContact CE1-CB 3.88Å |
| 1623 | V | 87.2 | Confident | 77.3 | Confident | 11 Ų | 11 | 55 Ų | 55 | 7% | 0.067 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 143.2 | -178.2 | -62 | 0 | 0 | 0 | 0 | 111.1 | C1607 V1609 V1621 A1647 M1649 L1662 | C1607-V1623 HydrophobicContact CB-CG2 3.88Å; C1607-V1623 PolarHBondContact O-N 3.26Å; V1609-V1623 HydrophobicContact CG2-CB 4.45Å; V1609-V1623 HydrophobicContact CG2-CG1 3.58Å; V1609-V1623 HydrophobicContact CG2-CG2 4.03Å; V1621-V1623 HydrophobicContact CG1-CG1 4.3Å; V1623-A1647 HydrophobicContact CB-CB 4.21Å; V1623-M1649 HydrophobicContact CG1-CB 3.6Å; V1623-M1649 HydrophobicContact CG1-CE 4.09Å; V1623-L1662 HydrophobicContact CG2-CD1 3.5Å |
| 1624 | Q | 86.1 | Confident | 78 | Confident | 77 Ų | 77 | 56.4 Ų | 56.4 | 36% | 0.36 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 114.6 | 175.2 | -176.1 | 178 | -0.5 | 0 | 0 | 109.2 | I1460 L1626 A1647 L1648 | I1460-Q1624 HydrophobicContact CD1-CB 3.68Å; I1460-Q1624 HydrophobicContact CG1-CB 4.15Å; Q1624-L1626 PolarHBondContact O-N 2.82Å; Q1624-A1647 CarbonylContact O-C 3.58Å; Q1624-A1647 WeakPolarHBondContact O-CA 3.34Å; Q1624-A1647 VanDerWaalsContact O-CB 3.3Å; Q1624-A1647 WeakPolarHBondContact O-CB 3.48Å; Q1624-L1648 PolarHBondContact N-O 3.41Å; Q1624-L1648 VanDerWaalsContact N-O 3.13Å; Q1624-L1648 PolarHBondContact O-N 2.87Å |
| 1625 | I | 88.8 | Confident | 78.9 | Confident | 7 Ų | 7 | 50.8 Ų | 50.8 | 4% | 0.036 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 128.1 | 171.2 | -64.3 | 179 | 0 | 0 | 0 | 107.7 | A1601 H1603 C1607 Y1645 A1647 L1662 | A1601-I1625 HydrophobicContact CB-CD1 3.35Å; H1603-I1625 WeakPolarHBondContact CA-O 3.32Å; H1603-I1625 WeakPolarHBondContact CB-O 3.16Å; C1607-I1625 HydrophobicContact CB-CD1 4.43Å; C1607-I1625 HydrophobicContact CB-CG1 4.46Å; C1607-I1625 WeakPolarHBondContact SG-CD1 3.3Å; I1625-Y1645 HydrophobicContact CG2-CD1 4.32Å; I1625-A1647 HydrophobicContact CG1-CB 4.39Å; I1625-L1662 HydrophobicContact CD1-CD2 4.42Å |
| 1626 | L | 89 | Confident | 79.9 | Confident | 7 Ų | 7 | 55.2 Ų | 55.2 | 4% | 0.037 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -90.8 | 148.3 | 177.4 | -58.7 | 178.4 | 0 | 0 | 0 | 109.9 | Q1624 E1630 C1646 L1648 | Q1624-L1626 PolarHBondContact O-N 2.82Å; L1626-E1630 HydrophobicContact CD1-CG 4.49Å; L1626-C1646 PolarHBondContact N-O 3.31Å; L1626-L1648 HydrophobicContact CD1-CB 4.36Å; L1626-L1648 HydrophobicContact CD2-CB 4.22Å; L1626-L1648 HydrophobicContact CG-CB 4.39Å |
| 1627 | P | 86.5 | Confident | 80.8 | Confident | 49 Ų | 49 | 49.6 Ų | 49.6 | 32% | 0.318 | 25% | 0.253 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 151.7 | 172.5 | 24 | -30.3 | 0 | 0 | 0 | 111.2 | D1629 E1630 C1631 | P1627-D1629 VanDerWaalsContact C-N 3.26Å; P1627-D1629 PolarHBondContact O-N 2.55Å; P1627-D1629 VanDerWaalsContact O-N 3.17Å; P1627-E1630 WeakPolarHBondContact CD-OE2 3.37Å; P1627-E1630 HydrophobicContact CG-CB 3.95Å; P1627-E1630 PolarHBondContact O-N 3.12Å; P1627-E1630 VanDerWaalsContact O-N 3.09Å; P1627-C1631 PolarHBondContact O-N 3.38Å |
| 1628 | N | 82.8 | Confident | 81.4 | Confident | 79 Ų | 79 | 51.3 Ų | 51.3 | 42% | 0.422 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -56.6 | -37.6 | -171.6 | -69.4 | -29.2 | 0 | 0 | 0 | 113.6 | C1631 R1632 F1639 P1641 | N1628-C1631 PolarHBondContact O-N 2.86Å; N1628-R1632 WeakPolarHBondContact O-CB 3.4Å; N1628-R1632 PolarHBondContact O-N 2.78Å; N1628-F1639 HydrophobicContact CB-CE1 4.22Å; N1628-P1641 HydrophobicContact CB-CB 4.36Å |
| 1629 | D | 80 | Confident | 81.8 | Confident | 139 Ų | 139 | 49.9 Ų | 49.9 | 74% | 0.743 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -68.2 | -39 | -178.4 | -53.4 | -40.8 | 0 | 0 | 0 | 111.2 | P1627 R1632 S1633 | P1627-D1629 VanDerWaalsContact C-N 3.26Å; P1627-D1629 PolarHBondContact O-N 2.55Å; P1627-D1629 VanDerWaalsContact O-N 3.17Å; D1629-R1632 PolarHBondContact O-N 2.61Å; D1629-S1633 PolarHBondContact O-N 2.87Å |
| 1630 | E | 85.3 | Confident | 81.9 | Confident | 64 Ų | 64 | 52.7 Ų | 52.7 | 30% | 0.299 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -69.5 | -43.3 | 174.9 | -172 | 176.8 | 175.2 | 0 | 0 | 111.3 | L1626 P1627 R1632 S1633 R1634 | L1626-E1630 HydrophobicContact CD1-CG 4.49Å; P1627-E1630 WeakPolarHBondContact CD-OE2 3.37Å; P1627-E1630 HydrophobicContact CG-CB 3.95Å; P1627-E1630 PolarHBondContact O-N 3.12Å; P1627-E1630 VanDerWaalsContact O-N 3.09Å; E1630-R1632 VanDerWaalsContact C-N 3.26Å; E1630-R1632 PolarHBondContact O-N 2.81Å; E1630-S1633 PolarHBondContact O-N 2.87Å; E1630-R1634 HydrophobicContact CG-CG 4.27Å; E1630-R1634 WeakPolarHBondContact O-CG 3.5Å; E1630-R1634 PolarHBondContact O-N 2.76Å; E1630-R1634 IonicContact OE1-CZ 2.68Å; E1630-R1634 VanDerWaalsContact OE1-CZ 3.23Å; E1630-R1634 IonicContact OE1-NE 3.28Å; E1630-R1634 PolarHBondContact OE1-NE 3.16Å; E1630-R1634 IonicContact OE1-NH2 2.66Å; E1630-R1634 PolarHBondContact OE1-NH2 3.23Å |
| 1631 | C | 85.1 | Confident | 81.6 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -55.1 | -44 | 172.4 | -72.2 | 0 | 0 | 0 | 0 | 111.7 | P1627 N1628 L1635 F1639 C1646 | P1627-C1631 PolarHBondContact O-N 3.38Å; N1628-C1631 PolarHBondContact O-N 2.86Å; C1631-L1635 WeakPolarHBondContact O-CB 3.38Å; C1631-L1635 WeakPolarHBondContact O-CG 3.5Å; C1631-L1635 PolarHBondContact O-N 2.9Å; C1631-F1639 HydrophobicContact CB-CD1 3.5Å; C1631-F1639 VanDerWaalsContact CB-CD1 3.5Å; C1631-F1639 HydrophobicContact CB-CD2 4Å; C1631-F1639 HydrophobicContact CB-CE1 3.48Å; C1631-F1639 VanDerWaalsContact CB-CE1 3.48Å; C1631-F1639 HydrophobicContact CB-CE2 3.99Å; C1631-F1639 HydrophobicContact CB-CG 3.77Å; C1631-F1639 HydrophobicContact CB-CZ 3.74Å; C1631-C1646 WeakPolarHBondContact CA-SG 3.47Å; C1631-C1646 HydrophobicContact CB-CB 3.83Å; C1631-C1646 WeakPolarHBondContact CB-SG 3.38Å; C1631-C1646 WeakPolarHBondContact SG-CB 3.47Å; C1631-C1646 CovalentContact SG-SG 2.02Å; C1631-C1646 PolarHBondContact SG-SG 3.21Å |
| 1632 | R | 80.5 | Confident | 81 | Confident | 139 Ų | 139 | 58.9 Ų | 58.9 | 53% | 0.525 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.4 | -40.5 | 179.2 | -167.6 | 176.5 | -172.8 | 172.7 | 2.9 | 112 | N1628 D1629 E1630 R1636 G1637 | N1628-R1632 WeakPolarHBondContact O-CB 3.4Å; N1628-R1632 PolarHBondContact O-N 2.78Å; D1629-R1632 PolarHBondContact O-N 2.61Å; E1630-R1632 VanDerWaalsContact C-N 3.26Å; E1630-R1632 PolarHBondContact O-N 2.81Å; R1632-R1636 PolarHBondContact O-N 2.98Å; R1632-G1637 PolarHBondContact O-N 3.29Å |
| 1633 | S | 82.7 | Confident | 80.5 | Confident | 92 Ų | 92 | 59.4 Ų | 59.4 | 64% | 0.643 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -62.3 | -56.3 | 175 | -174.7 | 0 | 0 | 0 | 0 | 111.1 | D1629 E1630 L1635 R1636 | D1629-S1633 PolarHBondContact O-N 2.87Å; E1630-S1633 PolarHBondContact O-N 2.87Å; S1633-L1635 VanDerWaalsContact C-N 3.33Å; S1633-L1635 PolarHBondContact O-N 3.25Å; S1633-R1636 PolarHBondContact O-N 3.02Å |
| 1634 | R | 84.1 | Confident | 80.2 | Confident | 33 Ų | 33 | 59.9 Ų | 59.9 | 13% | 0.125 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66 | -32.4 | -175.4 | -65.4 | -175.8 | -179.9 | -97.4 | 5.5 | 113.3 | E1630 R1636 A1683 D1684 I1698 | E1630-R1634 HydrophobicContact CG-CG 4.27Å; E1630-R1634 WeakPolarHBondContact O-CG 3.5Å; E1630-R1634 PolarHBondContact O-N 2.76Å; E1630-R1634 IonicContact OE1-CZ 2.68Å; E1630-R1634 VanDerWaalsContact OE1-CZ 3.23Å; E1630-R1634 IonicContact OE1-NE 3.28Å; E1630-R1634 PolarHBondContact OE1-NE 3.16Å; E1630-R1634 IonicContact OE1-NH2 2.66Å; E1630-R1634 PolarHBondContact OE1-NH2 3.23Å; R1634-R1636 VanDerWaalsContact C-N 3.28Å; R1634-R1636 PolarHBondContact O-N 3.5Å; R1634-A1683 CarbonylContact O-C 3.54Å; R1634-A1683 WeakPolarHBondContact O-CA 3.47Å; R1634-D1684 PolarHBondContact NH1-O 3.24Å; R1634-D1684 PolarHBondContact O-N 3.42Å; R1634-I1698 HydrophobicContact CB-CD1 3.48Å; R1634-I1698 VanDerWaalsContact CB-CD1 3.48Å; R1634-I1698 VanDerWaalsContact CD-CD1 3.41Å; R1634-I1698 HydrophobicContact CG-CD1 4.05Å |
| 1635 | L | 82.3 | Confident | 80.3 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 15 | 176.2 | -61 | 177 | 0 | 0 | 0 | 113.2 | C1631 S1633 G1637 K1638 F1639 C1646 P1680 Y1682 A1683 I1698 | C1631-L1635 WeakPolarHBondContact O-CB 3.38Å; C1631-L1635 WeakPolarHBondContact O-CG 3.5Å; C1631-L1635 PolarHBondContact O-N 2.9Å; S1633-L1635 VanDerWaalsContact C-N 3.33Å; S1633-L1635 PolarHBondContact O-N 3.25Å; L1635-G1637 PolarHBondContact O-N 3.38Å; L1635-K1638 PolarHBondContact O-N 3.49Å; L1635-F1639 HydrophobicContact CB-CB 4.33Å; L1635-F1639 HydrophobicContact CD1-CB 3.95Å; L1635-F1639 HydrophobicContact CD1-CD2 3.75Å; L1635-F1639 HydrophobicContact CD1-CG 4.17Å; L1635-C1646 HydrophobicContact CD1-CB 4.06Å; L1635-P1680 HydrophobicContact CD2-CB 4.03Å; L1635-P1680 HydrophobicContact CD2-CG 3.79Å; L1635-Y1682 HydrophobicContact CB-CE2 4.34Å; L1635-Y1682 HydrophobicContact CD2-CE2 4.35Å; L1635-Y1682 WeakPolarHBondContact O-CE2 3.35Å; L1635-A1683 HydrophobicContact CD2-CB 3.81Å; L1635-I1698 HydrophobicContact CD2-CG2 4.21Å |
