| 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 | 49.4 | Very low | 78.8 | Confident | 171 Ų | 171 | 59.9 Ų | 59.9 | 84% | 0.842 | 36% | 0.36 | S | S | * | . | 0 | -14.5 | 0 | -84.2 | -160.1 | -81.3 | 0 | 0 | 115.9 | S5 E18 | M1-S5 WeakPolarHBondContact O-CB 3.1Å; M1-S5 PolarHBondContact O-OG 3.17Å; M1-E18 WeakPolarHBondContact CA-OE1 3.23Å; M1-E18 PolarHBondContact N-OE1 2.86Å | |||
| 2 | A | 57.3 | Low | 80 | Confident | 62 Ų | 62 | 60.6 Ų | 60.6 | 51% | 0.512 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -78.2 | -50.8 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115 | F4 S5 E6 | A2-F4 PolarHBondContact O-N 3.21Å; A2-S5 PolarHBondContact O-N 2.65Å; A2-E6 WeakPolarHBondContact O-CG 3.49Å; A2-E6 PolarHBondContact O-N 3.13Å |
| 3 | A | 73.4 | Confident | 81.1 | Confident | 23 Ų | 23 | 55.9 Ų | 55.9 | 19% | 0.19 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67 | -44.7 | -160.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | L24 | A3-L24 HydrophobicContact CB-CD2 3.9Å |
| 4 | F | 81.8 | Confident | 81.7 | Confident | 10 Ų | 10 | 52.1 Ų | 52.1 | 4% | 0.044 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -75.1 | -33.3 | 177.2 | -81.8 | -95.1 | 0 | 0 | 0 | 112.9 | A2 E6 M7 V9 A14 V17 W22 P25 I33 I58 | A2-F4 PolarHBondContact O-N 3.21Å; F4-E6 VanDerWaalsContact C-N 3.3Å; F4-E6 PolarHBondContact O-N 2.84Å; F4-M7 HydrophobicContact CB-CE 4.11Å; F4-M7 HydrophobicContact CD1-CE 3.29Å; F4-M7 HydrophobicContact CD2-CE 4.48Å; F4-M7 HydrophobicContact CE1-CE 3.74Å; F4-M7 HydrophobicContact CG-CE 3.71Å; F4-M7 HydrophobicContact CZ-CE 4.49Å; F4-M7 PolarHBondContact O-N 3.09Å; F4-V9 HydrophobicContact CB-CB 4.35Å; F4-V9 HydrophobicContact CB-CG2 4.47Å; F4-V9 HydrophobicContact CD1-CG2 4.36Å; F4-V9 VanDerWaalsContact O-CB 3.29Å; F4-V9 WeakPolarHBondContact O-CB 3.36Å; F4-V9 WeakPolarHBondContact O-CG2 3.41Å; F4-V9 PolarHBondContact O-N 2.99Å; F4-A14 HydrophobicContact CB-CB 4.3Å; F4-V17 HydrophobicContact CD1-CG1 4.35Å; F4-V17 HydrophobicContact CD2-CG1 3.97Å; F4-V17 HydrophobicContact CE1-CG1 4.06Å; F4-V17 HydrophobicContact CE2-CG1 3.64Å; F4-V17 HydrophobicContact CG-CG1 4.32Å; F4-V17 HydrophobicContact CZ-CG1 3.7Å; F4-W22 HydrophobicContact CE2-CB 4.46Å; F4-W22 HydrophobicContact CZ-CE3 4.24Å; F4-P25 HydrophobicContact CE1-CB 4.09Å; F4-P25 HydrophobicContact CE2-CB 4.06Å; F4-P25 HydrophobicContact CZ-CB 3.76Å; F4-I33 HydrophobicContact CD1-CD1 4.38Å; F4-I33 HydrophobicContact CE1-CD1 4.13Å; F4-I58 HydrophobicContact CD1-CD1 4.4Å; F4-I58 HydrophobicContact CE1-CD1 3.96Å |
| 5 | S | 83.3 | Confident | 82.3 | Confident | 48 Ų | 48 | 55.1 Ų | 55.1 | 34% | 0.336 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.1 | -34.1 | 177.5 | -52.2 | 0 | 0 | 0 | 0 | 112.1 | M1 A2 M7 G8 | M1-S5 WeakPolarHBondContact O-CB 3.1Å; M1-S5 PolarHBondContact O-OG 3.17Å; A2-S5 PolarHBondContact O-N 2.65Å; S5-M7 PolarHBondContact O-N 3.33Å; S5-G8 PolarHBondContact O-N 3.42Å |
| 6 | E | 78.6 | Confident | 82.9 | Confident | 161 Ų | 161 | 51.8 Ų | 51.8 | 75% | 0.752 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -61.8 | -25.2 | 175.6 | -77.8 | 171.2 | -163.1 | 0 | 0 | 113.1 | A2 F4 G8 | A2-E6 WeakPolarHBondContact O-CG 3.49Å; A2-E6 PolarHBondContact O-N 3.13Å; F4-E6 VanDerWaalsContact C-N 3.3Å; F4-E6 PolarHBondContact O-N 2.84Å; E6-G8 VanDerWaalsContact C-N 3.28Å; E6-G8 PolarHBondContact O-N 2.84Å |
| 7 | M | 82.6 | Confident | 83.2 | Confident | 27 Ų | 27 | 48.8 Ų | 48.8 | 13% | 0.133 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 2.7 | 176 | -58.9 | -174.9 | -73.9 | 0 | 0 | 113.6 | F4 S5 V9 P25 A30 I33 P34 L37 | F4-M7 HydrophobicContact CB-CE 4.11Å; F4-M7 HydrophobicContact CD1-CE 3.29Å; F4-M7 HydrophobicContact CD2-CE 4.48Å; F4-M7 HydrophobicContact CE1-CE 3.74Å; F4-M7 HydrophobicContact CG-CE 3.71Å; F4-M7 HydrophobicContact CZ-CE 4.49Å; F4-M7 PolarHBondContact O-N 3.09Å; S5-M7 PolarHBondContact O-N 3.33Å; M7-V9 HydrophobicContact CB-CG2 4.47Å; M7-P25 HydrophobicContact CE-CB 3.55Å; M7-P25 HydrophobicContact CE-CG 3.78Å; M7-P25 HydrophobicContact SD-CB 4.06Å; M7-P25 HydrophobicContact SD-CG 4.1Å; M7-A30 VanDerWaalsContact SD-CA 3.59Å; M7-A30 HydrophobicContact SD-CB 4.44Å; M7-I33 HydrophobicContact CB-CG2 4.23Å; M7-I33 HydrophobicContact CE-CD1 3.95Å; M7-I33 HydrophobicContact SD-CB 4.4Å; M7-I33 HydrophobicContact SD-CD1 4.37Å; M7-P34 HydrophobicContact CB-CG 4.19Å; M7-P34 HydrophobicContact CG-CG 4.46Å; M7-L37 WeakPolarHBondContact O-CD1 3.49Å |
| 8 | G | 84.2 | Confident | 83.3 | Confident | 42 Ų | 42 | 49.9 Ų | 49.9 | 43% | 0.433 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.3 | 12.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | S5 E6 Q62 | S5-G8 PolarHBondContact O-N 3.42Å; E6-G8 VanDerWaalsContact C-N 3.28Å; E6-G8 PolarHBondContact O-N 2.84Å; G8-Q62 PolarHBondContact O-NE2 2.98Å |
| 9 | V | 91.9 | Very high | 83.5 | Confident | 6 Ų | 6 | 51.9 Ų | 51.9 | 4% | 0.036 | 29% | 0.29 | C | S | . | . | trans | -71.9 | 133.4 | 174.6 | -177.9 | 0 | 0 | 0 | 0 | 110.2 | F4 M7 I13 A14 I33 I58 | F4-V9 HydrophobicContact CB-CB 4.35Å; F4-V9 HydrophobicContact CB-CG2 4.47Å; F4-V9 HydrophobicContact CD1-CG2 4.36Å; F4-V9 VanDerWaalsContact O-CB 3.29Å; F4-V9 WeakPolarHBondContact O-CB 3.36Å; F4-V9 WeakPolarHBondContact O-CG2 3.41Å; F4-V9 PolarHBondContact O-N 2.99Å; M7-V9 HydrophobicContact CB-CG2 4.47Å; V9-I13 HydrophobicContact CG1-CB 3.91Å; V9-I13 HydrophobicContact CG1-CG2 3.91Å; V9-A14 HydrophobicContact CG1-CB 4.42Å; V9-I33 HydrophobicContact CG2-CG2 3.79Å; V9-I58 HydrophobicContact CB-CG2 4.46Å; V9-I58 HydrophobicContact CG1-CG2 3.76Å; V9-I58 HydrophobicContact CG2-CG2 3.79Å | ||
| 10 | M | 92.9 | Very high | 83.5 | Confident | 19 Ų | 19 | 51.6 Ų | 51.6 | 9% | 0.094 | 29% | 0.286 | C | S | . | . | trans | -64.9 | 146.8 | -179.8 | 65.7 | -177.8 | -68.6 | 0 | 0 | 112.5 | E12 I13 A14 Q62 Y65 V313 | M10-E12 VanDerWaalsContact C-N 3.27Å; M10-E12 HydrophobicContact CE-CB 4Å; M10-E12 VanDerWaalsContact CE-CD 3.46Å; M10-E12 HydrophobicContact CE-CG 4.15Å; M10-E12 WeakPolarHBondContact CE-OE2 3.33Å; M10-E12 PolarHBondContact O-N 3.13Å; M10-E12 VanDerWaalsContact O-N 3.15Å; M10-I13 HydrophobicContact CG-CB 3.95Å; M10-I13 HydrophobicContact CG-CD1 3.62Å; M10-I13 HydrophobicContact CG-CG1 3.59Å; M10-I13 PolarHBondContact O-N 2.86Å; M10-I13 VanDerWaalsContact O-N 3.1Å; M10-I13 HydrophobicContact SD-CD1 3.63Å; M10-I13 HydrophobicContact SD-CG1 3.86Å; M10-A14 PolarHBondContact O-N 3.25Å; M10-Q62 HydrophobicContact CB-CG 4.48Å; M10-Q62 HydrophobicContact CG-CG 4.21Å; M10-Q62 HydrophobicContact SD-CB 4.4Å; M10-Q62 HydrophobicContact SD-CG 4.02Å; M10-Y65 HydrophobicContact CE-CD1 3.74Å; M10-Y65 HydrophobicContact CE-CE1 3.37Å; M10-Y65 HydrophobicContact SD-CD1 3.74Å; M10-Y65 HydrophobicContact SD-CE1 4.02Å; M10-V313 HydrophobicContact CE-CG2 4.42Å | ||
| 11 | P | 91.7 | Very high | 83.4 | Confident | 90 Ų | 90 | 55.9 Ų | 55.9 | 58% | 0.584 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -54.4 | -37.9 | -174.3 | -27.7 | 35.3 | 0 | 0 | 0 | 114.6 | A14 Q15 | P11-A14 PolarHBondContact O-N 2.96Å; P11-Q15 WeakPolarHBondContact O-CB 3.45Å; P11-Q15 PolarHBondContact O-N 3.5Å |
| 12 | E | 92.9 | Very high | 84.9 | Confident | 68 Ų | 68 | 51.2 Ų | 51.2 | 32% | 0.318 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.3 | -39.4 | -177.7 | -59.4 | 85.7 | 154.6 | 0 | 0 | 111.6 | M10 A16 N312 V313 | M10-E12 VanDerWaalsContact C-N 3.27Å; M10-E12 HydrophobicContact CE-CB 4Å; M10-E12 VanDerWaalsContact CE-CD 3.46Å; M10-E12 HydrophobicContact CE-CG 4.15Å; M10-E12 WeakPolarHBondContact CE-OE2 3.33Å; M10-E12 PolarHBondContact O-N 3.13Å; M10-E12 VanDerWaalsContact O-N 3.15Å; E12-A16 PolarHBondContact O-N 3.47Å; E12-N312 HydrophobicContact CB-CB 4.22Å; E12-N312 WeakPolarHBondContact O-CB 3.35Å; E12-V313 HydrophobicContact CB-CG2 4.19Å |
| 13 | I | 93.8 | Very high | 85.7 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -74.2 | -40.9 | 175.5 | -61.1 | 176.2 | 0 | 0 | 0 | 109.9 | V9 M10 Q15 A16 V17 I58 I61 Q62 V313 | V9-I13 HydrophobicContact CG1-CB 3.91Å; V9-I13 HydrophobicContact CG1-CG2 3.91Å; M10-I13 HydrophobicContact CG-CB 3.95Å; M10-I13 HydrophobicContact CG-CD1 3.62Å; M10-I13 HydrophobicContact CG-CG1 3.59Å; M10-I13 PolarHBondContact O-N 2.86Å; M10-I13 VanDerWaalsContact O-N 3.1Å; M10-I13 HydrophobicContact SD-CD1 3.63Å; M10-I13 HydrophobicContact SD-CG1 3.86Å; I13-Q15 VanDerWaalsContact C-N 3.27Å; I13-Q15 PolarHBondContact O-N 2.74Å; I13-A16 WeakPolarHBondContact O-CB 3.47Å; I13-A16 PolarHBondContact O-N 2.74Å; I13-A16 VanDerWaalsContact O-N 3.08Å; I13-V17 HydrophobicContact CG2-CG2 4.35Å; I13-V17 WeakPolarHBondContact O-CG2 3.28Å; I13-V17 PolarHBondContact O-N 2.99Å; I13-I58 HydrophobicContact CG2-CG1 4.28Å; I13-I58 HydrophobicContact CG2-CG2 3.93Å; I13-I61 HydrophobicContact CD1-CB 4.3Å; I13-I61 HydrophobicContact CD1-CG2 3.75Å; I13-I61 HydrophobicContact CG1-CG2 4.49Å; I13-Q62 HydrophobicContact CD1-CB 3.83Å; I13-V313 HydrophobicContact CG1-CG2 3.8Å |
| 14 | A | 90.6 | Very high | 85.9 | Confident | 3 Ų | 3 | 59.8 Ų | 59.8 | 3% | 0.025 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.1 | -41.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | F4 V9 M10 P11 V17 E18 | F4-A14 HydrophobicContact CB-CB 4.3Å; V9-A14 HydrophobicContact CG1-CB 4.42Å; M10-A14 PolarHBondContact O-N 3.25Å; P11-A14 PolarHBondContact O-N 2.96Å; A14-V17 PolarHBondContact O-N 2.95Å; A14-E18 WeakPolarHBondContact O-CG 3.34Å; A14-E18 PolarHBondContact O-N 2.89Å |
| 15 | Q | 90.5 | Very high | 86 | Confident | 97 Ų | 97 | 60.8 Ų | 60.8 | 45% | 0.453 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 173.7 | -175.3 | -171.6 | -19.1 | 0 | 0 | 111.8 | P11 I13 V17 E18 E19 | P11-Q15 WeakPolarHBondContact O-CB 3.45Å; P11-Q15 PolarHBondContact O-N 3.5Å; I13-Q15 VanDerWaalsContact C-N 3.27Å; I13-Q15 PolarHBondContact O-N 2.74Å; Q15-V17 VanDerWaalsContact C-N 3.26Å; Q15-V17 PolarHBondContact O-N 3.07Å; Q15-E18 PolarHBondContact O-N 3.27Å; Q15-E19 PolarHBondContact NE2-OE1 2.93Å; Q15-E19 WeakPolarHBondContact O-CG 3.34Å; Q15-E19 PolarHBondContact O-N 2.92Å |
| 16 | A | 91.4 | Very high | 86.1 | Confident | 2 Ų | 2 | 61 Ų | 61 | 2% | 0.017 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.5 | -36.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | E12 I13 M20 F309 N312 | E12-A16 PolarHBondContact O-N 3.47Å; I13-A16 WeakPolarHBondContact O-CB 3.47Å; I13-A16 PolarHBondContact O-N 2.74Å; I13-A16 VanDerWaalsContact O-N 3.08Å; A16-M20 WeakPolarHBondContact O-CG 3.08Å; A16-M20 PolarHBondContact O-N 2.94Å; A16-F309 WeakPolarHBondContact CB-O 3.43Å; A16-N312 PolarHBondContact N-ND2 3.42Å |
| 17 | V | 88.9 | Confident | 86.3 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -69.4 | -40.4 | 175.7 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | F4 I13 A14 Q15 E19 M20 W22 I58 F309 | F4-V17 HydrophobicContact CD1-CG1 4.35Å; F4-V17 HydrophobicContact CD2-CG1 3.97Å; F4-V17 HydrophobicContact CE1-CG1 4.06Å; F4-V17 HydrophobicContact CE2-CG1 3.64Å; F4-V17 HydrophobicContact CG-CG1 4.32Å; F4-V17 HydrophobicContact CZ-CG1 3.7Å; I13-V17 HydrophobicContact CG2-CG2 4.35Å; I13-V17 WeakPolarHBondContact O-CG2 3.28Å; I13-V17 PolarHBondContact O-N 2.99Å; A14-V17 PolarHBondContact O-N 2.95Å; Q15-V17 VanDerWaalsContact C-N 3.26Å; Q15-V17 PolarHBondContact O-N 3.07Å; V17-E19 PolarHBondContact O-N 2.91Å; V17-M20 WeakPolarHBondContact O-CB 3.44Å; V17-M20 PolarHBondContact O-N 2.85Å; V17-M20 VanDerWaalsContact O-N 3.07Å; V17-W22 HydrophobicContact CG1-CB 3.39Å; V17-W22 HydrophobicContact CG1-CD2 4.19Å; V17-W22 HydrophobicContact CG1-CE3 3.79Å; V17-W22 HydrophobicContact CG1-CG 4.11Å; V17-W22 WeakPolarHBondContact O-CB 3.43Å; V17-W22 PolarHBondContact O-N 2.84Å; V17-I58 HydrophobicContact CG2-CD1 3.86Å; V17-I58 HydrophobicContact CG2-CG1 4.41Å; V17-F309 HydrophobicContact CG2-CD1 3.95Å; V17-F309 HydrophobicContact CG2-CE1 4.32Å |
| 18 | E | 84.6 | Confident | 86.6 | Confident | 69 Ų | 69 | 58 Ų | 58 | 32% | 0.322 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.9 | -39.2 | 173.5 | -74.9 | -178.3 | 179.6 | 0 | 0 | 112.6 | M1 A14 Q15 M20 D21 | M1-E18 WeakPolarHBondContact CA-OE1 3.23Å; M1-E18 PolarHBondContact N-OE1 2.86Å; A14-E18 WeakPolarHBondContact O-CG 3.34Å; A14-E18 PolarHBondContact O-N 2.89Å; Q15-E18 PolarHBondContact O-N 3.27Å; E18-M20 PolarHBondContact O-N 3.12Å; E18-M20 VanDerWaalsContact O-N 3.16Å; E18-D21 PolarHBondContact O-N 2.77Å |
| 19 | E | 86.4 | Confident | 86.9 | Confident | 88 Ų | 88 | 56.1 Ų | 56.1 | 41% | 0.411 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -15.7 | 174 | -72 | 173.8 | -154.4 | 0 | 0 | 113.4 | Q15 V17 K311 N312 | Q15-E19 PolarHBondContact NE2-OE1 2.93Å; Q15-E19 WeakPolarHBondContact O-CG 3.34Å; Q15-E19 PolarHBondContact O-N 2.92Å; V17-E19 PolarHBondContact O-N 2.91Å; E19-K311 IonicContact OE2-NZ 2.71Å; E19-K311 PolarHBondContact OE2-NZ 3.44Å; E19-N312 PolarHBondContact OE1-ND2 3.04Å |
| 20 | M | 83.4 | Confident | 86.7 | Confident | 46 Ų | 46 | 57.6 Ų | 57.6 | 23% | 0.227 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 11 | 173.6 | -63.3 | 173 | 61.8 | 0 | 0 | 112.8 | A16 V17 E18 W22 Q308 F309 | A16-M20 WeakPolarHBondContact O-CG 3.08Å; A16-M20 PolarHBondContact O-N 2.94Å; V17-M20 WeakPolarHBondContact O-CB 3.44Å; V17-M20 PolarHBondContact O-N 2.85Å; V17-M20 VanDerWaalsContact O-N 3.07Å; E18-M20 PolarHBondContact O-N 3.12Å; E18-M20 VanDerWaalsContact O-N 3.16Å; M20-W22 HydrophobicContact CE-CZ2 4.38Å; M20-W22 VanDerWaalsContact O-CD1 3.24Å; M20-W22 PolarHBondContact O-N 3.2Å; M20-Q308 HydrophobicContact CE-CB 4.25Å; M20-Q308 HydrophobicContact SD-CB 3.69Å; M20-F309 HydrophobicContact CE-CD1 4.47Å; M20-F309 HydrophobicContact CE-CE1 3.83Å; M20-F309 HydrophobicContact SD-CD1 3.85Å; M20-F309 HydrophobicContact SD-CE1 3.75Å |
| 21 | D | 81.2 | Confident | 86.4 | Confident | 141 Ų | 141 | 61.9 Ų | 61.9 | 75% | 0.754 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.9 | 23.6 | -176.3 | -60.7 | -50 | 0 | 0 | 0 | 114.2 | E18 L23 | E18-D21 PolarHBondContact O-N 2.77Å; D21-L23 PolarHBondContact O-N 3.07Å |
| 22 | W | 81.4 | Confident | 86.5 | Confident | 74 Ų | 74 | 57.6 Ų | 57.6 | 28% | 0.28 | 30% | 0.296 | S | S | . | . | trans | -88.9 | 81.6 | 175 | -70.9 | 20.6 | 0 | 0 | 0 | 110 | F4 V17 M20 F309 | F4-W22 HydrophobicContact CE2-CB 4.46Å; F4-W22 HydrophobicContact CZ-CE3 4.24Å; V17-W22 HydrophobicContact CG1-CB 3.39Å; V17-W22 HydrophobicContact CG1-CD2 4.19Å; V17-W22 HydrophobicContact CG1-CE3 3.79Å; V17-W22 HydrophobicContact CG1-CG 4.11Å; V17-W22 WeakPolarHBondContact O-CB 3.43Å; V17-W22 PolarHBondContact O-N 2.84Å; M20-W22 HydrophobicContact CE-CZ2 4.38Å; M20-W22 VanDerWaalsContact O-CD1 3.24Å; M20-W22 PolarHBondContact O-N 3.2Å; W22-F309 HydrophobicContact CE3-CE1 4.49Å; W22-F309 AromaticContact CH2-CE1 3.96Å; W22-F309 HydrophobicContact CH2-CE1 3.96Å; W22-F309 AromaticContact CH2-CZ 3.69Å; W22-F309 HydrophobicContact CH2-CZ 3.69Å; W22-F309 AromaticContact CZ3-CE1 3.9Å; W22-F309 HydrophobicContact CZ3-CE1 3.9Å; W22-F309 AromaticContact CZ3-CZ 3.89Å; W22-F309 HydrophobicContact CZ3-CZ 3.89Å | ||
| 23 | L | 74.4 | Confident | 86.5 | Confident | 134 Ų | 134 | 54.4 Ų | 54.4 | 70% | 0.702 | 28% | 0.281 | S | S | * | . | trans | -71.8 | -32.4 | -176.5 | -62.3 | 175.3 | 0 | 0 | 0 | 113.5 | D21 | D21-L23 PolarHBondContact O-N 3.07Š| ||
| 24 | L | 77.2 | Confident | 86.2 | Confident | 131 Ų | 131 | 57 Ų | 57 | 69% | 0.686 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -132.5 | 142 | -179.2 | -66 | 174.3 | 0 | 0 | 0 | 109.9 | A3 | A3-L24 HydrophobicContact CB-CD2 3.9Š|
| 25 | P | 83.8 | Confident | 86.1 | Confident | 30 Ų | 30 | 59.6 Ų | 59.6 | 20% | 0.195 | 31% | 0.311 | C | S | . | . | trans | -66.1 | 141.9 | 172 | 29.7 | -34.5 | 0 | 0 | 0 | 110.1 | F4 M7 Q29 A30 | F4-P25 HydrophobicContact CE1-CB 4.09Å; F4-P25 HydrophobicContact CE2-CB 4.06Å; F4-P25 HydrophobicContact CZ-CB 3.76Å; M7-P25 HydrophobicContact CE-CB 3.55Å; M7-P25 HydrophobicContact CE-CG 3.78Å; M7-P25 HydrophobicContact SD-CB 4.06Å; M7-P25 HydrophobicContact SD-CG 4.1Å; P25-Q29 HydrophobicContact CB-CB 4.03Å; P25-A30 HydrophobicContact CB-CB 4.49Å; P25-A30 HydrophobicContact CG-CB 4.43Å | ||
| 26 | T | 85.6 | Confident | 86.3 | Confident | 54 Ų | 54 | 55 Ų | 55 | 33% | 0.331 | 29% | 0.289 | S | S | . | . | trans | -67.4 | 157 | 165.6 | 58.8 | 0 | 0 | 0 | 0 | 109.9 | I28 Q29 A30 S50 | T26-I28 PolarHBondContact O-N 3.38Å; T26-I28 VanDerWaalsContact O-N 3.1Å; T26-I28 WeakPolarHBondContact OG1-CG2 3.42Å; T26-Q29 WeakPolarHBondContact O-CA 3.45Å; T26-Q29 WeakPolarHBondContact O-CB 3.25Å; T26-Q29 PolarHBondContact O-N 2.56Å; T26-Q29 WeakPolarHBondContact OG1-CG 3.35Å; T26-Q29 PolarHBondContact OG1-OE1 2.53Å; T26-A30 PolarHBondContact O-N 3.19Å; T26-S50 WeakPolarHBondContact CB-O 3.19Å; T26-S50 WeakPolarHBondContact CG2-O 3.03Å; T26-S50 PolarHBondContact OG1-O 3.17Å; T26-S50 VanDerWaalsContact OG1-O 3.11Å | ||
| 27 | D | 83.6 | Confident | 86.1 | Confident | 122 Ų | 122 | 57 Ų | 57 | 65% | 0.652 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -50.3 | -41.8 | 178.7 | -57.2 | -24.9 | 0 | 0 | 0 | 112.8 | Q29 A30 E31 L431 | D27-Q29 VanDerWaalsContact C-N 3.27Å; D27-Q29 PolarHBondContact O-N 3.02Å; D27-A30 PolarHBondContact O-N 3.14Å; D27-E31 WeakPolarHBondContact O-CG 3.39Å; D27-E31 PolarHBondContact O-N 3.22Å; D27-L431 VanDerWaalsContact C-CD1 3.48Å; D27-L431 HydrophobicContact CB-CD1 3.55Å |
| 28 | I | 88.6 | Confident | 85.6 | Confident | 2 Ų | 2 | 60.3 Ų | 60.3 | 1% | 0.01 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.7 | -32.2 | 179.7 | -163.6 | 59 | 0 | 0 | 0 | 112.6 | T26 S32 M44 A46 S50 K52 A55 V429 L431 | T26-I28 PolarHBondContact O-N 3.38Å; T26-I28 VanDerWaalsContact O-N 3.1Å; T26-I28 WeakPolarHBondContact OG1-CG2 3.42Å; I28-S32 WeakPolarHBondContact O-CB 3.33Å; I28-S32 PolarHBondContact O-N 2.87Å; I28-S32 VanDerWaalsContact O-N 3.09Å; I28-S32 PolarHBondContact O-OG 2.85Å; I28-M44 HydrophobicContact CD1-CB 4.09Å; I28-M44 HydrophobicContact CG1-SD 4.44Å; I28-A46 HydrophobicContact CB-CB 4.14Å; I28-A46 HydrophobicContact CD1-CB 3.93Å; I28-A46 HydrophobicContact CG1-CB 3.82Å; I28-S50 WeakPolarHBondContact CG2-O 3.32Å; I28-K52 HydrophobicContact CG1-CG 4.18Å; I28-A55 HydrophobicContact CG2-CB 4.46Å; I28-V429 HydrophobicContact CD1-CB 4.45Å; I28-V429 HydrophobicContact CD1-CG1 3.66Å; I28-L431 VanDerWaalsContact CA-CD1 3.43Å; I28-L431 HydrophobicContact CB-CD1 3.75Å; I28-L431 HydrophobicContact CD1-CD1 3.83Å; I28-L431 HydrophobicContact CD1-CG 4.07Å; I28-L431 HydrophobicContact CG1-CD1 4.4Å |
| 29 | Q | 90.9 | Very high | 85.4 | Confident | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.009 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -75.1 | -43.8 | 175.9 | -68.8 | 164.7 | -5.6 | 0 | 0 | 110.4 | P25 T26 D27 E31 S32 I33 G51 A55 | P25-Q29 HydrophobicContact CB-CB 4.03Å; T26-Q29 WeakPolarHBondContact O-CA 3.45Å; T26-Q29 WeakPolarHBondContact O-CB 3.25Å; T26-Q29 PolarHBondContact O-N 2.56Å; T26-Q29 WeakPolarHBondContact OG1-CG 3.35Å; T26-Q29 PolarHBondContact OG1-OE1 2.53Å; D27-Q29 VanDerWaalsContact C-N 3.27Å; D27-Q29 PolarHBondContact O-N 3.02Å; Q29-E31 VanDerWaalsContact C-N 3.31Å; Q29-E31 PolarHBondContact O-N 3.4Å; Q29-S32 PolarHBondContact O-N 3.1Å; Q29-I33 HydrophobicContact CB-CD1 3.84Å; Q29-I33 HydrophobicContact CB-CG1 4.46Å; Q29-I33 HydrophobicContact CG-CD1 4.44Å; Q29-I33 VanDerWaalsContact O-CB 3.25Å; Q29-I33 WeakPolarHBondContact O-CB 3.07Å; Q29-I33 WeakPolarHBondContact O-CG1 3.34Å; Q29-I33 PolarHBondContact O-N 2.82Å; Q29-G51 PolarHBondContact NE2-O 3.03Å; Q29-A55 HydrophobicContact CB-CB 4.45Å; Q29-A55 HydrophobicContact CG-CB 3.88Å |
| 30 | A | 86.6 | Confident | 84.8 | Confident | 37 Ų | 37 | 55.4 Ų | 55.4 | 31% | 0.306 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -57.4 | -43.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | M7 P25 T26 D27 P34 | M7-A30 VanDerWaalsContact SD-CA 3.59Å; M7-A30 HydrophobicContact SD-CB 4.44Å; P25-A30 HydrophobicContact CB-CB 4.49Å; P25-A30 HydrophobicContact CG-CB 4.43Å; T26-A30 PolarHBondContact O-N 3.19Å; D27-A30 PolarHBondContact O-N 3.14Å; A30-P34 WeakPolarHBondContact O-CD 3.35Å; A30-P34 WeakPolarHBondContact O-CG 3.45Å |
| 31 | E | 86.6 | Confident | 85 | Confident | 110 Ų | 110 | 53.3 Ų | 53.3 | 51% | 0.514 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -78.2 | -43.5 | 179.3 | -65.6 | -60.2 | 147.6 | 0 | 0 | 112.5 | D27 Q29 L35 V429 | D27-E31 WeakPolarHBondContact O-CG 3.39Å; D27-E31 PolarHBondContact O-N 3.22Å; Q29-E31 VanDerWaalsContact C-N 3.31Å; Q29-E31 PolarHBondContact O-N 3.4Å; E31-L35 VanDerWaalsContact O-CD1 3.28Å; E31-L35 WeakPolarHBondContact O-CD1 3.35Å; E31-L35 VanDerWaalsContact O-CG 3.31Å; E31-L35 WeakPolarHBondContact O-CG 3.49Å; E31-V429 HydrophobicContact CB-CG1 3.53Å; E31-V429 HydrophobicContact CB-CG2 4.43Å; E31-V429 HydrophobicContact CG-CG1 4.32Å |
| 32 | S | 93.4 | Very high | 85.6 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -81.7 | -36.5 | -170 | -54.1 | 0 | 0 | 0 | 0 | 113.9 | I28 Q29 L35 I36 | I28-S32 WeakPolarHBondContact O-CB 3.33Å; I28-S32 PolarHBondContact O-N 2.87Å; I28-S32 VanDerWaalsContact O-N 3.09Å; I28-S32 PolarHBondContact O-OG 2.85Å; Q29-S32 PolarHBondContact O-N 3.1Å; S32-L35 PolarHBondContact O-N 3.19Å; S32-I36 WeakPolarHBondContact O-CG1 3.28Å; S32-I36 PolarHBondContact O-N 3.11Å |
| 33 | I | 94.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.8 | -50.1 | -173 | -70.5 | 172.1 | 0 | 0 | 0 | 111.6 | F4 M7 V9 Q29 L35 I36 L37 A55 I58 P59 | F4-I33 HydrophobicContact CD1-CD1 4.38Å; F4-I33 HydrophobicContact CE1-CD1 4.13Å; M7-I33 HydrophobicContact CB-CG2 4.23Å; M7-I33 HydrophobicContact CE-CD1 3.95Å; M7-I33 HydrophobicContact SD-CB 4.4Å; M7-I33 HydrophobicContact SD-CD1 4.37Å; V9-I33 HydrophobicContact CG2-CG2 3.79Å; Q29-I33 HydrophobicContact CB-CD1 3.84Å; Q29-I33 HydrophobicContact CB-CG1 4.46Å; Q29-I33 HydrophobicContact CG-CD1 4.44Å; Q29-I33 VanDerWaalsContact O-CB 3.25Å; Q29-I33 WeakPolarHBondContact O-CB 3.07Å; Q29-I33 WeakPolarHBondContact O-CG1 3.34Å; Q29-I33 PolarHBondContact O-N 2.82Å; I33-L35 VanDerWaalsContact C-N 3.31Å; I33-L35 PolarHBondContact O-N 2.9Å; I33-I36 PolarHBondContact O-N 2.9Å; I33-L37 HydrophobicContact CG2-CD1 3.91Å; I33-L37 HydrophobicContact CG2-CG 4.37Å; I33-L37 WeakPolarHBondContact O-CG 3.33Å; I33-L37 PolarHBondContact O-N 3.03Å; I33-A55 WeakPolarHBondContact CG1-O 3.31Å; I33-I58 HydrophobicContact CD1-CD1 4.33Å; I33-I58 HydrophobicContact CD1-CG2 4.41Å; I33-P59 HydrophobicContact CG1-CG 4.46Å |
| 34 | P | 86.6 | Confident | 87 | Confident | 56 Ų | 56 | 36.7 Ų | 36.7 | 36% | 0.364 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62 | -38 | 179.2 | -23.3 | 35 | 0 | 0 | 0 | 112.8 | M7 A30 L37 G38 | M7-P34 HydrophobicContact CB-CG 4.19Å; M7-P34 HydrophobicContact CG-CG 4.46Å; A30-P34 WeakPolarHBondContact O-CD 3.35Å; A30-P34 WeakPolarHBondContact O-CG 3.45Å; P34-L37 PolarHBondContact O-N 2.8Å; P34-G38 PolarHBondContact O-N 2.87Å |
| 35 | L | 87.9 | Confident | 87.4 | Confident | 56 Ų | 56 | 30.5 Ų | 30.5 | 29% | 0.293 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -65.1 | -40.5 | 178.8 | -64.2 | 174.1 | 0 | 0 | 0 | 111.9 | E31 S32 I33 G38 G40 V42 T427 V429 | E31-L35 VanDerWaalsContact O-CD1 3.28Å; E31-L35 WeakPolarHBondContact O-CD1 3.35Å; E31-L35 VanDerWaalsContact O-CG 3.31Å; E31-L35 WeakPolarHBondContact O-CG 3.49Å; S32-L35 PolarHBondContact O-N 3.19Å; I33-L35 VanDerWaalsContact C-N 3.31Å; I33-L35 PolarHBondContact O-N 2.9Å; L35-G38 PolarHBondContact O-N 2.86Å; L35-G40 PolarHBondContact O-N 3.28Å; L35-V42 HydrophobicContact CB-CG2 3.65Å; L35-T427 HydrophobicContact CD1-CG2 3.63Å; L35-T427 HydrophobicContact CD2-CG2 4.22Å; L35-V429 HydrophobicContact CD1-CG2 3.51Å |
| 36 | I | 94.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -70.2 | -45.3 | 177.3 | -63.3 | 170 | 0 | 0 | 0 | 110.5 | S32 I33 G38 G39 V42 M44 F56 P59 I63 Q402 I404 | S32-I36 WeakPolarHBondContact O-CG1 3.28Å; S32-I36 PolarHBondContact O-N 3.11Å; I33-I36 PolarHBondContact O-N 2.9Å; I36-G38 PolarHBondContact O-N 3.14Å; I36-G39 PolarHBondContact O-N 2.97Å; I36-V42 HydrophobicContact CG1-CB 4.02Å; I36-V42 HydrophobicContact CG1-CG2 3.63Å; I36-M44 HydrophobicContact CD1-CE 3.87Å; I36-F56 HydrophobicContact CD1-CB 4.15Å; I36-P59 HydrophobicContact CB-CB 3.95Å; I36-P59 HydrophobicContact CB-CG 3.75Å; I36-P59 HydrophobicContact CD1-CG 3.94Å; I36-P59 HydrophobicContact CG1-CG 4.45Å; I36-P59 HydrophobicContact CG2-CB 3.68Å; I36-P59 HydrophobicContact CG2-CG 3.61Å; I36-I63 HydrophobicContact CG2-CD1 4.37Å; I36-Q402 PolarHBondContact O-NE2 3.37Å; I36-I404 HydrophobicContact CD1-CD1 4.06Å; I36-I404 HydrophobicContact CD1-CG1 4.3Å; I36-I404 HydrophobicContact CD1-CG2 4.17Å; I36-I404 HydrophobicContact CG1-CD1 4.2Å; I36-I404 HydrophobicContact CG1-CG1 4.28Å; I36-I404 HydrophobicContact CG2-CD1 3.69Å; I36-I404 HydrophobicContact CG2-CG1 4.49Å |
| 37 | L | 88.3 | Confident | 86.1 | Confident | 45 Ų | 45 | 31.8 Ų | 31.8 | 24% | 0.236 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.5 | -33 | 174.7 | -70.8 | 176.5 | 0 | 0 | 0 | 112 | M7 I33 P34 G39 P59 Q62 I63 | M7-L37 WeakPolarHBondContact O-CD1 3.49Å; I33-L37 HydrophobicContact CG2-CD1 3.91Å; I33-L37 HydrophobicContact CG2-CG 4.37Å; I33-L37 WeakPolarHBondContact O-CG 3.33Å; I33-L37 PolarHBondContact O-N 3.03Å; P34-L37 PolarHBondContact O-N 2.8Å; L37-G39 PolarHBondContact O-N 2.75Å; L37-P59 HydrophobicContact CD2-CB 3.61Å; L37-P59 HydrophobicContact CG-CB 3.73Å; L37-Q62 HydrophobicContact CD2-CB 4.38Å; L37-Q62 HydrophobicContact CD2-CG 4.37Å; L37-I63 HydrophobicContact CD2-CD1 4.32Å; L37-I63 HydrophobicContact CD2-CG1 4.02Å |
| 38 | G | 78.8 | Confident | 85.2 | Confident | 69 Ų | 69 | 28 Ų | 28 | 71% | 0.711 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -5.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | P34 L35 I36 | P34-G38 PolarHBondContact O-N 2.87Å; L35-G38 PolarHBondContact O-N 2.86Å; I36-G38 PolarHBondContact O-N 3.14Å |
| 39 | G | 79.4 | Confident | 84.1 | Confident | 31 Ų | 31 | 30.2 Ų | 30.2 | 32% | 0.32 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | 11.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | I36 L37 R400 | I36-G39 PolarHBondContact O-N 2.97Å; L37-G39 PolarHBondContact O-N 2.75Å; G39-R400 PolarHBondContact O-NH2 2.63Å |
| 40 | G | 74.9 | Confident | 83 | Confident | 24 Ų | 24 | 31.5 Ų | 31.5 | 25% | 0.247 | 22% | 0.215 | C | C | . | . | trans | -77.1 | 147.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L35 Q402 | L35-G40 PolarHBondContact O-N 3.28Å; G40-Q402 WeakPolarHBondContact O-CG 3.42Å; G40-Q402 PolarHBondContact O-NE2 3.49Å | ||
| 41 | D | 87.1 | Confident | 82.8 | Confident | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | trans | -70.5 | 137.9 | 164.6 | -80.5 | 12.6 | 0 | 0 | 0 | 108.4 | R400 Q402 V403 M423 H424 P426 T427 | D41-R400 VanDerWaalsContact N-NH2 3.12Å; D41-R400 IonicContact OD1-CZ 2.87Å; D41-R400 VanDerWaalsContact OD1-CZ 3.22Å; D41-R400 IonicContact OD1-NH1 3.14Å; D41-R400 PolarHBondContact OD1-NH1 2.82Å; D41-R400 IonicContact OD1-NH2 3.83Å; D41-R400 PolarHBondContact OD1-NH2 3.3Å; D41-R400 IonicContact OD2-NH1 3.65Å; D41-R400 PolarHBondContact OD2-NH1 2.8Å; D41-Q402 WeakPolarHBondContact OD1-CA 3.04Å; D41-V403 WeakPolarHBondContact CA-O 3.39Å; D41-V403 WeakPolarHBondContact CB-O 3.34Å; D41-V403 VanDerWaalsContact CG-O 3.29Å; D41-V403 PolarHBondContact OD1-N 2.89Å; D41-M423 HydrophobicContact CB-CB 4.29Å; D41-M423 HydrophobicContact CB-CE 3.95Å; D41-M423 VanDerWaalsContact OD2-CA 3.27Å; D41-M423 WeakPolarHBondContact OD2-CA 3.11Å; D41-H424 PolarHBondContact OD2-N 2.89Å; D41-P426 HydrophobicContact CB-CB 4.04Å; D41-P426 CarbonylContact O-C 3.58Å; D41-P426 VanDerWaalsContact O-CA 3.27Å; D41-P426 WeakPolarHBondContact O-CA 3.46Å; D41-T427 PolarHBondContact O-N 3.14Å | ||
| 42 | V | 92.9 | Very high | 83 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 124.7 | -176.6 | -179.7 | 0 | 0 | 0 | 0 | 109.3 | L35 I36 M44 V403 I404 V405 M423 V429 | L35-V42 HydrophobicContact CB-CG2 3.65Å; I36-V42 HydrophobicContact CG1-CB 4.02Å; I36-V42 HydrophobicContact CG1-CG2 3.63Å; V42-M44 HydrophobicContact CB-CE 4.44Å; V42-M44 HydrophobicContact CG1-CB 4.31Å; V42-M44 HydrophobicContact CG1-CE 3.74Å; V42-V403 PolarHBondContact N-O 2.94Å; V42-I404 WeakPolarHBondContact O-CA 3.24Å; V42-V405 PolarHBondContact O-N 2.94Å; V42-M423 VanDerWaalsContact O-CE 3.23Å; V42-M423 WeakPolarHBondContact O-CE 3.47Å; V42-V429 HydrophobicContact CG1-CG2 4Å |
| 43 | L | 92.4 | Very high | 82.9 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 109.3 | 174.6 | -178.7 | 64.6 | 0 | 0 | 0 | 107.2 | V405 L410 V415 S419 M423 P426 T427 W428 V429 | L43-V405 CarbonylContact C-O 3.58Å; L43-V405 WeakPolarHBondContact CA-O 3.42Å; L43-V405 HydrophobicContact CD1-CB 3.47Å; L43-V405 VanDerWaalsContact CD1-CB 3.47Å; L43-V405 HydrophobicContact CD1-CG1 3.38Å; L43-V405 HydrophobicContact CD1-CG2 4.48Å; L43-L410 HydrophobicContact CD1-CD2 3.31Å; L43-L410 HydrophobicContact CD2-CD1 4.47Å; L43-L410 HydrophobicContact CD2-CD2 4Å; L43-L410 HydrophobicContact CG-CD1 3.92Å; L43-L410 HydrophobicContact CG-CD2 3.34Å; L43-L410 HydrophobicContact CG-CG 4.19Å; L43-L410 WeakPolarHBondContact O-CD1 3.28Å; L43-V415 HydrophobicContact CD1-CG1 4.41Å; L43-S419 WeakPolarHBondContact CD1-OG 3.39Å; L43-M423 HydrophobicContact CB-CE 4.09Å; L43-M423 HydrophobicContact CB-SD 4.17Å; L43-M423 HydrophobicContact CD1-SD 4.11Å; L43-P426 HydrophobicContact CB-CB 4.04Å; L43-T427 PolarHBondContact N-O 2.73Å; L43-W428 HydrophobicContact CD2-CD2 3.94Å; L43-W428 HydrophobicContact CD2-CE3 4.36Å; L43-W428 HydrophobicContact CD2-CG 4.48Å; L43-W428 HydrophobicContact CD2-CH2 4.06Å; L43-W428 HydrophobicContact CD2-CZ2 3.61Å; L43-W428 HydrophobicContact CD2-CZ3 4.42Å; L43-W428 WeakPolarHBondContact O-CA 3.4Å; L43-V429 PolarHBondContact O-N 3.4Å |
| 44 | M | 92.9 | Very high | 82.8 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 133.3 | -170.1 | 69.6 | 179.2 | 73.1 | 0 | 0 | 113.7 | I28 I36 V42 A55 F56 I404 V405 C406 S407 V429 | I28-M44 HydrophobicContact CD1-CB 4.09Å; I28-M44 HydrophobicContact CG1-SD 4.44Å; I36-M44 HydrophobicContact CD1-CE 3.87Å; V42-M44 HydrophobicContact CB-CE 4.44Å; V42-M44 HydrophobicContact CG1-CB 4.31Å; V42-M44 HydrophobicContact CG1-CE 3.74Å; M44-A55 HydrophobicContact SD-CB 4.19Å; M44-F56 HydrophobicContact CE-CB 4.48Å; M44-I404 HydrophobicContact CE-CG2 3.88Å; M44-V405 PolarHBondContact N-O 2.97Å; M44-C406 HydrophobicContact CG-CB 3.95Å; M44-C406 VanDerWaalsContact CG-SG 3.53Å; M44-C406 HydrophobicContact SD-CB 4.42Å; M44-C406 PolarHBondContact SD-SG 3.33Å; M44-S407 PolarHBondContact O-N 2.71Å; M44-V429 CarbonylContact C-O 3.52Å; M44-V429 VanDerWaalsContact CA-O 3.29Å; M44-V429 WeakPolarHBondContact CA-O 3.43Å; M44-V429 HydrophobicContact CB-CB 4.21Å |
| 45 | A | 86.4 | Confident | 83.2 | Confident | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.008 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 127.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | S407 L410 V429 D430 L431 K432 | A45-S407 WeakPolarHBondContact CA-O 3.42Å; A45-L410 HydrophobicContact CB-CB 4.1Å; A45-L410 HydrophobicContact CB-CD1 3.62Å; A45-L410 HydrophobicContact CB-CD2 4.5Å; A45-L410 HydrophobicContact CB-CG 3.39Å; A45-V429 PolarHBondContact N-O 3.09Å; A45-D430 HydrophobicContact CB-CB 4.45Å; A45-D430 WeakPolarHBondContact CB-OD1 3.39Å; A45-L431 PolarHBondContact O-N 2.99Å; A45-L431 VanDerWaalsContact O-N 3.14Å; A45-K432 HydrophobicContact CB-CB 4.38Å |
| 46 | A | 76.4 | Confident | 83.6 | Confident | 5 Ų | 5 | 22 Ų | 22 | 4% | 0.041 | 16% | 0.164 | C | C | . | . | trans | -158.5 | 165.4 | 166 | 0 | 0 | 0 | 0 | 0 | 109.7 | I28 S50 K52 | I28-A46 HydrophobicContact CB-CB 4.14Å; I28-A46 HydrophobicContact CD1-CB 3.93Å; I28-A46 HydrophobicContact CG1-CB 3.82Å; A46-S50 WeakPolarHBondContact CB-OG 3.3Å; A46-K52 HydrophobicContact CB-CD 4.17Å; A46-K52 HydrophobicContact CB-CG 4.05Å; A46-K52 PolarHBondContact O-NZ 2.93Å | ||
| 47 | E | 65.1 | Low | 83.7 | Confident | 107 Ų | 107 | 22 Ų | 22 | 50% | 0.5 | 16% | 0.164 | S | C | . | . | trans | -62.2 | 160.6 | 177.2 | -61.8 | -172.4 | 162.6 | 0 | 0 | 113.1 | G49 S50 K52 | E47-G49 PolarHBondContact O-N 2.98Å; E47-S50 VanDerWaalsContact O-CB 3.29Å; E47-S50 WeakPolarHBondContact O-CB 2.97Å; E47-S50 PolarHBondContact O-N 2.92Å; E47-S50 PolarHBondContact O-OG 3.02Å; E47-K52 PolarHBondContact O-NZ 3.43Å | ||
| 48 | T | 65.9 | Low | 84.1 | Confident | 41 Ų | 41 | 19.8 Ų | 19.8 | 25% | 0.252 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | 135.8 | 171.4 | -54.6 | 0 | 0 | 0 | 0 | 109.7 | S50 | T48-S50 VanDerWaalsContact C-N 3.32Š|
| 49 | G | 64.1 | Low | 84.9 | Confident | 50 Ų | 50 | 16.5 Ų | 16.5 | 52% | 0.515 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.7 | 12.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | E47 G51 | E47-G49 PolarHBondContact O-N 2.98Å; G49-G51 VanDerWaalsContact C-N 3.29Å |
| 50 | S | 69 | Low | 85.7 | Confident | 29 Ų | 29 | 15.1 Ų | 15.1 | 20% | 0.203 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -80.2 | -3.4 | 173.4 | 66.9 | 0 | 0 | 0 | 0 | 114.4 | T26 I28 A46 E47 T48 | T26-S50 WeakPolarHBondContact CB-O 3.19Å; T26-S50 WeakPolarHBondContact CG2-O 3.03Å; T26-S50 PolarHBondContact OG1-O 3.17Å; T26-S50 VanDerWaalsContact OG1-O 3.11Å; I28-S50 WeakPolarHBondContact CG2-O 3.32Å; A46-S50 WeakPolarHBondContact CB-OG 3.3Å; E47-S50 VanDerWaalsContact O-CB 3.29Å; E47-S50 WeakPolarHBondContact O-CB 2.97Å; E47-S50 PolarHBondContact O-N 2.92Å; E47-S50 PolarHBondContact O-OG 3.02Å; T48-S50 VanDerWaalsContact C-N 3.32Å |
| 51 | G | 82.5 | Confident | 86.7 | Confident | 17 Ų | 17 | 14 Ų | 14 | 18% | 0.175 | 9% | 0.092 | C | C | . | . | S | Bend | trans | 96 | 11.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q29 G49 T53 G54 A55 | Q29-G51 PolarHBondContact NE2-O 3.03Å; G49-G51 VanDerWaalsContact C-N 3.29Å; G51-T53 VanDerWaalsContact C-N 3.27Å; G51-T53 PolarHBondContact O-N 3.24Å; G51-G54 WeakPolarHBondContact O-CA 3.39Å; G51-G54 PolarHBondContact O-N 2.93Å; G51-A55 PolarHBondContact O-N 3.19Å |
| 52 | K | 90.1 | Very high | 87.1 | Confident | 16 Ų | 16 | 14.5 Ų | 14.5 | 7% | 0.07 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -48 | -43.9 | 177 | -69.1 | -167.9 | -65 | -81.3 | 0 | 113.8 | I28 A46 E47 G54 A55 F56 C406 | I28-K52 HydrophobicContact CG1-CG 4.18Å; A46-K52 HydrophobicContact CB-CD 4.17Å; A46-K52 HydrophobicContact CB-CG 4.05Å; A46-K52 PolarHBondContact O-NZ 2.93Å; E47-K52 PolarHBondContact O-NZ 3.43Å; K52-G54 VanDerWaalsContact C-N 3.28Å; K52-G54 PolarHBondContact O-N 3.28Å; K52-A55 WeakPolarHBondContact O-CA 3.42Å; K52-A55 VanDerWaalsContact O-CB 3.28Å; K52-A55 WeakPolarHBondContact O-CB 3.41Å; K52-A55 PolarHBondContact O-N 3.17Å; K52-F56 WeakPolarHBondContact O-CD1 3.42Å; K52-F56 PolarHBondContact O-N 2.9Å; K52-F56 VanDerWaalsContact O-N 3.14Å; K52-C406 HydrophobicContact CD-CB 4.4Å |
| 53 | T | 91.7 | Very high | 87.1 | Confident | 25 Ų | 25 | 15.5 Ų | 15.5 | 15% | 0.153 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -58.9 | -40.4 | 179 | -46 | 0 | 0 | 0 | 0 | 112.2 | G51 F56 S57 T302 N305 | G51-T53 VanDerWaalsContact C-N 3.27Å; G51-T53 PolarHBondContact O-N 3.24Å; T53-F56 VanDerWaalsContact CA-CE1 3.47Å; T53-F56 HydrophobicContact CG2-CE1 4.33Å; T53-F56 HydrophobicContact CG2-CZ 3.97Å; T53-S57 WeakPolarHBondContact O-CB 3.37Å; T53-S57 PolarHBondContact O-N 3.26Å; T53-S57 PolarHBondContact O-OG 3Å; T53-T302 HydrophobicContact CG2-CG2 3.93Å; T53-N305 HydrophobicContact CG2-CB 4.14Å; T53-N305 WeakPolarHBondContact CG2-ND2 3.22Å |
| 54 | G | 92.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -67 | -41.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | G51 K52 F56 S57 I58 | G51-G54 WeakPolarHBondContact O-CA 3.39Å; G51-G54 PolarHBondContact O-N 2.93Å; K52-G54 VanDerWaalsContact C-N 3.28Å; K52-G54 PolarHBondContact O-N 3.28Å; G54-F56 VanDerWaalsContact C-N 3.3Å; G54-F56 PolarHBondContact O-N 2.93Å; G54-S57 PolarHBondContact O-N 2.71Å; G54-I58 WeakPolarHBondContact O-CB 3.4Å; G54-I58 WeakPolarHBondContact O-CG1 3.46Å; G54-I58 PolarHBondContact O-N 3.08Å; G54-I58 VanDerWaalsContact O-N 3.12Å |
| 55 | A | 94.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -57.1 | -38.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | I28 Q29 I33 M44 G51 K52 P59 | I28-A55 HydrophobicContact CG2-CB 4.46Å; Q29-A55 HydrophobicContact CB-CB 4.45Å; Q29-A55 HydrophobicContact CG-CB 3.88Å; I33-A55 WeakPolarHBondContact CG1-O 3.31Å; M44-A55 HydrophobicContact SD-CB 4.19Å; G51-A55 PolarHBondContact O-N 3.19Å; K52-A55 WeakPolarHBondContact O-CA 3.42Å; K52-A55 VanDerWaalsContact O-CB 3.28Å; K52-A55 WeakPolarHBondContact O-CB 3.41Å; K52-A55 PolarHBondContact O-N 3.17Å; A55-P59 VanDerWaalsContact O-CD 3.29Å; A55-P59 WeakPolarHBondContact O-CD 3.42Å; A55-P59 VanDerWaalsContact O-CG 3.25Å; A55-P59 WeakPolarHBondContact O-CG 3.44Å |
| 56 | F | 96.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -93.7 | -34.9 | 173.8 | 72.8 | -105.2 | 0 | 0 | 0 | 114.2 | I36 M44 K52 T53 G54 P59 V60 I291 T302 V368 D370 I404 C406 | I36-F56 HydrophobicContact CD1-CB 4.15Å; M44-F56 HydrophobicContact CE-CB 4.48Å; K52-F56 WeakPolarHBondContact O-CD1 3.42Å; K52-F56 PolarHBondContact O-N 2.9Å; K52-F56 VanDerWaalsContact O-N 3.14Å; T53-F56 VanDerWaalsContact CA-CE1 3.47Å; T53-F56 HydrophobicContact CG2-CE1 4.33Å; T53-F56 HydrophobicContact CG2-CZ 3.97Å; G54-F56 VanDerWaalsContact C-N 3.3Å; G54-F56 PolarHBondContact O-N 2.93Å; F56-P59 WeakPolarHBondContact O-CD 3.37Å; F56-P59 WeakPolarHBondContact O-CG 3.38Å; F56-V60 WeakPolarHBondContact O-CB 3.39Å; F56-V60 WeakPolarHBondContact O-CG2 3.34Å; F56-V60 PolarHBondContact O-N 3.19Å; F56-I291 HydrophobicContact CE2-CD1 4.08Å; F56-I291 HydrophobicContact CE2-CG1 4.34Å; F56-I291 HydrophobicContact CE2-CG2 4Å; F56-I291 HydrophobicContact CZ-CG2 4.24Å; F56-T302 HydrophobicContact CE2-CG2 4.18Å; F56-T302 HydrophobicContact CZ-CG2 3.98Å; F56-V368 HydrophobicContact CB-CG1 4.46Å; F56-V368 HydrophobicContact CD1-CG1 4.24Å; F56-V368 HydrophobicContact CD2-CG1 3.72Å; F56-V368 HydrophobicContact CD2-CG2 4.27Å; F56-V368 HydrophobicContact CE1-CG1 4.37Å; F56-V368 HydrophobicContact CE2-CG1 3.93Å; F56-V368 HydrophobicContact CG-CG1 3.9Å; F56-V368 HydrophobicContact CZ-CG1 4.24Å; F56-D370 HydrophobicContact CE1-CB 4.21Å; F56-D370 WeakPolarHBondContact CE1-OD2 3.2Å; F56-D370 HydrophobicContact CZ-CB 4.34Å; F56-I404 HydrophobicContact CB-CG2 3.96Å; F56-C406 VanDerWaalsContact CD1-SG 3.52Å |
| 57 | S | 96.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -70.7 | -42.2 | -171.9 | -63.8 | 0 | 0 | 0 | 0 | 112.1 | T53 G54 V60 I61 | T53-S57 WeakPolarHBondContact O-CB 3.37Å; T53-S57 PolarHBondContact O-N 3.26Å; T53-S57 PolarHBondContact O-OG 3Å; G54-S57 PolarHBondContact O-N 2.71Å; S57-V60 PolarHBondContact O-N 2.88Å; S57-I61 WeakPolarHBondContact O-CB 3.46Å; S57-I61 WeakPolarHBondContact O-CD1 3.22Å; S57-I61 WeakPolarHBondContact O-CG1 3.4Å; S57-I61 PolarHBondContact O-N 3.1Å |
| 58 | I | 96.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -55.2 | -57.3 | 179.9 | -71.6 | 168 | 0 | 0 | 0 | 111.4 | F4 V9 I13 V17 I33 G54 V60 I61 Q62 F309 | F4-I58 HydrophobicContact CD1-CD1 4.4Å; F4-I58 HydrophobicContact CE1-CD1 3.96Å; V9-I58 HydrophobicContact CB-CG2 4.46Å; V9-I58 HydrophobicContact CG1-CG2 3.76Å; V9-I58 HydrophobicContact CG2-CG2 3.79Å; I13-I58 HydrophobicContact CG2-CG1 4.28Å; I13-I58 HydrophobicContact CG2-CG2 3.93Å; V17-I58 HydrophobicContact CG2-CD1 3.86Å; V17-I58 HydrophobicContact CG2-CG1 4.41Å; I33-I58 HydrophobicContact CD1-CD1 4.33Å; I33-I58 HydrophobicContact CD1-CG2 4.41Å; G54-I58 WeakPolarHBondContact O-CB 3.4Å; G54-I58 WeakPolarHBondContact O-CG1 3.46Å; G54-I58 PolarHBondContact O-N 3.08Å; G54-I58 VanDerWaalsContact O-N 3.12Å; I58-V60 PolarHBondContact O-N 2.98Å; I58-I61 PolarHBondContact O-N 3.13Å; I58-Q62 PolarHBondContact O-N 3.46Å; I58-Q62 VanDerWaalsContact O-N 3.11Å; I58-F309 HydrophobicContact CG1-CD1 4.34Å; I58-F309 HydrophobicContact CG1-CD2 4.17Å; I58-F309 HydrophobicContact CG1-CE2 4.42Å; I58-F309 HydrophobicContact CG1-CG 4.13Å |
| 59 | P | 96.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -68.4 | -35.3 | -178.3 | 27.6 | -37 | 0 | 0 | 0 | 112.3 | I33 I36 L37 A55 F56 I61 Q62 I63 | I33-P59 HydrophobicContact CG1-CG 4.46Å; I36-P59 HydrophobicContact CB-CB 3.95Å; I36-P59 HydrophobicContact CB-CG 3.75Å; I36-P59 HydrophobicContact CD1-CG 3.94Å; I36-P59 HydrophobicContact CG1-CG 4.45Å; I36-P59 HydrophobicContact CG2-CB 3.68Å; I36-P59 HydrophobicContact CG2-CG 3.61Å; L37-P59 HydrophobicContact CD2-CB 3.61Å; L37-P59 HydrophobicContact CG-CB 3.73Å; A55-P59 VanDerWaalsContact O-CD 3.29Å; A55-P59 WeakPolarHBondContact O-CD 3.42Å; A55-P59 VanDerWaalsContact O-CG 3.25Å; A55-P59 WeakPolarHBondContact O-CG 3.44Å; F56-P59 WeakPolarHBondContact O-CD 3.37Å; F56-P59 WeakPolarHBondContact O-CG 3.38Å; P59-I61 PolarHBondContact O-N 2.92Å; P59-Q62 PolarHBondContact O-N 3.21Å; P59-I63 WeakPolarHBondContact O-CD1 3.21Å; P59-I63 WeakPolarHBondContact O-CG1 3.31Å; P59-I63 PolarHBondContact O-N 3.49Å |
| 60 | V | 96 | Very high | 90.5 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.006 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -63.1 | -43.5 | 175.9 | 169.3 | 0 | 0 | 0 | 0 | 111.6 | F56 S57 I58 Q62 I63 V64 A289 F366 V368 I404 | F56-V60 WeakPolarHBondContact O-CB 3.39Å; F56-V60 WeakPolarHBondContact O-CG2 3.34Å; F56-V60 PolarHBondContact O-N 3.19Å; S57-V60 PolarHBondContact O-N 2.88Å; I58-V60 PolarHBondContact O-N 2.98Å; V60-Q62 VanDerWaalsContact C-N 3.34Å; V60-Q62 PolarHBondContact O-N 3.43Å; V60-I63 PolarHBondContact O-N 2.86Å; V60-V64 HydrophobicContact CG1-CG2 4.3Å; V60-V64 WeakPolarHBondContact O-CB 3.46Å; V60-V64 WeakPolarHBondContact O-CG2 3.21Å; V60-V64 PolarHBondContact O-N 2.81Å; V60-A289 HydrophobicContact CG1-CB 3.58Å; V60-F366 HydrophobicContact CG1-CB 4.32Å; V60-F366 HydrophobicContact CG1-CG 4.41Å; V60-F366 HydrophobicContact CG2-CB 4.41Å; V60-F366 HydrophobicContact CG2-CG 4.49Å; V60-V368 HydrophobicContact CG2-CG2 4.29Å; V60-I404 HydrophobicContact CG2-CD1 3.73Å |