| 1636 | R | 80.5 | Confident | 80.3 | Confident | 179 Ų | 179 | 56.3 Ų | 56.3 | 68% | 0.675 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 42.2 | 176 | -56.1 | -175.8 | -179.9 | -168.3 | -1.3 | 113 | R1632 S1633 R1634 K1638 Y1682 | R1632-R1636 PolarHBondContact O-N 2.98Å; S1633-R1636 PolarHBondContact O-N 3.02Å; R1634-R1636 VanDerWaalsContact C-N 3.28Å; R1634-R1636 PolarHBondContact O-N 3.5Å; R1636-K1638 VanDerWaalsContact C-N 3.32Å; R1636-K1638 PolarHBondContact O-N 2.95Å; R1636-Y1682 PolarHBondContact NE-O 3.33Å |
| 1637 | G | 73.3 | Confident | 80.4 | Confident | 28 Ų | 28 | 56 Ų | 56 | 29% | 0.289 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | -6.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116 | R1632 L1635 F1639 | R1632-G1637 PolarHBondContact O-N 3.29Å; L1635-G1637 PolarHBondContact O-N 3.38Å; G1637-F1639 VanDerWaalsContact C-N 3.3Å; G1637-F1639 PolarHBondContact O-N 2.91Å |
| 1638 | K | 72.8 | Confident | 80.5 | Confident | 123 Ų | 123 | 54.2 Ų | 54.2 | 54% | 0.535 | 27% | 0.266 | S | S | . | . | trans | -90.4 | 57.1 | 179.7 | -63.2 | -178.8 | 179.1 | 176 | 0 | 111.9 | L1635 R1636 Y1682 | L1635-K1638 PolarHBondContact O-N 3.49Å; R1636-K1638 VanDerWaalsContact C-N 3.32Å; R1636-K1638 PolarHBondContact O-N 2.95Å; K1638-Y1682 HydrophobicContact CB-CE2 3.98Å; K1638-Y1682 HydrophobicContact CD-CE1 4.4Å; K1638-Y1682 HydrophobicContact CD-CE2 3.99Å | ||
| 1639 | F | 76.5 | Confident | 80.6 | Confident | 8 Ų | 8 | 50.5 Ų | 50.5 | 4% | 0.035 | 25% | 0.246 | C | C | . | . | trans | -133.4 | 132.1 | 178.7 | 179.3 | -114.8 | 0 | 0 | 0 | 111.2 | N1628 C1631 L1635 G1637 P1641 E1644 C1646 | N1628-F1639 HydrophobicContact CB-CE1 4.22Å; C1631-F1639 HydrophobicContact CB-CD1 3.5Å; C1631-F1639 VanDerWaalsContact CB-CD1 3.5Å; C1631-F1639 HydrophobicContact CB-CD2 4Å; C1631-F1639 HydrophobicContact CB-CE1 3.48Å; C1631-F1639 VanDerWaalsContact CB-CE1 3.48Å; C1631-F1639 HydrophobicContact CB-CE2 3.99Å; C1631-F1639 HydrophobicContact CB-CG 3.77Å; C1631-F1639 HydrophobicContact CB-CZ 3.74Å; L1635-F1639 HydrophobicContact CB-CB 4.33Å; L1635-F1639 HydrophobicContact CD1-CB 3.95Å; L1635-F1639 HydrophobicContact CD1-CD2 3.75Å; L1635-F1639 HydrophobicContact CD1-CG 4.17Å; G1637-F1639 VanDerWaalsContact C-N 3.3Å; G1637-F1639 PolarHBondContact O-N 2.91Å; F1639-P1641 HydrophobicContact CD1-CB 4.37Å; F1639-P1641 HydrophobicContact CE1-CB 3.73Å; F1639-P1641 HydrophobicContact CE1-CG 4.43Å; F1639-P1641 HydrophobicContact CZ-CB 4.31Å; F1639-P1641 WeakPolarHBondContact O-CD 3.31Å; F1639-E1644 VanDerWaalsContact CA-OE1 3.27Å; F1639-E1644 WeakPolarHBondContact CA-OE1 3.34Å; F1639-E1644 HydrophobicContact CD2-CG 3.86Å; F1639-E1644 WeakPolarHBondContact CD2-OE1 3.37Å; F1639-E1644 HydrophobicContact CE2-CB 4.37Å; F1639-E1644 HydrophobicContact CE2-CG 3.71Å; F1639-E1644 WeakPolarHBondContact CZ-O 3.48Å; F1639-C1646 HydrophobicContact CD2-CB 4.34Å; F1639-C1646 HydrophobicContact CE2-CB 3.96Å | ||
| 1640 | Y | 73.7 | Confident | 80.7 | Confident | 60 Ų | 60 | 45.1 Ų | 45.1 | 24% | 0.235 | 22% | 0.216 | C | C | . | . | trans | -116.1 | 84.7 | -176 | -58.1 | -87.6 | 0 | 0 | 0 | 110.7 | L1570 N1642 I1643 E1644 L1720 | L1570-Y1640 HydrophobicContact CD1-CE2 4.39Å; Y1640-N1642 PolarHBondContact O-N 2.93Å; Y1640-I1643 HydrophobicContact CG-CD1 4.4Å; Y1640-I1643 PolarHBondContact O-N 3.38Å; Y1640-E1644 WeakPolarHBondContact CD2-OE1 3.37Å; Y1640-E1644 PolarHBondContact N-OE1 2.95Å; Y1640-E1644 WeakPolarHBondContact O-CG 3.35Å; Y1640-E1644 PolarHBondContact O-N 3.07Å; Y1640-L1720 HydrophobicContact CE1-CD1 3.57Å; Y1640-L1720 HydrophobicContact CE1-CD2 4.33Å; Y1640-L1720 HydrophobicContact CE1-CG 4.17Å; Y1640-L1720 VanDerWaalsContact OH-CD1 3.32Å; Y1640-L1720 WeakPolarHBondContact OH-CD1 3.42Å | ||
| 1641 | P | 71.9 | Confident | 80.3 | Confident | 46 Ų | 46 | 46.8 Ų | 46.8 | 30% | 0.299 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -16.5 | -170.6 | 22.6 | -34.4 | 0 | 0 | 0 | 114.9 | N1628 F1639 K1703 | N1628-P1641 HydrophobicContact CB-CB 4.36Å; F1639-P1641 HydrophobicContact CD1-CB 4.37Å; F1639-P1641 HydrophobicContact CE1-CB 3.73Å; F1639-P1641 HydrophobicContact CE1-CG 4.43Å; F1639-P1641 HydrophobicContact CZ-CB 4.31Å; F1639-P1641 WeakPolarHBondContact O-CD 3.31Å; P1641-K1703 VanDerWaalsContact O-CE 3.24Å; P1641-K1703 WeakPolarHBondContact O-CE 3.37Å; P1641-K1703 PolarHBondContact O-NZ 3.15Å |
| 1642 | N | 68.3 | Low | 79.6 | Confident | 87 Ų | 87 | 52.6 Ų | 52.6 | 47% | 0.465 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -22.9 | 178.8 | -67 | -17.1 | 0 | 0 | 0 | 113.5 | Y1640 | Y1640-N1642 PolarHBondContact O-N 2.93Š|
| 1643 | I | 72.9 | Confident | 79 | Confident | 19 Ų | 19 | 46.3 Ų | 46.3 | 10% | 0.097 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.9 | -14.9 | -174.5 | 64.8 | 173.2 | 0 | 0 | 0 | 113.5 | Y1640 L1702 K1703 A1706 | Y1640-I1643 HydrophobicContact CG-CD1 4.4Å; Y1640-I1643 PolarHBondContact O-N 3.38Å; I1643-L1702 WeakPolarHBondContact O-CA 3.39Å; I1643-K1703 PolarHBondContact O-N 3.49Å; I1643-A1706 HydrophobicContact CB-CB 4.11Å; I1643-A1706 HydrophobicContact CG2-CB 4.02Å |
| 1644 | E | 82.2 | Confident | 78.5 | Confident | 20 Ų | 20 | 42.9 Ų | 42.9 | 9% | 0.093 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 151.3 | 179.3 | 50.8 | 176.3 | 179.6 | 0 | 0 | 113.4 | F1639 Y1640 S1700 F1701 K1703 | F1639-E1644 VanDerWaalsContact CA-OE1 3.27Å; F1639-E1644 WeakPolarHBondContact CA-OE1 3.34Å; F1639-E1644 HydrophobicContact CD2-CG 3.86Å; F1639-E1644 WeakPolarHBondContact CD2-OE1 3.37Å; F1639-E1644 HydrophobicContact CE2-CB 4.37Å; F1639-E1644 HydrophobicContact CE2-CG 3.71Å; F1639-E1644 WeakPolarHBondContact CZ-O 3.48Å; Y1640-E1644 WeakPolarHBondContact CD2-OE1 3.37Å; Y1640-E1644 PolarHBondContact N-OE1 2.95Å; Y1640-E1644 WeakPolarHBondContact O-CG 3.35Å; Y1640-E1644 PolarHBondContact O-N 3.07Å; E1644-S1700 PolarHBondContact OE2-OG 3.17Å; E1644-F1701 CarbonylContact C-O 3.55Å; E1644-F1701 WeakPolarHBondContact CA-O 3.5Å; E1644-F1701 WeakPolarHBondContact CB-O 3.24Å; E1644-K1703 VanDerWaalsContact O-CE 3.24Å; E1644-K1703 WeakPolarHBondContact O-CE 3.45Å |
| 1645 | Y | 88.1 | Confident | 77.8 | Confident | 8 Ų | 8 | 43.7 Ų | 43.7 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 148.1 | 160.6 | -64.5 | -72.7 | 0 | 0 | 0 | 108.5 | Y1600 A1601 I1625 L1662 F1701 K1703 | Y1600-Y1645 VanDerWaalsContact CA-OH 3.29Å; Y1600-Y1645 WeakPolarHBondContact CA-OH 3.47Å; Y1600-Y1645 WeakPolarHBondContact CB-OH 3.41Å; Y1600-Y1645 WeakPolarHBondContact CD1-OH 3.29Å; A1601-Y1645 HydrophobicContact CB-CE1 4.31Å; A1601-Y1645 PolarHBondContact N-OH 3.35Å; A1601-Y1645 VanDerWaalsContact O-CE1 3.26Å; A1601-Y1645 WeakPolarHBondContact O-CE1 3.44Å; I1625-Y1645 HydrophobicContact CG2-CD1 4.32Å; Y1645-L1662 HydrophobicContact CD2-CD2 4.16Å; Y1645-F1701 PolarHBondContact N-O 3.38Å; Y1645-F1701 PolarHBondContact O-N 3.47Å; Y1645-K1703 HydrophobicContact CD2-CD 4.37Å; Y1645-K1703 HydrophobicContact CD2-CG 3.68Å; Y1645-K1703 HydrophobicContact CE1-CD 4.44Å; Y1645-K1703 HydrophobicContact CE2-CB 4.34Å; Y1645-K1703 HydrophobicContact CE2-CD 3.96Å; Y1645-K1703 HydrophobicContact CE2-CG 3.51Å; Y1645-K1703 HydrophobicContact CG-CG 4.37Å |
| 1646 | C | 89 | Confident | 77.3 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.007 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 140.2 | 161.2 | 98.7 | 0 | 0 | 0 | 0 | 109.3 | L1626 C1631 L1635 F1639 I1698 G1699 | L1626-C1646 PolarHBondContact N-O 3.31Å; C1631-C1646 WeakPolarHBondContact CA-SG 3.47Å; C1631-C1646 HydrophobicContact CB-CB 3.83Å; C1631-C1646 WeakPolarHBondContact CB-SG 3.38Å; C1631-C1646 WeakPolarHBondContact SG-CB 3.47Å; C1631-C1646 CovalentContact SG-SG 2.02Å; C1631-C1646 PolarHBondContact SG-SG 3.21Å; L1635-C1646 HydrophobicContact CD1-CB 4.06Å; F1639-C1646 HydrophobicContact CD2-CB 4.34Å; F1639-C1646 HydrophobicContact CE2-CB 3.96Å; C1646-I1698 HydrophobicContact CB-CG2 3.95Å; C1646-G1699 WeakPolarHBondContact CA-O 3.29Å |