| 61 | I | 96.4 | Very high | 90.9 | Very high | 2 Ų | 2 | 24.2 Ų | 24.2 | 1% | 0.01 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.2 | -47.6 | 176.2 | -72 | 164.3 | 0 | 0 | 0 | 110.2 | I13 S57 I58 P59 V64 Y65 V306 F309 K310 L318 I342 | I13-I61 HydrophobicContact CD1-CB 4.3Å; I13-I61 HydrophobicContact CD1-CG2 3.75Å; I13-I61 HydrophobicContact CG1-CG2 4.49Å; S57-I61 WeakPolarHBondContact O-CB 3.46Å; S57-I61 WeakPolarHBondContact O-CD1 3.22Å; S57-I61 WeakPolarHBondContact O-CG1 3.4Å; S57-I61 PolarHBondContact O-N 3.1Å; I58-I61 PolarHBondContact O-N 3.13Å; P59-I61 PolarHBondContact O-N 2.92Å; I61-V64 PolarHBondContact O-N 3.01Å; I61-Y65 WeakPolarHBondContact O-CB 3.19Å; I61-Y65 PolarHBondContact O-N 2.72Å; I61-V306 HydrophobicContact CD1-CB 4.38Å; I61-V306 HydrophobicContact CD1-CG1 4.09Å; I61-V306 HydrophobicContact CD1-CG2 4.44Å; I61-V306 HydrophobicContact CG1-CG1 4.35Å; I61-F309 HydrophobicContact CD1-CB 3.68Å; I61-F309 HydrophobicContact CD1-CD2 4.23Å; I61-F309 HydrophobicContact CD1-CG 4.48Å; I61-K310 HydrophobicContact CG2-CB 3.96Å; I61-L318 HydrophobicContact CG2-CD1 3.65Å; I61-I342 HydrophobicContact CG1-CD1 3.94Å |
| 62 | Q | 95.5 | Very high | 90.7 | Very high | 11 Ų | 11 | 29.3 Ų | 29.3 | 5% | 0.051 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.8 | -51.3 | 179 | -179.2 | 167.4 | -32.3 | 0 | 0 | 111.7 | G8 M10 I13 L37 I58 P59 V60 V64 Y65 E66 | G8-Q62 PolarHBondContact O-NE2 2.98Å; M10-Q62 HydrophobicContact CB-CG 4.48Å; M10-Q62 HydrophobicContact CG-CG 4.21Å; M10-Q62 HydrophobicContact SD-CB 4.4Å; M10-Q62 HydrophobicContact SD-CG 4.02Å; I13-Q62 HydrophobicContact CD1-CB 3.83Å; L37-Q62 HydrophobicContact CD2-CB 4.38Å; L37-Q62 HydrophobicContact CD2-CG 4.37Å; I58-Q62 PolarHBondContact O-N 3.46Å; I58-Q62 VanDerWaalsContact O-N 3.11Å; P59-Q62 PolarHBondContact O-N 3.21Å; V60-Q62 VanDerWaalsContact C-N 3.34Å; V60-Q62 PolarHBondContact O-N 3.43Å; Q62-V64 VanDerWaalsContact C-N 3.33Å; Q62-V64 PolarHBondContact O-N 3.25Å; Q62-Y65 WeakPolarHBondContact O-CB 3.11Å; Q62-Y65 PolarHBondContact O-N 3.5Å; Q62-Y65 VanDerWaalsContact O-N 3.16Å; Q62-E66 HydrophobicContact CG-CG 4.28Å; Q62-E66 VanDerWaalsContact CG-OE1 3.28Å; Q62-E66 WeakPolarHBondContact CG-OE1 3.28Å; Q62-E66 PolarHBondContact NE2-OE1 2.8Å; Q62-E66 WeakPolarHBondContact O-CB 3.46Å; Q62-E66 WeakPolarHBondContact O-CG 3.37Å; Q62-E66 PolarHBondContact O-N 3.29Å |
| 63 | I | 91.4 | Very high | 90 | Very high | 21 Ų | 21 | 33 Ų | 33 | 11% | 0.108 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.9 | -38.2 | -176.2 | -57.2 | 157.6 | 0 | 0 | 0 | 111.1 | I36 L37 P59 V60 T67 F366 | I36-I63 HydrophobicContact CG2-CD1 4.37Å; L37-I63 HydrophobicContact CD2-CD1 4.32Å; L37-I63 HydrophobicContact CD2-CG1 4.02Å; P59-I63 WeakPolarHBondContact O-CD1 3.21Å; P59-I63 WeakPolarHBondContact O-CG1 3.31Å; P59-I63 PolarHBondContact O-N 3.49Å; V60-I63 PolarHBondContact O-N 2.86Å; I63-T67 VanDerWaalsContact O-CB 3.28Å; I63-T67 WeakPolarHBondContact O-CB 3.22Å; I63-T67 PolarHBondContact O-N 3.36Å; I63-T67 PolarHBondContact O-OG1 3.36Å; I63-F366 HydrophobicContact CB-CE1 4.27Å; I63-F366 HydrophobicContact CB-CE2 4.37Å; I63-F366 HydrophobicContact CB-CZ 3.82Å; I63-F366 HydrophobicContact CD1-CE1 3.87Å; I63-F366 HydrophobicContact CD1-CZ 4.28Å; I63-F366 HydrophobicContact CG2-CE1 3.95Å; I63-F366 HydrophobicContact CG2-CE2 3.98Å; I63-F366 HydrophobicContact CG2-CZ 3.24Å |
| 64 | V | 92.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.1 | -43.7 | 175 | 171.9 | 0 | 0 | 0 | 0 | 110.6 | V60 I61 Q62 T67 L68 K288 A289 L318 D341 I342 F366 | V60-V64 HydrophobicContact CG1-CG2 4.3Å; V60-V64 WeakPolarHBondContact O-CB 3.46Å; V60-V64 WeakPolarHBondContact O-CG2 3.21Å; V60-V64 PolarHBondContact O-N 2.81Å; I61-V64 PolarHBondContact O-N 3.01Å; Q62-V64 VanDerWaalsContact C-N 3.33Å; Q62-V64 PolarHBondContact O-N 3.25Å; V64-T67 PolarHBondContact O-N 2.69Å; V64-L68 HydrophobicContact CG1-CD1 4.35Å; V64-L68 WeakPolarHBondContact O-CG 3.32Å; V64-L68 PolarHBondContact O-N 3.01Å; V64-K288 HydrophobicContact CG1-CB 4.19Å; V64-K288 HydrophobicContact CG1-CD 4.22Å; V64-K288 HydrophobicContact CG2-CB 4.06Å; V64-A289 HydrophobicContact CG2-CB 3.98Å; V64-L318 HydrophobicContact CB-CD2 4.35Å; V64-L318 HydrophobicContact CG1-CD2 3.58Å; V64-D341 HydrophobicContact CG1-CB 3.92Å; V64-I342 HydrophobicContact CG1-CG1 4.18Å; V64-F366 HydrophobicContact CG2-CD2 3.89Å; V64-F366 HydrophobicContact CG2-CE2 3.98Å |
| 65 | Y | 93.8 | Very high | 86.5 | Confident | 16 Ų | 16 | 40.7 Ų | 40.7 | 6% | 0.063 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.4 | -51 | 176.2 | 167 | -103.2 | 0 | 0 | 0 | 112.4 | M10 I61 Q62 T67 L68 K69 V313 N315 P316 | M10-Y65 HydrophobicContact CE-CD1 3.74Å; M10-Y65 HydrophobicContact CE-CE1 3.37Å; M10-Y65 HydrophobicContact SD-CD1 3.74Å; M10-Y65 HydrophobicContact SD-CE1 4.02Å; I61-Y65 WeakPolarHBondContact O-CB 3.19Å; I61-Y65 PolarHBondContact O-N 2.72Å; Q62-Y65 WeakPolarHBondContact O-CB 3.11Å; Q62-Y65 PolarHBondContact O-N 3.5Å; Q62-Y65 VanDerWaalsContact O-N 3.16Å; Y65-T67 VanDerWaalsContact C-N 3.25Å; Y65-T67 PolarHBondContact O-N 2.81Å; Y65-L68 WeakPolarHBondContact O-CB 3.41Å; Y65-L68 PolarHBondContact O-N 2.62Å; Y65-K69 HydrophobicContact CE1-CD 4.14Å; Y65-K69 WeakPolarHBondContact O-CB 3.21Å; Y65-K69 PolarHBondContact O-N 3.33Å; Y65-V313 HydrophobicContact CD1-CG1 4.33Å; Y65-V313 HydrophobicContact CD2-CG1 3.2Å; Y65-V313 HydrophobicContact CE2-CG1 3.41Å; Y65-V313 VanDerWaalsContact CE2-CG1 3.41Å; Y65-V313 HydrophobicContact CG-CG1 3.68Å; Y65-N315 WeakPolarHBondContact CE2-O 3.26Å; Y65-N315 PolarHBondContact OH-O 3.35Å; Y65-N315 VanDerWaalsContact OH-O 3.06Å; Y65-P316 HydrophobicContact CD2-CG 4.18Å; Y65-P316 VanDerWaalsContact CE2-CD 3.45Å; Y65-P316 HydrophobicContact CE2-CG 4.25Å |
| 66 | E | 89.9 | Confident | 84.1 | Confident | 78 Ų | 78 | 50.4 Ų | 50.4 | 36% | 0.364 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -57.6 | -41.3 | 177.5 | -72.1 | 172.8 | 177.4 | 0 | 0 | 110.9 | Q62 L68 K69 D70 | Q62-E66 HydrophobicContact CG-CG 4.28Å; Q62-E66 VanDerWaalsContact CG-OE1 3.28Å; Q62-E66 WeakPolarHBondContact CG-OE1 3.28Å; Q62-E66 PolarHBondContact NE2-OE1 2.8Å; Q62-E66 WeakPolarHBondContact O-CB 3.46Å; Q62-E66 WeakPolarHBondContact O-CG 3.37Å; Q62-E66 PolarHBondContact O-N 3.29Å; E66-L68 VanDerWaalsContact C-N 3.34Å; E66-L68 PolarHBondContact O-N 3.3Å; E66-K69 PolarHBondContact O-N 3.19Å; E66-D70 WeakPolarHBondContact O-CB 3.3Å; E66-D70 PolarHBondContact O-N 2.89Å |
| 67 | T | 85.7 | Confident | 81.4 | Confident | 31 Ų | 31 | 52.7 Ų | 52.7 | 19% | 0.19 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61 | -41.1 | 175.5 | -59.6 | 0 | 0 | 0 | 0 | 112.2 | I63 V64 Y65 Q71 K288 | I63-T67 VanDerWaalsContact O-CB 3.28Å; I63-T67 WeakPolarHBondContact O-CB 3.22Å; I63-T67 PolarHBondContact O-N 3.36Å; I63-T67 PolarHBondContact O-OG1 3.36Å; V64-T67 PolarHBondContact O-N 2.69Å; Y65-T67 VanDerWaalsContact C-N 3.25Å; Y65-T67 PolarHBondContact O-N 2.81Å; T67-Q71 WeakPolarHBondContact O-CG 3.38Å; T67-Q71 PolarHBondContact O-N 2.65Å; T67-K288 HydrophobicContact CG2-CD 3.88Å |
| 68 | L | 87.1 | Confident | 78.4 | Confident | 28 Ų | 28 | 65 Ų | 65 | 15% | 0.147 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -70.7 | -39.3 | 176.9 | -71.1 | 168.2 | 0 | 0 | 0 | 111.7 | V64 Y65 E66 Q71 Q72 K288 P316 L318 D341 | V64-L68 HydrophobicContact CG1-CD1 4.35Å; V64-L68 WeakPolarHBondContact O-CG 3.32Å; V64-L68 PolarHBondContact O-N 3.01Å; Y65-L68 WeakPolarHBondContact O-CB 3.41Å; Y65-L68 PolarHBondContact O-N 2.62Å; E66-L68 VanDerWaalsContact C-N 3.34Å; E66-L68 PolarHBondContact O-N 3.3Å; L68-Q71 WeakPolarHBondContact O-CB 3.34Å; L68-Q71 PolarHBondContact O-N 2.93Å; L68-Q72 PolarHBondContact O-N 3.29Å; L68-K288 HydrophobicContact CD2-CD 4.49Å; L68-K288 HydrophobicContact CG-CD 4.48Å; L68-P316 HydrophobicContact CB-CB 4.32Å; L68-P316 HydrophobicContact CB-CG 3.46Å; L68-P316 VanDerWaalsContact CB-CG 3.46Å; L68-L318 HydrophobicContact CD1-CD2 3.58Å; L68-D341 HydrophobicContact CD1-CB 4.28Å |
| 69 | K | 86.1 | Confident | 75.6 | Confident | 73 Ų | 73 | 69.1 Ų | 69.1 | 32% | 0.317 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.4 | -45.3 | 179 | -171.8 | 172.3 | 179 | 173.6 | 0 | 111.4 | Y65 E66 Q71 Q72 E73 P316 | Y65-K69 HydrophobicContact CE1-CD 4.14Å; Y65-K69 WeakPolarHBondContact O-CB 3.21Å; Y65-K69 PolarHBondContact O-N 3.33Å; E66-K69 PolarHBondContact O-N 3.19Å; K69-Q71 VanDerWaalsContact C-N 3.27Å; K69-Q71 PolarHBondContact O-N 3.16Å; K69-Q72 PolarHBondContact O-N 3.34Å; K69-Q72 VanDerWaalsContact O-N 3.09Å; K69-E73 WeakPolarHBondContact CE-OE1 3.25Å; K69-E73 HydrophobicContact CG-CG 4.41Å; K69-E73 WeakPolarHBondContact O-CB 3.16Å; K69-E73 WeakPolarHBondContact O-CG 3.47Å; K69-E73 PolarHBondContact O-N 2.88Å; K69-P316 HydrophobicContact CB-CG 4.38Å |
| 70 | D | 80.9 | Confident | 72.7 | Confident | 67 Ų | 67 | 71.6 Ų | 71.6 | 36% | 0.358 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.8 | -38.5 | 174.7 | -79.3 | -14.5 | 0 | 0 | 0 | 111.9 | E66 G74 K75 | E66-D70 WeakPolarHBondContact O-CB 3.3Å; E66-D70 PolarHBondContact O-N 2.89Å; D70-G74 PolarHBondContact O-N 2.67Å; D70-K75 PolarHBondContact O-N 3.43Å |
| 71 | Q | 76.3 | Confident | 69.8 | Low | 122 Ų | 122 | 72.8 Ų | 72.8 | 57% | 0.57 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -64.9 | -38.9 | 174.6 | -73.9 | 176.1 | -4.7 | 0 | 0 | 112.3 | T67 L68 K69 K288 | T67-Q71 WeakPolarHBondContact O-CG 3.38Å; T67-Q71 PolarHBondContact O-N 2.65Å; L68-Q71 WeakPolarHBondContact O-CB 3.34Å; L68-Q71 PolarHBondContact O-N 2.93Å; K69-Q71 VanDerWaalsContact C-N 3.27Å; K69-Q71 PolarHBondContact O-N 3.16Å; Q71-K288 VanDerWaalsContact OE1-NZ 3.09Å |
| 72 | Q | 78 | Confident | 67 | Low | 124 Ų | 124 | 78.3 Ų | 78.3 | 58% | 0.579 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -73.9 | -38.2 | 178.9 | -172 | 177.4 | -1.3 | 0 | 0 | 112.6 | L68 K69 G74 | L68-Q72 PolarHBondContact O-N 3.29Å; K69-Q72 PolarHBondContact O-N 3.34Å; K69-Q72 VanDerWaalsContact O-N 3.09Å; Q72-G74 PolarHBondContact O-N 3Å |
| 73 | E | 76.6 | Confident | 64.3 | Low | 94 Ų | 94 | 79.1 Ų | 79.1 | 44% | 0.439 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -5.6 | 179.4 | -68.6 | -178 | -178.9 | 0 | 0 | 113.1 | K69 K75 | K69-E73 WeakPolarHBondContact CE-OE1 3.25Å; K69-E73 HydrophobicContact CG-CG 4.41Å; K69-E73 WeakPolarHBondContact O-CB 3.16Å; K69-E73 WeakPolarHBondContact O-CG 3.47Å; K69-E73 PolarHBondContact O-N 2.88Å; E73-K75 HydrophobicContact CB-CD 4.47Å; E73-K75 HydrophobicContact CB-CG 4.3Å; E73-K75 PolarHBondContact O-N 2.78Å; E73-K75 VanDerWaalsContact O-N 3.16Å; E73-K75 WeakPolarHBondContact OE2-CD 3.45Å; E73-K75 VanDerWaalsContact OE2-CE 3.23Å; E73-K75 WeakPolarHBondContact OE2-CE 3.42Å; E73-K75 IonicContact OE2-NZ 3.45Å; E73-K75 PolarHBondContact OE2-NZ 2.83Å |
| 74 | G | 60.3 | Low | 62.3 | Low | 60 Ų | 60 | 78.8 Ų | 78.8 | 62% | 0.619 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.9 | 13.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | D70 Q72 K76 | D70-G74 PolarHBondContact O-N 2.67Å; Q72-G74 PolarHBondContact O-N 3Å; G74-K76 PolarHBondContact O-N 2.93Å |
| 75 | K | 50.2 | Low | 60 | Low | 127 Ų | 127 | 81.6 Ų | 81.6 | 55% | 0.552 | 44% | 0.442 | S | S | * | . | trans | -67.2 | 99.8 | 173.4 | -79.1 | 177.4 | 179.3 | 156.6 | 0 | 108.2 | D70 E73 G77 | D70-K75 PolarHBondContact O-N 3.43Å; E73-K75 HydrophobicContact CB-CD 4.47Å; E73-K75 HydrophobicContact CB-CG 4.3Å; E73-K75 PolarHBondContact O-N 2.78Å; E73-K75 VanDerWaalsContact O-N 3.16Å; E73-K75 WeakPolarHBondContact OE2-CD 3.45Å; E73-K75 VanDerWaalsContact OE2-CE 3.23Å; E73-K75 WeakPolarHBondContact OE2-CE 3.42Å; E73-K75 IonicContact OE2-NZ 3.45Å; E73-K75 PolarHBondContact OE2-NZ 2.83Å; K75-G77 PolarHBondContact O-N 3.13Å; K75-G77 VanDerWaalsContact O-N 3.09Å | ||
| 76 | K | 44.6 | Very low | 58.1 | Low | 204 Ų | 204 | 83 Ų | 83 | 89% | 0.887 | 46% | 0.457 | S | S | * | . | trans | -63.4 | 109.5 | 160.9 | -67 | -178 | -178.1 | 176.9 | 0 | 106.1 | G74 | G74-K76 PolarHBondContact O-N 2.93Š| ||
| 77 | G | 39.1 | Very low | 56.8 | Low | 47 Ų | 47 | 79.2 Ų | 79.2 | 49% | 0.485 | 44% | 0.44 | S | S | . | . | trans | -46.2 | 143.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | K75 A79 | K75-G77 PolarHBondContact O-N 3.13Å; K75-G77 VanDerWaalsContact O-N 3.09Å; G77-A79 PolarHBondContact O-N 3Å; G77-A79 VanDerWaalsContact O-N 3.17Å | ||
| 78 | R | 33.6 | Very low | 55.8 | Low | 258 Ų | 258 | 78.1 Ų | 78.1 | 97% | 0.974 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | 120.8 | 173.2 | -94.5 | 177.3 | 167.4 | 168.7 | -4.6 | 109.2 | A80 | R78-A80 PolarHBondContact O-N 2.82Š|
| 79 | A | 37.3 | Very low | 55.1 | Low | 87 Ų | 87 | 81.4 Ų | 81.4 | 72% | 0.719 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 42.5 | 62.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | G77 | G77-A79 PolarHBondContact O-N 3Å; G77-A79 VanDerWaalsContact O-N 3.17Å |
| 80 | A | 34.5 | Very low | 54.9 | Low | 53 Ų | 53 | 79.8 Ų | 79.8 | 44% | 0.438 | 45% | 0.446 | S | S | . | . | trans | -71 | 137.4 | 163 | 0 | 0 | 0 | 0 | 0 | 110.1 | R78 K82 | R78-A80 PolarHBondContact O-N 2.82Å; A80-K82 PolarHBondContact O-N 2.91Å | ||
| 81 | V | 36.4 | Very low | 55.4 | Low | 25 Ų | 25 | 78 Ų | 78 | 15% | 0.152 | 43% | 0.434 | C | S | . | . | trans | -51 | 114.8 | 157.9 | -174 | 0 | 0 | 0 | 0 | 105 | T83 P106 | V81-T83 HydrophobicContact CG1-CG2 4.47Å; V81-T83 PolarHBondContact O-N 3.41Å; V81-P106 VanDerWaalsContact CG2-CA 3.44Å; V81-P106 HydrophobicContact CG2-CB 4.41Å; V81-P106 WeakPolarHBondContact CG2-O 3.39Å | ||
| 82 | K | 38.1 | Very low | 56.1 | Low | 118 Ų | 118 | 72.8 Ų | 72.8 | 51% | 0.513 | 41% | 0.41 | S | S | . | . | trans | -51.5 | 140 | 170.5 | -64.3 | 175.2 | -176.2 | 172.3 | 0 | 105.1 | A80 I87 T90 | A80-K82 PolarHBondContact O-N 2.91Å; K82-I87 HydrophobicContact CB-CG2 4.07Å; K82-I87 WeakPolarHBondContact O-CG2 3.38Å; K82-T90 HydrophobicContact CD-CG2 4.38Å | ||
| 83 | T | 38.3 | Very low | 56.8 | Low | 29 Ų | 29 | 66.9 Ų | 66.9 | 18% | 0.178 | 38% | 0.382 | C | S | . | . | trans | -133.6 | 157.9 | 168.6 | 75.3 | 0 | 0 | 0 | 0 | 109 | V81 S396 | V81-T83 HydrophobicContact CG1-CG2 4.47Å; V81-T83 PolarHBondContact O-N 3.41Å; T83-S396 VanDerWaalsContact OG1-CA 3.24Å; T83-S396 WeakPolarHBondContact OG1-CA 3.5Å; T83-S396 PolarHBondContact OG1-O 2.81Å | ||
| 84 | G | 48.4 | Very low | 57.4 | Low | 14 Ų | 14 | 62.4 Ų | 62.4 | 14% | 0.144 | 36% | 0.361 | C | S | . | . | S | Bend | trans | 86.5 | -172.9 | -165.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A86 I87 | G84-A86 PolarHBondContact O-N 2.85Å; G84-I87 WeakPolarHBondContact O-CG1 3.38Å; G84-I87 PolarHBondContact O-N 2.89Å |
| 85 | G | 45.8 | Very low | 58.1 | Low | 58 Ų | 58 | 61 Ų | 61 | 60% | 0.598 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -51.5 | -20.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | F88 | G85-F88 PolarHBondContact O-N 2.81Š|
| 86 | A | 53.3 | Low | 59.6 | Low | 45 Ų | 45 | 58.5 Ų | 58.5 | 37% | 0.372 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -68.6 | -23.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115 | G84 F88 N89 | G84-A86 PolarHBondContact O-N 2.85Å; A86-F88 PolarHBondContact O-N 3.15Å; A86-N89 WeakPolarHBondContact O-CB 3.45Å; A86-N89 PolarHBondContact O-N 3.26Å; A86-N89 VanDerWaalsContact O-N 3.08Å |
| 87 | I | 62.5 | Low | 61.5 | Low | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -65 | -31.1 | 174.8 | 47.9 | 149.5 | 0 | 0 | 0 | 113.2 | K82 G84 N89 T90 Q92 P95 Y96 T125 | K82-I87 HydrophobicContact CB-CG2 4.07Å; K82-I87 WeakPolarHBondContact O-CG2 3.38Å; G84-I87 WeakPolarHBondContact O-CG1 3.38Å; G84-I87 PolarHBondContact O-N 2.89Å; I87-N89 PolarHBondContact O-N 2.91Å; I87-T90 PolarHBondContact O-N 3.49Å; I87-T90 PolarHBondContact O-OG1 2.92Å; I87-Q92 VanDerWaalsContact CG2-NE2 3.34Å; I87-P95 HydrophobicContact CD1-CG 4.26Å; I87-Y96 HydrophobicContact CD1-CD2 3.54Å; I87-Y96 HydrophobicContact CD1-CE2 3.34Å; I87-Y96 HydrophobicContact CG1-CE2 4.23Å; I87-T125 HydrophobicContact CB-CG2 4.5Å; I87-T125 HydrophobicContact CD1-CG2 4.29Å |
| 88 | F | 64.9 | Low | 63.9 | Low | 7 Ų | 7 | 50.9 Ų | 50.9 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -75.3 | -2.4 | 177.7 | -60.2 | -73.6 | 0 | 0 | 0 | 111.9 | G85 A86 Y96 T125 K126 K268 T272 | G85-F88 PolarHBondContact O-N 2.81Å; A86-F88 PolarHBondContact O-N 3.15Å; F88-Y96 HydrophobicContact CZ-CD2 4.06Å; F88-T125 WeakPolarHBondContact CD1-O 3.4Å; F88-K126 VanDerWaalsContact O-CE 3.27Å; F88-K126 WeakPolarHBondContact O-CE 3.48Å; F88-K268 HydrophobicContact CB-CB 4.45Å; F88-K268 HydrophobicContact CB-CD 3.86Å; F88-K268 HydrophobicContact CB-CG 4.16Å; F88-K268 VanDerWaalsContact O-CE 3.26Å; F88-K268 WeakPolarHBondContact O-CE 3.23Å; F88-T272 HydrophobicContact CD1-CG2 4.48Å; F88-T272 HydrophobicContact CD2-CG2 4.18Å; F88-T272 HydrophobicContact CE1-CG2 4.11Å; F88-T272 HydrophobicContact CE2-CG2 3.78Å; F88-T272 HydrophobicContact CZ-CG2 3.8Å |
| 89 | N | 73.1 | Confident | 66 | Low | 97 Ų | 97 | 39.5 Ų | 39.5 | 52% | 0.519 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -93 | -15.7 | 174.4 | -61.1 | -18 | 0 | 0 | 0 | 112.3 | A86 I87 K126 K268 | A86-N89 WeakPolarHBondContact O-CB 3.45Å; A86-N89 PolarHBondContact O-N 3.26Å; A86-N89 VanDerWaalsContact O-N 3.08Å; I87-N89 PolarHBondContact O-N 2.91Å; N89-K126 VanDerWaalsContact C-CE 3.46Å; N89-K126 VanDerWaalsContact C-NZ 3.35Å; N89-K126 WeakPolarHBondContact O-CE 3.24Å; N89-K126 PolarHBondContact O-NZ 2.79Å; N89-K268 PolarHBondContact OD1-NZ 3.42Å |
| 90 | T | 80.9 | Confident | 67.5 | Low | 40 Ų | 40 | 41 Ų | 41 | 25% | 0.245 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -110.8 | 149.7 | 176.7 | 48.1 | 0 | 0 | 0 | 0 | 111.6 | K82 I87 Q92 T125 K126 | K82-T90 HydrophobicContact CD-CG2 4.38Å; I87-T90 PolarHBondContact O-N 3.49Å; I87-T90 PolarHBondContact O-OG1 2.92Å; T90-Q92 PolarHBondContact O-N 3.43Å; T90-Q92 PolarHBondContact OG1-OE1 2.94Å; T90-T125 PolarHBondContact O-OG1 3.42Å; T90-K126 VanDerWaalsContact C-CE 3.43Å; T90-K126 VanDerWaalsContact O-CE 3.28Å; T90-K126 WeakPolarHBondContact O-CE 3.45Å |
| 91 | W | 90.6 | Very high | 69.1 | Low | 28 Ų | 28 | 39.8 Ų | 39.8 | 11% | 0.106 | 23% | 0.233 | C | C | . | . | trans | -82.1 | 108.5 | 173.5 | -77.2 | 95.6 | 0 | 0 | 0 | 109.2 | K126 V128 F242 L258 D259 A261 T266 | W91-K126 HydrophobicContact CD2-CB 4.03Å; W91-K126 HydrophobicContact CD2-CD 4.4Å; W91-K126 HydrophobicContact CE3-CB 3.88Å; W91-K126 HydrophobicContact CH2-CB 3.62Å; W91-K126 HydrophobicContact CZ2-CB 3.81Å; W91-K126 HydrophobicContact CZ2-CD 4.3Å; W91-K126 HydrophobicContact CZ3-CB 3.67Å; W91-K126 WeakPolarHBondContact CZ3-O 3.44Å; W91-V128 HydrophobicContact CH2-CG1 3.9Å; W91-V128 HydrophobicContact CZ2-CG1 4.34Å; W91-F242 HydrophobicContact CB-CB 3.93Å; W91-F242 HydrophobicContact CB-CD2 4.1Å; W91-F242 HydrophobicContact CB-CG 4.1Å; W91-F242 WeakPolarHBondContact O-CD2 3.48Å; W91-L258 HydrophobicContact CD2-CB 4.49Å; W91-L258 HydrophobicContact CE3-CB 4.2Å; W91-L258 HydrophobicContact CE3-CD1 4.44Å; W91-L258 HydrophobicContact CH2-CD2 3.76Å; W91-L258 HydrophobicContact CZ2-CD2 4.49Å; W91-L258 VanDerWaalsContact CZ2-O 3.25Å; W91-L258 WeakPolarHBondContact CZ2-O 3.48Å; W91-L258 HydrophobicContact CZ3-CB 4.22Å; W91-L258 HydrophobicContact CZ3-CD1 4.11Å; W91-L258 HydrophobicContact CZ3-CD2 3.81Å; W91-L258 HydrophobicContact CZ3-CG 4.3Å; W91-L258 PolarHBondContact NE1-O 3.44Å; W91-D259 HydrophobicContact CB-CB 4.24Å; W91-D259 HydrophobicContact CG-CB 4.06Å; W91-A261 HydrophobicContact CZ2-CB 4.11Å; W91-T266 HydrophobicContact CH2-CG2 4.35Å; W91-T266 HydrophobicContact CZ2-CG2 3.8Å | ||
| 92 | Q | 92.1 | Very high | 71 | Confident | 13 Ų | 13 | 38.7 Ų | 38.7 | 6% | 0.061 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -158.7 | 172.2 | -177.4 | 64.8 | -176.8 | 36.2 | 0 | 0 | 109.7 | I87 T90 G108 S124 T125 | I87-Q92 VanDerWaalsContact CG2-NE2 3.34Å; T90-Q92 PolarHBondContact O-N 3.43Å; T90-Q92 PolarHBondContact OG1-OE1 2.94Å; Q92-G108 WeakPolarHBondContact CB-O 3.27Å; Q92-S124 CarbonylContact O-C 3.49Å; Q92-S124 VanDerWaalsContact O-CA 3.3Å; Q92-S124 WeakPolarHBondContact O-CA 3.11Å; Q92-T125 HydrophobicContact CG-CG2 3.57Å; Q92-T125 PolarHBondContact N-OG1 2.85Å; Q92-T125 PolarHBondContact O-N 2.88Å; Q92-T125 PolarHBondContact O-OG1 3.37Å |