| 1647 | A | 89.6 | Confident | 77.1 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 143.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.1 | V1623 Q1624 I1625 I1698 G1699 F1701 | V1623-A1647 HydrophobicContact CB-CB 4.21Å; Q1624-A1647 CarbonylContact O-C 3.58Å; Q1624-A1647 WeakPolarHBondContact O-CA 3.34Å; Q1624-A1647 VanDerWaalsContact O-CB 3.3Å; Q1624-A1647 WeakPolarHBondContact O-CB 3.48Å; I1625-A1647 HydrophobicContact CG1-CB 4.39Å; A1647-I1698 WeakPolarHBondContact O-CA 2.85Å; A1647-G1699 PolarHBondContact N-O 2.51Å; A1647-G1699 PolarHBondContact O-N 2.97Å; A1647-F1701 HydrophobicContact CB-CD2 4.3Å; A1647-F1701 HydrophobicContact CB-CE2 3.78Å |
| 1648 | L | 88.2 | Confident | 77.6 | Confident | 12 Ų | 12 | 44.5 Ų | 44.5 | 6% | 0.063 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 131.1 | 174.3 | -172.5 | 70 | 0 | 0 | 0 | 109.7 | I1460 Q1624 L1626 V1685 V1688 Y1696 I1698 | I1460-L1648 HydrophobicContact CD1-CD2 4.01Å; Q1624-L1648 PolarHBondContact N-O 3.41Å; Q1624-L1648 VanDerWaalsContact N-O 3.13Å; Q1624-L1648 PolarHBondContact O-N 2.87Å; L1626-L1648 HydrophobicContact CD1-CB 4.36Å; L1626-L1648 HydrophobicContact CD2-CB 4.22Å; L1626-L1648 HydrophobicContact CG-CB 4.39Å; L1648-V1685 HydrophobicContact CD1-CG1 4.11Å; L1648-V1688 HydrophobicContact CD1-CG2 4.35Å; L1648-V1688 HydrophobicContact CD2-CG1 4.48Å; L1648-V1688 HydrophobicContact CD2-CG2 4.29Å; L1648-Y1696 HydrophobicContact CD1-CD1 4.44Å; L1648-Y1696 HydrophobicContact CD2-CD1 4.39Å; L1648-Y1696 HydrophobicContact CG-CD1 4.15Å; L1648-I1698 HydrophobicContact CD1-CG1 4.38Å |
| 1649 | M | 85.4 | Confident | 78.2 | Confident | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 166.7 | 179.7 | 72.6 | -178.1 | 71.1 | 0 | 0 | 112.2 | V1609 V1621 V1623 M1657 Y1676 Y1696 E1697 F1701 | V1609-M1649 HydrophobicContact CG2-CE 4.45Å; V1621-M1649 HydrophobicContact CG1-CB 4.44Å; V1623-M1649 HydrophobicContact CG1-CB 3.6Å; V1623-M1649 HydrophobicContact CG1-CE 4.09Å; M1649-M1657 HydrophobicContact SD-CE 3.86Å; M1649-Y1676 HydrophobicContact CE-CD2 4.32Å; M1649-Y1676 HydrophobicContact CE-CE2 4.15Å; M1649-Y1676 HydrophobicContact SD-CE2 4.28Å; M1649-Y1696 CarbonylContact O-C 3.46Å; M1649-Y1696 WeakPolarHBondContact O-CA 3.32Å; M1649-E1697 HydrophobicContact CG-CG 3.76Å; M1649-E1697 PolarHBondContact N-O 3.08Å; M1649-E1697 PolarHBondContact O-N 3.41Å; M1649-F1701 HydrophobicContact CE-CE1 4.47Å; M1649-F1701 HydrophobicContact CE-CE2 3.48Å; M1649-F1701 VanDerWaalsContact CE-CE2 3.48Å; M1649-F1701 HydrophobicContact CE-CZ 3.27Å |
| 1650 | R | 82.6 | Confident | 78.9 | Confident | 25 Ų | 25 | 38.2 Ų | 38.2 | 9% | 0.094 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 138.4 | 172.4 | -80.1 | -175.7 | 81.9 | -172 | -3.1 | 111 | Y1464 D1472 A1473 A1653 Y1696 | Y1464-R1650 VanDerWaalsContact CE1-CD 3.45Å; Y1464-R1650 HydrophobicContact CE1-CG 4.22Å; Y1464-R1650 VanDerWaalsContact CZ-CD 3.47Å; Y1464-R1650 WeakPolarHBondContact OH-CG 3.38Å; D1472-R1650 PolarHBondContact O-NH1 3.45Å; A1473-R1650 HydrophobicContact CB-CB 3.84Å; R1650-A1653 WeakPolarHBondContact O-CB 3.36Å; R1650-Y1696 HydrophobicContact CG-CD1 4.44Å; R1650-Y1696 HydrophobicContact CG-CE1 4.14Å |
| 1651 | K | 77.8 | Confident | 79.6 | Confident | 100 Ų | 100 | 35.4 Ų | 35.4 | 44% | 0.435 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | 147.3 | 176.1 | -171.2 | 171.9 | -177.8 | -176.4 | 0 | 110.9 | A1653 T1695 E1697 | K1651-A1653 PolarHBondContact O-N 2.91Å; K1651-A1653 VanDerWaalsContact O-N 3.16Å; K1651-T1695 PolarHBondContact N-O 3.44Å; K1651-T1695 VanDerWaalsContact N-O 3.14Å; K1651-E1697 HydrophobicContact CB-CB 4.38Å; K1651-E1697 HydrophobicContact CB-CG 4.28Å; K1651-E1697 WeakPolarHBondContact CG-OE2 3.27Å |
| 1652 | D | 69.5 | Low | 80.6 | Confident | 122 Ų | 122 | 33.2 Ų | 33.2 | 65% | 0.652 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.5 | 22.8 | 177.4 | -58.5 | -43.1 | 0 | 0 | 0 | 115 | M1654 | D1652-M1654 PolarHBondContact O-N 2.91Š|
| 1653 | A | 67.7 | Low | 81.5 | Confident | 6 Ų | 6 | 29 Ų | 29 | 5% | 0.05 | 14% | 0.136 | C | C | . | . | trans | -71.1 | -24.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | A1473 H1474 V1621 R1650 K1651 | A1473-A1653 HydrophobicContact CB-CB 3.71Å; A1473-A1653 WeakPolarHBondContact O-CB 3.41Å; H1474-A1653 WeakPolarHBondContact CB-O 3.29Å; H1474-A1653 PolarHBondContact ND1-O 3.4Å; V1621-A1653 HydrophobicContact CB-CB 4.42Å; V1621-A1653 HydrophobicContact CG1-CB 3.91Å; V1621-A1653 HydrophobicContact CG2-CB 3.56Å; R1650-A1653 WeakPolarHBondContact O-CB 3.36Å; K1651-A1653 PolarHBondContact O-N 2.91Å; K1651-A1653 VanDerWaalsContact O-N 3.16Å | ||
| 1654 | M | 72.9 | Confident | 82.4 | Confident | 21 Ų | 21 | 28.1 Ų | 28.1 | 10% | 0.103 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -147.4 | 157.1 | -174.7 | -91.4 | -168.2 | -70.2 | 0 | 0 | 112.6 | V1609 G1611 A1619 V1621 D1652 M1657 | V1609-M1654 HydrophobicContact CB-CE 3.71Å; V1609-M1654 HydrophobicContact CG1-CE 3.65Å; V1609-M1654 WeakPolarHBondContact O-CE 3.44Å; G1611-M1654 WeakPolarHBondContact CA-SD 3.32Å; G1611-M1654 PolarHBondContact N-SD 3.31Å; G1611-M1654 VanDerWaalsContact N-SD 3.42Å; A1619-M1654 HydrophobicContact CB-CG 4.5Å; V1621-M1654 HydrophobicContact CB-CE 3.79Å; V1621-M1654 HydrophobicContact CG2-CE 3.32Å; V1621-M1654 HydrophobicContact CG2-CG 3.82Å; V1621-M1654 HydrophobicContact CG2-SD 4.08Å; D1652-M1654 PolarHBondContact O-N 2.91Å; M1654-M1657 HydrophobicContact CB-CG 4.09Å; M1654-M1657 HydrophobicContact CB-SD 3.41Å; M1654-M1657 WeakPolarHBondContact CB-SD 3.39Å; M1654-M1657 HydrophobicContact CE-CE 3.6Å; M1654-M1657 HydrophobicContact CE-SD 3.25Å; M1654-M1657 WeakPolarHBondContact CE-SD 3.46Å; M1654-M1657 HydrophobicContact CG-SD 4.24Å; M1654-M1657 HydrophobicContact SD-SD 4.03Å |
| 1655 | L | 68.8 | Low | 82.5 | Confident | 49 Ų | 49 | 32.6 Ų | 32.6 | 26% | 0.257 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -84.3 | 125.5 | 179.2 | -162.9 | 95.3 | 0 | 0 | 0 | 110.5 | K1542 V1612 | K1542-L1655 HydrophobicContact CD-CD2 4.25Å; V1612-L1655 PolarHBondContact O-N 3.3Å; V1612-L1655 VanDerWaalsContact O-N 3.12Å |
| 1656 | R | 72.3 | Confident | 81.9 | Confident | 113 Ų | 113 | 36 Ų | 36 | 43% | 0.426 | 16% | 0.16 | S | C | . | . | trans | 49.2 | 69.3 | 171 | -64.6 | -130.7 | 172.7 | -174.3 | -10.3 | 113.5 | I1502 T1503 T1505 E1658 | I1502-R1656 PolarHBondContact O-NH1 2.7Å; T1503-R1656 WeakPolarHBondContact O-CD 3.49Å; T1503-R1656 PolarHBondContact O-NH1 3.45Å; T1505-R1656 PolarHBondContact OG1-O 3.14Å; R1656-E1658 VanDerWaalsContact C-N 3.26Å; R1656-E1658 PolarHBondContact O-N 2.75Å | ||
| 1657 | M | 75.8 | Confident | 80.9 | Confident | 20 Ų | 20 | 42.6 Ų | 42.6 | 10% | 0.099 | 20% | 0.195 | C | C | . | . | trans | -65.3 | -20.3 | -175.7 | -71.7 | -76.5 | -89.6 | 0 | 0 | 114.8 | V1609 M1649 M1654 G1659 A1660 Y1676 | V1609-M1657 HydrophobicContact CB-CE 4.14Å; V1609-M1657 HydrophobicContact CG1-CE 3.68Å; V1609-M1657 HydrophobicContact CG1-SD 4.21Å; V1609-M1657 HydrophobicContact CG2-CE 4.4Å; M1649-M1657 HydrophobicContact SD-CE 3.86Å; M1654-M1657 HydrophobicContact CB-CG 4.09Å; M1654-M1657 HydrophobicContact CB-SD 3.41Å; M1654-M1657 WeakPolarHBondContact CB-SD 3.39Å; M1654-M1657 HydrophobicContact CE-CE 3.6Å; M1654-M1657 HydrophobicContact CE-SD 3.25Å; M1654-M1657 WeakPolarHBondContact CE-SD 3.46Å; M1654-M1657 HydrophobicContact CG-SD 4.24Å; M1654-M1657 HydrophobicContact SD-SD 4.03Å; M1657-G1659 PolarHBondContact O-N 2.8Å; M1657-G1659 VanDerWaalsContact O-N 3.1Å; M1657-A1660 WeakPolarHBondContact O-CB 3.23Å; M1657-A1660 PolarHBondContact O-N 2.66Å; M1657-A1660 HydrophobicContact SD-CB 4.32Å; M1657-Y1676 HydrophobicContact CB-CD1 3.42Å; M1657-Y1676 VanDerWaalsContact CB-CD1 3.42Å; M1657-Y1676 HydrophobicContact CB-CD2 4.18Å; M1657-Y1676 HydrophobicContact CB-CE1 3.27Å; M1657-Y1676 HydrophobicContact CB-CE2 4.05Å; M1657-Y1676 HydrophobicContact CB-CG 3.87Å; M1657-Y1676 HydrophobicContact CE-CD2 3.96Å; M1657-Y1676 HydrophobicContact CE-CE2 4.05Å; M1657-Y1676 HydrophobicContact CG-CE1 4.47Å; M1657-Y1676 WeakPolarHBondContact O-CB 3.39Å; M1657-Y1676 WeakPolarHBondContact O-CD1 3.5Å | ||
| 1658 | E | 83.5 | Confident | 80.1 | Confident | 92 Ų | 92 | 49.7 Ų | 49.7 | 43% | 0.43 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | 118.7 | 177.2 | -84.1 | 170 | -167.9 | 0 | 0 | 111.6 | C1504 T1505 R1656 E1677 | C1504-E1658 WeakPolarHBondContact CB-O 3.25Å; T1505-E1658 PolarHBondContact N-O 2.91Å; R1656-E1658 VanDerWaalsContact C-N 3.26Å; R1656-E1658 PolarHBondContact O-N 2.75Å; E1658-E1677 VanDerWaalsContact CG-O 3.27Å; E1658-E1677 WeakPolarHBondContact CG-O 3.47Å |