| 93 | M | 92.8 | Very high | 72.1 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 141.1 | 172.5 | -61.3 | -57.7 | -69.9 | 0 | 0 | 110.7 | P95 I104 G108 C111 C122 F240 F242 | M93-P95 VanDerWaalsContact O-CD 3.32Å; M93-P95 WeakPolarHBondContact O-CD 3.3Å; M93-I104 HydrophobicContact CB-CD1 3.86Å; M93-I104 HydrophobicContact CB-CG1 4.31Å; M93-I104 HydrophobicContact CB-CG2 4.12Å; M93-G108 PolarHBondContact N-O 3.22Å; M93-C111 WeakPolarHBondContact CG-SG 3.39Å; M93-C122 HydrophobicContact CE-CB 3.86Å; M93-F240 HydrophobicContact CE-CE1 4.36Å; M93-F240 HydrophobicContact CE-CE2 4.14Å; M93-F240 HydrophobicContact CE-CZ 3.87Å; M93-F240 HydrophobicContact CG-CD2 4.04Å; M93-F240 HydrophobicContact CG-CE2 4.2Å; M93-F240 HydrophobicContact CG-CG 4.35Å; M93-F240 HydrophobicContact SD-CD1 4.07Å; M93-F240 HydrophobicContact SD-CD2 4.19Å; M93-F240 HydrophobicContact SD-CE1 3.9Å; M93-F240 HydrophobicContact SD-CE2 4.04Å; M93-F240 HydrophobicContact SD-CG 4.2Å; M93-F240 HydrophobicContact SD-CZ 3.88Å; M93-F242 HydrophobicContact SD-CE2 4.5Å; M93-F242 HydrophobicContact SD-CZ 3.85Å |
| 94 | N | 89.4 | Confident | 73.8 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 111.9 | -169.7 | -173.5 | -3.6 | 0 | 0 | 0 | 111.5 | Y96 D97 C122 R123 T125 S269 Q271 | N94-Y96 PolarHBondContact O-N 2.89Å; N94-Y96 VanDerWaalsContact O-N 3.09Å; N94-Y96 WeakPolarHBondContact OD1-CB 3.43Å; N94-Y96 PolarHBondContact OD1-N 3.14Å; N94-D97 HydrophobicContact CB-CB 3.89Å; N94-D97 WeakPolarHBondContact ND2-CB 3.33Å; N94-D97 PolarHBondContact O-N 3.39Å; N94-D97 VanDerWaalsContact O-N 3.12Å; N94-C122 PolarHBondContact O-SG 2.91Å; N94-C122 VanDerWaalsContact O-SG 3.36Å; N94-R123 WeakPolarHBondContact CA-O 3.24Å; N94-R123 WeakPolarHBondContact CB-O 3.23Å; N94-R123 PolarHBondContact N-O 3.37Å; N94-T125 HydrophobicContact CB-CG2 3.94Å; N94-S269 PolarHBondContact ND2-OG 3.11Å; N94-Q271 PolarHBondContact ND2-O 3.41Å |
| 95 | P | 74.7 | Confident | 74.3 | Confident | 30 Ų | 30 | 34.8 Ų | 34.8 | 20% | 0.195 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | -14.2 | -179.9 | 28.9 | -36.3 | 0 | 0 | 0 | 114 | I87 M93 R98 I104 | I87-P95 HydrophobicContact CD1-CG 4.26Å; M93-P95 VanDerWaalsContact O-CD 3.32Å; M93-P95 WeakPolarHBondContact O-CD 3.3Å; P95-R98 WeakPolarHBondContact O-CD 3.38Å; P95-R98 PolarHBondContact O-NE 2.81Å; P95-R98 VanDerWaalsContact O-NE 3.12Å; P95-I104 HydrophobicContact CB-CD1 4.31Å |
| 96 | Y | 80.6 | Confident | 74.6 | Confident | 75 Ų | 75 | 36.7 Ų | 36.7 | 29% | 0.294 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | -5.9 | 178.6 | -53.4 | -64.7 | 0 | 0 | 0 | 113.6 | I87 F88 N94 Q271 | I87-Y96 HydrophobicContact CD1-CD2 3.54Å; I87-Y96 HydrophobicContact CD1-CE2 3.34Å; I87-Y96 HydrophobicContact CG1-CE2 4.23Å; F88-Y96 HydrophobicContact CZ-CD2 4.06Å; N94-Y96 PolarHBondContact O-N 2.89Å; N94-Y96 VanDerWaalsContact O-N 3.09Å; N94-Y96 WeakPolarHBondContact OD1-CB 3.43Å; N94-Y96 PolarHBondContact OD1-N 3.14Å; Y96-Q271 WeakPolarHBondContact CB-O 3.36Å |
| 97 | D | 86.3 | Confident | 75.3 | Confident | 8 Ų | 8 | 38.1 Ų | 38.1 | 4% | 0.043 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 58.6 | -178.7 | -160 | 1.4 | 0 | 0 | 0 | 110 | N94 C122 R123 S269 Q271 | N94-D97 HydrophobicContact CB-CB 3.89Å; N94-D97 WeakPolarHBondContact ND2-CB 3.33Å; N94-D97 PolarHBondContact O-N 3.39Å; N94-D97 VanDerWaalsContact O-N 3.12Å; D97-C122 WeakPolarHBondContact O-CA 3Å; D97-R123 VanDerWaalsContact CG-NE 3.29Å; D97-R123 PolarHBondContact O-N 3.4Å; D97-R123 VanDerWaalsContact O-N 3.14Å; D97-R123 IonicContact OD1-CZ 3.41Å; D97-R123 IonicContact OD1-NE 2.94Å; D97-R123 PolarHBondContact OD1-NE 3.28Å; D97-R123 IonicContact OD1-NH2 2.53Å; D97-R123 PolarHBondContact OD1-NH2 3.4Å; D97-R123 IonicContact OD2-CZ 3.81Å; D97-R123 IonicContact OD2-NE 3.7Å; D97-R123 PolarHBondContact OD2-NE 3.45Å; D97-R123 IonicContact OD2-NH2 2.74Å; D97-R123 PolarHBondContact OD2-NH2 2.96Å; D97-S269 PolarHBondContact OD2-OG 2.81Å; D97-Q271 HydrophobicContact CB-CB 3.74Å; D97-Q271 HydrophobicContact CB-CG 4.17Å |
| 98 | R | 89 | Confident | 76 | Confident | 84 Ų | 84 | 38.2 Ų | 38.2 | 32% | 0.317 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 153.7 | -173.8 | 72.8 | 179.6 | 179.8 | 86.8 | 1.8 | 112.3 | P95 P100 F102 G121 C122 L156 | P95-R98 WeakPolarHBondContact O-CD 3.38Å; P95-R98 PolarHBondContact O-NE 2.81Å; P95-R98 VanDerWaalsContact O-NE 3.12Å; R98-P100 PolarHBondContact NH1-O 3.46Å; R98-F102 HydrophobicContact CB-CB 4.2Å; R98-F102 HydrophobicContact CB-CD1 4.3Å; R98-F102 HydrophobicContact CB-CG 4.47Å; R98-F102 WeakPolarHBondContact CD-O 3.39Å; R98-F102 PolarHBondContact NH1-O 3.42Å; R98-G121 CarbonylContact C-O 3.5Å; R98-G121 VanDerWaalsContact CA-O 3.27Å; R98-G121 WeakPolarHBondContact CA-O 3.3Å; R98-C122 HydrophobicContact CB-CB 4Å; R98-L156 VanDerWaalsContact C-CD1 3.42Å |
| 99 | S | 78 | Confident | 76.9 | Confident | 19 Ų | 19 | 39.4 Ų | 39.4 | 13% | 0.133 | 22% | 0.224 | C | C | . | . | trans | -72.7 | 157.1 | 170.6 | -59.8 | 0 | 0 | 0 | 0 | 111.6 | A101 F102 H120 G121 L156 | S99-A101 PolarHBondContact O-N 3.06Å; S99-F102 VanDerWaalsContact O-CB 3.28Å; S99-F102 WeakPolarHBondContact O-CB 3.15Å; S99-F102 PolarHBondContact O-N 3.08Å; S99-H120 WeakPolarHBondContact CB-ND1 3.41Å; S99-G121 PolarHBondContact N-O 3.5Å; S99-G121 PolarHBondContact OG-N 3.21Å; S99-L156 WeakPolarHBondContact OG-CB 3.42Å | ||
| 100 | P | 68.9 | Low | 77.4 | Confident | 119 Ų | 119 | 36 Ų | 36 | 77% | 0.773 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -44.2 | -170.3 | -29 | 36.1 | 0 | 0 | 0 | 115.4 | R98 F102 | R98-P100 PolarHBondContact NH1-O 3.46Å; P100-F102 VanDerWaalsContact C-N 3.31Å; P100-F102 PolarHBondContact O-N 3.39Å |
| 101 | A | 66.6 | Low | 77.5 | Confident | 27 Ų | 27 | 34.2 Ų | 34.2 | 22% | 0.223 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 23.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | S99 S113 E115 | S99-A101 PolarHBondContact O-N 3.06Å; A101-S113 WeakPolarHBondContact O-CB 3.36Å; A101-S113 PolarHBondContact O-OG 2.75Å; A101-E115 HydrophobicContact CB-CG 3.61Å |
| 102 | F | 77.4 | Confident | 77 | Confident | 1 Ų | 1 | 36 Ų | 36 | 0% | 0.004 | 21% | 0.206 | C | C | . | . | trans | -98 | 115.7 | 171.6 | -163.5 | -81.4 | 0 | 0 | 0 | 110 | R98 S99 P100 I104 C111 H120 C122 C231 L233 | R98-F102 HydrophobicContact CB-CB 4.2Å; R98-F102 HydrophobicContact CB-CD1 4.3Å; R98-F102 HydrophobicContact CB-CG 4.47Å; R98-F102 WeakPolarHBondContact CD-O 3.39Å; R98-F102 PolarHBondContact NH1-O 3.42Å; S99-F102 VanDerWaalsContact O-CB 3.28Å; S99-F102 WeakPolarHBondContact O-CB 3.15Å; S99-F102 PolarHBondContact O-N 3.08Å; P100-F102 VanDerWaalsContact C-N 3.31Å; P100-F102 PolarHBondContact O-N 3.39Å; F102-I104 HydrophobicContact CD1-CG1 4.02Å; F102-I104 HydrophobicContact CE1-CG1 3.97Å; F102-C111 HydrophobicContact CE1-CB 3.57Å; F102-C111 HydrophobicContact CZ-CB 3.57Å; F102-H120 HydrophobicContact CB-CB 4.12Å; F102-H120 HydrophobicContact CD2-CB 4.25Å; F102-H120 WeakPolarHBondContact CD2-O 3.36Å; F102-C122 HydrophobicContact CD1-CB 3.53Å; F102-C122 HydrophobicContact CD2-CB 4.19Å; F102-C122 HydrophobicContact CE1-CB 3.22Å; F102-C122 HydrophobicContact CE2-CB 3.9Å; F102-C122 HydrophobicContact CG-CB 4Å; F102-C122 HydrophobicContact CZ-CB 3.42Å; F102-C122 VanDerWaalsContact CZ-CB 3.42Å; F102-C231 WeakPolarHBondContact CZ-SG 3.29Å; F102-L233 HydrophobicContact CD2-CD1 4.24Å; F102-L233 HydrophobicContact CD2-CG 4.44Å; F102-L233 HydrophobicContact CE2-CB 4.37Å; F102-L233 HydrophobicContact CE2-CD1 3.53Å; F102-L233 HydrophobicContact CE2-CG 3.69Å; F102-L233 HydrophobicContact CZ-CD1 3.82Å; F102-L233 HydrophobicContact CZ-CG 4.34Å | ||
| 103 | A | 60.7 | Low | 76.1 | Confident | 23 Ų | 23 | 35.4 Ų | 35.4 | 19% | 0.19 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 145.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111 | C111 Q112 | A103-C111 CarbonylContact O-C 3.58Å; A103-C111 VanDerWaalsContact O-CA 3.29Å; A103-C111 WeakPolarHBondContact O-CA 3.45Å; A103-Q112 HydrophobicContact CB-CG 3.89Å; A103-Q112 PolarHBondContact N-O 2.85Å; A103-Q112 PolarHBondContact O-N 3.14Å |
| 104 | I | 75.1 | Confident | 75.3 | Confident | 39 Ų | 39 | 39.4 Ų | 39.4 | 20% | 0.2 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 130.8 | 175 | -53.4 | 173.4 | 0 | 0 | 0 | 106.8 | M93 P95 F102 C110 | M93-I104 HydrophobicContact CB-CD1 3.86Å; M93-I104 HydrophobicContact CB-CG1 4.31Å; M93-I104 HydrophobicContact CB-CG2 4.12Å; P95-I104 HydrophobicContact CB-CD1 4.31Å; F102-I104 HydrophobicContact CD1-CG1 4.02Å; F102-I104 HydrophobicContact CE1-CG1 3.97Å; I104-C110 CarbonylContact C-O 3.57Å; I104-C110 WeakPolarHBondContact CA-O 3.48Å |
| 105 | G | 57.2 | Low | 74.3 | Confident | 18 Ų | 18 | 43.3 Ų | 43.3 | 19% | 0.186 | 24% | 0.237 | C | C | . | . | trans | -68 | 167 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | D107 G108 C110 | G105-D107 PolarHBondContact O-N 3.29Å; G105-D107 VanDerWaalsContact O-N 3.16Å; G105-G108 PolarHBondContact O-N 2.76Å; G105-C110 PolarHBondContact N-O 3.29Å | ||
| 106 | P | 53.4 | Low | 74.1 | Confident | 97 Ų | 97 | 48.9 Ų | 48.9 | 63% | 0.63 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -23.2 | -176.4 | -24.5 | 34.9 | 0 | 0 | 0 | 115 | V81 G108 | V81-P106 VanDerWaalsContact CG2-CA 3.44Å; V81-P106 HydrophobicContact CG2-CB 4.41Å; V81-P106 WeakPolarHBondContact CG2-O 3.39Å; P106-G108 VanDerWaalsContact C-N 3.26Å |
| 107 | D | 68.4 | Low | 73.8 | Confident | 76 Ų | 76 | 53.5 Ų | 53.5 | 41% | 0.406 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -12.1 | 175.3 | 62.1 | -0.2 | 0 | 0 | 0 | 113 | G105 L109 C110 | G105-D107 PolarHBondContact O-N 3.29Å; G105-D107 VanDerWaalsContact O-N 3.16Å; D107-L109 PolarHBondContact O-N 3.12Å; D107-L109 PolarHBondContact OD1-N 3.46Å; D107-C110 PolarHBondContact OD1-N 3.39Å |
| 108 | G | 75.5 | Confident | 73.5 | Confident | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.01 | 31% | 0.306 | C | S | . | . | S | Bend | trans | 73.1 | 5.4 | -174 | 0 | 0 | 0 | 0 | 0 | 114 | Q92 M93 G105 P106 | Q92-G108 WeakPolarHBondContact CB-O 3.27Å; M93-G108 PolarHBondContact N-O 3.22Å; G105-G108 PolarHBondContact O-N 2.76Å; P106-G108 VanDerWaalsContact C-N 3.26Å |
| 109 | L | 85.6 | Confident | 73.5 | Confident | 33 Ų | 33 | 58.8 Ų | 58.8 | 17% | 0.173 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -119.3 | -34 | -171.2 | -63.2 | 180 | 0 | 0 | 0 | 112.2 | D107 F240 F242 | D107-L109 PolarHBondContact O-N 3.12Å; D107-L109 PolarHBondContact OD1-N 3.46Å; L109-F240 WeakPolarHBondContact CB-O 3.48Å; L109-F240 HydrophobicContact CD2-CB 4.42Å; L109-F240 WeakPolarHBondContact O-CD2 3.4Å; L109-F240 PolarHBondContact O-N 3.45Å; L109-F242 HydrophobicContact CD2-CD2 3.54Å; L109-F242 HydrophobicContact CD2-CE2 3.65Å |
| 110 | C | 82.5 | Confident | 73.8 | Confident | 26 Ų | 26 | 58.5 Ų | 58.5 | 18% | 0.176 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 135.5 | 171.2 | -169 | 0 | 0 | 0 | 0 | 110.2 | I104 G105 D107 L238 | I104-C110 CarbonylContact C-O 3.57Å; I104-C110 WeakPolarHBondContact CA-O 3.48Å; G105-C110 PolarHBondContact N-O 3.29Å; D107-C110 PolarHBondContact OD1-N 3.39Å; C110-L238 CarbonylContact C-O 3.6Å; C110-L238 WeakPolarHBondContact CA-O 3.35Å |
| 111 | C | 84 | Confident | 75 | Confident | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.007 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 139.2 | -177.8 | -66.8 | 0 | 0 | 0 | 0 | 110.5 | M93 F102 A103 L233 E237 L238 F240 | M93-C111 WeakPolarHBondContact CG-SG 3.39Å; F102-C111 HydrophobicContact CE1-CB 3.57Å; F102-C111 HydrophobicContact CZ-CB 3.57Å; A103-C111 CarbonylContact O-C 3.58Å; A103-C111 VanDerWaalsContact O-CA 3.29Å; A103-C111 WeakPolarHBondContact O-CA 3.45Å; C111-L233 HydrophobicContact CB-CD1 4.29Å; C111-E237 CarbonylContact O-C 3.56Å; C111-E237 VanDerWaalsContact O-CA 3.29Å; C111-E237 WeakPolarHBondContact O-CA 3.43Å; C111-E237 WeakPolarHBondContact O-CG 3.44Å; C111-L238 PolarHBondContact N-O 2.81Å; C111-L238 PolarHBondContact O-N 3.38Å; C111-F240 HydrophobicContact CB-CE2 4.48Å |
| 112 | Q | 79.2 | Confident | 76.3 | Confident | 65 Ų | 65 | 51.6 Ų | 51.6 | 30% | 0.304 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 153.8 | 179.5 | 61.6 | 177.3 | -19.6 | 0 | 0 | 112.6 | A103 A236 E237 | A103-Q112 HydrophobicContact CB-CG 3.89Å; A103-Q112 PolarHBondContact N-O 2.85Å; A103-Q112 PolarHBondContact O-N 3.14Å; Q112-A236 VanDerWaalsContact CA-O 3.3Å; Q112-A236 WeakPolarHBondContact CA-O 3.47Å; Q112-E237 HydrophobicContact CB-CB 4.01Å; Q112-E237 HydrophobicContact CB-CG 4.06Å |
| 113 | S | 72.8 | Confident | 77.2 | Confident | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.014 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 133.2 | 161.1 | -173.8 | 0 | 0 | 0 | 0 | 108.6 | A101 N235 A236 | A101-S113 WeakPolarHBondContact O-CB 3.36Å; A101-S113 PolarHBondContact O-OG 2.75Å; S113-N235 CarbonylContact O-C 3.5Å; S113-N235 VanDerWaalsContact O-C 3.28Å; S113-N235 WeakPolarHBondContact O-CA 3.11Å; S113-N235 PolarHBondContact O-N 2.82Å; S113-A236 PolarHBondContact N-O 2.97Å; S113-A236 PolarHBondContact O-N 2.8Å |
| 114 | R | 75.9 | Confident | 78.9 | Confident | 83 Ų | 83 | 51 Ų | 51 | 31% | 0.313 | 25% | 0.247 | S | C | . | . | trans | -101.7 | 14.2 | 179.4 | -56.2 | -61.5 | 173.2 | -168.4 | -2.7 | 112.7 | F116 D141 E237 | R114-F116 WeakPolarHBondContact O-CD2 3.28Å; R114-F116 WeakPolarHBondContact O-CE2 3.45Å; R114-D141 IonicContact CZ-OD2 2.72Å; R114-D141 IonicContact NH1-OD2 2.66Å; R114-D141 PolarHBondContact NH1-OD2 2.73Å; R114-E237 IonicContact NH2-OE2 3.56Å; R114-E237 PolarHBondContact NH2-OE2 3.31Å | ||
| 115 | E | 69.6 | Low | 79.7 | Confident | 83 Ų | 83 | 49.1 Ų | 49.1 | 39% | 0.388 | 24% | 0.238 | S | C | . | . | trans | -79.7 | 125.9 | 179.6 | -77.8 | -67.8 | 164 | 0 | 0 | 111.7 | A101 K234 N235 | A101-E115 HydrophobicContact CB-CG 3.61Å; E115-K234 CarbonylContact O-C 3.54Å; E115-K234 WeakPolarHBondContact O-CG 3.5Å; E115-N235 PolarHBondContact O-N 3.14Å | ||
| 116 | F | 70.8 | Confident | 81.5 | Confident | 146 Ų | 146 | 49.5 Ų | 49.5 | 64% | 0.64 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -88.6 | -14.9 | -176.2 | -67.9 | -90.5 | 0 | 0 | 0 | 113.3 | R114 K234 N235 | R114-F116 WeakPolarHBondContact O-CD2 3.28Å; R114-F116 WeakPolarHBondContact O-CE2 3.45Å; F116-K234 VanDerWaalsContact C-CE 3.45Å; F116-K234 WeakPolarHBondContact O-CE 3.43Å; F116-K234 PolarHBondContact O-NZ 3.09Å; F116-N235 HydrophobicContact CD1-CB 4.04Å; F116-N235 HydrophobicContact CE1-CB 4.11Å; F116-N235 VanDerWaalsContact CE1-CG 3.43Å; F116-N235 VanDerWaalsContact CE1-ND2 3.27Å; F116-N235 WeakPolarHBondContact CE1-ND2 3.46Å; F116-N235 HydrophobicContact CG-CB 4.48Å |
| 117 | K | 73.7 | Confident | 83.5 | Confident | 173 Ų | 173 | 44.9 Ų | 44.9 | 75% | 0.752 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -112.5 | -51.3 | -173.8 | -68.6 | -177.5 | -179.1 | 175.8 | 0 | 112.1 | K234 | K117-K234 VanDerWaalsContact O-CE 3.3Å; K117-K234 WeakPolarHBondContact O-CE 3.42Å; K117-K234 PolarHBondContact O-NZ 3.11Å |
| 118 | E | 79.1 | Confident | 84.9 | Confident | 127 Ų | 127 | 41.3 Ų | 41.3 | 59% | 0.593 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -96.5 | 158.8 | -173.4 | -61.9 | -169.6 | 163.8 | 0 | 0 | 112.5 | H120 | E118-H120 IonicContact OE2-CE1 3.27Š|
| 119 | W | 89 | Confident | 85.8 | Confident | 75 Ų | 75 | 43.4 Ų | 43.4 | 28% | 0.284 | 20% | 0.197 | S | C | . | . | trans | -100.4 | 129.8 | 177.1 | -75.3 | 99.1 | 0 | 0 | 0 | 109.3 | L144 R146 V232 K234 | W119-L144 HydrophobicContact CH2-CB 3.61Å; W119-L144 HydrophobicContact CZ2-CB 4.2Å; W119-L144 HydrophobicContact CZ2-CD1 4.41Å; W119-L144 HydrophobicContact CZ3-CB 4.22Å; W119-R146 VanDerWaalsContact CD2-NH2 3.33Å; W119-V232 HydrophobicContact CB-CG2 3.65Å; W119-V232 HydrophobicContact CD2-CG2 4.39Å; W119-V232 HydrophobicContact CE3-CB 4.33Å; W119-V232 HydrophobicContact CE3-CG1 3.85Å; W119-V232 HydrophobicContact CE3-CG2 3.85Å; W119-V232 HydrophobicContact CG-CG2 4.39Å; W119-V232 HydrophobicContact CZ3-CG1 4.12Å; W119-K234 HydrophobicContact CD2-CB 3.94Å; W119-K234 HydrophobicContact CD2-CD 4.25Å; W119-K234 HydrophobicContact CE3-CB 3.77Å; W119-K234 HydrophobicContact CH2-CB 4.41Å; W119-K234 HydrophobicContact CZ2-CD 4.32Å; W119-K234 HydrophobicContact CZ3-CB 4.03Å | ||
| 120 | H | 85.1 | Confident | 86.2 | Confident | 13 Ų | 13 | 47.8 Ų | 47.8 | 6% | 0.06 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 133.8 | 178.3 | -64.8 | -74.9 | 0 | 0 | 0 | 109.7 | S99 F102 E118 V232 L233 | S99-H120 WeakPolarHBondContact CB-ND1 3.41Å; F102-H120 HydrophobicContact CB-CB 4.12Å; F102-H120 HydrophobicContact CD2-CB 4.25Å; F102-H120 WeakPolarHBondContact CD2-O 3.36Å; E118-H120 IonicContact OE2-CE1 3.27Å; H120-V232 VanDerWaalsContact C-CG2 3.47Å; H120-V232 CarbonylContact O-C 3.58Å; H120-V232 VanDerWaalsContact O-CA 3.27Å; H120-V232 WeakPolarHBondContact O-CA 3.3Å; H120-V232 VanDerWaalsContact O-CG2 3.32Å; H120-V232 WeakPolarHBondContact O-CG2 3.48Å; H120-L233 PolarHBondContact N-O 2.98Å; H120-L233 PolarHBondContact O-N 3.09Å |
| 121 | G | 92.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 173.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114 | R98 S99 L156 C231 | R98-G121 CarbonylContact C-O 3.5Å; R98-G121 VanDerWaalsContact CA-O 3.27Å; R98-G121 WeakPolarHBondContact CA-O 3.3Å; S99-G121 PolarHBondContact N-O 3.5Å; S99-G121 PolarHBondContact OG-N 3.21Å; G121-L156 WeakPolarHBondContact CA-O 3.08Å; G121-L156 PolarHBondContact N-O 2.91Å; G121-L156 VanDerWaalsContact N-O 3.11Å; G121-C231 CarbonylContact C-O 3.51Å; G121-C231 WeakPolarHBondContact CA-O 3.16Å |
| 122 | C | 94.4 | Very high | 87.4 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.007 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 153.7 | -175.3 | -174.2 | 0 | 0 | 0 | 0 | 110.4 | M93 N94 D97 R98 F102 S230 C231 | M93-C122 HydrophobicContact CE-CB 3.86Å; N94-C122 PolarHBondContact O-SG 2.91Å; N94-C122 VanDerWaalsContact O-SG 3.36Å; D97-C122 WeakPolarHBondContact O-CA 3Å; R98-C122 HydrophobicContact CB-CB 4Å; F102-C122 HydrophobicContact CD1-CB 3.53Å; F102-C122 HydrophobicContact CD2-CB 4.19Å; F102-C122 HydrophobicContact CE1-CB 3.22Å; F102-C122 HydrophobicContact CE2-CB 3.9Å; F102-C122 HydrophobicContact CG-CB 4Å; F102-C122 HydrophobicContact CZ-CB 3.42Å; F102-C122 VanDerWaalsContact CZ-CB 3.42Å; C122-S230 WeakPolarHBondContact O-CA 3.5Å; C122-C231 PolarHBondContact N-O 3.44Å; C122-C231 PolarHBondContact O-N 3.39Å; C122-C231 VanDerWaalsContact O-N 3.09Å |
| 123 | R | 96 | Very high | 88.2 | Confident | 12 Ų | 12 | 46.6 Ų | 46.6 | 5% | 0.045 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 158.7 | 172.4 | -68.2 | -175 | -73.5 | -139.7 | -13.4 | 111.5 | N94 D97 S150 T151 S152 A154 L156 F228 A229 | N94-R123 WeakPolarHBondContact CA-O 3.24Å; N94-R123 WeakPolarHBondContact CB-O 3.23Å; N94-R123 PolarHBondContact N-O 3.37Å; D97-R123 VanDerWaalsContact CG-NE 3.29Å; D97-R123 PolarHBondContact O-N 3.4Å; D97-R123 VanDerWaalsContact O-N 3.14Å; D97-R123 IonicContact OD1-CZ 3.41Å; D97-R123 IonicContact OD1-NE 2.94Å; D97-R123 PolarHBondContact OD1-NE 3.28Å; D97-R123 IonicContact OD1-NH2 2.53Å; D97-R123 PolarHBondContact OD1-NH2 3.4Å; D97-R123 IonicContact OD2-CZ 3.81Å; D97-R123 IonicContact OD2-NE 3.7Å; D97-R123 PolarHBondContact OD2-NE 3.45Å; D97-R123 IonicContact OD2-NH2 2.74Å; D97-R123 PolarHBondContact OD2-NH2 2.96Å; R123-S150 VanDerWaalsContact CD-OG 3.22Å; R123-S150 WeakPolarHBondContact CD-OG 3.45Å; R123-T151 PolarHBondContact NH1-O 2.76Å; R123-S152 PolarHBondContact NH1-O 3.03Å; R123-A154 PolarHBondContact NH1-O 2.82Å; R123-L156 HydrophobicContact CG-CD2 3.9Å; R123-F228 HydrophobicContact CB-CB 4.28Å; R123-A229 CarbonylContact C-O 3.3Å; R123-A229 WeakPolarHBondContact CA-O 3.48Å |
| 124 | S | 96.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 157.2 | 174.3 | 55.3 | 0 | 0 | 0 | 0 | 112.9 | Q92 K126 F228 A229 | Q92-S124 CarbonylContact O-C 3.49Å; Q92-S124 VanDerWaalsContact O-CA 3.3Å; Q92-S124 WeakPolarHBondContact O-CA 3.11Å; S124-K126 WeakPolarHBondContact CB-O 3.27Å; S124-K126 PolarHBondContact O-N 2.95Å; S124-K126 PolarHBondContact OG-O 2.89Å; S124-F228 WeakPolarHBondContact O-CD1 3.33Å; S124-A229 PolarHBondContact N-O 2.7Å; S124-A229 PolarHBondContact OG-N 2.92Å; S124-A229 PolarHBondContact OG-O 2.85Å |
| 125 | T | 92.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | -27.1 | 177.5 | 51.2 | 0 | 0 | 0 | 0 | 113.1 | I87 F88 T90 Q92 N94 S269 | I87-T125 HydrophobicContact CB-CG2 4.5Å; I87-T125 HydrophobicContact CD1-CG2 4.29Å; F88-T125 WeakPolarHBondContact CD1-O 3.4Å; T90-T125 PolarHBondContact O-OG1 3.42Å; Q92-T125 HydrophobicContact CG-CG2 3.57Å; Q92-T125 PolarHBondContact N-OG1 2.85Å; Q92-T125 PolarHBondContact O-N 2.88Å; Q92-T125 PolarHBondContact O-OG1 3.37Å; N94-T125 HydrophobicContact CB-CG2 3.94Å; T125-S269 WeakPolarHBondContact O-CB 3.23Å; T125-S269 PolarHBondContact O-N 3.09Å |
| 126 | K | 94.5 | Very high | 91.8 | Very high | 26 Ų | 26 | 38.8 Ų | 38.8 | 11% | 0.113 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 154.6 | 178.5 | -67.5 | -175.5 | -115.5 | 171.9 | 0 | 110.6 | F88 N89 T90 W91 S124 F228 T266 I267 K268 | F88-K126 VanDerWaalsContact O-CE 3.27Å; F88-K126 WeakPolarHBondContact O-CE 3.48Å; N89-K126 VanDerWaalsContact C-CE 3.46Å; N89-K126 VanDerWaalsContact C-NZ 3.35Å; N89-K126 WeakPolarHBondContact O-CE 3.24Å; N89-K126 PolarHBondContact O-NZ 2.79Å; T90-K126 VanDerWaalsContact C-CE 3.43Å; T90-K126 VanDerWaalsContact O-CE 3.28Å; T90-K126 WeakPolarHBondContact O-CE 3.45Å; W91-K126 HydrophobicContact CD2-CB 4.03Å; W91-K126 HydrophobicContact CD2-CD 4.4Å; W91-K126 HydrophobicContact CE3-CB 3.88Å; W91-K126 HydrophobicContact CH2-CB 3.62Å; W91-K126 HydrophobicContact CZ2-CB 3.81Å; W91-K126 HydrophobicContact CZ2-CD 4.3Å; W91-K126 HydrophobicContact CZ3-CB 3.67Å; W91-K126 WeakPolarHBondContact CZ3-O 3.44Å; S124-K126 WeakPolarHBondContact CB-O 3.27Å; S124-K126 PolarHBondContact O-N 2.95Å; S124-K126 PolarHBondContact OG-O 2.89Å; K126-F228 WeakPolarHBondContact O-CD1 3.49Å; K126-T266 HydrophobicContact CB-CG2 3.92Å; K126-T266 HydrophobicContact CD-CG2 3.6Å; K126-T266 HydrophobicContact CG-CG2 4.09Å; K126-I267 CarbonylContact C-O 3.25Å; K126-I267 VanDerWaalsContact CA-O 3.3Å; K126-I267 WeakPolarHBondContact CA-O 3.23Å; K126-K268 HydrophobicContact CG-CG 4.45Å |
| 127 | G | 95.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 176.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | F227 F228 T266 I267 | G127-F227 CarbonylContact C-O 3.57Å; G127-F227 WeakPolarHBondContact CA-O 3.26Å; G127-F228 VanDerWaalsContact N-CE1 3.32Å; G127-T266 CarbonylContact O-C 3.44Å; G127-T266 WeakPolarHBondContact O-CA 3.42Å; G127-I267 PolarHBondContact N-O 3.4Å; G127-I267 PolarHBondContact O-N 3.02Å |
| 128 | V | 96.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 152 | -179.5 | -70.5 | 0 | 0 | 0 | 0 | 110.9 | W91 Y133 W149 L196 L198 F227 L258 A261 H265 | W91-V128 HydrophobicContact CH2-CG1 3.9Å; W91-V128 HydrophobicContact CZ2-CG1 4.34Å; V128-Y133 HydrophobicContact CB-CD2 3.65Å; V128-Y133 HydrophobicContact CB-CE2 3.55Å; V128-Y133 HydrophobicContact CB-CG 4.38Å; V128-Y133 HydrophobicContact CG1-CD1 4.24Å; V128-Y133 HydrophobicContact CG1-CD2 3.7Å; V128-Y133 HydrophobicContact CG1-CE1 4.23Å; V128-Y133 HydrophobicContact CG1-CE2 3.6Å; V128-Y133 HydrophobicContact CG1-CG 3.99Å; V128-Y133 HydrophobicContact CG2-CD2 3.51Å; V128-Y133 HydrophobicContact CG2-CE2 3.96Å; V128-Y133 HydrophobicContact CG2-CG 4.16Å; V128-W149 HydrophobicContact CG2-CZ3 4.33Å; V128-L196 HydrophobicContact CG2-CD2 3.56Å; V128-L198 HydrophobicContact CG2-CD1 4.2Å; V128-F227 PolarHBondContact N-O 2.97Å; V128-F227 PolarHBondContact O-N 3.14Å; V128-L258 HydrophobicContact CG1-CD2 3.63Å; V128-L258 HydrophobicContact CG2-CD2 4.1Å; V128-A261 HydrophobicContact CG1-CB 3.86Å; V128-H265 CarbonylContact C-O 3.55Å; V128-H265 VanDerWaalsContact CA-O 3.28Å; V128-H265 WeakPolarHBondContact CA-O 3.34Å |
| 129 | T | 95.3 | Very high | 94.8 | Very high | 45 Ų | 45 | 18.7 Ų | 18.7 | 28% | 0.276 | 9% | 0.088 | S | C | . | . | S | Bend | trans | -123.8 | -14.3 | -174.6 | 53.6 | 0 | 0 | 0 | 0 | 113.7 | H265 I267 | T129-H265 PolarHBondContact N-O 2.96Å; T129-H265 PolarHBondContact OG1-O 3.47Å; T129-I267 HydrophobicContact CG2-CB 4.13Å; T129-I267 HydrophobicContact CG2-CG2 3.86Å |
| 130 | K | 93.8 | Very high | 94.4 | Very high | 126 Ų | 126 | 18.1 Ų | 18.1 | 55% | 0.548 | 9% | 0.09 | S | C | . | . | S | Bend | trans | -159.5 | 143.6 | 179.4 | -174.5 | 179.1 | -179.1 | -177.5 | 0 | 112.1 | Y133 L198 H265 | K130-Y133 WeakPolarHBondContact O-CE2 3.37Å; K130-Y133 PolarHBondContact O-OH 2.83Å; K130-Y133 VanDerWaalsContact O-OH 3.07Å; K130-L198 VanDerWaalsContact N-CD1 3.32Å; K130-H265 PolarHBondContact O-ND1 2.71Å |
| 131 | G | 94.6 | Very high | 94.1 | Very high | 9 Ų | 9 | 19.2 Ų | 19.2 | 9% | 0.093 | 10% | 0.097 | C | C | . | . | S | Bend | trans | 103.6 | -163.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | L198 D199 | G131-L198 WeakPolarHBondContact O-CB 3.49Å; G131-L198 PolarHBondContact O-N 3.12Å; G131-D199 PolarHBondContact N-OD1 3.41Å |
| 132 | K | 96.6 | Very high | 93.4 | Very high | 53 Ų | 53 | 26.1 Ų | 26.1 | 23% | 0.23 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 114 | -171.4 | -54.9 | -170.7 | -173.6 | -143.9 | 0 | 111.7 | L196 D197 D199 F255 V256 | K132-L196 CarbonylContact C-O 3.56Å; K132-L196 WeakPolarHBondContact CA-O 3.46Å; K132-D197 WeakPolarHBondContact CE-OD1 3.32Å; K132-D197 WeakPolarHBondContact CE-OD2 3.15Å; K132-D197 HydrophobicContact CG-CB 4.45Å; K132-D197 IonicContact NZ-OD1 2.91Å; K132-D197 IonicContact NZ-OD2 3.37Å; K132-D197 PolarHBondContact NZ-OD2 3.05Å; K132-D199 VanDerWaalsContact CE-OD2 3.28Å; K132-D199 WeakPolarHBondContact CE-OD2 3.37Å; K132-F255 HydrophobicContact CB-CD1 3.78Å; K132-F255 HydrophobicContact CB-CE1 4.01Å; K132-F255 HydrophobicContact CB-CG 4.11Å; K132-V256 WeakPolarHBondContact O-CG2 3.41Å; K132-V256 PolarHBondContact O-N 2.75Å |
| 133 | Y | 97.3 | Very high | 92.7 | Very high | 4 Ų | 4 | 26.9 Ų | 26.9 | 2% | 0.016 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 153.4 | -170.3 | -60.6 | -73.9 | 0 | 0 | 0 | 114 | V128 K130 L196 F255 V256 L258 A261 H265 | V128-Y133 HydrophobicContact CB-CD2 3.65Å; V128-Y133 HydrophobicContact CB-CE2 3.55Å; V128-Y133 HydrophobicContact CB-CG 4.38Å; V128-Y133 HydrophobicContact CG1-CD1 4.24Å; V128-Y133 HydrophobicContact CG1-CD2 3.7Å; V128-Y133 HydrophobicContact CG1-CE1 4.23Å; V128-Y133 HydrophobicContact CG1-CE2 3.6Å; V128-Y133 HydrophobicContact CG1-CG 3.99Å; V128-Y133 HydrophobicContact CG2-CD2 3.51Å; V128-Y133 HydrophobicContact CG2-CE2 3.96Å; V128-Y133 HydrophobicContact CG2-CG 4.16Å; K130-Y133 WeakPolarHBondContact O-CE2 3.37Å; K130-Y133 PolarHBondContact O-OH 2.83Å; K130-Y133 VanDerWaalsContact O-OH 3.07Å; Y133-L196 PolarHBondContact N-O 3.33Å; Y133-L196 PolarHBondContact O-N 3.06Å; Y133-F255 WeakPolarHBondContact O-CD1 3.46Å; Y133-V256 CarbonylContact C-O 3.48Å; Y133-V256 VanDerWaalsContact CA-O 3.31Å; Y133-V256 WeakPolarHBondContact CA-O 3.23Å; Y133-V256 HydrophobicContact CD1-CG2 3.66Å; Y133-V256 HydrophobicContact CE1-CG2 3.58Å; Y133-L258 HydrophobicContact CD1-CD2 4.37Å; Y133-L258 HydrophobicContact CG-CD2 4.07Å; Y133-A261 HydrophobicContact CD1-CB 4.02Å; Y133-A261 HydrophobicContact CE1-CB 3.35Å; Y133-H265 VanDerWaalsContact OH-CB 3.23Å; Y133-H265 WeakPolarHBondContact OH-CB 3.36Å; Y133-H265 PolarHBondContact OH-ND1 3.39Å |
| 134 | Y | 97.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 145.1 | -176.9 | 178.9 | -105.2 | 0 | 0 | 0 | 111.9 | E136 G193 C194 Y195 F247 H249 P251 V256 L258 | Y134-E136 HydrophobicContact CE1-CG 3.64Å; Y134-E136 WeakPolarHBondContact OH-CG 3.49Å; Y134-E136 PolarHBondContact OH-OE1 3.47Å; Y134-G193 VanDerWaalsContact CE2-CA 3.43Å; Y134-G193 WeakPolarHBondContact OH-CA 3.26Å; Y134-C194 WeakPolarHBondContact CA-O 3.42Å; Y134-Y195 AromaticContact CD2-CD1 3.73Å; Y134-Y195 HydrophobicContact CD2-CD1 3.73Å; Y134-Y195 HydrophobicContact CD2-CD2 4.02Å; Y134-Y195 AromaticContact CD2-CE1 3.52Å; Y134-Y195 HydrophobicContact CD2-CE1 3.52Å; Y134-Y195 AromaticContact CD2-CE2 3.81Å; Y134-Y195 HydrophobicContact CD2-CE2 3.81Å; Y134-Y195 AromaticContact CD2-CG 3.97Å; Y134-Y195 HydrophobicContact CD2-CG 3.97Å; Y134-Y195 AromaticContact CD2-CZ 3.55Å; Y134-Y195 HydrophobicContact CE2-CD1 4.36Å; Y134-Y195 HydrophobicContact CE2-CD2 4.04Å; Y134-Y195 AromaticContact CE2-CE1 3.84Å; Y134-Y195 HydrophobicContact CE2-CE1 3.84Å; Y134-Y195 AromaticContact CE2-CE2 3.46Å; Y134-Y195 HydrophobicContact CE2-CE2 3.46Å; Y134-Y195 VanDerWaalsContact CE2-CE2 3.46Å; Y134-Y195 HydrophobicContact CE2-CG 4.45Å; Y134-Y195 AromaticContact CE2-CZ 3.34Å; Y134-Y195 HydrophobicContact CG-CE1 4.39Å; Y134-F247 HydrophobicContact CD1-CD1 4.36Å; Y134-F247 HydrophobicContact CD1-CD2 4.1Å; Y134-F247 HydrophobicContact CD1-CE1 4.09Å; Y134-F247 AromaticContact CD1-CE2 3.8Å; Y134-F247 HydrophobicContact CD1-CE2 3.8Å; Y134-F247 HydrophobicContact CD1-CG 4.37Å; Y134-F247 AromaticContact CD1-CZ 3.79Å; Y134-F247 HydrophobicContact CD1-CZ 3.79Å; Y134-F247 HydrophobicContact CE1-CB 4.49Å; Y134-F247 AromaticContact CE1-CD1 3.91Å; Y134-F247 HydrophobicContact CE1-CD1 3.91Å; Y134-F247 HydrophobicContact CE1-CD2 4.02Å; Y134-F247 HydrophobicContact CE1-CE1 4.06Å; Y134-F247 HydrophobicContact CE1-CE2 4.16Å; Y134-F247 AromaticContact CE1-CG 3.89Å; Y134-F247 HydrophobicContact CE1-CG 3.89Å; Y134-F247 HydrophobicContact CE1-CZ 4.18Å; Y134-H249 PolarHBondContact OH-O 2.75Å; Y134-P251 HydrophobicContact CD1-CB 3.68Å; Y134-P251 HydrophobicContact CD1-CG 3.78Å; Y134-P251 HydrophobicContact CD2-CB 4.14Å; Y134-P251 HydrophobicContact CE1-CB 4.22Å; Y134-P251 HydrophobicContact CE1-CG 4.36Å; Y134-P251 HydrophobicContact CG-CB 3.61Å; Y134-P251 HydrophobicContact CG-CG 4.15Å; Y134-V256 PolarHBondContact N-O 2.68Å; Y134-L258 PolarHBondContact O-N 2.94Å |
| 135 | Y | 98.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 160.9 | 164 | 70.7 | -86.5 | 0 | 0 | 0 | 110.9 | V137 G148 W149 C194 A229 F240 N241 F242 L258 | Y135-V137 HydrophobicContact CD2-CG2 3.8Å; Y135-V137 HydrophobicContact CE2-CG2 3.39Å; Y135-G148 WeakPolarHBondContact OH-CA 3.43Å; Y135-G148 PolarHBondContact OH-N 3.01Å; Y135-G148 PolarHBondContact OH-O 3.12Å; Y135-W149 AromaticContact CD1-CH2 3.56Å; Y135-W149 HydrophobicContact CD1-CH2 3.56Å; Y135-W149 AromaticContact CD1-CZ2 3.5Å; Y135-W149 HydrophobicContact CD1-CZ2 3.5Å; Y135-W149 VanDerWaalsContact CD1-CZ2 3.5Å; Y135-W149 HydrophobicContact CD1-CZ3 4.27Å; Y135-W149 HydrophobicContact CE1-CD2 4.04Å; Y135-W149 AromaticContact CE1-CE2 3.57Å; Y135-W149 HydrophobicContact CE1-CE3 4.21Å; Y135-W149 AromaticContact CE1-CH2 3.62Å; Y135-W149 HydrophobicContact CE1-CH2 3.62Å; Y135-W149 AromaticContact CE1-CZ2 3.36Å; Y135-W149 HydrophobicContact CE1-CZ2 3.36Å; Y135-W149 HydrophobicContact CE1-CZ3 4.02Å; Y135-C194 HydrophobicContact CD1-CB 3.75Å; Y135-C194 HydrophobicContact CD2-CB 4.23Å; Y135-C194 HydrophobicContact CE1-CB 3.33Å; Y135-C194 HydrophobicContact CE2-CB 3.83Å; Y135-C194 HydrophobicContact CG-CB 4.19Å; Y135-C194 VanDerWaalsContact CZ-SG 3.57Å; Y135-C194 PolarHBondContact N-O 2.98Å; Y135-C194 PolarHBondContact O-N 3.29Å; Y135-A229 HydrophobicContact CD1-CB 4.09Å; Y135-A229 HydrophobicContact CE1-CB 3.58Å; Y135-A229 HydrophobicContact CE2-CB 4.09Å; Y135-F240 AromaticContact CD2-CD1 3.96Å; Y135-F240 HydrophobicContact CD2-CD1 3.96Å; Y135-F240 HydrophobicContact CD2-CE1 4.34Å; Y135-F240 AromaticContact CE2-CD1 3.79Å; Y135-F240 HydrophobicContact CE2-CD1 3.79Å; Y135-F240 AromaticContact CE2-CE1 3.69Å; Y135-F240 HydrophobicContact CE2-CE1 3.69Å; Y135-N241 WeakPolarHBondContact CB-O 3.32Å; Y135-F242 HydrophobicContact CD2-CD1 4.49Å; Y135-F242 HydrophobicContact CD2-CE1 4.22Å; Y135-F242 HydrophobicContact CG-CD1 4.21Å; Y135-F242 HydrophobicContact CG-CE1 4.26Å; Y135-L258 HydrophobicContact CD1-CD1 3.46Å; Y135-L258 VanDerWaalsContact CD1-CD1 3.46Å; Y135-L258 HydrophobicContact CD1-CG 4.35Å; Y135-L258 HydrophobicContact CE1-CD1 4.24Å; Y135-L258 HydrophobicContact CG-CD1 3.94Å |
| 136 | E | 97.8 | Very high | 92.6 | Very high | 5 Ų | 5 | 30.9 Ų | 30.9 | 2% | 0.023 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 150.9 | 176.7 | -74.4 | -171.8 | 148.2 | 0 | 0 | 112.2 | Y134 T191 I192 N241 F247 K248 H249 | Y134-E136 HydrophobicContact CE1-CG 3.64Å; Y134-E136 WeakPolarHBondContact OH-CG 3.49Å; Y134-E136 PolarHBondContact OH-OE1 3.47Å; E136-T191 HydrophobicContact CB-CG2 4.08Å; E136-T191 HydrophobicContact CG-CG2 4.14Å; E136-I192 CarbonylContact C-O 3.58Å; E136-I192 WeakPolarHBondContact CA-O 3.37Å; E136-N241 HydrophobicContact CB-CB 4.35Å; E136-N241 PolarHBondContact N-O 3.12Å; E136-N241 PolarHBondContact O-N 3.49Å; E136-F247 HydrophobicContact CB-CD1 4.1Å; E136-F247 HydrophobicContact CB-CE1 4.48Å; E136-F247 HydrophobicContact CG-CD1 3.68Å; E136-F247 HydrophobicContact CG-CE1 4.31Å; E136-F247 HydrophobicContact CG-CG 4.4Å; E136-F247 WeakPolarHBondContact OE2-CA 3.41Å; E136-K248 PolarHBondContact OE2-N 2.87Å; E136-H249 VanDerWaalsContact OE1-CA 3.3Å; E136-H249 WeakPolarHBondContact OE1-CA 3.46Å; E136-H249 WeakPolarHBondContact OE1-CB 3.41Å; E136-H249 IonicContact OE1-CD2 3.85Å; E136-H249 IonicContact OE1-CG 3.54Å; E136-H249 PolarHBondContact OE1-N 2.9Å |
| 137 | V | 97.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 120.5 | 169.2 | -166.9 | 0 | 0 | 0 | 0 | 109.6 | Y135 V147 T191 I192 L238 K239 F240 | Y135-V137 HydrophobicContact CD2-CG2 3.8Å; Y135-V137 HydrophobicContact CE2-CG2 3.39Å; V137-V147 HydrophobicContact CB-CG1 4.18Å; V137-V147 HydrophobicContact CG1-CG1 3.97Å; V137-V147 HydrophobicContact CG2-CB 4.34Å; V137-V147 HydrophobicContact CG2-CG1 4.08Å; V137-T191 CarbonylContact O-C 3.46Å; V137-T191 WeakPolarHBondContact O-CA 3.23Å; V137-I192 PolarHBondContact N-O 2.81Å; V137-I192 PolarHBondContact O-N 3.32Å; V137-L238 HydrophobicContact CG1-CB 3.69Å; V137-L238 HydrophobicContact CG1-CD1 3.82Å; V137-L238 HydrophobicContact CG1-CD2 4.06Å; V137-L238 HydrophobicContact CG1-CG 4.07Å; V137-K239 CarbonylContact C-O 3.58Å; V137-K239 WeakPolarHBondContact CA-O 3.29Å; V137-F240 HydrophobicContact CG1-CD2 4.45Å; V137-F240 HydrophobicContact CG1-CE2 4.36Å; V137-F240 HydrophobicContact CG1-CZ 4.46Å; V137-F240 HydrophobicContact CG2-CD1 3.78Å; V137-F240 HydrophobicContact CG2-CE1 3.73Å; V137-F240 HydrophobicContact CG2-CG 4.37Å; V137-F240 HydrophobicContact CG2-CZ 4.26Å |
| 138 | T | 96.8 | Very high | 92.9 | Very high | 21 Ų | 21 | 29.7 Ų | 29.7 | 13% | 0.129 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 133.2 | 171.1 | -61.9 | 0 | 0 | 0 | 0 | 109.6 | T191 L238 K239 K248 | T138-T191 PolarHBondContact OG1-OG1 3.03Å; T138-L238 CarbonylContact O-C 3.32Å; T138-L238 WeakPolarHBondContact O-CA 3.42Å; T138-K239 PolarHBondContact N-O 2.99Å; T138-K239 PolarHBondContact O-N 2.94Å; T138-K248 PolarHBondContact OG1-NZ 2.7Å; T138-K248 VanDerWaalsContact OG1-NZ 3.08Å |
| 139 | C | 91.1 | Very high | 92.9 | Very high | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.014 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 121 | 172.6 | -57.8 | 0 | 0 | 0 | 0 | 110.1 | F186 T187 H189 D190 L238 | C139-F186 VanDerWaalsContact SG-CD2 3.6Å; C139-T187 VanDerWaalsContact CB-O 3.26Å; C139-T187 WeakPolarHBondContact CB-O 3.3Å; C139-H189 PolarHBondContact O-N 2.72Å; C139-D190 PolarHBondContact N-O 2.83Å; C139-L238 HydrophobicContact CB-CD2 4.03Å; C139-L238 VanDerWaalsContact SG-CD2 3.51Å |
| 140 | N | 81.1 | Confident | 93 | Very high | 63 Ų | 63 | 27.6 Ų | 27.6 | 34% | 0.337 | 14% | 0.14 | S | C | . | . | trans | -100 | -3 | -179 | -70.6 | -9.5 | 0 | 0 | 0 | 112.9 | E237 | N140-E237 HydrophobicContact CB-CB 4.2Å; N140-E237 HydrophobicContact CB-CG 4.06Å; N140-E237 WeakPolarHBondContact CB-OE1 3.49Å; N140-E237 PolarHBondContact N-O 2.85Å; N140-E237 PolarHBondContact ND2-OE1 2.88Å | ||
| 141 | D | 79.2 | Confident | 93.2 | Very high | 37 Ų | 37 | 21.6 Ų | 21.6 | 20% | 0.198 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -147 | 163.4 | -171.6 | -158.4 | -9 | 0 | 0 | 0 | 111.8 | R114 G143 M188 E237 | R114-D141 IonicContact CZ-OD2 2.72Å; R114-D141 IonicContact NH1-OD2 2.66Å; R114-D141 PolarHBondContact NH1-OD2 2.73Å; D141-G143 VanDerWaalsContact C-N 3.35Å; D141-M188 PolarHBondContact O-N 2.88Å; D141-E237 HydrophobicContact CB-CB 4.1Å |
| 142 | Q | 77.8 | Confident | 93 | Very high | 145 Ų | 145 | 23.3 Ų | 23.3 | 68% | 0.678 | 12% | 0.124 | S | C | * | . | S | Bend | trans | -85.6 | -4.4 | -176.7 | -62.9 | -173.8 | -7.3 | 0 | 0 | 114.1 | M188 | Q142-M188 HydrophobicContact CG-CB 4.09Å; Q142-M188 HydrophobicContact CG-SD 4.17Å |
| 143 | G | 78.6 | Confident | 92.8 | Very high | 17 Ų | 17 | 25.7 Ų | 25.7 | 18% | 0.175 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -64.7 | 174.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | D141 N235 | D141-G143 VanDerWaalsContact C-N 3.35Å; G143-N235 WeakPolarHBondContact CA-O 3.19Å |
| 144 | L | 90.3 | Very high | 92.5 | Very high | 77 Ų | 77 | 25.9 Ų | 25.9 | 40% | 0.403 | 14% | 0.139 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 134.4 | 179 | -63 | 176.4 | 0 | 0 | 0 | 110.6 | W119 T170 K234 | W119-L144 HydrophobicContact CH2-CB 3.61Å; W119-L144 HydrophobicContact CZ2-CB 4.2Å; W119-L144 HydrophobicContact CZ2-CD1 4.41Å; W119-L144 HydrophobicContact CZ3-CB 4.22Å; L144-T170 HydrophobicContact CD2-CG2 4.04Å; L144-K234 HydrophobicContact CB-CB 4.31Å; L144-K234 PolarHBondContact N-O 2.96Å; L144-K234 PolarHBondContact O-N 2.87Å |
| 145 | C | 95.5 | Very high | 92.2 | Very high | 6 Ų | 6 | 28.1 Ų | 28.1 | 4% | 0.041 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 158.8 | 175.7 | 63 | 0 | 0 | 0 | 0 | 111.8 | G168 G169 F186 V232 L233 A236 L238 | C145-G168 CarbonylContact O-C 3.14Å; C145-G168 VanDerWaalsContact O-CA 3.24Å; C145-G168 WeakPolarHBondContact O-CA 3.48Å; C145-G169 PolarHBondContact O-N 2.95Å; C145-F186 VanDerWaalsContact SG-CE2 3.54Å; C145-V232 CarbonylContact C-O 3.49Å; C145-V232 VanDerWaalsContact CA-O 3.27Å; C145-V232 WeakPolarHBondContact CA-O 3.25Å; C145-L233 HydrophobicContact CB-CD2 3.6Å; C145-A236 HydrophobicContact CB-CB 4.39Å; C145-L238 HydrophobicContact CB-CD1 4.05Å; C145-L238 HydrophobicContact CB-CD2 4.29Å; C145-L238 HydrophobicContact CB-CG 4.41Å |
| 146 | R | 97.6 | Very high | 92 | Very high | 13 Ų | 13 | 30 Ų | 30 | 5% | 0.049 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 139.9 | 160.1 | -68 | 163.2 | -81.8 | 175.8 | -1.2 | 109.4 | W119 D157 L158 F167 G168 C231 V232 | W119-R146 VanDerWaalsContact CD2-NH2 3.33Å; R146-D157 IonicContact CZ-OD1 3.86Å; R146-D157 IonicContact NH1-OD1 3.25Å; R146-D157 IonicContact NH2-OD1 2.97Å; R146-D157 PolarHBondContact NH2-OD1 3.42Å; R146-L158 HydrophobicContact CB-CD2 4.49Å; R146-L158 VanDerWaalsContact CZ-O 3.29Å; R146-L158 PolarHBondContact NH1-O 2.98Å; R146-F167 CarbonylContact C-O 3.53Å; R146-F167 VanDerWaalsContact CA-O 3.23Å; R146-F167 WeakPolarHBondContact CA-O 3.44Å; R146-G168 VanDerWaalsContact CG-CA 3.43Å; R146-C231 CarbonylContact O-C 3.46Å; R146-C231 WeakPolarHBondContact O-CA 3.41Å; R146-C231 VanDerWaalsContact O-CB 3.24Å; R146-C231 WeakPolarHBondContact O-CB 3.34Å; R146-V232 HydrophobicContact CB-CG1 3.79Å; R146-V232 HydrophobicContact CG-CG1 4.43Å; R146-V232 PolarHBondContact N-O 3.34Å; R146-V232 PolarHBondContact O-N 3.14Å |
| 147 | V | 98.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 153.5 | 176.7 | -62.6 | 0 | 0 | 0 | 0 | 110.2 | V137 G166 F167 F186 I192 C231 L238 | V137-V147 HydrophobicContact CB-CG1 4.18Å; V137-V147 HydrophobicContact CG1-CG1 3.97Å; V137-V147 HydrophobicContact CG2-CB 4.34Å; V137-V147 HydrophobicContact CG2-CG1 4.08Å; V147-G166 CarbonylContact O-C 3.47Å; V147-G166 WeakPolarHBondContact O-CA 3.2Å; V147-F167 PolarHBondContact N-O 2.79Å; V147-F167 PolarHBondContact O-N 3.09Å; V147-F186 HydrophobicContact CG2-CZ 4.45Å; V147-I192 HydrophobicContact CG2-CB 4.19Å; V147-I192 HydrophobicContact CG2-CG2 3.75Å; V147-C231 HydrophobicContact CG1-CB 4.13Å; V147-L238 HydrophobicContact CG1-CD1 3.48Å; V147-L238 VanDerWaalsContact CG1-CD1 3.48Å |
| 148 | G | 98 | Very high | 91.7 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 154.1 | -145.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y135 F165 S230 | Y135-G148 WeakPolarHBondContact OH-CA 3.43Å; Y135-G148 PolarHBondContact OH-N 3.01Å; Y135-G148 PolarHBondContact OH-O 3.12Å; G148-F165 WeakPolarHBondContact CA-O 3.27Å; G148-S230 PolarHBondContact N-O 3.08Å; G148-S230 WeakPolarHBondContact O-CA 3.31Å; G148-S230 PolarHBondContact O-N 3.39Å; G148-S230 VanDerWaalsContact O-O 3.14Å |