| 1659 | G | 86.1 | Confident | 79.4 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.6 | -0.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | T1505 M1657 Y1676 | T1505-G1659 CarbonylContact O-C 3.55Å; T1505-G1659 WeakPolarHBondContact O-CA 3.12Å; M1657-G1659 PolarHBondContact O-N 2.8Å; M1657-G1659 VanDerWaalsContact O-N 3.1Å; G1659-Y1676 PolarHBondContact N-O 2.95Å |
| 1660 | A | 89.7 | Confident | 79.2 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | trans | -65.6 | 147.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | T1505 V1609 M1657 I1675 Y1676 | T1505-A1660 HydrophobicContact CG2-CB 4.44Å; V1609-A1660 HydrophobicContact CG1-CB 3.77Å; M1657-A1660 WeakPolarHBondContact O-CB 3.23Å; M1657-A1660 PolarHBondContact O-N 2.66Å; M1657-A1660 HydrophobicContact SD-CB 4.32Å; A1660-I1675 CarbonylContact O-C 3.51Å; A1660-I1675 WeakPolarHBondContact O-CA 2.92Å; A1660-Y1676 PolarHBondContact O-N 2.8Å | ||
| 1661 | A | 90 | Very high | 79.3 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 125.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F1592 V1609 T1610 V1663 Q1672 | F1592-A1661 HydrophobicContact CD2-CB 4.21Å; F1592-A1661 HydrophobicContact CE2-CB 4.2Å; V1609-A1661 WeakPolarHBondContact CA-O 3.42Å; T1610-A1661 PolarHBondContact N-O 2.87Å; T1610-A1661 PolarHBondContact OG1-O 3.19Å; A1661-V1663 HydrophobicContact CB-CG1 4.29Å; A1661-Q1672 VanDerWaalsContact CB-CD 3.46Å; A1661-Q1672 HydrophobicContact CB-CG 3.89Å |
| 1662 | L | 91.4 | Very high | 79.7 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 114.9 | 166.4 | 176.1 | 68.5 | 0 | 0 | 0 | 108.9 | C1607 V1609 V1623 I1625 Y1645 Q1672 Y1673 G1674 F1701 | C1607-L1662 HydrophobicContact CB-CD1 4.24Å; V1609-L1662 HydrophobicContact CG2-CD1 4.26Å; V1623-L1662 HydrophobicContact CG2-CD1 3.5Å; I1625-L1662 HydrophobicContact CD1-CD2 4.42Å; Y1645-L1662 HydrophobicContact CD2-CD2 4.16Å; L1662-Q1672 CarbonylContact O-C 3.5Å; L1662-Q1672 WeakPolarHBondContact O-CA 3.32Å; L1662-Y1673 PolarHBondContact O-N 3.07Å; L1662-G1674 PolarHBondContact N-O 2.99Å; L1662-G1674 PolarHBondContact O-N 3.08Å; L1662-F1701 HydrophobicContact CB-CD1 3.62Å; L1662-F1701 HydrophobicContact CB-CE1 3.88Å; L1662-F1701 HydrophobicContact CB-CG 4.3Å; L1662-F1701 HydrophobicContact CD1-CD1 4.43Å; L1662-F1701 HydrophobicContact CD1-CE1 4.14Å; L1662-F1701 HydrophobicContact CD1-CZ 4.26Å; L1662-F1701 HydrophobicContact CD2-CB 4.06Å; L1662-F1701 HydrophobicContact CD2-CD1 4.11Å; L1662-F1701 HydrophobicContact CD2-CD2 4.38Å; L1662-F1701 HydrophobicContact CD2-CG 3.94Å; L1662-F1701 HydrophobicContact CG-CD1 4.27Å; L1662-F1701 HydrophobicContact CG-CE1 4.44Å |
| 1663 | V | 88.7 | Confident | 80.6 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 137.5 | -176.5 | -63.6 | 0 | 0 | 0 | 0 | 111.1 | P1485 F1592 C1607 F1608 T1610 A1661 W1670 I1671 Q1672 | P1485-V1663 HydrophobicContact CB-CG2 4.13Å; P1485-V1663 HydrophobicContact CG-CG2 4Å; F1592-V1663 HydrophobicContact CB-CG1 4.23Å; F1592-V1663 HydrophobicContact CD1-CB 4.25Å; F1592-V1663 HydrophobicContact CD1-CG1 3.55Å; F1592-V1663 HydrophobicContact CD2-CG1 3.46Å; F1592-V1663 VanDerWaalsContact CD2-CG1 3.46Å; F1592-V1663 HydrophobicContact CE1-CB 4.22Å; F1592-V1663 HydrophobicContact CE1-CG1 3.69Å; F1592-V1663 HydrophobicContact CE1-CG2 4.21Å; F1592-V1663 HydrophobicContact CE2-CG1 3.59Å; F1592-V1663 HydrophobicContact CG-CG1 3.45Å; F1592-V1663 VanDerWaalsContact CG-CG1 3.45Å; F1592-V1663 HydrophobicContact CZ-CB 4.49Å; F1592-V1663 HydrophobicContact CZ-CG1 3.72Å; F1592-V1663 HydrophobicContact CZ-CG2 4.26Å; C1607-V1663 CarbonylContact C-O 3.57Å; C1607-V1663 VanDerWaalsContact CA-O 3.24Å; C1607-V1663 WeakPolarHBondContact CA-O 3.43Å; F1608-V1663 HydrophobicContact CB-CG2 4.12Å; F1608-V1663 PolarHBondContact N-O 3.16Å; F1608-V1663 WeakPolarHBondContact O-CG2 3.5Å; F1608-V1663 PolarHBondContact O-N 2.73Å; T1610-V1663 HydrophobicContact CG2-CG2 3.62Å; A1661-V1663 HydrophobicContact CB-CG1 4.29Å; V1663-W1670 HydrophobicContact CG2-CE3 4.43Å; V1663-I1671 CarbonylContact C-O 3.53Å; V1663-I1671 VanDerWaalsContact CA-O 3.23Å; V1663-I1671 WeakPolarHBondContact CA-O 3.43Å; V1663-Q1672 HydrophobicContact CG1-CB 4.13Å; V1663-Q1672 HydrophobicContact CG1-CG 4.47Å |
| 1664 | C | 90.3 | Very high | 81.6 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 148.9 | 179.2 | -55.7 | 0 | 0 | 0 | 0 | 110.5 | Y1605 S1606 C1607 I1671 Y1673 | Y1605-C1664 HydrophobicContact CD2-CB 4.12Å; S1606-C1664 WeakPolarHBondContact O-CA 3.35Å; C1607-C1664 HydrophobicContact CB-CB 4.12Å; C1607-C1664 WeakPolarHBondContact CB-SG 3.2Å; C1607-C1664 WeakPolarHBondContact SG-CB 3.45Å; C1607-C1664 CovalentContact SG-SG 2.04Å; C1607-C1664 PolarHBondContact SG-SG 3.2Å; C1664-I1671 PolarHBondContact N-O 3.27Å; C1664-I1671 PolarHBondContact O-N 3.3Å; C1664-Y1673 HydrophobicContact CB-CD2 3.67Å; C1664-Y1673 HydrophobicContact CB-CE2 3.78Å |
| 1665 | R | 84.5 | Confident | 82.4 | Confident | 113 Ų | 113 | 40.8 Ų | 40.8 | 43% | 0.426 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 124.9 | 178.6 | -164.2 | 171.7 | 64.3 | 163 | 0.4 | 110.8 | S1606 W1670 | S1606-R1665 PolarHBondContact O-N 3.32Å; R1665-W1670 HydrophobicContact CB-CE3 3.98Å; R1665-W1670 HydrophobicContact CB-CH2 3.72Å; R1665-W1670 HydrophobicContact CB-CZ2 4.26Å; R1665-W1670 HydrophobicContact CB-CZ3 3.57Å; R1665-W1670 HydrophobicContact CG-CH2 4.18Å; R1665-W1670 HydrophobicContact CG-CZ2 4.22Å; R1665-W1670 HydrophobicContact CG-CZ3 4.37Å |
| 1666 | R | 75.3 | Confident | 83.4 | Confident | 79 Ų | 79 | 39.2 Ų | 39.2 | 30% | 0.298 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 129.8 | 173.3 | -173.4 | -173.8 | 69.6 | 151 | -2 | 109.5 | D1599 N1668 V1669 I1671 | D1599-R1666 IonicContact OD1-NH1 3.74Å; D1599-R1666 IonicContact OD2-CZ 2.74Å; D1599-R1666 IonicContact OD2-NE 3.01Å; D1599-R1666 IonicContact OD2-NH1 3.58Å; D1599-R1666 PolarHBondContact OD2-NH1 2.85Å; D1599-R1666 IonicContact OD2-NH2 3.6Å; D1599-R1666 PolarHBondContact OD2-NH2 3.25Å; R1666-N1668 VanDerWaalsContact C-N 3.25Å; R1666-N1668 PolarHBondContact O-N 3.2Å; R1666-N1668 VanDerWaalsContact O-N 3.14Å; R1666-V1669 PolarHBondContact N-O 3.34Å; R1666-V1669 WeakPolarHBondContact O-CA 3.42Å; R1666-V1669 PolarHBondContact O-N 2.89Å; R1666-V1669 VanDerWaalsContact O-O 3.07Å; R1666-I1671 HydrophobicContact CB-CD1 4.19Å; R1666-I1671 VanDerWaalsContact NE-CD1 3.28Å |
| 1667 | D | 69.2 | Low | 84 | Confident | 140 Ų | 140 | 34.8 Ų | 34.8 | 75% | 0.749 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.4 | 43.1 | 177.9 | -53 | -36.8 | 0 | 0 | 0 | 114.1 | V1669 | D1667-V1669 PolarHBondContact O-N 3Š|
| 1668 | N | 71.6 | Confident | 84.4 | Confident | 150 Ų | 150 | 36.2 Ų | 36.2 | 80% | 0.802 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 17.6 | -174.3 | -68.8 | -25.7 | 0 | 0 | 0 | 116.2 | R1666 | R1666-N1668 VanDerWaalsContact C-N 3.25Å; R1666-N1668 PolarHBondContact O-N 3.2Å; R1666-N1668 VanDerWaalsContact O-N 3.14Å |
| 1669 | V | 74.4 | Confident | 84.4 | Confident | 54 Ų | 54 | 33.8 Ų | 33.8 | 33% | 0.327 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 147.4 | 175.9 | -176.6 | 0 | 0 | 0 | 0 | 111 | Q1593 R1666 D1667 | Q1593-V1669 HydrophobicContact CG-CG1 4.23Å; R1666-V1669 PolarHBondContact N-O 3.34Å; R1666-V1669 WeakPolarHBondContact O-CA 3.42Å; R1666-V1669 PolarHBondContact O-N 2.89Å; R1666-V1669 VanDerWaalsContact O-O 3.07Å; D1667-V1669 PolarHBondContact O-N 3Å |
| 1670 | W | 80.8 | Confident | 84.1 | Confident | 44 Ų | 44 | 34.3 Ų | 34.3 | 17% | 0.167 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 121.3 | 177.1 | -66.8 | 105.7 | 0 | 0 | 0 | 111.7 | G1483 P1485 F1592 Q1593 F1608 V1663 R1665 | G1483-W1670 WeakPolarHBondContact O-CZ2 3.34Å; P1485-W1670 HydrophobicContact CB-CD2 3.64Å; P1485-W1670 HydrophobicContact CB-CE3 3.96Å; P1485-W1670 HydrophobicContact CB-CG 3.95Å; P1485-W1670 HydrophobicContact CB-CZ2 4.26Å; P1485-W1670 HydrophobicContact CB-CZ3 4.39Å; P1485-W1670 VanDerWaalsContact CD-CZ2 3.45Å; P1485-W1670 HydrophobicContact CG-CD2 4.18Å; P1485-W1670 HydrophobicContact CG-CE3 4.09Å; P1485-W1670 HydrophobicContact CG-CH2 4.08Å; P1485-W1670 HydrophobicContact CG-CZ2 4.16Å; P1485-W1670 HydrophobicContact CG-CZ3 4.04Å; F1592-W1670 HydrophobicContact CD1-CB 3.99Å; F1592-W1670 HydrophobicContact CE1-CB 4.34Å; Q1593-W1670 PolarHBondContact N-O 3.26Å; F1608-W1670 AromaticContact CD2-CH2 3.68Å; F1608-W1670 HydrophobicContact CD2-CH2 3.68Å; F1608-W1670 AromaticContact CD2-CZ3 3.58Å; F1608-W1670 HydrophobicContact CD2-CZ3 3.58Å; F1608-W1670 AromaticContact CE2-CH2 3.54Å; F1608-W1670 HydrophobicContact CE2-CH2 3.54Å; F1608-W1670 AromaticContact CE2-CZ3 3.87Å; F1608-W1670 HydrophobicContact CE2-CZ3 3.87Å; V1663-W1670 HydrophobicContact CG2-CE3 4.43Å; R1665-W1670 HydrophobicContact CB-CE3 3.98Å; R1665-W1670 HydrophobicContact CB-CH2 3.72Å; R1665-W1670 HydrophobicContact CB-CZ2 4.26Å; R1665-W1670 HydrophobicContact CB-CZ3 3.57Å; R1665-W1670 HydrophobicContact CG-CH2 4.18Å; R1665-W1670 HydrophobicContact CG-CZ2 4.22Å; R1665-W1670 HydrophobicContact CG-CZ3 4.37Å |