| 149 | W | 98.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 143.3 | -167.3 | -57 | 93.5 | 0 | 0 | 0 | 111.3 | V128 Y135 F165 C194 Y195 L196 I203 F227 F228 L258 | V128-W149 HydrophobicContact CG2-CZ3 4.33Å; Y135-W149 AromaticContact CD1-CH2 3.56Å; Y135-W149 HydrophobicContact CD1-CH2 3.56Å; Y135-W149 AromaticContact CD1-CZ2 3.5Å; Y135-W149 HydrophobicContact CD1-CZ2 3.5Å; Y135-W149 VanDerWaalsContact CD1-CZ2 3.5Å; Y135-W149 HydrophobicContact CD1-CZ3 4.27Å; Y135-W149 HydrophobicContact CE1-CD2 4.04Å; Y135-W149 AromaticContact CE1-CE2 3.57Å; Y135-W149 HydrophobicContact CE1-CE3 4.21Å; Y135-W149 AromaticContact CE1-CH2 3.62Å; Y135-W149 HydrophobicContact CE1-CH2 3.62Å; Y135-W149 AromaticContact CE1-CZ2 3.36Å; Y135-W149 HydrophobicContact CE1-CZ2 3.36Å; Y135-W149 HydrophobicContact CE1-CZ3 4.02Å; W149-F165 PolarHBondContact N-O 3.17Å; W149-F165 PolarHBondContact O-N 3.38Å; W149-C194 HydrophobicContact CZ2-CB 4.48Å; W149-Y195 PolarHBondContact NE1-O 3.28Å; W149-L196 HydrophobicContact CD2-CB 3.97Å; W149-L196 HydrophobicContact CD2-CD1 4.48Å; W149-L196 HydrophobicContact CD2-CD2 3.99Å; W149-L196 HydrophobicContact CD2-CG 4.38Å; W149-L196 VanDerWaalsContact CE2-CB 3.47Å; W149-L196 HydrophobicContact CE3-CB 4.41Å; W149-L196 HydrophobicContact CE3-CD2 3.73Å; W149-L196 HydrophobicContact CG-CD1 4.42Å; W149-L196 HydrophobicContact CH2-CB 3.88Å; W149-L196 HydrophobicContact CH2-CD2 4.07Å; W149-L196 HydrophobicContact CZ2-CB 3.42Å; W149-L196 VanDerWaalsContact CZ2-CB 3.42Å; W149-L196 HydrophobicContact CZ2-CD2 4.35Å; W149-L196 HydrophobicContact CZ2-CG 4.49Å; W149-L196 HydrophobicContact CZ3-CB 4.36Å; W149-L196 HydrophobicContact CZ3-CD2 3.77Å; W149-I203 HydrophobicContact CB-CD1 4.17Å; W149-F227 HydrophobicContact CB-CD1 4.01Å; W149-F227 HydrophobicContact CE3-CB 4.32Å; W149-F228 WeakPolarHBondContact CA-O 3.19Å; W149-L258 HydrophobicContact CH2-CD1 3.6Å; W149-L258 HydrophobicContact CH2-CD2 3.83Å; W149-L258 HydrophobicContact CH2-CG 3.85Å; W149-L258 HydrophobicContact CZ3-CD1 3.82Å; W149-L258 HydrophobicContact CZ3-CD2 3.98Å; W149-L258 HydrophobicContact CZ3-CG 4.33Å |
| 150 | S | 97.6 | Very high | 91.6 | Very high | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.014 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 155.5 | 173.1 | 75.4 | 0 | 0 | 0 | 0 | 112.3 | R123 Y163 F228 S230 | R123-S150 VanDerWaalsContact CD-OG 3.22Å; R123-S150 WeakPolarHBondContact CD-OG 3.45Å; S150-Y163 WeakPolarHBondContact CA-O 3.32Å; S150-F228 PolarHBondContact N-O 3.26Å; S150-F228 PolarHBondContact O-N 2.85Å; S150-S230 WeakPolarHBondContact CB-OG 3.21Å; S150-S230 PolarHBondContact N-OG 3.07Å; S150-S230 PolarHBondContact OG-OG 3.36Å |
| 151 | T | 96.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 168.7 | 169.2 | 75.4 | 0 | 0 | 0 | 0 | 110.9 | R123 Q153 A154 Y163 Q225 G226 F227 | R123-T151 PolarHBondContact NH1-O 2.76Å; T151-Q153 PolarHBondContact O-N 2.88Å; T151-Q153 VanDerWaalsContact O-N 3.1Å; T151-Q153 PolarHBondContact OG1-N 2.89Å; T151-A154 WeakPolarHBondContact O-CB 3.42Å; T151-A154 PolarHBondContact O-N 2.84Å; T151-A154 VanDerWaalsContact O-N 3.11Å; T151-Y163 PolarHBondContact N-O 2.84Å; T151-Y163 WeakPolarHBondContact OG1-CB 3.27Å; T151-Q225 HydrophobicContact CG2-CB 3.89Å; T151-G226 WeakPolarHBondContact CA-O 3.4Å; T151-F227 HydrophobicContact CG2-CD1 4.47Å; T151-F227 HydrophobicContact CG2-CE1 4.13Å; T151-F227 HydrophobicContact CG2-CE2 4.32Å; T151-F227 HydrophobicContact CG2-CZ 4.03Å |
| 152 | S | 91.4 | Very high | 93 | Very high | 44 Ų | 44 | 34 Ų | 34 | 31% | 0.308 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -15.2 | 175.9 | 58 | 0 | 0 | 0 | 0 | 114.3 | R123 | R123-S152 PolarHBondContact NH1-O 3.03Š|
| 153 | Q | 90.8 | Very high | 93.9 | Very high | 104 Ų | 104 | 29.6 Ų | 29.6 | 49% | 0.486 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -13.5 | 177.8 | -61.5 | -179.7 | 15.4 | 0 | 0 | 113.3 | T151 Y163 | T151-Q153 PolarHBondContact O-N 2.88Å; T151-Q153 VanDerWaalsContact O-N 3.1Å; T151-Q153 PolarHBondContact OG1-N 2.89Å; Q153-Y163 HydrophobicContact CB-CD1 4.12Å; Q153-Y163 HydrophobicContact CB-CD2 4.15Å; Q153-Y163 HydrophobicContact CB-CE1 4.25Å; Q153-Y163 HydrophobicContact CB-CE2 4.31Å; Q153-Y163 HydrophobicContact CB-CG 4.05Å; Q153-Y163 VanDerWaalsContact OE1-CZ 3.22Å; Q153-Y163 PolarHBondContact OE1-OH 2.82Å |
| 154 | A | 92.8 | Very high | 94.8 | Very high | 7 Ų | 7 | 28.8 Ų | 28.8 | 6% | 0.058 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -66.9 | 147.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | R123 T151 D161 | R123-A154 PolarHBondContact NH1-O 2.82Å; T151-A154 WeakPolarHBondContact O-CB 3.42Å; T151-A154 PolarHBondContact O-N 2.84Å; T151-A154 VanDerWaalsContact O-N 3.11Å; A154-D161 WeakPolarHBondContact CA-OD2 3.27Å |
| 155 | A | 91.1 | Very high | 95.1 | Very high | 48 Ų | 48 | 25.2 Ų | 25.2 | 40% | 0.397 | 13% | 0.134 | S | C | . | . | trans | -65.7 | 152.1 | 163.3 | 0 | 0 | 0 | 0 | 0 | 110 | D157 D161 | A155-D157 PolarHBondContact O-N 2.88Å; A155-D161 VanDerWaalsContact CB-OD2 3.28Å; A155-D161 WeakPolarHBondContact CB-OD2 3.37Å; A155-D161 PolarHBondContact N-OD2 2.85Å | ||
| 156 | L | 93.3 | Very high | 95.2 | Very high | 40 Ų | 40 | 25 Ų | 25 | 21% | 0.209 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -79.2 | 26.5 | 176 | -61.5 | 176.7 | 0 | 0 | 0 | 112.8 | R98 S99 G121 R123 | R98-L156 VanDerWaalsContact C-CD1 3.42Å; S99-L156 WeakPolarHBondContact OG-CB 3.42Å; G121-L156 WeakPolarHBondContact CA-O 3.08Å; G121-L156 PolarHBondContact N-O 2.91Å; G121-L156 VanDerWaalsContact N-O 3.11Å; R123-L156 HydrophobicContact CG-CD2 3.9Å |
| 157 | D | 93.8 | Very high | 95.3 | Very high | 46 Ų | 46 | 24.3 Ų | 24.3 | 25% | 0.246 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -122.5 | 83.5 | 168.6 | -175 | -4.8 | 0 | 0 | 0 | 107.6 | R146 A155 G159 T160 | R146-D157 IonicContact CZ-OD1 3.86Å; R146-D157 IonicContact NH1-OD1 3.25Å; R146-D157 IonicContact NH2-OD1 2.97Å; R146-D157 PolarHBondContact NH2-OD1 3.42Å; A155-D157 PolarHBondContact O-N 2.88Å; D157-G159 PolarHBondContact O-N 3.47Å; D157-T160 HydrophobicContact CB-CG2 4.18Å; D157-T160 VanDerWaalsContact CG-CG2 3.42Å; D157-T160 WeakPolarHBondContact O-CB 3.49Å; D157-T160 WeakPolarHBondContact O-CG2 3.42Å; D157-T160 PolarHBondContact O-N 2.99Å; D157-T160 VanDerWaalsContact O-N 3.16Å; D157-T160 PolarHBondContact O-OG1 2.91Å; D157-T160 WeakPolarHBondContact OD1-CG2 2.61Å; D157-T160 WeakPolarHBondContact OD2-CG2 3.28Å |
| 158 | L | 97 | Very high | 95.1 | Very high | 4 Ų | 4 | 24.4 Ų | 24.4 | 2% | 0.021 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 127.7 | -166.6 | -177 | 65.4 | 0 | 0 | 0 | 112.5 | R146 V232 | R146-L158 HydrophobicContact CB-CD2 4.49Å; R146-L158 VanDerWaalsContact CZ-O 3.29Å; R146-L158 PolarHBondContact NH1-O 2.98Å; L158-V232 HydrophobicContact CB-CB 4.28Å; L158-V232 HydrophobicContact CB-CG1 3.93Å |
| 159 | G | 92.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90.8 | -1.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | D157 S174 N175 N176 K177 | D157-G159 PolarHBondContact O-N 3.47Å; G159-S174 WeakPolarHBondContact CA-O 3.24Å; G159-N175 CarbonylContact O-C 3.28Å; G159-N175 VanDerWaalsContact O-C 3.25Å; G159-N175 WeakPolarHBondContact O-CA 3.44Å; G159-N175 PolarHBondContact O-N 2.69Å; G159-N176 PolarHBondContact O-N 2.93Å; G159-N176 VanDerWaalsContact O-N 3.17Å; G159-K177 PolarHBondContact O-N 2.93Å |
| 160 | T | 93.4 | Very high | 94.5 | Very high | 26 Ų | 26 | 28.1 Ų | 28.1 | 16% | 0.16 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -92.2 | 0.5 | 179.4 | 66 | 0 | 0 | 0 | 0 | 114.6 | D157 K177 | D157-T160 HydrophobicContact CB-CG2 4.18Å; D157-T160 VanDerWaalsContact CG-CG2 3.42Å; D157-T160 WeakPolarHBondContact O-CB 3.49Å; D157-T160 WeakPolarHBondContact O-CG2 3.42Å; D157-T160 PolarHBondContact O-N 2.99Å; D157-T160 VanDerWaalsContact O-N 3.16Å; D157-T160 PolarHBondContact O-OG1 2.91Å; D157-T160 WeakPolarHBondContact OD1-CG2 2.61Å; D157-T160 WeakPolarHBondContact OD2-CG2 3.28Å; T160-K177 VanDerWaalsContact O-CE 3.32Å; T160-K177 WeakPolarHBondContact O-CE 3.49Å; T160-K177 WeakPolarHBondContact O-CG 3.32Å |
| 161 | D | 93.8 | Very high | 94.3 | Very high | 27 Ų | 27 | 28.1 Ų | 28.1 | 14% | 0.144 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -138.8 | 174.2 | 172.1 | 64.3 | 47.9 | 0 | 0 | 0 | 110.7 | A154 A155 Y163 G164 N175 N176 | A154-D161 WeakPolarHBondContact CA-OD2 3.27Å; A155-D161 VanDerWaalsContact CB-OD2 3.28Å; A155-D161 WeakPolarHBondContact CB-OD2 3.37Å; A155-D161 PolarHBondContact N-OD2 2.85Å; D161-Y163 PolarHBondContact O-N 3.44Å; D161-Y163 VanDerWaalsContact OD1-CA 3.3Å; D161-Y163 WeakPolarHBondContact OD1-CA 3.35Å; D161-Y163 WeakPolarHBondContact OD1-CB 3.45Å; D161-Y163 PolarHBondContact OD1-N 3.3Å; D161-G164 PolarHBondContact OD1-N 2.96Å; D161-N175 PolarHBondContact O-ND2 2.82Å; D161-N176 VanDerWaalsContact C-CA 3.48Å; D161-N176 WeakPolarHBondContact O-CA 3.45Å; D161-N176 PolarHBondContact O-N 3.08Å |
| 162 | K | 95.1 | Very high | 94.3 | Very high | 108 Ų | 108 | 32.2 Ų | 32.2 | 47% | 0.47 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -6.5 | -178.8 | 65.6 | 179.9 | -178.6 | 178.2 | 0 | 114.9 | N176 | K162-N176 HydrophobicContact CB-CB 4.4Š|
| 163 | Y | 96.8 | Very high | 94.6 | Very high | 52 Ų | 52 | 32.4 Ų | 32.4 | 20% | 0.204 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | -10.3 | -173.5 | -58.7 | -71.1 | 0 | 0 | 0 | 113.4 | S150 T151 Q153 D161 L222 | S150-Y163 WeakPolarHBondContact CA-O 3.32Å; T151-Y163 PolarHBondContact N-O 2.84Å; T151-Y163 WeakPolarHBondContact OG1-CB 3.27Å; Q153-Y163 HydrophobicContact CB-CD1 4.12Å; Q153-Y163 HydrophobicContact CB-CD2 4.15Å; Q153-Y163 HydrophobicContact CB-CE1 4.25Å; Q153-Y163 HydrophobicContact CB-CE2 4.31Å; Q153-Y163 HydrophobicContact CB-CG 4.05Å; Q153-Y163 VanDerWaalsContact OE1-CZ 3.22Å; Q153-Y163 PolarHBondContact OE1-OH 2.82Å; D161-Y163 PolarHBondContact O-N 3.44Å; D161-Y163 VanDerWaalsContact OD1-CA 3.3Å; D161-Y163 WeakPolarHBondContact OD1-CA 3.35Å; D161-Y163 WeakPolarHBondContact OD1-CB 3.45Å; D161-Y163 PolarHBondContact OD1-N 3.3Å; Y163-L222 HydrophobicContact CD1-CD1 4.46Å; Y163-L222 HydrophobicContact CD1-CD2 3.83Å; Y163-L222 HydrophobicContact CE1-CD2 3.95Å |
| 164 | G | 96.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 135.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | D161 N175 | D161-G164 PolarHBondContact OD1-N 2.96Å; G164-N175 PolarHBondContact O-ND2 3.16Å |
| 165 | F | 98.1 | Very high | 95.1 | Very high | 3 Ų | 3 | 28.9 Ų | 28.9 | 1% | 0.013 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 103.9 | -176.2 | -57.5 | -88.7 | 0 | 0 | 0 | 108.8 | G148 W149 N175 I203 F216 L222 F227 | G148-F165 WeakPolarHBondContact CA-O 3.27Å; W149-F165 PolarHBondContact N-O 3.17Å; W149-F165 PolarHBondContact O-N 3.38Å; F165-N175 HydrophobicContact CD1-CB 4.22Å; F165-N175 WeakPolarHBondContact CE1-ND2 3.29Å; F165-I203 HydrophobicContact CB-CD1 3.65Å; F165-I203 HydrophobicContact CD1-CD1 4.18Å; F165-I203 HydrophobicContact CD2-CD1 3.74Å; F165-I203 HydrophobicContact CE2-CD1 4.45Å; F165-I203 HydrophobicContact CG-CD1 3.59Å; F165-F216 HydrophobicContact CB-CD2 3.85Å; F165-F216 HydrophobicContact CB-CE2 3.84Å; F165-F216 HydrophobicContact CB-CG 4.37Å; F165-F216 HydrophobicContact CB-CZ 4.37Å; F165-F216 HydrophobicContact CD1-CB 3.88Å; F165-F216 AromaticContact CD1-CD1 3.87Å; F165-F216 HydrophobicContact CD1-CD1 3.87Å; F165-F216 HydrophobicContact CD1-CD2 4.03Å; F165-F216 HydrophobicContact CD1-CE1 4.36Å; F165-F216 HydrophobicContact CD1-CE2 4.49Å; F165-F216 AromaticContact CD1-CG 3.67Å; F165-F216 HydrophobicContact CD1-CG 3.67Å; F165-F216 HydrophobicContact CE1-CB 4.33Å; F165-F216 HydrophobicContact CE1-CG 4.49Å; F165-F216 HydrophobicContact CG-CD2 4.38Å; F165-F216 HydrophobicContact CG-CG 4.45Å; F165-L222 HydrophobicContact CE2-CD1 4.3Å; F165-L222 HydrophobicContact CZ-CD1 4.11Å; F165-F227 AromaticContact CD2-CE1 3.99Å; F165-F227 HydrophobicContact CD2-CE1 3.99Å; F165-F227 AromaticContact CE2-CE1 3.76Å; F165-F227 HydrophobicContact CE2-CE1 3.76Å; F165-F227 HydrophobicContact CE2-CZ 4.34Å |
| 166 | G | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 143.9 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | V147 K173 S174 | V147-G166 CarbonylContact O-C 3.47Å; V147-G166 WeakPolarHBondContact O-CA 3.2Å; G166-K173 CarbonylContact O-C 3.59Å; G166-K173 WeakPolarHBondContact O-CA 3.48Å; G166-S174 PolarHBondContact N-O 3.45Å; G166-S174 PolarHBondContact O-N 3.2Å; G166-S174 PolarHBondContact O-OG 3.38Å; G166-S174 VanDerWaalsContact O-OG 3.08Å |
| 167 | F | 98.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 125.9 | 165.8 | 176.9 | -132.2 | 0 | 0 | 0 | 109.2 | R146 V147 K172 Y182 F186 I192 F205 L212 | R146-F167 CarbonylContact C-O 3.53Å; R146-F167 VanDerWaalsContact CA-O 3.23Å; R146-F167 WeakPolarHBondContact CA-O 3.44Å; V147-F167 PolarHBondContact N-O 2.79Å; V147-F167 PolarHBondContact O-N 3.09Å; F167-K172 WeakPolarHBondContact CD2-O 3.26Å; F167-Y182 AromaticContact CD2-CD1 3.72Å; F167-Y182 HydrophobicContact CD2-CD1 3.72Å; F167-Y182 HydrophobicContact CD2-CE1 4.24Å; F167-Y182 AromaticContact CE2-CD1 3.77Å; F167-Y182 HydrophobicContact CE2-CD1 3.77Å; F167-Y182 HydrophobicContact CE2-CE1 4.36Å; F167-Y182 HydrophobicContact CG-CD1 4.4Å; F167-Y182 HydrophobicContact CZ-CD1 4.48Å; F167-F186 HydrophobicContact CD1-CD1 4.24Å; F167-F186 AromaticContact CD1-CE1 3.58Å; F167-F186 HydrophobicContact CD1-CE1 3.58Å; F167-F186 HydrophobicContact CD1-CZ 4.42Å; F167-F186 AromaticContact CE1-CD1 3.6Å; F167-F186 HydrophobicContact CE1-CD1 3.6Å; F167-F186 AromaticContact CE1-CE1 3.42Å; F167-F186 HydrophobicContact CE1-CE1 3.42Å; F167-F186 VanDerWaalsContact CE1-CE1 3.42Å; F167-F186 HydrophobicContact CE2-CE1 4.37Å; F167-F186 HydrophobicContact CG-CE1 4.14Å; F167-F186 AromaticContact CZ-CD1 3.82Å; F167-F186 HydrophobicContact CZ-CD1 3.82Å; F167-F186 AromaticContact CZ-CE1 3.84Å; F167-F186 HydrophobicContact CZ-CE1 3.84Å; F167-I192 HydrophobicContact CD1-CG2 4.08Å; F167-I192 HydrophobicContact CE1-CD1 4.35Å; F167-I192 HydrophobicContact CE1-CG2 4.47Å; F167-F205 HydrophobicContact CB-CD1 3.89Å; F167-F205 HydrophobicContact CB-CD2 3.71Å; F167-F205 HydrophobicContact CB-CE1 3.85Å; F167-F205 HydrophobicContact CB-CE2 3.69Å; F167-F205 HydrophobicContact CB-CG 3.81Å; F167-F205 HydrophobicContact CB-CZ 3.76Å; F167-F205 HydrophobicContact CD1-CB 3.88Å; F167-F205 HydrophobicContact CD1-CD1 4.22Å; F167-F205 HydrophobicContact CD1-CD2 4.43Å; F167-F205 AromaticContact CD1-CG 3.93Å; F167-F205 HydrophobicContact CD1-CG 3.93Å; F167-F205 HydrophobicContact CE1-CB 4.41Å; F167-F205 HydrophobicContact CG-CB 4.44Å; F167-F205 HydrophobicContact CG-CD1 4.47Å; F167-F205 HydrophobicContact CG-CD2 4.17Å; F167-F205 HydrophobicContact CG-CG 4.11Å; F167-L212 HydrophobicContact CD1-CD1 4.48Å; F167-L212 HydrophobicContact CE1-CD1 3.57Å; F167-L212 HydrophobicContact CE2-CD1 4.49Å; F167-L212 HydrophobicContact CZ-CD1 3.59Å |
| 168 | G | 95.4 | Very high | 95.1 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 155.5 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | C145 R146 T170 G171 K172 F186 | C145-G168 CarbonylContact O-C 3.14Å; C145-G168 VanDerWaalsContact O-CA 3.24Å; C145-G168 WeakPolarHBondContact O-CA 3.48Å; R146-G168 VanDerWaalsContact CG-CA 3.43Å; G168-T170 PolarHBondContact O-N 2.8Å; G168-G171 PolarHBondContact O-N 2.69Å; G168-K172 PolarHBondContact N-O 3.34Å; G168-F186 VanDerWaalsContact C-CZ 3.49Å; G168-F186 WeakPolarHBondContact O-CE1 3.46Å |
| 169 | G | 91.6 | Very high | 95 | Very high | 11 Ų | 11 | 44 Ų | 44 | 11% | 0.113 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -15.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | C145 G171 E185 F186 | C145-G169 PolarHBondContact O-N 2.95Å; G169-G171 VanDerWaalsContact C-N 3.27Å; G169-G171 PolarHBondContact O-N 2.76Å; G169-E185 CarbonylContact O-C 3.52Å; G169-E185 WeakPolarHBondContact O-CA 3.3Å; G169-E185 VanDerWaalsContact O-CB 3.3Å; G169-E185 WeakPolarHBondContact O-CB 3.36Å; G169-F186 VanDerWaalsContact CA-O 3.29Å; G169-F186 WeakPolarHBondContact CA-O 3.29Å; G169-F186 PolarHBondContact O-N 3.11Å |
| 170 | T | 91.9 | Very high | 95.1 | Very high | 67 Ų | 67 | 47.8 Ų | 47.8 | 41% | 0.411 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 14.5 | 173 | 56.6 | 0 | 0 | 0 | 0 | 113.8 | L144 G168 K172 | L144-T170 HydrophobicContact CD2-CG2 4.04Å; G168-T170 PolarHBondContact O-N 2.8Å; T170-K172 PolarHBondContact O-N 2.61Å |
| 171 | G | 93.8 | Very high | 95.2 | Very high | 3 Ų | 3 | 51.6 Ų | 51.6 | 3% | 0.031 | 26% | 0.26 | C | S | . | . | S | Bend | trans | 73.9 | 10.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | G168 G169 Y182 G183 E184 | G168-G171 PolarHBondContact O-N 2.69Å; G169-G171 VanDerWaalsContact C-N 3.27Å; G169-G171 PolarHBondContact O-N 2.76Å; G171-Y182 PolarHBondContact O-N 3.3Å; G171-Y182 VanDerWaalsContact O-N 3.13Å; G171-G183 WeakPolarHBondContact CA-O 2.83Å; G171-G183 PolarHBondContact O-N 3.21Å; G171-G183 VanDerWaalsContact O-N 3.1Å; G171-G183 VanDerWaalsContact O-O 3.05Å; G171-E184 WeakPolarHBondContact CA-O 3.12Å |
| 172 | K | 96.3 | Very high | 95.3 | Very high | 86 Ų | 86 | 52.4 Ų | 52.4 | 37% | 0.374 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 139.1 | -177 | -63.6 | -173.5 | -177.2 | -175.7 | 0 | 112.4 | F167 G168 T170 F179 D180 | F167-K172 WeakPolarHBondContact CD2-O 3.26Å; G168-K172 PolarHBondContact N-O 3.34Å; T170-K172 PolarHBondContact O-N 2.61Å; K172-F179 HydrophobicContact CD-CB 4.16Å; K172-D180 CarbonylContact C-O 3.41Å; K172-D180 WeakPolarHBondContact CA-O 3.35Å; K172-D180 WeakPolarHBondContact CB-O 3.47Å |
| 173 | K | 97 | Very high | 95.1 | Very high | 47 Ų | 47 | 48.5 Ų | 48.5 | 20% | 0.204 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 147.5 | 164.1 | 72.4 | 177.3 | 179.5 | 179 | 0 | 109.5 | G166 F179 D180 Y182 A215 F216 | G166-K173 CarbonylContact O-C 3.59Å; G166-K173 WeakPolarHBondContact O-CA 3.48Å; K173-F179 WeakPolarHBondContact O-CA 3.06Å; K173-D180 HydrophobicContact CG-CB 4.14Å; K173-D180 PolarHBondContact N-O 2.73Å; K173-D180 PolarHBondContact O-N 2.99Å; K173-Y182 HydrophobicContact CB-CD1 4.19Å; K173-Y182 HydrophobicContact CB-CG 4.04Å; K173-Y182 HydrophobicContact CD-CD2 4.17Å; K173-Y182 HydrophobicContact CD-CG 4.05Å; K173-Y182 HydrophobicContact CG-CG 4.3Å; K173-A215 HydrophobicContact CD-CB 4.43Å; K173-A215 VanDerWaalsContact CD-O 3.25Å; K173-A215 WeakPolarHBondContact CD-O 3.47Å; K173-A215 PolarHBondContact NZ-O 3.26Å; K173-F216 HydrophobicContact CB-CE1 4.17Å; K173-F216 HydrophobicContact CB-CE2 4.21Å; K173-F216 HydrophobicContact CB-CZ 3.62Å; K173-F216 HydrophobicContact CD-CD1 4.48Å; K173-F216 HydrophobicContact CD-CE1 4.03Å; K173-F216 HydrophobicContact CD-CZ 4.23Å; K173-F216 HydrophobicContact CG-CE1 4.16Å; K173-F216 HydrophobicContact CG-CZ 4.14Å |
| 174 | S | 97 | Very high | 94.8 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.007 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 129.3 | -174.6 | 57.6 | 0 | 0 | 0 | 0 | 113.4 | G159 G166 Q178 F216 | G159-S174 WeakPolarHBondContact CA-O 3.24Å; G166-S174 PolarHBondContact N-O 3.45Å; G166-S174 PolarHBondContact O-N 3.2Å; G166-S174 PolarHBondContact O-OG 3.38Å; G166-S174 VanDerWaalsContact O-OG 3.08Å; S174-Q178 WeakPolarHBondContact CA-O 3.41Å; S174-F216 WeakPolarHBondContact O-CZ 3.14Å |
| 175 | N | 97.1 | Very high | 94.6 | Very high | 37 Ų | 37 | 58.5 Ų | 58.5 | 20% | 0.198 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 139.8 | 171.2 | 178.9 | -108 | 0 | 0 | 0 | 108.6 | G159 D161 G164 F165 K177 Q178 F216 | G159-N175 CarbonylContact O-C 3.28Å; G159-N175 VanDerWaalsContact O-C 3.25Å; G159-N175 WeakPolarHBondContact O-CA 3.44Å; G159-N175 PolarHBondContact O-N 2.69Å; D161-N175 PolarHBondContact O-ND2 2.82Å; G164-N175 PolarHBondContact O-ND2 3.16Å; F165-N175 HydrophobicContact CD1-CB 4.22Å; F165-N175 WeakPolarHBondContact CE1-ND2 3.29Å; N175-K177 VanDerWaalsContact C-N 3.26Å; N175-K177 PolarHBondContact O-N 2.78Å; N175-Q178 PolarHBondContact N-O 2.94Å; N175-Q178 WeakPolarHBondContact O-CB 3.45Å; N175-Q178 PolarHBondContact O-N 3.36Å; N175-F216 HydrophobicContact CB-CD1 4.26Å; N175-F216 HydrophobicContact CB-CE1 3.75Å; N175-F216 HydrophobicContact CB-CZ 4.45Å |
| 176 | N | 95 | Very high | 94.4 | Very high | 87 Ų | 87 | 58.8 Ų | 58.8 | 47% | 0.465 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 39.3 | 177.9 | -162.6 | 39.6 | 0 | 0 | 0 | 114.8 | G159 D161 K162 Q178 | G159-N176 PolarHBondContact O-N 2.93Å; G159-N176 VanDerWaalsContact O-N 3.17Å; D161-N176 VanDerWaalsContact C-CA 3.48Å; D161-N176 WeakPolarHBondContact O-CA 3.45Å; D161-N176 PolarHBondContact O-N 3.08Å; K162-N176 HydrophobicContact CB-CB 4.4Å; N176-Q178 PolarHBondContact O-N 2.82Å |
| 177 | K | 90.8 | Very high | 94 | Very high | 152 Ų | 152 | 61.9 Ų | 61.9 | 66% | 0.661 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.5 | 12.7 | -175.7 | -49 | -174.1 | 177.4 | 177.8 | 0 | 115 | G159 T160 N175 F179 | G159-K177 PolarHBondContact O-N 2.93Å; T160-K177 VanDerWaalsContact O-CE 3.32Å; T160-K177 WeakPolarHBondContact O-CE 3.49Å; T160-K177 WeakPolarHBondContact O-CG 3.32Å; N175-K177 VanDerWaalsContact C-N 3.26Å; N175-K177 PolarHBondContact O-N 2.78Å; K177-F179 WeakPolarHBondContact O-CD2 3.3Å; K177-F179 WeakPolarHBondContact O-CE2 3.47Å |
| 178 | Q | 93 | Very high | 93.4 | Very high | 121 Ų | 121 | 65 Ų | 65 | 57% | 0.565 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 136.6 | 168.1 | -63.1 | -178.3 | -14.7 | 0 | 0 | 108.7 | S174 N175 N176 | S174-Q178 WeakPolarHBondContact CA-O 3.41Å; N175-Q178 PolarHBondContact N-O 2.94Å; N175-Q178 WeakPolarHBondContact O-CB 3.45Å; N175-Q178 PolarHBondContact O-N 3.36Å; N176-Q178 PolarHBondContact O-N 2.82Å |
| 179 | F | 94.8 | Very high | 93 | Very high | 94 Ų | 94 | 71.6 Ų | 71.6 | 41% | 0.412 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 92.9 | -175.1 | -65.7 | -91.8 | 0 | 0 | 0 | 109.4 | K172 K173 K177 | K172-F179 HydrophobicContact CD-CB 4.16Å; K173-F179 WeakPolarHBondContact O-CA 3.06Å; K177-F179 WeakPolarHBondContact O-CD2 3.3Å; K177-F179 WeakPolarHBondContact O-CE2 3.47Å |
| 180 | D | 94.2 | Very high | 93.2 | Very high | 80 Ų | 80 | 72.2 Ų | 72.2 | 43% | 0.428 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 143.1 | -174.3 | -56.5 | -48 | 0 | 0 | 0 | 110.7 | K172 K173 Y182 | K172-D180 CarbonylContact C-O 3.41Å; K172-D180 WeakPolarHBondContact CA-O 3.35Å; K172-D180 WeakPolarHBondContact CB-O 3.47Å; K173-D180 HydrophobicContact CG-CB 4.14Å; K173-D180 PolarHBondContact N-O 2.73Å; K173-D180 PolarHBondContact O-N 2.99Å; D180-Y182 PolarHBondContact O-N 2.9Å |
| 181 | S | 95.7 | Very high | 93.4 | Very high | 107 Ų | 107 | 69.2 Ų | 69.2 | 75% | 0.748 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60 | 134.1 | 169.3 | -58.3 | 0 | 0 | 0 | 0 | 109.7 | ||
| 182 | Y | 95.1 | Very high | 93.7 | Very high | 43 Ų | 43 | 69 Ų | 69 | 17% | 0.169 | 35% | 0.347 | C | S | . | . | trans | -141.1 | -52 | -176.2 | 164.6 | -112.3 | 0 | 0 | 0 | 112.3 | F167 G171 K173 D180 F205 L212 G213 S214 A215 | F167-Y182 AromaticContact CD2-CD1 3.72Å; F167-Y182 HydrophobicContact CD2-CD1 3.72Å; F167-Y182 HydrophobicContact CD2-CE1 4.24Å; F167-Y182 AromaticContact CE2-CD1 3.77Å; F167-Y182 HydrophobicContact CE2-CD1 3.77Å; F167-Y182 HydrophobicContact CE2-CE1 4.36Å; F167-Y182 HydrophobicContact CG-CD1 4.4Å; F167-Y182 HydrophobicContact CZ-CD1 4.48Å; G171-Y182 PolarHBondContact O-N 3.3Å; G171-Y182 VanDerWaalsContact O-N 3.13Å; K173-Y182 HydrophobicContact CB-CD1 4.19Å; K173-Y182 HydrophobicContact CB-CG 4.04Å; K173-Y182 HydrophobicContact CD-CD2 4.17Å; K173-Y182 HydrophobicContact CD-CG 4.05Å; K173-Y182 HydrophobicContact CG-CG 4.3Å; D180-Y182 PolarHBondContact O-N 2.9Å; Y182-F205 HydrophobicContact CE1-CB 4.18Å; Y182-F205 AromaticContact CE1-CD2 3.81Å; Y182-F205 HydrophobicContact CE1-CD2 3.81Å; Y182-F205 HydrophobicContact CE1-CG 4.45Å; Y182-F205 PolarHBondContact OH-N 2.88Å; Y182-L212 HydrophobicContact CE1-CB 3.82Å; Y182-L212 HydrophobicContact CE1-CD1 4.15Å; Y182-L212 HydrophobicContact CE2-CB 4.4Å; Y182-L212 WeakPolarHBondContact CE2-O 3.2Å; Y182-G213 PolarHBondContact OH-O 2.78Å; Y182-S214 WeakPolarHBondContact CE2-O 3.35Å; Y182-A215 HydrophobicContact CD1-CB 4.46Å; Y182-A215 HydrophobicContact CD2-CB 4.31Å; Y182-A215 HydrophobicContact CE1-CB 3.95Å; Y182-A215 HydrophobicContact CE2-CB 3.78Å | ||
| 183 | G | 91.6 | Very high | 93.7 | Very high | 26 Ų | 26 | 65 Ų | 65 | 27% | 0.268 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -133.5 | -166.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | G171 | G171-G183 WeakPolarHBondContact CA-O 2.83Å; G171-G183 PolarHBondContact O-N 3.21Å; G171-G183 VanDerWaalsContact O-N 3.1Å; G171-G183 VanDerWaalsContact O-O 3.05Å |
| 184 | E | 89.8 | Confident | 93.8 | Very high | 125 Ų | 125 | 62.8 Ų | 62.8 | 58% | 0.584 | 32% | 0.32 | S | S | * | . | trans | -79.6 | 154.2 | 174.6 | -62.6 | -177.7 | 170.3 | 0 | 0 | 111.8 | G171 K207 | G171-E184 WeakPolarHBondContact CA-O 3.12Å; E184-K207 HydrophobicContact CB-CD 4.28Å; E184-K207 IonicContact OE2-NZ 3.74Å; E184-K207 PolarHBondContact OE2-NZ 2.86Å | ||
| 185 | E | 92.5 | Very high | 93.9 | Very high | 138 Ų | 138 | 63.1 Ų | 63.1 | 65% | 0.645 | 32% | 0.321 | S | S | * | . | trans | -59.5 | 147.2 | 168.7 | -56.5 | -167.9 | 157.8 | 0 | 0 | 110.6 | G169 K207 | G169-E185 CarbonylContact O-C 3.52Å; G169-E185 WeakPolarHBondContact O-CA 3.3Å; G169-E185 VanDerWaalsContact O-CB 3.3Å; G169-E185 WeakPolarHBondContact O-CB 3.36Å; E185-K207 WeakPolarHBondContact O-CE 3.15Å; E185-K207 PolarHBondContact O-NZ 3.17Å | ||
| 186 | F | 93.8 | Very high | 93.9 | Very high | 9 Ų | 9 | 61.3 Ų | 61.3 | 4% | 0.039 | 31% | 0.311 | C | S | . | . | trans | -140.1 | 148.7 | 178 | 67.3 | -98.4 | 0 | 0 | 0 | 111.2 | C139 C145 V147 F167 G168 G169 D190 I192 K207 | C139-F186 VanDerWaalsContact SG-CD2 3.6Å; C145-F186 VanDerWaalsContact SG-CE2 3.54Å; V147-F186 HydrophobicContact CG2-CZ 4.45Å; F167-F186 HydrophobicContact CD1-CD1 4.24Å; F167-F186 AromaticContact CD1-CE1 3.58Å; F167-F186 HydrophobicContact CD1-CE1 3.58Å; F167-F186 HydrophobicContact CD1-CZ 4.42Å; F167-F186 AromaticContact CE1-CD1 3.6Å; F167-F186 HydrophobicContact CE1-CD1 3.6Å; F167-F186 AromaticContact CE1-CE1 3.42Å; F167-F186 HydrophobicContact CE1-CE1 3.42Å; F167-F186 VanDerWaalsContact CE1-CE1 3.42Å; F167-F186 HydrophobicContact CE2-CE1 4.37Å; F167-F186 HydrophobicContact CG-CE1 4.14Å; F167-F186 AromaticContact CZ-CD1 3.82Å; F167-F186 HydrophobicContact CZ-CD1 3.82Å; F167-F186 AromaticContact CZ-CE1 3.84Å; F167-F186 HydrophobicContact CZ-CE1 3.84Å; G168-F186 VanDerWaalsContact C-CZ 3.49Å; G168-F186 WeakPolarHBondContact O-CE1 3.46Å; G169-F186 VanDerWaalsContact CA-O 3.29Å; G169-F186 WeakPolarHBondContact CA-O 3.29Å; G169-F186 PolarHBondContact O-N 3.11Å; F186-D190 WeakPolarHBondContact CA-OD2 3.43Å; F186-D190 HydrophobicContact CB-CB 3.93Å; F186-D190 WeakPolarHBondContact CB-OD2 3.32Å; F186-I192 HydrophobicContact CB-CD1 3.89Å; F186-I192 HydrophobicContact CD1-CD1 3.7Å; F186-I192 HydrophobicContact CD1-CG1 4.16Å; F186-I192 HydrophobicContact CD2-CD1 3.86Å; F186-I192 HydrophobicContact CD2-CG1 3.75Å; F186-I192 HydrophobicContact CE1-CD1 4.12Å; F186-I192 HydrophobicContact CE1-CG1 4.14Å; F186-I192 HydrophobicContact CE2-CD1 4.26Å; F186-I192 HydrophobicContact CE2-CG1 3.73Å; F186-I192 HydrophobicContact CG-CD1 3.56Å; F186-I192 HydrophobicContact CG-CG1 3.98Å; F186-I192 HydrophobicContact CZ-CD1 4.39Å; F186-I192 HydrophobicContact CZ-CG1 3.94Å; F186-K207 HydrophobicContact CB-CD 4.1Å; F186-K207 HydrophobicContact CB-CG 4.43Å | ||
| 187 | T | 89.9 | Confident | 93.9 | Very high | 65 Ų | 65 | 57.7 Ų | 57.7 | 40% | 0.399 | 29% | 0.292 | S | S | . | . | trans | -151.3 | -165 | -173.5 | -167.4 | 0 | 0 | 0 | 0 | 111.1 | C139 H189 D190 | C139-T187 VanDerWaalsContact CB-O 3.26Å; C139-T187 WeakPolarHBondContact CB-O 3.3Å; T187-H189 PolarHBondContact O-N 2.95Å; T187-D190 PolarHBondContact N-OD2 3.06Å; T187-D190 VanDerWaalsContact O-CB 3.27Å; T187-D190 WeakPolarHBondContact O-CB 3.27Å; T187-D190 PolarHBondContact O-N 3.24Å | ||
| 188 | M | 85 | Confident | 94.1 | Very high | 64 Ų | 64 | 51.6 Ų | 51.6 | 32% | 0.315 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -39.9 | 131.8 | 176.3 | -167.5 | 169.1 | 106.4 | 0 | 0 | 112.3 | D141 Q142 D190 | D141-M188 PolarHBondContact O-N 2.88Å; Q142-M188 HydrophobicContact CG-CB 4.09Å; Q142-M188 HydrophobicContact CG-SD 4.17Å; M188-D190 VanDerWaalsContact C-N 3.29Å; M188-D190 PolarHBondContact O-N 2.59Å |
| 189 | H | 86.4 | Confident | 94 | Very high | 141 Ų | 141 | 50.4 Ų | 50.4 | 65% | 0.653 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.5 | -13.1 | -174.8 | -48.6 | -56.3 | 0 | 0 | 0 | 117 | C139 T187 | C139-H189 PolarHBondContact O-N 2.72Å; T187-H189 PolarHBondContact O-N 2.95Å |
| 190 | D | 96 | Very high | 93.9 | Very high | 24 Ų | 24 | 53.4 Ų | 53.4 | 13% | 0.128 | 28% | 0.277 | C | S | . | . | trans | -73 | 146.3 | 172.7 | -69 | -47.7 | 0 | 0 | 0 | 111.8 | C139 F186 T187 M188 K207 N208 | C139-D190 PolarHBondContact N-O 2.83Å; F186-D190 WeakPolarHBondContact CA-OD2 3.43Å; F186-D190 HydrophobicContact CB-CB 3.93Å; F186-D190 WeakPolarHBondContact CB-OD2 3.32Å; T187-D190 PolarHBondContact N-OD2 3.06Å; T187-D190 VanDerWaalsContact O-CB 3.27Å; T187-D190 WeakPolarHBondContact O-CB 3.27Å; T187-D190 PolarHBondContact O-N 3.24Å; M188-D190 VanDerWaalsContact C-N 3.29Å; M188-D190 PolarHBondContact O-N 2.59Å; D190-K207 WeakPolarHBondContact OD1-CE 3.39Å; D190-K207 WeakPolarHBondContact OD2-CE 3.35Å; D190-N208 WeakPolarHBondContact CA-OD1 3.42Å; D190-N208 PolarHBondContact OD1-ND2 2.68Å | ||
| 191 | T | 97.4 | Very high | 93.9 | Very high | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.018 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 123.1 | 174.8 | -56.1 | 0 | 0 | 0 | 0 | 110 | E136 V137 T138 N208 K248 | E136-T191 HydrophobicContact CB-CG2 4.08Å; E136-T191 HydrophobicContact CG-CG2 4.14Å; V137-T191 CarbonylContact O-C 3.46Å; V137-T191 WeakPolarHBondContact O-CA 3.23Å; T138-T191 PolarHBondContact OG1-OG1 3.03Å; T191-N208 PolarHBondContact N-OD1 3.26Å; T191-N208 PolarHBondContact O-N 3.11Å; T191-K248 HydrophobicContact CG2-CD 4.34Å; T191-K248 WeakPolarHBondContact OG1-CD 3.44Å |
| 192 | I | 98.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 120.2 | -179.6 | -53.6 | -53.5 | 0 | 0 | 0 | 109.9 | E136 V137 V147 F167 F186 F205 S206 K207 | E136-I192 CarbonylContact C-O 3.58Å; E136-I192 WeakPolarHBondContact CA-O 3.37Å; V137-I192 PolarHBondContact N-O 2.81Å; V137-I192 PolarHBondContact O-N 3.32Å; V147-I192 HydrophobicContact CG2-CB 4.19Å; V147-I192 HydrophobicContact CG2-CG2 3.75Å; F167-I192 HydrophobicContact CD1-CG2 4.08Å; F167-I192 HydrophobicContact CE1-CD1 4.35Å; F167-I192 HydrophobicContact CE1-CG2 4.47Å; F186-I192 HydrophobicContact CB-CD1 3.89Å; F186-I192 HydrophobicContact CD1-CD1 3.7Å; F186-I192 HydrophobicContact CD1-CG1 4.16Å; F186-I192 HydrophobicContact CD2-CD1 3.86Å; F186-I192 HydrophobicContact CD2-CG1 3.75Å; F186-I192 HydrophobicContact CE1-CD1 4.12Å; F186-I192 HydrophobicContact CE1-CG1 4.14Å; F186-I192 HydrophobicContact CE2-CD1 4.26Å; F186-I192 HydrophobicContact CE2-CG1 3.73Å; F186-I192 HydrophobicContact CG-CD1 3.56Å; F186-I192 HydrophobicContact CG-CG1 3.98Å; F186-I192 HydrophobicContact CZ-CD1 4.39Å; F186-I192 HydrophobicContact CZ-CG1 3.94Å; I192-F205 HydrophobicContact CG2-CD1 4.27Å; I192-S206 CarbonylContact C-O 3.5Å; I192-S206 VanDerWaalsContact CA-O 3.3Å; I192-S206 WeakPolarHBondContact CA-O 3.43Å; I192-K207 HydrophobicContact CD1-CB 4Å; I192-K207 HydrophobicContact CD1-CG 3.97Å |
| 193 | G | 98 | Very high | 94.1 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 125 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y134 F205 S206 | Y134-G193 VanDerWaalsContact CE2-CA 3.43Å; Y134-G193 WeakPolarHBondContact OH-CA 3.26Å; G193-F205 CarbonylContact O-C 3.58Å; G193-F205 WeakPolarHBondContact O-CA 3.36Å; G193-S206 WeakPolarHBondContact CA-OG 3.46Å; G193-S206 PolarHBondContact N-O 3.24Å; G193-S206 PolarHBondContact N-OG 2.95Å; G193-S206 PolarHBondContact O-N 3.25Å |
| 194 | C | 98.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 113.7 | -177.7 | -63.1 | 0 | 0 | 0 | 0 | 109.7 | Y134 Y135 W149 F205 | Y134-C194 WeakPolarHBondContact CA-O 3.42Å; Y135-C194 HydrophobicContact CD1-CB 3.75Å; Y135-C194 HydrophobicContact CD2-CB 4.23Å; Y135-C194 HydrophobicContact CE1-CB 3.33Å; Y135-C194 HydrophobicContact CE2-CB 3.83Å; Y135-C194 HydrophobicContact CG-CB 4.19Å; Y135-C194 VanDerWaalsContact CZ-SG 3.57Å; Y135-C194 PolarHBondContact N-O 2.98Å; Y135-C194 PolarHBondContact O-N 3.29Å; W149-C194 HydrophobicContact CZ2-CB 4.48Å; C194-F205 HydrophobicContact CB-CD1 4.34Å; C194-F205 HydrophobicContact CB-CE1 4.35Å |
| 195 | Y | 98.1 | Very high | 94.7 | Very high | 8 Ų | 8 | 39.9 Ų | 39.9 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 139.2 | -176.8 | -64.4 | -98.3 | 0 | 0 | 0 | 111.2 | Y134 W149 S204 P251 K252 F255 | Y134-Y195 AromaticContact CD2-CD1 3.73Å; Y134-Y195 HydrophobicContact CD2-CD1 3.73Å; Y134-Y195 HydrophobicContact CD2-CD2 4.02Å; Y134-Y195 AromaticContact CD2-CE1 3.52Å; Y134-Y195 HydrophobicContact CD2-CE1 3.52Å; Y134-Y195 AromaticContact CD2-CE2 3.81Å; Y134-Y195 HydrophobicContact CD2-CE2 3.81Å; Y134-Y195 AromaticContact CD2-CG 3.97Å; Y134-Y195 HydrophobicContact CD2-CG 3.97Å; Y134-Y195 AromaticContact CD2-CZ 3.55Å; Y134-Y195 HydrophobicContact CE2-CD1 4.36Å; Y134-Y195 HydrophobicContact CE2-CD2 4.04Å; Y134-Y195 AromaticContact CE2-CE1 3.84Å; Y134-Y195 HydrophobicContact CE2-CE1 3.84Å; Y134-Y195 AromaticContact CE2-CE2 3.46Å; Y134-Y195 HydrophobicContact CE2-CE2 3.46Å; Y134-Y195 VanDerWaalsContact CE2-CE2 3.46Å; Y134-Y195 HydrophobicContact CE2-CG 4.45Å; Y134-Y195 AromaticContact CE2-CZ 3.34Å; Y134-Y195 HydrophobicContact CG-CE1 4.39Å; W149-Y195 PolarHBondContact NE1-O 3.28Å; Y195-S204 WeakPolarHBondContact CB-O 3.38Å; Y195-S204 WeakPolarHBondContact CB-OG 3.11Å; Y195-S204 PolarHBondContact N-O 3.25Å; Y195-S204 PolarHBondContact O-N 3.02Å; Y195-P251 HydrophobicContact CE1-CB 4.22Å; Y195-K252 HydrophobicContact CE1-CG 4.39Å; Y195-F255 AromaticContact CD1-CD1 3.76Å; Y195-F255 HydrophobicContact CD1-CD1 3.76Å; Y195-F255 HydrophobicContact CD1-CD2 4.12Å; Y195-F255 AromaticContact CD1-CE1 3.83Å; Y195-F255 HydrophobicContact CD1-CE1 3.83Å; Y195-F255 HydrophobicContact CD1-CE2 4.18Å; Y195-F255 AromaticContact CD1-CG 3.9Å; Y195-F255 HydrophobicContact CD1-CG 3.9Å; Y195-F255 HydrophobicContact CD1-CZ 4.04Å; Y195-F255 HydrophobicContact CE1-CD2 4.47Å; Y195-F255 HydrophobicContact CE1-CG 4.37Å; Y195-F255 HydrophobicContact CG-CE1 4.39Å |
| 196 | L | 97.6 | Very high | 95 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 112.3 | 174.1 | 179.2 | 70.1 | 0 | 0 | 0 | 109.8 | V128 K132 Y133 W149 L198 I203 I218 F227 | V128-L196 HydrophobicContact CG2-CD2 3.56Å; K132-L196 CarbonylContact C-O 3.56Å; K132-L196 WeakPolarHBondContact CA-O 3.46Å; Y133-L196 PolarHBondContact N-O 3.33Å; Y133-L196 PolarHBondContact O-N 3.06Å; W149-L196 HydrophobicContact CD2-CB 3.97Å; W149-L196 HydrophobicContact CD2-CD1 4.48Å; W149-L196 HydrophobicContact CD2-CD2 3.99Å; W149-L196 HydrophobicContact CD2-CG 4.38Å; W149-L196 VanDerWaalsContact CE2-CB 3.47Å; W149-L196 HydrophobicContact CE3-CB 4.41Å; W149-L196 HydrophobicContact CE3-CD2 3.73Å; W149-L196 HydrophobicContact CG-CD1 4.42Å; W149-L196 HydrophobicContact CH2-CB 3.88Å; W149-L196 HydrophobicContact CH2-CD2 4.07Å; W149-L196 HydrophobicContact CZ2-CB 3.42Å; W149-L196 VanDerWaalsContact CZ2-CB 3.42Å; W149-L196 HydrophobicContact CZ2-CD2 4.35Å; W149-L196 HydrophobicContact CZ2-CG 4.49Å; W149-L196 HydrophobicContact CZ3-CB 4.36Å; W149-L196 HydrophobicContact CZ3-CD2 3.77Å; L196-L198 HydrophobicContact CD1-CD2 3.97Å; L196-L198 HydrophobicContact CD1-CG 4.3Å; L196-L198 HydrophobicContact CD2-CD1 4.06Å; L196-L198 HydrophobicContact CD2-CD2 4.21Å; L196-L198 HydrophobicContact CD2-CG 3.98Å; L196-L198 HydrophobicContact CG-CD2 4.13Å; L196-L198 HydrophobicContact CG-CG 3.91Å; L196-I203 HydrophobicContact CD1-CD1 4.21Å; L196-I203 HydrophobicContact CD1-CG1 3.64Å; L196-I218 HydrophobicContact CD1-CD1 3.7Å; L196-F227 HydrophobicContact CD1-CD1 4.44Å; L196-F227 HydrophobicContact CD1-CG 4.45Å; L196-F227 HydrophobicContact CD2-CB 3.63Å; L196-F227 HydrophobicContact CD2-CG 4.22Å |
| 197 | D | 96.1 | Very high | 95.1 | Very high | 10 Ų | 10 | 34.3 Ų | 34.3 | 5% | 0.053 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 92.3 | 174.3 | -171.4 | -22.4 | 0 | 0 | 0 | 108.8 | K132 D199 K200 G201 Q202 F255 | K132-D197 WeakPolarHBondContact CE-OD1 3.32Å; K132-D197 WeakPolarHBondContact CE-OD2 3.15Å; K132-D197 HydrophobicContact CG-CB 4.45Å; K132-D197 IonicContact NZ-OD1 2.91Å; K132-D197 IonicContact NZ-OD2 3.37Å; K132-D197 PolarHBondContact NZ-OD2 3.05Å; D197-D199 VanDerWaalsContact C-N 3.25Å; D197-D199 PolarHBondContact O-N 2.83Å; D197-D199 WeakPolarHBondContact OD1-CB 3.4Å; D197-D199 PolarHBondContact OD1-N 3.41Å; D197-D199 VanDerWaalsContact OD1-N 3.13Å; D197-K200 PolarHBondContact O-N 2.97Å; D197-K200 PolarHBondContact OD1-N 3.2Å; D197-G201 CarbonylContact O-C 3.54Å; D197-G201 WeakPolarHBondContact O-CA 3.36Å; D197-G201 PolarHBondContact O-N 2.5Å; D197-Q202 PolarHBondContact N-O 3.02Å; D197-Q202 PolarHBondContact O-N 2.86Å; D197-F255 HydrophobicContact CB-CE1 4.19Å; D197-F255 HydrophobicContact CB-CZ 3.99Å |
| 198 | L | 94.3 | Very high | 95.4 | Very high | 25 Ų | 25 | 33.9 Ų | 33.9 | 13% | 0.131 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -16.8 | 178.6 | -68.7 | 172.9 | 0 | 0 | 0 | 112.7 | V128 K130 G131 L196 I218 F227 | V128-L198 HydrophobicContact CG2-CD1 4.2Å; K130-L198 VanDerWaalsContact N-CD1 3.32Å; G131-L198 WeakPolarHBondContact O-CB 3.49Å; G131-L198 PolarHBondContact O-N 3.12Å; L196-L198 HydrophobicContact CD1-CD2 3.97Å; L196-L198 HydrophobicContact CD1-CG 4.3Å; L196-L198 HydrophobicContact CD2-CD1 4.06Å; L196-L198 HydrophobicContact CD2-CD2 4.21Å; L196-L198 HydrophobicContact CD2-CG 3.98Å; L196-L198 HydrophobicContact CG-CD2 4.13Å; L196-L198 HydrophobicContact CG-CG 3.91Å; L198-I218 HydrophobicContact CD2-CD1 3.82Å; L198-F227 HydrophobicContact CD2-CD2 3.85Å; L198-F227 HydrophobicContact CD2-CE2 4.07Å |
| 199 | D | 91.6 | Very high | 95.8 | Very high | 96 Ų | 96 | 32.5 Ų | 32.5 | 51% | 0.513 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -33.1 | 176.5 | -57 | -31.6 | 0 | 0 | 0 | 111 | G131 K132 D197 | G131-D199 PolarHBondContact N-OD1 3.41Å; K132-D199 VanDerWaalsContact CE-OD2 3.28Å; K132-D199 WeakPolarHBondContact CE-OD2 3.37Å; D197-D199 VanDerWaalsContact C-N 3.25Å; D197-D199 PolarHBondContact O-N 2.83Å; D197-D199 WeakPolarHBondContact OD1-CB 3.4Å; D197-D199 PolarHBondContact OD1-N 3.41Å; D197-D199 VanDerWaalsContact OD1-N 3.13Å |
| 200 | K | 92 | Very high | 96.2 | Very high | 157 Ų | 157 | 31.3 Ų | 31.3 | 68% | 0.683 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | -9.7 | 173.6 | -68.8 | -173.9 | 175.3 | -178.4 | 0 | 114.1 | D197 | D197-K200 PolarHBondContact O-N 2.97Å; D197-K200 PolarHBondContact OD1-N 3.2Å |
| 201 | G | 94.7 | Very high | 96.2 | Very high | 17 Ų | 17 | 33.6 Ų | 33.6 | 18% | 0.175 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.8 | 49.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D197 D217 I218 | D197-G201 CarbonylContact O-C 3.54Å; D197-G201 WeakPolarHBondContact O-CA 3.36Å; D197-G201 PolarHBondContact O-N 2.5Å; G201-D217 CarbonylContact O-C 3.55Å; G201-D217 WeakPolarHBondContact O-CA 3.44Å; G201-I218 PolarHBondContact O-N 3.41Å |
| 202 | Q | 96.3 | Very high | 96.1 | Very high | 62 Ų | 62 | 35.3 Ų | 35.3 | 29% | 0.29 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 142.8 | -175.2 | -172.9 | 168.1 | 78.5 | 0 | 0 | 112.5 | D197 S214 F216 | D197-Q202 PolarHBondContact N-O 3.02Å; D197-Q202 PolarHBondContact O-N 2.86Å; Q202-S214 WeakPolarHBondContact CG-OG 3.39Å; Q202-S214 PolarHBondContact NE2-OG 3.19Å; Q202-F216 WeakPolarHBondContact CA-O 3.29Å |
| 203 | I | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 134.6 | 172.2 | -63.2 | 168.9 | 0 | 0 | 0 | 108.7 | W149 F165 L196 F205 A215 F216 I218 F227 | W149-I203 HydrophobicContact CB-CD1 4.17Å; F165-I203 HydrophobicContact CB-CD1 3.65Å; F165-I203 HydrophobicContact CD1-CD1 4.18Å; F165-I203 HydrophobicContact CD2-CD1 3.74Å; F165-I203 HydrophobicContact CE2-CD1 4.45Å; F165-I203 HydrophobicContact CG-CD1 3.59Å; L196-I203 HydrophobicContact CD1-CD1 4.21Å; L196-I203 HydrophobicContact CD1-CG1 3.64Å; I203-F205 HydrophobicContact CG2-CE2 3.78Å; I203-F205 HydrophobicContact CG2-CZ 3.79Å; I203-A215 WeakPolarHBondContact O-CA 3.44Å; I203-A215 WeakPolarHBondContact O-CB 3.14Å; I203-A215 PolarHBondContact O-N 2.88Å; I203-F216 HydrophobicContact CB-CB 4.24Å; I203-F216 HydrophobicContact CB-CD2 4.09Å; I203-F216 HydrophobicContact CG2-CD2 3.99Å; I203-F216 PolarHBondContact N-O 2.88Å; I203-F216 PolarHBondContact O-N 2.87Å; I203-F216 VanDerWaalsContact O-N 3.07Å; I203-I218 HydrophobicContact CD1-CD1 4.26Å; I203-I218 HydrophobicContact CD1-CG1 4.11Å; I203-I218 HydrophobicContact CG1-CD1 4.05Å; I203-I218 HydrophobicContact CG1-CG1 4.11Å; I203-F227 HydrophobicContact CD1-CE1 4.47Å |
| 204 | S | 97.4 | Very high | 95.7 | Very high | 17 Ų | 17 | 39.3 Ų | 39.3 | 12% | 0.119 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 166.1 | 174.9 | 56.6 | 0 | 0 | 0 | 0 | 111.5 | Y195 G213 | Y195-S204 WeakPolarHBondContact CB-O 3.38Å; Y195-S204 WeakPolarHBondContact CB-OG 3.11Å; Y195-S204 PolarHBondContact N-O 3.25Å; Y195-S204 PolarHBondContact O-N 3.02Å; S204-G213 WeakPolarHBondContact CB-O 3.26Å |
| 205 | F | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 155.7 | -179.7 | -56.3 | -90.1 | 0 | 0 | 0 | 111.4 | F167 Y182 I192 G193 C194 I203 L212 A215 F216 | F167-F205 HydrophobicContact CB-CD1 3.89Å; F167-F205 HydrophobicContact CB-CD2 3.71Å; F167-F205 HydrophobicContact CB-CE1 3.85Å; F167-F205 HydrophobicContact CB-CE2 3.69Å; F167-F205 HydrophobicContact CB-CG 3.81Å; F167-F205 HydrophobicContact CB-CZ 3.76Å; F167-F205 HydrophobicContact CD1-CB 3.88Å; F167-F205 HydrophobicContact CD1-CD1 4.22Å; F167-F205 HydrophobicContact CD1-CD2 4.43Å; F167-F205 AromaticContact CD1-CG 3.93Å; F167-F205 HydrophobicContact CD1-CG 3.93Å; F167-F205 HydrophobicContact CE1-CB 4.41Å; F167-F205 HydrophobicContact CG-CB 4.44Å; F167-F205 HydrophobicContact CG-CD1 4.47Å; F167-F205 HydrophobicContact CG-CD2 4.17Å; F167-F205 HydrophobicContact CG-CG 4.11Å; Y182-F205 HydrophobicContact CE1-CB 4.18Å; Y182-F205 AromaticContact CE1-CD2 3.81Å; Y182-F205 HydrophobicContact CE1-CD2 3.81Å; Y182-F205 HydrophobicContact CE1-CG 4.45Å; Y182-F205 PolarHBondContact OH-N 2.88Å; I192-F205 HydrophobicContact CG2-CD1 4.27Å; G193-F205 CarbonylContact O-C 3.58Å; G193-F205 WeakPolarHBondContact O-CA 3.36Å; C194-F205 HydrophobicContact CB-CD1 4.34Å; C194-F205 HydrophobicContact CB-CE1 4.35Å; I203-F205 HydrophobicContact CG2-CE2 3.78Å; I203-F205 HydrophobicContact CG2-CZ 3.79Å; F205-L212 HydrophobicContact CB-CD1 4.39Å; F205-L212 VanDerWaalsContact O-CB 3.31Å; F205-L212 WeakPolarHBondContact O-CB 3.16Å; F205-L212 PolarHBondContact O-N 3.37Å; F205-A215 HydrophobicContact CD2-CB 3.73Å; F205-A215 HydrophobicContact CE2-CB 3.7Å; F205-F216 HydrophobicContact CE2-CD2 4.34Å; F205-F216 AromaticContact CE2-CE2 3.96Å; F205-F216 HydrophobicContact CE2-CE2 3.96Å; F205-F216 HydrophobicContact CZ-CE2 4.49Å |