| 1671 | I | 84 | Confident | 83.6 | Confident | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 132.3 | -176 | -57.8 | 177.4 | 0 | 0 | 0 | 110.1 | Q1593 P1595 V1663 C1664 R1666 Y1673 | Q1593-I1671 HydrophobicContact CB-CG1 4.34Å; Q1593-I1671 CarbonylContact O-C 3.53Å; Q1593-I1671 WeakPolarHBondContact O-CA 3.23Å; P1595-I1671 HydrophobicContact CB-CG2 3.79Å; P1595-I1671 HydrophobicContact CG-CG2 4.2Å; V1663-I1671 CarbonylContact C-O 3.53Å; V1663-I1671 VanDerWaalsContact CA-O 3.23Å; V1663-I1671 WeakPolarHBondContact CA-O 3.43Å; C1664-I1671 PolarHBondContact N-O 3.27Å; C1664-I1671 PolarHBondContact O-N 3.3Å; R1666-I1671 HydrophobicContact CB-CD1 4.19Å; R1666-I1671 VanDerWaalsContact NE-CD1 3.28Å; I1671-Y1673 HydrophobicContact CB-CD2 4.14Å; I1671-Y1673 HydrophobicContact CB-CE2 3.68Å; I1671-Y1673 HydrophobicContact CG2-CD2 4.02Å; I1671-Y1673 HydrophobicContact CG2-CE1 4.41Å; I1671-Y1673 HydrophobicContact CG2-CE2 3.72Å; I1671-Y1673 WeakPolarHBondContact O-CD2 3.46Å; I1671-Y1673 PolarHBondContact O-N 2.85Å |
| 1672 | Q | 87.5 | Confident | 83 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 92.9 | 177.8 | -176.7 | 176.9 | -13.9 | 0 | 0 | 111.5 | S1507 F1592 Q1593 P1595 A1661 L1662 V1663 T1704 | S1507-Q1672 PolarHBondContact OG-NE2 3.43Å; S1507-Q1672 PolarHBondContact OG-OE1 2.68Å; F1592-Q1672 HydrophobicContact CB-CB 3.7Å; F1592-Q1672 HydrophobicContact CG-CB 4.38Å; Q1593-Q1672 PolarHBondContact O-N 2.94Å; P1595-Q1672 WeakPolarHBondContact CD-O 3.41Å; A1661-Q1672 VanDerWaalsContact CB-CD 3.46Å; A1661-Q1672 HydrophobicContact CB-CG 3.89Å; L1662-Q1672 CarbonylContact O-C 3.5Å; L1662-Q1672 WeakPolarHBondContact O-CA 3.32Å; V1663-Q1672 HydrophobicContact CG1-CB 4.13Å; V1663-Q1672 HydrophobicContact CG1-CG 4.47Å; Q1672-T1704 HydrophobicContact CG-CG2 4.24Å; Q1672-T1704 PolarHBondContact O-OG1 3.07Å |
| 1673 | Y | 87.3 | Confident | 82.5 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | -25.1 | -179.7 | -75 | -84.7 | 0 | 0 | 0 | 114.2 | P1595 D1599 A1601 Y1605 L1662 C1664 I1671 T1704 Q1705 | P1595-Y1673 HydrophobicContact CB-CD1 3.92Å; P1595-Y1673 HydrophobicContact CB-CE1 3.76Å; P1595-Y1673 HydrophobicContact CG-CD1 4.03Å; P1595-Y1673 HydrophobicContact CG-CE1 4.38Å; D1599-Y1673 VanDerWaalsContact CG-OH 3.23Å; D1599-Y1673 WeakPolarHBondContact O-CE1 3.32Å; D1599-Y1673 WeakPolarHBondContact OD1-CE1 3.45Å; D1599-Y1673 PolarHBondContact OD1-OH 2.77Å; D1599-Y1673 PolarHBondContact OD2-OH 2.7Å; A1601-Y1673 HydrophobicContact CB-CD1 3.8Å; A1601-Y1673 HydrophobicContact CB-CD2 3.83Å; A1601-Y1673 HydrophobicContact CB-CE1 4.24Å; A1601-Y1673 HydrophobicContact CB-CE2 4.24Å; A1601-Y1673 HydrophobicContact CB-CG 3.57Å; A1601-Y1673 VanDerWaalsContact N-CE1 3.29Å; Y1605-Y1673 HydrophobicContact CD2-CE2 4.39Å; Y1605-Y1673 HydrophobicContact CE2-CE2 4.4Å; L1662-Y1673 PolarHBondContact O-N 3.07Å; C1664-Y1673 HydrophobicContact CB-CD2 3.67Å; C1664-Y1673 HydrophobicContact CB-CE2 3.78Å; I1671-Y1673 HydrophobicContact CB-CD2 4.14Å; I1671-Y1673 HydrophobicContact CB-CE2 3.68Å; I1671-Y1673 HydrophobicContact CG2-CD2 4.02Å; I1671-Y1673 HydrophobicContact CG2-CE1 4.41Å; I1671-Y1673 HydrophobicContact CG2-CE2 3.72Å; I1671-Y1673 WeakPolarHBondContact O-CD2 3.46Å; I1671-Y1673 PolarHBondContact O-N 2.85Å; Y1673-T1704 PolarHBondContact O-N 3.33Å; Y1673-T1704 VanDerWaalsContact O-N 3.08Å; Y1673-T1704 PolarHBondContact O-OG1 2.69Å; Y1673-Q1705 PolarHBondContact O-OE1 3.11Å |
| 1674 | G | 88.5 | Confident | 82.2 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 168.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | L1662 L1702 | L1662-G1674 PolarHBondContact N-O 2.99Å; L1662-G1674 PolarHBondContact O-N 3.08Å; G1674-L1702 CarbonylContact C-O 3.57Å; G1674-L1702 WeakPolarHBondContact CA-O 3.49Å |
| 1675 | I | 89.7 | Confident | 81.6 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 120.4 | 176.7 | -55.6 | 176.3 | 0 | 0 | 0 | 106.9 | I1521 T1522 V1575 A1660 E1677 F1701 L1702 T1704 | I1521-I1675 HydrophobicContact CG2-CD1 3.54Å; I1521-I1675 HydrophobicContact CG2-CG1 4.28Å; T1522-I1675 WeakPolarHBondContact O-CD1 3.39Å; V1575-I1675 HydrophobicContact CB-CD1 4.34Å; V1575-I1675 HydrophobicContact CG1-CD1 3.82Å; V1575-I1675 HydrophobicContact CG2-CD1 4.02Å; A1660-I1675 CarbonylContact O-C 3.51Å; A1660-I1675 WeakPolarHBondContact O-CA 2.92Å; I1675-E1677 PolarHBondContact O-N 3.14Å; I1675-F1701 CarbonylContact O-C 3.58Å; I1675-F1701 VanDerWaalsContact O-CA 3.31Å; I1675-F1701 WeakPolarHBondContact O-CA 3.42Å; I1675-L1702 PolarHBondContact N-O 3.12Å; I1675-L1702 PolarHBondContact O-N 2.94Å; I1675-T1704 HydrophobicContact CD1-CG2 4.16Å; I1675-T1704 HydrophobicContact CG1-CG2 3.82Å |
| 1676 | Y | 90.3 | Very high | 81 | Confident | 16 Ų | 16 | 52.3 Ų | 52.3 | 6% | 0.063 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 131.5 | 179.4 | 180 | -78.2 | 0 | 0 | 0 | 110.1 | M1649 M1657 G1659 A1660 T1679 F1701 | M1649-Y1676 HydrophobicContact CE-CD2 4.32Å; M1649-Y1676 HydrophobicContact CE-CE2 4.15Å; M1649-Y1676 HydrophobicContact SD-CE2 4.28Å; M1657-Y1676 HydrophobicContact CB-CD1 3.42Å; M1657-Y1676 VanDerWaalsContact CB-CD1 3.42Å; M1657-Y1676 HydrophobicContact CB-CD2 4.18Å; M1657-Y1676 HydrophobicContact CB-CE1 3.27Å; M1657-Y1676 HydrophobicContact CB-CE2 4.05Å; M1657-Y1676 HydrophobicContact CB-CG 3.87Å; M1657-Y1676 HydrophobicContact CE-CD2 3.96Å; M1657-Y1676 HydrophobicContact CE-CE2 4.05Å; M1657-Y1676 HydrophobicContact CG-CE1 4.47Å; M1657-Y1676 WeakPolarHBondContact O-CB 3.39Å; M1657-Y1676 WeakPolarHBondContact O-CD1 3.5Å; G1659-Y1676 PolarHBondContact N-O 2.95Å; A1660-Y1676 PolarHBondContact O-N 2.8Å; Y1676-T1679 PolarHBondContact OH-N 2.96Å; Y1676-T1679 PolarHBondContact OH-OG1 3.33Å; Y1676-F1701 HydrophobicContact CD2-CD1 4.23Å; Y1676-F1701 AromaticContact CD2-CE1 3.68Å; Y1676-F1701 HydrophobicContact CD2-CE1 3.68Å; Y1676-F1701 HydrophobicContact CD2-CE2 4.38Å; Y1676-F1701 AromaticContact CD2-CZ 3.8Å; Y1676-F1701 HydrophobicContact CD2-CZ 3.8Å; Y1676-F1701 HydrophobicContact CG-CD1 4.44Å; Y1676-F1701 HydrophobicContact CG-CE1 4.17Å |
| 1677 | E | 85.1 | Confident | 80.7 | Confident | 20 Ų | 20 | 54.4 Ų | 54.4 | 9% | 0.093 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | -58.6 | 177.5 | -172.4 | 68.7 | -170.9 | 0 | 0 | 111.6 | S1523 S1525 L1573 E1658 I1675 S1700 L1702 | S1523-E1677 WeakPolarHBondContact CB-OE2 3.43Å; S1523-E1677 PolarHBondContact OG-OE2 3.15Å; S1525-E1677 WeakPolarHBondContact CB-OE1 3.19Å; S1525-E1677 PolarHBondContact OG-OE1 3.28Å; L1573-E1677 HydrophobicContact CD2-CG 3.48Å; L1573-E1677 VanDerWaalsContact CD2-CG 3.48Å; L1573-E1677 WeakPolarHBondContact CD2-OE1 3.29Å; E1658-E1677 VanDerWaalsContact CG-O 3.27Å; E1658-E1677 WeakPolarHBondContact CG-O 3.47Å; I1675-E1677 PolarHBondContact O-N 3.14Å; E1677-S1700 PolarHBondContact N-O 3.38Å; E1677-L1702 HydrophobicContact CB-CD1 4.33Å; E1677-L1702 HydrophobicContact CB-CG 4.18Å; E1677-L1702 HydrophobicContact CG-CD1 4.37Å; E1677-L1702 VanDerWaalsContact OE2-CD1 3.3Å; E1677-L1702 WeakPolarHBondContact OE2-CD1 3.34Å |
| 1678 | S | 84.7 | Confident | 80.6 | Confident | 51 Ų | 51 | 49.6 Ų | 49.6 | 36% | 0.357 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.8 | 161.8 | -176.4 | 62.4 | 0 | 0 | 0 | 0 | 112.6 | S1700 | S1678-S1700 PolarHBondContact O-N 2.9Å |
| 1679 | T | 83.1 | Confident | 80 | Confident | 40 Ų | 40 | 50.4 Ų | 50.4 | 25% | 0.245 | 27% | 0.267 | C | S | . | . | trans | -98.4 | 108.9 | 166 | -61.3 | 0 | 0 | 0 | 0 | 108.6 | Y1676 Q1681 E1697 I1698 | Y1676-T1679 PolarHBondContact OH-N 2.96Å; Y1676-T1679 PolarHBondContact OH-OG1 3.33Å; T1679-Q1681 PolarHBondContact O-N 3.03Å; T1679-E1697 HydrophobicContact CG2-CB 3.75Å; T1679-E1697 HydrophobicContact CG2-CG 4.02Å; T1679-E1697 WeakPolarHBondContact CG2-OE2 3.26Å; T1679-E1697 PolarHBondContact OG1-OE1 3.06Å; T1679-I1698 WeakPolarHBondContact CG2-O 3.26Å | ||
| 1680 | P | 80.9 | Confident | 79.4 | Confident | 12 Ų | 12 | 48.8 Ų | 48.8 | 8% | 0.078 | 26% | 0.256 | C | S | . | . | trans | -68.8 | 120.2 | -178.2 | -18.1 | 33 | 0 | 0 | 0 | 111.6 | L1635 Y1682 A1683 I1698 | L1635-P1680 HydrophobicContact CD2-CB 4.03Å; L1635-P1680 HydrophobicContact CD2-CG 3.79Å; P1680-Y1682 HydrophobicContact CB-CD1 4.2Å; P1680-Y1682 HydrophobicContact CB-CD2 4.28Å; P1680-Y1682 HydrophobicContact CB-CE1 3.69Å; P1680-Y1682 HydrophobicContact CB-CE2 3.78Å; P1680-Y1682 HydrophobicContact CB-CG 4.48Å; P1680-Y1682 VanDerWaalsContact CB-CZ 3.47Å; P1680-Y1682 PolarHBondContact O-N 3.29Å; P1680-Y1682 VanDerWaalsContact O-N 3.08Å; P1680-A1683 WeakPolarHBondContact O-CB 3.31Å; P1680-A1683 PolarHBondContact O-N 3.12Å; P1680-I1698 WeakPolarHBondContact CD-O 3.26Å | ||
| 1681 | Q | 78.3 | Confident | 78.3 | Confident | 199 Ų | 199 | 51.7 Ų | 51.7 | 93% | 0.93 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -19.3 | -177.3 | -67.6 | -176.9 | -9.2 | 0 | 0 | 114.6 | T1679 | T1679-Q1681 PolarHBondContact O-N 3.03Š|
| 1682 | Y | 77.8 | Confident | 77 | Confident | 89 Ų | 89 | 57.3 Ų | 57.3 | 35% | 0.349 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 2.7 | 179.9 | 53.5 | -96.6 | 0 | 0 | 0 | 113.5 | L1635 R1636 K1638 P1680 | L1635-Y1682 HydrophobicContact CB-CE2 4.34Å; L1635-Y1682 HydrophobicContact CD2-CE2 4.35Å; L1635-Y1682 WeakPolarHBondContact O-CE2 3.35Å; R1636-Y1682 PolarHBondContact NE-O 3.33Å; K1638-Y1682 HydrophobicContact CB-CE2 3.98Å; K1638-Y1682 HydrophobicContact CD-CE1 4.4Å; K1638-Y1682 HydrophobicContact CD-CE2 3.99Å; P1680-Y1682 HydrophobicContact CB-CD1 4.2Å; P1680-Y1682 HydrophobicContact CB-CD2 4.28Å; P1680-Y1682 HydrophobicContact CB-CE1 3.69Å; P1680-Y1682 HydrophobicContact CB-CE2 3.78Å; P1680-Y1682 HydrophobicContact CB-CG 4.48Å; P1680-Y1682 VanDerWaalsContact CB-CZ 3.47Å; P1680-Y1682 PolarHBondContact O-N 3.29Å; P1680-Y1682 VanDerWaalsContact O-N 3.08Å |
| 1683 | A | 80.5 | Confident | 75.7 | Confident | 21 Ų | 21 | 64.8 Ų | 64.8 | 17% | 0.174 | 35% | 0.345 | C | S | . | . | trans | -66.7 | 136.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | R1634 L1635 P1680 I1698 | R1634-A1683 CarbonylContact O-C 3.54Å; R1634-A1683 WeakPolarHBondContact O-CA 3.47Å; L1635-A1683 HydrophobicContact CD2-CB 3.81Å; P1680-A1683 WeakPolarHBondContact O-CB 3.31Å; P1680-A1683 PolarHBondContact O-N 3.12Å; A1683-I1698 HydrophobicContact CB-CB 4.05Å; A1683-I1698 HydrophobicContact CB-CD1 4.04Å; A1683-I1698 HydrophobicContact CB-CG1 4.28Å | ||
| 1684 | D | 81.3 | Confident | 74.7 | Confident | 64 Ų | 64 | 67.3 Ų | 67.3 | 34% | 0.342 | 35% | 0.354 | S | S | . | . | trans | -93.3 | 124 | 178.1 | -162.6 | 3.8 | 0 | 0 | 0 | 112.6 | R1634 S1686 | R1634-D1684 PolarHBondContact NH1-O 3.24Å; R1634-D1684 PolarHBondContact O-N 3.42Å; D1684-S1686 PolarHBondContact OD1-N 2.85Å; D1684-S1686 PolarHBondContact OD1-OG 2.77Å; D1684-S1686 VanDerWaalsContact OD1-OG 3.07Å | ||
| 1685 | V | 78.2 | Confident | 74.1 | Confident | 36 Ų | 36 | 71.5 Ų | 71.5 | 22% | 0.218 | 38% | 0.38 | C | S | . | . | trans | -131.4 | 9.5 | -175.4 | -152.3 | 0 | 0 | 0 | 0 | 111.3 | L1648 D1687 V1688 I1698 | L1648-V1685 HydrophobicContact CD1-CG1 4.11Å; V1685-D1687 PolarHBondContact O-N 2.9Å; V1685-V1688 HydrophobicContact CG1-CB 4.27Å; V1685-V1688 HydrophobicContact CG1-CG2 3.8Å; V1685-V1688 PolarHBondContact O-N 3.25Å; V1685-I1698 HydrophobicContact CG2-CD1 4.49Å; V1685-I1698 HydrophobicContact CG2-CG1 4.25Å | ||
| 1686 | S | 73.2 | Confident | 73.7 | Confident | 82 Ų | 82 | 72.7 Ų | 72.7 | 57% | 0.573 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -34.6 | -175.6 | 51.1 | 0 | 0 | 0 | 0 | 114.2 | D1684 V1688 | D1684-S1686 PolarHBondContact OD1-N 2.85Å; D1684-S1686 PolarHBondContact OD1-OG 2.77Å; D1684-S1686 VanDerWaalsContact OD1-OG 3.07Å; S1686-V1688 VanDerWaalsContact C-N 3.26Å; S1686-V1688 PolarHBondContact O-N 2.88Å |
| 1687 | D | 68.6 | Low | 73.5 | Confident | 123 Ų | 123 | 73.4 Ų | 73.4 | 66% | 0.658 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -7.6 | -169.1 | -52.4 | -13 | 0 | 0 | 0 | 112.8 | V1685 Q1689 | V1685-D1687 PolarHBondContact O-N 2.9Å; D1687-Q1689 PolarHBondContact O-N 3.47Å |
| 1688 | V | 66.9 | Low | 73.7 | Confident | 39 Ų | 39 | 72.5 Ų | 72.5 | 24% | 0.236 | 39% | 0.385 | C | S | . | . | trans | -82.1 | 84.2 | -178.9 | -172.5 | 0 | 0 | 0 | 0 | 109.2 | L1648 V1685 S1686 D1690 Y1696 | L1648-V1688 HydrophobicContact CD1-CG2 4.35Å; L1648-V1688 HydrophobicContact CD2-CG1 4.48Å; L1648-V1688 HydrophobicContact CD2-CG2 4.29Å; V1685-V1688 HydrophobicContact CG1-CB 4.27Å; V1685-V1688 HydrophobicContact CG1-CG2 3.8Å; V1685-V1688 PolarHBondContact O-N 3.25Å; S1686-V1688 VanDerWaalsContact C-N 3.26Å; S1686-V1688 PolarHBondContact O-N 2.88Å; V1688-D1690 PolarHBondContact O-N 3.35Å; V1688-Y1696 HydrophobicContact CG1-CD2 3.69Å; V1688-Y1696 HydrophobicContact CG1-CE2 4.02Å; V1688-Y1696 HydrophobicContact CG1-CG 4.02Å | ||
| 1689 | Q | 58.8 | Low | 73.8 | Confident | 167 Ų | 167 | 70.1 Ų | 70.1 | 78% | 0.78 | 37% | 0.368 | S | S | * | . | trans | -75 | 112.9 | 171.9 | -71 | -176.5 | -0.1 | 0 | 0 | 110.5 | R1461 D1687 | R1461-Q1689 PolarHBondContact NH2-O 3.14Å; D1687-Q1689 PolarHBondContact O-N 3.47Å | ||
| 1690 | D | 62.2 | Low | 74.1 | Confident | 19 Ų | 19 | 68.5 Ų | 68.5 | 10% | 0.102 | 36% | 0.358 | C | S | . | . | trans | -107.9 | 119.1 | 168.3 | -165.4 | -31.2 | 0 | 0 | 0 | 109.1 | V1688 K1692 N1693 R1694 Y1696 | V1688-D1690 PolarHBondContact O-N 3.35Å; D1690-K1692 PolarHBondContact O-N 3.07Å; D1690-K1692 PolarHBondContact OD1-N 3.32Å; D1690-N1693 PolarHBondContact O-N 3.17Å; D1690-R1694 HydrophobicContact CB-CB 4.4Å; D1690-R1694 WeakPolarHBondContact OD2-CB 3.31Å; D1690-R1694 WeakPolarHBondContact OD2-CD 3.31Å; D1690-Y1696 HydrophobicContact CB-CE2 3.91Å; D1690-Y1696 WeakPolarHBondContact OD2-CE2 3.41Å; D1690-Y1696 PolarHBondContact OD2-OH 3.26Å | ||
| 1691 | P | 56.3 | Low | 74.5 | Confident | 105 Ų | 105 | 68 Ų | 68 | 68% | 0.682 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -17.6 | 179.5 | 22.6 | -33.5 | 0 | 0 | 0 | 113.3 | ||
| 1692 | K | 57.6 | Low | 74.8 | Confident | 120 Ų | 120 | 58.6 Ų | 58.6 | 52% | 0.522 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 11.4 | 175.6 | -64.2 | -170.2 | 177.9 | -175.3 | 0 | 114.2 | D1690 R1694 | D1690-K1692 PolarHBondContact O-N 3.07Å; D1690-K1692 PolarHBondContact OD1-N 3.32Å; K1692-R1694 VanDerWaalsContact C-N 3.25Å; K1692-R1694 HydrophobicContact CB-CG 4.08Å; K1692-R1694 PolarHBondContact O-N 2.95Å |
| 1693 | N | 59.5 | Low | 75.1 | Confident | 158 Ų | 158 | 55 Ų | 55 | 85% | 0.845 | 30% | 0.297 | S | S | * | . | trans | 57.2 | 34.3 | 177.6 | -136 | 12.2 | 0 | 0 | 0 | 113.8 | D1690 | D1690-N1693 PolarHBondContact O-N 3.17Š| ||
| 1694 | R | 66.5 | Low | 74.8 | Confident | 52 Ų | 52 | 55.2 Ų | 55.2 | 20% | 0.196 | 30% | 0.297 | C | S | . | . | trans | -83.3 | 143.1 | -179.5 | -63 | 172.3 | 170.4 | -177.7 | -6.5 | 110.8 | D1690 K1692 Y1696 | D1690-R1694 HydrophobicContact CB-CB 4.4Å; D1690-R1694 WeakPolarHBondContact OD2-CB 3.31Å; D1690-R1694 WeakPolarHBondContact OD2-CD 3.31Å; K1692-R1694 VanDerWaalsContact C-N 3.25Å; K1692-R1694 HydrophobicContact CB-CG 4.08Å; K1692-R1694 PolarHBondContact O-N 2.95Å; R1694-Y1696 HydrophobicContact CB-CE2 4.23Å; R1694-Y1696 WeakPolarHBondContact O-CD2 3.22Å | ||
| 1695 | T | 76.1 | Confident | 74.1 | Confident | 89 Ų | 89 | 53.1 Ų | 53.1 | 55% | 0.546 | 29% | 0.285 | S | S | . | . | trans | -91.8 | 133.9 | -178.6 | 50.4 | 0 | 0 | 0 | 0 | 112.3 | K1651 | K1651-T1695 PolarHBondContact N-O 3.44Å; K1651-T1695 VanDerWaalsContact N-O 3.14Å | ||
| 1696 | Y | 81.7 | Confident | 72.6 | Confident | 25 Ų | 25 | 52.2 Ų | 52.2 | 10% | 0.098 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 157.4 | 178.4 | -68.9 | -95.1 | 0 | 0 | 0 | 111.1 | I1460 L1648 M1649 R1650 V1688 D1690 R1694 | I1460-Y1696 HydrophobicContact CG2-CE1 4.11Å; L1648-Y1696 HydrophobicContact CD1-CD1 4.44Å; L1648-Y1696 HydrophobicContact CD2-CD1 4.39Å; L1648-Y1696 HydrophobicContact CG-CD1 4.15Å; M1649-Y1696 CarbonylContact O-C 3.46Å; M1649-Y1696 WeakPolarHBondContact O-CA 3.32Å; R1650-Y1696 HydrophobicContact CG-CD1 4.44Å; R1650-Y1696 HydrophobicContact CG-CE1 4.14Å; V1688-Y1696 HydrophobicContact CG1-CD2 3.69Å; V1688-Y1696 HydrophobicContact CG1-CE2 4.02Å; V1688-Y1696 HydrophobicContact CG1-CG 4.02Å; D1690-Y1696 HydrophobicContact CB-CE2 3.91Å; D1690-Y1696 WeakPolarHBondContact OD2-CE2 3.41Å; D1690-Y1696 PolarHBondContact OD2-OH 3.26Å; R1694-Y1696 HydrophobicContact CB-CE2 4.23Å; R1694-Y1696 WeakPolarHBondContact O-CD2 3.22Å |
| 1697 | E | 86.7 | Confident | 71.1 | Confident | 31 Ų | 31 | 49 Ų | 49 | 15% | 0.145 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 162.9 | 172.8 | 68.3 | 174 | -148.7 | 0 | 0 | 111.5 | M1649 K1651 T1679 | M1649-E1697 HydrophobicContact CG-CG 3.76Å; M1649-E1697 PolarHBondContact N-O 3.08Å; M1649-E1697 PolarHBondContact O-N 3.41Å; K1651-E1697 HydrophobicContact CB-CB 4.38Å; K1651-E1697 HydrophobicContact CB-CG 4.28Å; K1651-E1697 WeakPolarHBondContact CG-OE2 3.27Å; T1679-E1697 HydrophobicContact CG2-CB 3.75Å; T1679-E1697 HydrophobicContact CG2-CG 4.02Å; T1679-E1697 WeakPolarHBondContact CG2-OE2 3.26Å; T1679-E1697 PolarHBondContact OG1-OE1 3.06Å |
| 1698 | I | 87.9 | Confident | 69.8 | Low | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 115 | 177 | -57.4 | -178.2 | 0 | 0 | 0 | 108.7 | R1634 L1635 C1646 A1647 L1648 T1679 P1680 A1683 V1685 | R1634-I1698 HydrophobicContact CB-CD1 3.48Å; R1634-I1698 VanDerWaalsContact CB-CD1 3.48Å; R1634-I1698 VanDerWaalsContact CD-CD1 3.41Å; R1634-I1698 HydrophobicContact CG-CD1 4.05Å; L1635-I1698 HydrophobicContact CD2-CG2 4.21Å; C1646-I1698 HydrophobicContact CB-CG2 3.95Å; A1647-I1698 WeakPolarHBondContact O-CA 2.85Å; L1648-I1698 HydrophobicContact CD1-CG1 4.38Å; T1679-I1698 WeakPolarHBondContact CG2-O 3.26Å; P1680-I1698 WeakPolarHBondContact CD-O 3.26Å; A1683-I1698 HydrophobicContact CB-CB 4.05Å; A1683-I1698 HydrophobicContact CB-CD1 4.04Å; A1683-I1698 HydrophobicContact CB-CG1 4.28Å; V1685-I1698 HydrophobicContact CG2-CD1 4.49Å; V1685-I1698 HydrophobicContact CG2-CG1 4.25Å |
| 1699 | G | 88.2 | Confident | 68.3 | Low | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 136.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | C1646 A1647 F1701 | C1646-G1699 WeakPolarHBondContact CA-O 3.29Å; A1647-G1699 PolarHBondContact N-O 2.51Å; A1647-G1699 PolarHBondContact O-N 2.97Å; G1699-F1701 WeakPolarHBondContact O-CD2 3.21Å |
| 1700 | S | 88.3 | Confident | 67.1 | Low | 7 Ų | 7 | 49.8 Ų | 49.8 | 5% | 0.049 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 130.6 | 165.2 | 168.5 | 0 | 0 | 0 | 0 | 110 | E1644 E1677 S1678 | E1644-S1700 PolarHBondContact OE2-OG 3.17Å; E1677-S1700 PolarHBondContact N-O 3.38Å; S1678-S1700 PolarHBondContact O-N 2.9Å |
| 1701 | F | 89.4 | Confident | 66 | Low | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 123.8 | -178.6 | -61.7 | -97.3 | 0 | 0 | 0 | 110.7 | V1609 E1644 Y1645 A1647 M1649 L1662 I1675 Y1676 G1699 K1703 | V1609-F1701 HydrophobicContact CG1-CE1 4.27Å; V1609-F1701 HydrophobicContact CG2-CE1 3.48Å; V1609-F1701 VanDerWaalsContact CG2-CE1 3.48Å; V1609-F1701 HydrophobicContact CG2-CZ 3.42Å; V1609-F1701 VanDerWaalsContact CG2-CZ 3.42Å; E1644-F1701 CarbonylContact C-O 3.55Å; E1644-F1701 WeakPolarHBondContact CA-O 3.5Å; E1644-F1701 WeakPolarHBondContact CB-O 3.24Å; Y1645-F1701 PolarHBondContact N-O 3.38Å; Y1645-F1701 PolarHBondContact O-N 3.47Å; A1647-F1701 HydrophobicContact CB-CD2 4.3Å; A1647-F1701 HydrophobicContact CB-CE2 3.78Å; M1649-F1701 HydrophobicContact CE-CE1 4.47Å; M1649-F1701 HydrophobicContact CE-CE2 3.48Å; M1649-F1701 VanDerWaalsContact CE-CE2 3.48Å; M1649-F1701 HydrophobicContact CE-CZ 3.27Å; L1662-F1701 HydrophobicContact CB-CD1 3.62Å; L1662-F1701 HydrophobicContact CB-CE1 3.88Å; L1662-F1701 HydrophobicContact CB-CG 4.3Å; L1662-F1701 HydrophobicContact CD1-CD1 4.43Å; L1662-F1701 HydrophobicContact CD1-CE1 4.14Å; L1662-F1701 HydrophobicContact CD1-CZ 4.26Å; L1662-F1701 HydrophobicContact CD2-CB 4.06Å; L1662-F1701 HydrophobicContact CD2-CD1 4.11Å; L1662-F1701 HydrophobicContact CD2-CD2 4.38Å; L1662-F1701 HydrophobicContact CD2-CG 3.94Å; L1662-F1701 HydrophobicContact CG-CD1 4.27Å; L1662-F1701 HydrophobicContact CG-CE1 4.44Å; I1675-F1701 CarbonylContact O-C 3.58Å; I1675-F1701 VanDerWaalsContact O-CA 3.31Å; I1675-F1701 WeakPolarHBondContact O-CA 3.42Å; Y1676-F1701 HydrophobicContact CD2-CD1 4.23Å; Y1676-F1701 AromaticContact CD2-CE1 3.68Å; Y1676-F1701 HydrophobicContact CD2-CE1 3.68Å; Y1676-F1701 HydrophobicContact CD2-CE2 4.38Å; Y1676-F1701 AromaticContact CD2-CZ 3.8Å; Y1676-F1701 HydrophobicContact CD2-CZ 3.8Å; Y1676-F1701 HydrophobicContact CG-CD1 4.44Å; Y1676-F1701 HydrophobicContact CG-CE1 4.17Å; G1699-F1701 WeakPolarHBondContact O-CD2 3.21Å; F1701-K1703 PolarHBondContact O-N 2.74Å |
| 1702 | L | 85.5 | Confident | 65.2 | Low | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 129 | 172.5 | -69.6 | 173.7 | 0 | 0 | 0 | 111.1 | F1563 L1573 I1643 G1674 I1675 E1677 T1704 | F1563-L1702 HydrophobicContact CD2-CD2 4.26Å; F1563-L1702 HydrophobicContact CE2-CB 4.41Å; F1563-L1702 HydrophobicContact CE2-CD1 4.49Å; F1563-L1702 HydrophobicContact CE2-CD2 3.99Å; L1573-L1702 HydrophobicContact CB-CD2 4.41Å; L1573-L1702 HydrophobicContact CD2-CD1 4.11Å; L1573-L1702 HydrophobicContact CD2-CD2 4.11Å; L1573-L1702 HydrophobicContact CD2-CG 4.47Å; I1643-L1702 WeakPolarHBondContact O-CA 3.39Å; G1674-L1702 CarbonylContact C-O 3.57Å; G1674-L1702 WeakPolarHBondContact CA-O 3.49Å; I1675-L1702 PolarHBondContact N-O 3.12Å; I1675-L1702 PolarHBondContact O-N 2.94Å; E1677-L1702 HydrophobicContact CB-CD1 4.33Å; E1677-L1702 HydrophobicContact CB-CG 4.18Å; E1677-L1702 HydrophobicContact CG-CD1 4.37Å; E1677-L1702 VanDerWaalsContact OE2-CD1 3.3Å; E1677-L1702 WeakPolarHBondContact OE2-CD1 3.34Å; L1702-T1704 PolarHBondContact O-N 3.49Å |
| 1703 | K | 83.1 | Confident | 64.3 | Low | 14 Ų | 14 | 50.8 Ų | 50.8 | 6% | 0.061 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 127.4 | 176.5 | -65.1 | -167.7 | 176.1 | -172 | 0 | 110.6 | Y1600 P1641 I1643 E1644 Y1645 F1701 Q1705 A1706 | Y1600-K1703 HydrophobicContact CD1-CD 4.25Å; Y1600-K1703 HydrophobicContact CE1-CD 4.26Å; P1641-K1703 VanDerWaalsContact O-CE 3.24Å; P1641-K1703 WeakPolarHBondContact O-CE 3.37Å; P1641-K1703 PolarHBondContact O-NZ 3.15Å; I1643-K1703 PolarHBondContact O-N 3.49Å; E1644-K1703 VanDerWaalsContact O-CE 3.24Å; E1644-K1703 WeakPolarHBondContact O-CE 3.45Å; Y1645-K1703 HydrophobicContact CD2-CD 4.37Å; Y1645-K1703 HydrophobicContact CD2-CG 3.68Å; Y1645-K1703 HydrophobicContact CE1-CD 4.44Å; Y1645-K1703 HydrophobicContact CE2-CB 4.34Å; Y1645-K1703 HydrophobicContact CE2-CD 3.96Å; Y1645-K1703 HydrophobicContact CE2-CG 3.51Å; Y1645-K1703 HydrophobicContact CG-CG 4.37Å; F1701-K1703 PolarHBondContact O-N 2.74Å; K1703-Q1705 PolarHBondContact O-N 2.73Å; K1703-A1706 HydrophobicContact CB-CB 3.9Å; K1703-A1706 WeakPolarHBondContact O-CB 3.3Å; K1703-A1706 PolarHBondContact O-N 2.91Å |
| 1704 | T | 75.2 | Confident | 63.5 | Low | 26 Ų | 26 | 48.5 Ų | 48.5 | 16% | 0.16 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -23.6 | 177.5 | 50 | 0 | 0 | 0 | 0 | 112.5 | L1594 P1595 Q1672 Y1673 I1675 L1702 | L1594-T1704 HydrophobicContact CD2-CG2 4.02Å; P1595-T1704 WeakPolarHBondContact CG-OG1 3.45Å; Q1672-T1704 HydrophobicContact CG-CG2 4.24Å; Q1672-T1704 PolarHBondContact O-OG1 3.07Å; Y1673-T1704 PolarHBondContact O-N 3.33Å; Y1673-T1704 VanDerWaalsContact O-N 3.08Å; Y1673-T1704 PolarHBondContact O-OG1 2.69Å; I1675-T1704 HydrophobicContact CD1-CG2 4.16Å; I1675-T1704 HydrophobicContact CG1-CG2 3.82Å; L1702-T1704 PolarHBondContact O-N 3.49Å |
| 1705 | Q | 65.3 | Low | 62.5 | Low | 20 Ų | 20 | 48.8 Ų | 48.8 | 9% | 0.093 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -21.4 | 177.4 | -49.5 | 87.1 | -24.4 | 0 | 0 | 113.8 | P1595 D1599 Y1673 K1703 G1707 | P1595-Q1705 HydrophobicContact CB-CG 4.32Å; P1595-Q1705 VanDerWaalsContact CG-CD 3.47Å; P1595-Q1705 HydrophobicContact CG-CG 3.76Å; D1599-Q1705 PolarHBondContact O-NE2 3.14Å; Y1673-Q1705 PolarHBondContact O-OE1 3.11Å; K1703-Q1705 PolarHBondContact O-N 2.73Å; Q1705-G1707 PolarHBondContact O-N 3.42Å |
| 1706 | A | 47.6 | Very low | 60.8 | Low | 16 Ų | 16 | 44.8 Ų | 44.8 | 13% | 0.132 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | 4.7 | -163.2 | 0 | 0 | 0 | 0 | 0 | 116 | F1563 I1643 K1703 | F1563-A1706 HydrophobicContact CD1-CB 4.27Å; F1563-A1706 VanDerWaalsContact CD1-O 3.23Å; F1563-A1706 WeakPolarHBondContact CD1-O 3.22Å; F1563-A1706 HydrophobicContact CE1-CB 3.69Å; F1563-A1706 WeakPolarHBondContact CE1-O 3.39Å; F1563-A1706 HydrophobicContact CE2-CB 4.13Å; F1563-A1706 HydrophobicContact CZ-CB 3.57Å; I1643-A1706 HydrophobicContact CB-CB 4.11Å; I1643-A1706 HydrophobicContact CG2-CB 4.02Å; K1703-A1706 HydrophobicContact CB-CB 3.9Å; K1703-A1706 WeakPolarHBondContact O-CB 3.3Å; K1703-A1706 PolarHBondContact O-N 2.91Å |
| 1707 | G | 41.8 | Very low | 59 | Low | 16 Ų | 16 | 45.5 Ų | 45.5 | 17% | 0.165 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -2.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 116 | K1561 Q1705 | K1561-G1707 WeakPolarHBondContact CE-O 3.44Å; K1561-G1707 PolarHBondContact NZ-O 3.42Å; Q1705-G1707 PolarHBondContact O-N 3.42Å |
| 1708 | V | 40.7 | Very low | 56.9 | Low | 113 Ų | 113 | 48.8 Ų | 48.8 | 69% | 0.685 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -84.2 | -20.1 | -171.8 | -163.4 | 0 | 0 | 0 | 0 | 112.8 | T1597 | T1597-V1708 HydrophobicContact CG2-CG2 4.31Š|
| 1709 | K | 35.6 | Very low | 54.7 | Low | 88 Ų | 88 | 53.6 Ų | 53.6 | 38% | 0.383 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -129 | 143.1 | 173.2 | -87.2 | -174.3 | 176.5 | -178.4 | 0 | 112.6 | S504 L505 E506 | S504-K1709 PolarHBondContact O-NZ 2.93Å; L505-K1709 PolarHBondContact O-NZ 3.05Å; E506-K1709 HydrophobicContact CG-CD 4.11Å |
| 1710 | F | 34.8 | Very low | 52.6 | Low | 144 Ų | 144 | 55.4 Ų | 55.4 | 63% | 0.632 | 27% | 0.272 | S | S | * | . | P | Polyproline II helix | trans | -85.4 | 132.1 | 170.2 | -68.1 | -89.7 | 0 | 0 | 0 | 108.9 | ||
| 1711 | V | 39 | Very low | 50.3 | Low | 34 Ų | 34 | 57.6 Ų | 57.6 | 21% | 0.206 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -98.9 | 135.8 | 164.6 | -178.8 | 0 | 0 | 0 | 0 | 107.5 | L1564 E1715 A1716 | L1564-V1711 HydrophobicContact CD2-CB 4.08Å; L1564-V1711 HydrophobicContact CD2-CG1 4.29Å; L1564-V1711 WeakPolarHBondContact CD2-O 3.45Å; V1711-E1715 HydrophobicContact CG1-CB 4.12Å; V1711-A1716 HydrophobicContact CG1-CB 4.42Å |
| 1712 | K | 38.8 | Very low | 48 | Very low | 125 Ų | 125 | 62.4 Ų | 62.4 | 54% | 0.543 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -88.8 | 153.3 | 173.4 | -72 | 179.9 | -178.4 | 174.9 | 0 | 110.5 | K1714 E1715 A1716 | K1712-K1714 PolarHBondContact O-N 2.85Å; K1712-K1714 VanDerWaalsContact O-N 3.15Å; K1712-E1715 PolarHBondContact N-OE2 3.11Å; K1712-E1715 VanDerWaalsContact N-OE2 3.08Å; K1712-E1715 PolarHBondContact O-N 3.13Å; K1712-A1716 PolarHBondContact O-N 3.22Å; K1712-A1716 VanDerWaalsContact O-N 3.15Å |
| 1713 | R | 38 | Very low | 45.8 | Very low | 106 Ų | 106 | 69.2 Ų | 69.2 | 40% | 0.4 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -48 | -44 | 177.3 | -174.3 | 172.7 | -169.7 | 162 | 0.1 | 113 | S1568 E1715 A1716 D1717 | S1568-R1713 PolarHBondContact OG-NH2 3.21Å; R1713-E1715 PolarHBondContact O-N 3.34Å; R1713-A1716 PolarHBondContact O-N 2.85Å; R1713-D1717 VanDerWaalsContact O-CG 3.3Å; R1713-D1717 PolarHBondContact O-N 2.89Å |
| 1714 | K | 44.1 | Very low | 44.1 | Very low | 109 Ų | 109 | 72.5 Ų | 72.5 | 47% | 0.474 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64 | -38 | -179.5 | -155 | -175.4 | -178.6 | -162.9 | 0 | 113.4 | K1712 D1717 E1718 Y1723 | K1712-K1714 PolarHBondContact O-N 2.85Å; K1712-K1714 VanDerWaalsContact O-N 3.15Å; K1714-D1717 PolarHBondContact O-N 3.43Å; K1714-E1718 WeakPolarHBondContact CE-OE1 3.47Å; K1714-E1718 IonicContact NZ-OE1 2.61Å; K1714-E1718 WeakPolarHBondContact O-CB 3.45Å; K1714-E1718 WeakPolarHBondContact O-CG 3.44Å; K1714-E1718 PolarHBondContact O-N 3.22Å; K1714-Y1723 HydrophobicContact CG-CE2 4.04Å |
| 1715 | E | 43.9 | Very low | 42.3 | Very low | 58 Ų | 58 | 82.7 Ų | 82.7 | 27% | 0.271 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -70.9 | -37 | 177.2 | -73.3 | 161.6 | 165.7 | 0 | 0 | 111.2 | V1711 K1712 R1713 I1719 | V1711-E1715 HydrophobicContact CG1-CB 4.12Å; K1712-E1715 PolarHBondContact N-OE2 3.11Å; K1712-E1715 VanDerWaalsContact N-OE2 3.08Å; K1712-E1715 PolarHBondContact O-N 3.13Å; R1713-E1715 PolarHBondContact O-N 3.34Å; E1715-I1719 WeakPolarHBondContact O-CB 3.34Å; E1715-I1719 WeakPolarHBondContact O-CD1 3.49Å; E1715-I1719 WeakPolarHBondContact O-CG1 3.44Å; E1715-I1719 PolarHBondContact O-N 2.94Å |
| 1716 | A | 40.7 | Very low | 41.2 | Very low | 6 Ų | 6 | 85.9 Ų | 85.9 | 5% | 0.05 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -63.2 | -43.9 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | V1711 K1712 R1713 L1720 | V1711-A1716 HydrophobicContact CG1-CB 4.42Å; K1712-A1716 PolarHBondContact O-N 3.22Å; K1712-A1716 VanDerWaalsContact O-N 3.15Å; R1713-A1716 PolarHBondContact O-N 2.85Å; A1716-L1720 WeakPolarHBondContact O-CB 3.41Å; A1716-L1720 WeakPolarHBondContact O-CD1 3.34Å; A1716-L1720 VanDerWaalsContact O-CG 3.23Å; A1716-L1720 WeakPolarHBondContact O-CG 3.35Å; A1716-L1720 PolarHBondContact O-N 3.49Å |
| 1717 | D | 44.2 | Very low | 40.9 | Very low | 40 Ų | 40 | 89.5 Ų | 89.5 | 21% | 0.214 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -70.5 | -35.4 | -179.6 | -63.5 | -26.5 | 0 | 0 | 0 | 112.5 | R1713 K1714 G1721 L1722 Y1723 | R1713-D1717 VanDerWaalsContact O-CG 3.3Å; R1713-D1717 PolarHBondContact O-N 2.89Å; K1714-D1717 PolarHBondContact O-N 3.43Å; D1717-G1721 PolarHBondContact O-N 3.03Å; D1717-L1722 PolarHBondContact O-N 2.94Å; D1717-L1722 VanDerWaalsContact O-N 3.17Å; D1717-Y1723 HydrophobicContact CB-CD2 3.9Å; D1717-Y1723 PolarHBondContact O-N 3.19Å |
| 1718 | E | 43.7 | Very low | 40.8 | Very low | 100 Ų | 100 | 93.6 Ų | 93.6 | 47% | 0.467 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -70.7 | -42.3 | 175.4 | -80.1 | 172.9 | -175.1 | 0 | 0 | 112.1 | K1714 L1720 G1721 Y1723 | K1714-E1718 WeakPolarHBondContact CE-OE1 3.47Å; K1714-E1718 IonicContact NZ-OE1 2.61Å; K1714-E1718 WeakPolarHBondContact O-CB 3.45Å; K1714-E1718 WeakPolarHBondContact O-CG 3.44Å; K1714-E1718 PolarHBondContact O-N 3.22Å; E1718-L1720 PolarHBondContact O-N 2.93Å; E1718-G1721 PolarHBondContact O-N 3.01Å; E1718-Y1723 HydrophobicContact CG-CG 4.37Å |
| 1719 | I | 41 | Very low | 40.8 | Very low | 102 Ų | 102 | 92.5 Ų | 92.5 | 52% | 0.523 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.8 | -30.1 | 176.5 | -70 | 167.3 | 0 | 0 | 0 | 111.6 | E1715 | E1715-I1719 WeakPolarHBondContact O-CB 3.34Å; E1715-I1719 WeakPolarHBondContact O-CD1 3.49Å; E1715-I1719 WeakPolarHBondContact O-CG1 3.44Å; E1715-I1719 PolarHBondContact O-N 2.94Å |
| 1720 | L | 42.9 | Very low | 41.1 | Very low | 37 Ų | 37 | 92.8 Ų | 92.8 | 19% | 0.194 | 47% | 0.47 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -4.7 | 179.3 | -70.9 | 173.7 | 0 | 0 | 0 | 114.4 | Y1640 A1716 E1718 L1722 | Y1640-L1720 HydrophobicContact CE1-CD1 3.57Å; Y1640-L1720 HydrophobicContact CE1-CD2 4.33Å; Y1640-L1720 HydrophobicContact CE1-CG 4.17Å; Y1640-L1720 VanDerWaalsContact OH-CD1 3.32Å; Y1640-L1720 WeakPolarHBondContact OH-CD1 3.42Å; A1716-L1720 WeakPolarHBondContact O-CB 3.41Å; A1716-L1720 WeakPolarHBondContact O-CD1 3.34Å; A1716-L1720 VanDerWaalsContact O-CG 3.23Å; A1716-L1720 WeakPolarHBondContact O-CG 3.35Å; A1716-L1720 PolarHBondContact O-N 3.49Å; E1718-L1720 PolarHBondContact O-N 2.93Å; L1720-L1722 HydrophobicContact CB-CB 4.44Å; L1720-L1722 HydrophobicContact CB-CD1 3.97Å; L1720-L1722 HydrophobicContact CB-CG 4.1Å; L1720-L1722 HydrophobicContact CD1-CD1 4.12Å; L1720-L1722 PolarHBondContact O-N 2.97Å; L1720-L1722 VanDerWaalsContact O-N 3.17Å |
| 1721 | G | 40 | Very low | 41.6 | Very low | 53 Ų | 53 | 89.3 Ų | 89.3 | 55% | 0.546 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 21.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | D1717 E1718 | D1717-G1721 PolarHBondContact O-N 3.03Å; E1718-G1721 PolarHBondContact O-N 3.01Å |
| 1722 | L | 42.9 | Very low | 41.7 | Very low | 101 Ų | 101 | 93.3 Ų | 93.3 | 53% | 0.529 | 48% | 0.477 | S | S | . | . | trans | -93.4 | -10.6 | 176.6 | -71.1 | 170.4 | 0 | 0 | 0 | 111.8 | D1717 L1720 G1724 K1725 | D1717-L1722 PolarHBondContact O-N 2.94Å; D1717-L1722 VanDerWaalsContact O-N 3.17Å; L1720-L1722 HydrophobicContact CB-CB 4.44Å; L1720-L1722 HydrophobicContact CB-CD1 3.97Å; L1720-L1722 HydrophobicContact CB-CG 4.1Å; L1720-L1722 HydrophobicContact CD1-CD1 4.12Å; L1720-L1722 PolarHBondContact O-N 2.97Å; L1720-L1722 VanDerWaalsContact O-N 3.17Å; L1722-G1724 PolarHBondContact O-N 2.87Å; L1722-K1725 PolarHBondContact O-N 2.84Å | ||
| 1723 | Y | 37.6 | Very low | 42 | Very low | 145 Ų | 145 | 90.8 Ų | 90.8 | 57% | 0.569 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | 104.1 | 173.7 | -149.9 | -90.1 | 0 | 0 | 0 | 110.2 | K1714 D1717 E1718 | K1714-Y1723 HydrophobicContact CG-CE2 4.04Å; D1717-Y1723 HydrophobicContact CB-CD2 3.9Å; D1717-Y1723 PolarHBondContact O-N 3.19Å; E1718-Y1723 HydrophobicContact CG-CG 4.37Å |
| 1724 | G | 48.1 | Very low | 42.3 | Very low | 83 Ų | 83 | 89.6 Ų | 89.6 | 86% | 0.856 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.9 | 8.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | L1722 | L1722-G1724 PolarHBondContact O-N 2.87Š|
| 1725 | K | 38.5 | Very low | 42.1 | Very low | 241 Ų | 241 | 87.8 Ų | 87.8 | 100% | 1.048 | 48% | 0.479 | S | S | * | . | trans | -106.7 | 0 | 167.9 | -85.6 | -170 | 175.8 | -178.8 | 0 | 112.6 | L1722 | L1722-K1725 PolarHBondContact O-N 2.84Š|
Retrieved 1,725 of 1,725 residues in 1207.9 ms
(Link to these results)