| 206 | S | 97.3 | Very high | 95.6 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.007 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 153 | 165.4 | 62.9 | 0 | 0 | 0 | 0 | 110.7 | I192 G193 N210 | I192-S206 CarbonylContact C-O 3.5Å; I192-S206 VanDerWaalsContact CA-O 3.3Å; I192-S206 WeakPolarHBondContact CA-O 3.43Å; G193-S206 WeakPolarHBondContact CA-OG 3.46Å; G193-S206 PolarHBondContact N-O 3.24Å; G193-S206 PolarHBondContact N-OG 2.95Å; G193-S206 PolarHBondContact O-N 3.25Å; S206-N210 CarbonylContact C-O 3.55Å; S206-N210 WeakPolarHBondContact CA-O 3.46Å; S206-N210 WeakPolarHBondContact CB-O 3.41Å |
| 207 | K | 97.1 | Very high | 95.5 | Very high | 29 Ų | 29 | 45.7 Ų | 45.7 | 13% | 0.126 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 121.7 | 170 | 179 | -171.7 | 171.2 | -167.4 | 0 | 108.8 | E184 E185 F186 D190 I192 G209 N210 L212 | E184-K207 HydrophobicContact CB-CD 4.28Å; E184-K207 IonicContact OE2-NZ 3.74Å; E184-K207 PolarHBondContact OE2-NZ 2.86Å; E185-K207 WeakPolarHBondContact O-CE 3.15Å; E185-K207 PolarHBondContact O-NZ 3.17Å; F186-K207 HydrophobicContact CB-CD 4.1Å; F186-K207 HydrophobicContact CB-CG 4.43Å; D190-K207 WeakPolarHBondContact OD1-CE 3.39Å; D190-K207 WeakPolarHBondContact OD2-CE 3.35Å; I192-K207 HydrophobicContact CD1-CB 4Å; I192-K207 HydrophobicContact CD1-CG 3.97Å; K207-G209 PolarHBondContact O-N 3.27Å; K207-G209 VanDerWaalsContact O-N 3.14Å; K207-N210 PolarHBondContact N-O 3.45Å; K207-N210 WeakPolarHBondContact O-CB 3.44Å; K207-N210 PolarHBondContact O-N 3.41Å; K207-L212 HydrophobicContact CB-CD1 4.33Å |
| 208 | N | 96.5 | Very high | 95.5 | Very high | 57 Ų | 57 | 46 Ų | 46 | 31% | 0.305 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50 | 38.7 | -178.1 | -56.2 | -28.5 | 0 | 0 | 0 | 112.8 | D190 T191 N210 H249 | D190-N208 WeakPolarHBondContact CA-OD1 3.42Å; D190-N208 PolarHBondContact OD1-ND2 2.68Å; T191-N208 PolarHBondContact N-OD1 3.26Å; T191-N208 PolarHBondContact O-N 3.11Å; N208-N210 VanDerWaalsContact C-N 3.3Å; N208-N210 PolarHBondContact O-N 2.91Å; N208-H249 WeakPolarHBondContact CA-NE2 3.28Å; N208-H249 PolarHBondContact O-CE1 3.18Å; N208-H249 VanDerWaalsContact O-CE1 3.28Å; N208-H249 PolarHBondContact O-ND1 3.28Å |
| 209 | G | 93.3 | Very high | 95.3 | Very high | 35 Ų | 35 | 47.3 Ų | 47.3 | 36% | 0.361 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84 | -12.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | K207 D211 | K207-G209 PolarHBondContact O-N 3.27Å; K207-G209 VanDerWaalsContact O-N 3.14Å; G209-D211 PolarHBondContact O-N 2.98Å |
| 210 | N | 94.8 | Very high | 95.2 | Very high | 115 Ų | 115 | 51.1 Ų | 51.1 | 62% | 0.615 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 118.9 | 176.1 | -62 | -36.5 | 0 | 0 | 0 | 110.3 | S206 K207 N208 | S206-N210 CarbonylContact C-O 3.55Å; S206-N210 WeakPolarHBondContact CA-O 3.46Å; S206-N210 WeakPolarHBondContact CB-O 3.41Å; K207-N210 PolarHBondContact N-O 3.45Å; K207-N210 WeakPolarHBondContact O-CB 3.44Å; K207-N210 PolarHBondContact O-N 3.41Å; N208-N210 VanDerWaalsContact C-N 3.3Å; N208-N210 PolarHBondContact O-N 2.91Å |
| 211 | D | 94.4 | Very high | 95 | Very high | 73 Ų | 73 | 49 Ų | 49 | 39% | 0.39 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 131.6 | 178.2 | 178 | 33.6 | 0 | 0 | 0 | 112 | G209 G213 K252 | G209-D211 PolarHBondContact O-N 2.98Å; D211-G213 PolarHBondContact OD1-N 3.45Å; D211-K252 VanDerWaalsContact CB-NZ 3.35Å; D211-K252 IonicContact OD1-NZ 3.53Å; D211-K252 IonicContact OD2-NZ 2.83Å; D211-K252 PolarHBondContact OD2-NZ 2.96Å |
| 212 | L | 95.4 | Very high | 94.7 | Very high | 39 Ų | 39 | 48.5 Ų | 48.5 | 20% | 0.204 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 1.1 | -179.8 | -54.8 | 174.6 | 0 | 0 | 0 | 112.5 | F167 Y182 F205 K207 | F167-L212 HydrophobicContact CD1-CD1 4.48Å; F167-L212 HydrophobicContact CE1-CD1 3.57Å; F167-L212 HydrophobicContact CE2-CD1 4.49Å; F167-L212 HydrophobicContact CZ-CD1 3.59Å; Y182-L212 HydrophobicContact CE1-CB 3.82Å; Y182-L212 HydrophobicContact CE1-CD1 4.15Å; Y182-L212 HydrophobicContact CE2-CB 4.4Å; Y182-L212 WeakPolarHBondContact CE2-O 3.2Å; F205-L212 HydrophobicContact CB-CD1 4.39Å; F205-L212 VanDerWaalsContact O-CB 3.31Å; F205-L212 WeakPolarHBondContact O-CB 3.16Å; F205-L212 PolarHBondContact O-N 3.37Å; K207-L212 HydrophobicContact CB-CD1 4.33Å |
| 213 | G | 93.9 | Very high | 94 | Very high | 28 Ų | 28 | 48.8 Ų | 48.8 | 29% | 0.289 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 83.2 | -169.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y182 S204 D211 A215 | Y182-G213 PolarHBondContact OH-O 2.78Å; S204-G213 WeakPolarHBondContact CB-O 3.26Å; D211-G213 PolarHBondContact OD1-N 3.45Å; G213-A215 PolarHBondContact O-N 2.73Å |
| 214 | S | 95.6 | Very high | 93.3 | Very high | 56 Ų | 56 | 53.2 Ų | 53.2 | 39% | 0.392 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 126.3 | -178.7 | -178.3 | 0 | 0 | 0 | 0 | 112 | Y182 Q202 | Y182-S214 WeakPolarHBondContact CE2-O 3.35Å; Q202-S214 WeakPolarHBondContact CG-OG 3.39Å; Q202-S214 PolarHBondContact NE2-OG 3.19Å |
| 215 | A | 96.4 | Very high | 93.1 | Very high | 3 Ų | 3 | 55.1 Ų | 55.1 | 3% | 0.025 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | -48.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | K173 Y182 I203 F205 G213 | K173-A215 HydrophobicContact CD-CB 4.43Å; K173-A215 VanDerWaalsContact CD-O 3.25Å; K173-A215 WeakPolarHBondContact CD-O 3.47Å; K173-A215 PolarHBondContact NZ-O 3.26Å; Y182-A215 HydrophobicContact CD1-CB 4.46Å; Y182-A215 HydrophobicContact CD2-CB 4.31Å; Y182-A215 HydrophobicContact CE1-CB 3.95Å; Y182-A215 HydrophobicContact CE2-CB 3.78Å; I203-A215 WeakPolarHBondContact O-CA 3.44Å; I203-A215 WeakPolarHBondContact O-CB 3.14Å; I203-A215 PolarHBondContact O-N 2.88Å; F205-A215 HydrophobicContact CD2-CB 3.73Å; F205-A215 HydrophobicContact CE2-CB 3.7Å; G213-A215 PolarHBondContact O-N 2.73Å |
| 216 | F | 97.3 | Very high | 92.9 | Very high | 22 Ų | 22 | 55.4 Ų | 55.4 | 10% | 0.096 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 143.9 | -174.7 | -50.7 | -82.1 | 0 | 0 | 0 | 111.9 | F165 K173 S174 N175 Q202 I203 F205 | F165-F216 HydrophobicContact CB-CD2 3.85Å; F165-F216 HydrophobicContact CB-CE2 3.84Å; F165-F216 HydrophobicContact CB-CG 4.37Å; F165-F216 HydrophobicContact CB-CZ 4.37Å; F165-F216 HydrophobicContact CD1-CB 3.88Å; F165-F216 AromaticContact CD1-CD1 3.87Å; F165-F216 HydrophobicContact CD1-CD1 3.87Å; F165-F216 HydrophobicContact CD1-CD2 4.03Å; F165-F216 HydrophobicContact CD1-CE1 4.36Å; F165-F216 HydrophobicContact CD1-CE2 4.49Å; F165-F216 AromaticContact CD1-CG 3.67Å; F165-F216 HydrophobicContact CD1-CG 3.67Å; F165-F216 HydrophobicContact CE1-CB 4.33Å; F165-F216 HydrophobicContact CE1-CG 4.49Å; F165-F216 HydrophobicContact CG-CD2 4.38Å; F165-F216 HydrophobicContact CG-CG 4.45Å; K173-F216 HydrophobicContact CB-CE1 4.17Å; K173-F216 HydrophobicContact CB-CE2 4.21Å; K173-F216 HydrophobicContact CB-CZ 3.62Å; K173-F216 HydrophobicContact CD-CD1 4.48Å; K173-F216 HydrophobicContact CD-CE1 4.03Å; K173-F216 HydrophobicContact CD-CZ 4.23Å; K173-F216 HydrophobicContact CG-CE1 4.16Å; K173-F216 HydrophobicContact CG-CZ 4.14Å; S174-F216 WeakPolarHBondContact O-CZ 3.14Å; N175-F216 HydrophobicContact CB-CD1 4.26Å; N175-F216 HydrophobicContact CB-CE1 3.75Å; N175-F216 HydrophobicContact CB-CZ 4.45Å; Q202-F216 WeakPolarHBondContact CA-O 3.29Å; I203-F216 HydrophobicContact CB-CB 4.24Å; I203-F216 HydrophobicContact CB-CD2 4.09Å; I203-F216 HydrophobicContact CG2-CD2 3.99Å; I203-F216 PolarHBondContact N-O 2.88Å; I203-F216 PolarHBondContact O-N 2.87Å; I203-F216 VanDerWaalsContact O-N 3.07Å; F205-F216 HydrophobicContact CE2-CD2 4.34Å; F205-F216 AromaticContact CE2-CE2 3.96Å; F205-F216 HydrophobicContact CE2-CE2 3.96Å; F205-F216 HydrophobicContact CZ-CE2 4.49Å |
| 217 | D | 96.4 | Very high | 93 | Very high | 118 Ų | 118 | 55.3 Ų | 55.3 | 63% | 0.631 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 129 | 161.9 | -58.6 | -49.4 | 0 | 0 | 0 | 108.5 | G201 P219 | G201-D217 CarbonylContact O-C 3.55Å; G201-D217 WeakPolarHBondContact O-CA 3.44Å; D217-P219 WeakPolarHBondContact O-CD 3.39Å |
| 218 | I | 94.8 | Very high | 93 | Very high | 15 Ų | 15 | 54.1 Ų | 54.1 | 8% | 0.077 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -77.6 | 121.5 | -177.6 | -59.6 | 175.7 | 0 | 0 | 0 | 108.2 | L196 L198 G201 I203 L222 F227 | L196-I218 HydrophobicContact CD1-CD1 3.7Å; L198-I218 HydrophobicContact CD2-CD1 3.82Å; G201-I218 PolarHBondContact O-N 3.41Å; I203-I218 HydrophobicContact CD1-CD1 4.26Å; I203-I218 HydrophobicContact CD1-CG1 4.11Å; I203-I218 HydrophobicContact CG1-CD1 4.05Å; I203-I218 HydrophobicContact CG1-CG1 4.11Å; I218-L222 HydrophobicContact CG2-CB 4.04Å; I218-F227 HydrophobicContact CD1-CE1 4.39Å; I218-F227 HydrophobicContact CD1-CE2 4.43Å; I218-F227 HydrophobicContact CD1-CZ 4.09Å; I218-F227 HydrophobicContact CG1-CZ 4.45Å; I218-F227 HydrophobicContact CG2-CE2 4.21Å; I218-F227 HydrophobicContact CG2-CZ 3.69Å |
| 219 | P | 91.2 | Very high | 93.1 | Very high | 53 Ų | 53 | 51.4 Ų | 51.4 | 34% | 0.344 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 140.4 | 176.3 | -26.2 | 35.2 | 0 | 0 | 0 | 112.3 | D217 N221 L222 S223 | D217-P219 WeakPolarHBondContact O-CD 3.39Å; P219-N221 WeakPolarHBondContact CB-OD1 3.26Å; P219-N221 PolarHBondContact O-N 3.11Å; P219-N221 VanDerWaalsContact O-N 3.09Å; P219-L222 HydrophobicContact CB-CG 4.45Å; P219-L222 HydrophobicContact CG-CD1 4.3Å; P219-L222 WeakPolarHBondContact O-CA 3.27Å; P219-L222 PolarHBondContact O-N 3.17Å; P219-S223 PolarHBondContact O-N 3.16Å |
| 220 | E | 87.9 | Confident | 93.3 | Very high | 176 Ų | 176 | 49.9 Ų | 49.9 | 82% | 0.822 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -54 | -35.4 | -178.6 | -71.8 | -174.5 | 170.7 | 0 | 0 | 112.7 | L222 S223 | E220-L222 PolarHBondContact O-N 3.38Å; E220-S223 WeakPolarHBondContact O-CB 3.21Å; E220-S223 PolarHBondContact O-N 2.93Å; E220-S223 VanDerWaalsContact O-N 3.17Å; E220-S223 PolarHBondContact O-OG 3.14Å |
| 221 | N | 87.8 | Confident | 93.5 | Very high | 113 Ų | 113 | 44.5 Ų | 44.5 | 60% | 0.604 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -68.9 | -12.7 | 178.1 | 69.8 | -73.9 | 0 | 0 | 0 | 114.2 | P219 | P219-N221 WeakPolarHBondContact CB-OD1 3.26Å; P219-N221 PolarHBondContact O-N 3.11Å; P219-N221 VanDerWaalsContact O-N 3.09Å |
| 222 | L | 89.8 | Confident | 93.6 | Very high | 7 Ų | 7 | 41 Ų | 41 | 4% | 0.037 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -103.7 | -10.1 | 174.7 | -60.8 | -175.2 | 0 | 0 | 0 | 112.7 | Y163 F165 I218 P219 E220 S224 Q225 F227 | Y163-L222 HydrophobicContact CD1-CD1 4.46Å; Y163-L222 HydrophobicContact CD1-CD2 3.83Å; Y163-L222 HydrophobicContact CE1-CD2 3.95Å; F165-L222 HydrophobicContact CE2-CD1 4.3Å; F165-L222 HydrophobicContact CZ-CD1 4.11Å; I218-L222 HydrophobicContact CG2-CB 4.04Å; P219-L222 HydrophobicContact CB-CG 4.45Å; P219-L222 HydrophobicContact CG-CD1 4.3Å; P219-L222 WeakPolarHBondContact O-CA 3.27Å; P219-L222 PolarHBondContact O-N 3.17Å; E220-L222 PolarHBondContact O-N 3.38Å; L222-S224 PolarHBondContact O-N 3.23Å; L222-S224 VanDerWaalsContact O-N 3.13Å; L222-Q225 HydrophobicContact CD2-CG 4.32Å; L222-Q225 WeakPolarHBondContact O-CB 3.46Å; L222-Q225 PolarHBondContact O-N 2.98Å; L222-F227 HydrophobicContact CB-CZ 4.31Å |
| 223 | S | 81.3 | Confident | 93.5 | Very high | 68 Ų | 68 | 39.2 Ų | 39.2 | 48% | 0.476 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -28 | -176.7 | 64.8 | 0 | 0 | 0 | 0 | 114.1 | P219 E220 | P219-S223 PolarHBondContact O-N 3.16Å; E220-S223 WeakPolarHBondContact O-CB 3.21Å; E220-S223 PolarHBondContact O-N 2.93Å; E220-S223 VanDerWaalsContact O-N 3.17Å; E220-S223 PolarHBondContact O-OG 3.14Å |
| 224 | S | 82.9 | Confident | 93.2 | Very high | 93 Ų | 93 | 40.3 Ų | 40.3 | 65% | 0.65 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | 1.5 | 178.4 | 74 | 0 | 0 | 0 | 0 | 114.1 | L222 | L222-S224 PolarHBondContact O-N 3.23Å; L222-S224 VanDerWaalsContact O-N 3.13Å |
| 225 | Q | 92.6 | Very high | 92.6 | Very high | 57 Ų | 57 | 39.7 Ų | 39.7 | 27% | 0.266 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -89.4 | 157.7 | -177.9 | -61.2 | -63.9 | -34.7 | 0 | 0 | 111.6 | T151 L222 | T151-Q225 HydrophobicContact CG2-CB 3.89Å; L222-Q225 HydrophobicContact CD2-CG 4.32Å; L222-Q225 WeakPolarHBondContact O-CB 3.46Å; L222-Q225 PolarHBondContact O-N 2.98Å |
| 226 | G | 94.9 | Very high | 92 | Very high | 5 Ų | 5 | 39.7 Ų | 39.7 | 5% | 0.052 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -76.6 | 129.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | T151 F228 | T151-G226 WeakPolarHBondContact CA-O 3.4Å; G226-F228 WeakPolarHBondContact O-CE2 3.37Å |
| 227 | F | 97.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 125.8 | 174.5 | -78.6 | -96.8 | 0 | 0 | 0 | 111.2 | G127 V128 W149 T151 F165 L196 L198 I203 I218 L222 | G127-F227 CarbonylContact C-O 3.57Å; G127-F227 WeakPolarHBondContact CA-O 3.26Å; V128-F227 PolarHBondContact N-O 2.97Å; V128-F227 PolarHBondContact O-N 3.14Å; W149-F227 HydrophobicContact CB-CD1 4.01Å; W149-F227 HydrophobicContact CE3-CB 4.32Å; T151-F227 HydrophobicContact CG2-CD1 4.47Å; T151-F227 HydrophobicContact CG2-CE1 4.13Å; T151-F227 HydrophobicContact CG2-CE2 4.32Å; T151-F227 HydrophobicContact CG2-CZ 4.03Å; F165-F227 AromaticContact CD2-CE1 3.99Å; F165-F227 HydrophobicContact CD2-CE1 3.99Å; F165-F227 AromaticContact CE2-CE1 3.76Å; F165-F227 HydrophobicContact CE2-CE1 3.76Å; F165-F227 HydrophobicContact CE2-CZ 4.34Å; L196-F227 HydrophobicContact CD1-CD1 4.44Å; L196-F227 HydrophobicContact CD1-CG 4.45Å; L196-F227 HydrophobicContact CD2-CB 3.63Å; L196-F227 HydrophobicContact CD2-CG 4.22Å; L198-F227 HydrophobicContact CD2-CD2 3.85Å; L198-F227 HydrophobicContact CD2-CE2 4.07Å; I203-F227 HydrophobicContact CD1-CE1 4.47Å; I218-F227 HydrophobicContact CD1-CE1 4.39Å; I218-F227 HydrophobicContact CD1-CE2 4.43Å; I218-F227 HydrophobicContact CD1-CZ 4.09Å; I218-F227 HydrophobicContact CG1-CZ 4.45Å; I218-F227 HydrophobicContact CG2-CE2 4.21Å; I218-F227 HydrophobicContact CG2-CZ 3.69Å; L222-F227 HydrophobicContact CB-CZ 4.31Å |
| 228 | F | 98.2 | Very high | 91.4 | Very high | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.018 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 140.2 | -177.5 | -61.7 | -96.8 | 0 | 0 | 0 | 109.6 | R123 S124 K126 G127 W149 S150 G226 S230 I267 | R123-F228 HydrophobicContact CB-CB 4.28Å; S124-F228 WeakPolarHBondContact O-CD1 3.33Å; K126-F228 WeakPolarHBondContact O-CD1 3.49Å; G127-F228 VanDerWaalsContact N-CE1 3.32Å; W149-F228 WeakPolarHBondContact CA-O 3.19Å; S150-F228 PolarHBondContact N-O 3.26Å; S150-F228 PolarHBondContact O-N 2.85Å; G226-F228 WeakPolarHBondContact O-CE2 3.37Å; F228-S230 PolarHBondContact O-N 3.3Å; F228-S230 PolarHBondContact O-OG 3.03Å; F228-I267 HydrophobicContact CE2-CG2 4.48Å; F228-I267 HydrophobicContact CZ-CG2 3.99Å |
| 229 | A | 98.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 133.3 | 168 | 0 | 0 | 0 | 0 | 0 | 108.8 | R123 S124 Y135 F242 L258 | R123-A229 CarbonylContact C-O 3.3Å; R123-A229 WeakPolarHBondContact CA-O 3.48Å; S124-A229 PolarHBondContact N-O 2.7Å; S124-A229 PolarHBondContact OG-N 2.92Å; S124-A229 PolarHBondContact OG-O 2.85Å; Y135-A229 HydrophobicContact CD1-CB 4.09Å; Y135-A229 HydrophobicContact CE1-CB 3.58Å; Y135-A229 HydrophobicContact CE2-CB 4.09Å; A229-F242 HydrophobicContact CB-CE1 3.53Å; A229-F242 HydrophobicContact CB-CZ 4.2Å; A229-L258 HydrophobicContact CB-CD1 4.12Å |
| 230 | S | 98.1 | Very high | 91.7 | Very high | 3 Ų | 3 | 34.7 Ų | 34.7 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 149.4 | -166.3 | -53.3 | 0 | 0 | 0 | 0 | 110.6 | C122 G148 S150 F228 | C122-S230 WeakPolarHBondContact O-CA 3.5Å; G148-S230 PolarHBondContact N-O 3.08Å; G148-S230 WeakPolarHBondContact O-CA 3.31Å; G148-S230 PolarHBondContact O-N 3.39Å; G148-S230 VanDerWaalsContact O-O 3.14Å; S150-S230 WeakPolarHBondContact CB-OG 3.21Å; S150-S230 PolarHBondContact N-OG 3.07Å; S150-S230 PolarHBondContact OG-OG 3.36Å; F228-S230 PolarHBondContact O-N 3.3Å; F228-S230 PolarHBondContact O-OG 3.03Å |
| 231 | C | 98.1 | Very high | 92.2 | Very high | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.014 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 167.5 | 167.3 | 66.7 | 0 | 0 | 0 | 0 | 112.2 | F102 G121 C122 R146 V147 L238 F240 | F102-C231 WeakPolarHBondContact CZ-SG 3.29Å; G121-C231 CarbonylContact C-O 3.51Å; G121-C231 WeakPolarHBondContact CA-O 3.16Å; C122-C231 PolarHBondContact N-O 3.44Å; C122-C231 PolarHBondContact O-N 3.39Å; C122-C231 VanDerWaalsContact O-N 3.09Å; R146-C231 CarbonylContact O-C 3.46Å; R146-C231 WeakPolarHBondContact O-CA 3.41Å; R146-C231 VanDerWaalsContact O-CB 3.24Å; R146-C231 WeakPolarHBondContact O-CB 3.34Å; V147-C231 HydrophobicContact CG1-CB 4.13Å; C231-L238 HydrophobicContact CB-CD1 4.09Å; C231-F240 HydrophobicContact CB-CE2 4.46Å; C231-F240 HydrophobicContact CB-CZ 3.8Å; C231-F240 VanDerWaalsContact SG-CZ 3.57Å |
| 232 | V | 97.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 138.7 | 170.1 | 67.8 | 0 | 0 | 0 | 0 | 108.9 | W119 H120 C145 R146 L158 | W119-V232 HydrophobicContact CB-CG2 3.65Å; W119-V232 HydrophobicContact CD2-CG2 4.39Å; W119-V232 HydrophobicContact CE3-CB 4.33Å; W119-V232 HydrophobicContact CE3-CG1 3.85Å; W119-V232 HydrophobicContact CE3-CG2 3.85Å; W119-V232 HydrophobicContact CG-CG2 4.39Å; W119-V232 HydrophobicContact CZ3-CG1 4.12Å; H120-V232 VanDerWaalsContact C-CG2 3.47Å; H120-V232 CarbonylContact O-C 3.58Å; H120-V232 VanDerWaalsContact O-CA 3.27Å; H120-V232 WeakPolarHBondContact O-CA 3.3Å; H120-V232 VanDerWaalsContact O-CG2 3.32Å; H120-V232 WeakPolarHBondContact O-CG2 3.48Å; C145-V232 CarbonylContact C-O 3.49Å; C145-V232 VanDerWaalsContact CA-O 3.27Å; C145-V232 WeakPolarHBondContact CA-O 3.25Å; R146-V232 HydrophobicContact CB-CG1 3.79Å; R146-V232 HydrophobicContact CG-CG1 4.43Å; R146-V232 PolarHBondContact N-O 3.34Å; R146-V232 PolarHBondContact O-N 3.14Å; L158-V232 HydrophobicContact CB-CB 4.28Å; L158-V232 HydrophobicContact CB-CG1 3.93Å |
| 233 | L | 92.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 148.8 | -169.4 | -56 | 178.6 | 0 | 0 | 0 | 110.3 | F102 C111 H120 C145 A236 L238 | F102-L233 HydrophobicContact CD2-CD1 4.24Å; F102-L233 HydrophobicContact CD2-CG 4.44Å; F102-L233 HydrophobicContact CE2-CB 4.37Å; F102-L233 HydrophobicContact CE2-CD1 3.53Å; F102-L233 HydrophobicContact CE2-CG 3.69Å; F102-L233 HydrophobicContact CZ-CD1 3.82Å; F102-L233 HydrophobicContact CZ-CG 4.34Å; C111-L233 HydrophobicContact CB-CD1 4.29Å; H120-L233 PolarHBondContact N-O 2.98Å; H120-L233 PolarHBondContact O-N 3.09Å; C145-L233 HydrophobicContact CB-CD2 3.6Å; L233-A236 HydrophobicContact CB-CB 4.41Å; L233-A236 HydrophobicContact CD2-CB 4.21Å; L233-L238 HydrophobicContact CD2-CD1 3.44Å; L233-L238 VanDerWaalsContact CD2-CD1 3.44Å; L233-L238 HydrophobicContact CD2-CG 3.58Å |
| 234 | K | 89 | Confident | 93 | Very high | 52 Ų | 52 | 22.1 Ų | 22.1 | 23% | 0.226 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 104.3 | 172.6 | 179.9 | 173.3 | 177.4 | 167.1 | 0 | 108.3 | E115 F116 K117 W119 L144 A236 | E115-K234 CarbonylContact O-C 3.54Å; E115-K234 WeakPolarHBondContact O-CG 3.5Å; F116-K234 VanDerWaalsContact C-CE 3.45Å; F116-K234 WeakPolarHBondContact O-CE 3.43Å; F116-K234 PolarHBondContact O-NZ 3.09Å; K117-K234 VanDerWaalsContact O-CE 3.3Å; K117-K234 WeakPolarHBondContact O-CE 3.42Å; K117-K234 PolarHBondContact O-NZ 3.11Å; W119-K234 HydrophobicContact CD2-CB 3.94Å; W119-K234 HydrophobicContact CD2-CD 4.25Å; W119-K234 HydrophobicContact CE3-CB 3.77Å; W119-K234 HydrophobicContact CH2-CB 4.41Å; W119-K234 HydrophobicContact CZ2-CD 4.32Å; W119-K234 HydrophobicContact CZ3-CB 4.03Å; L144-K234 HydrophobicContact CB-CB 4.31Å; L144-K234 PolarHBondContact N-O 2.96Å; L144-K234 PolarHBondContact O-N 2.87Å; K234-A236 VanDerWaalsContact C-N 3.32Å; K234-A236 PolarHBondContact O-N 2.76Å |
| 235 | N | 81.6 | Confident | 93.4 | Very high | 43 Ų | 43 | 22.6 Ų | 22.6 | 23% | 0.23 | 13% | 0.13 | C | C | . | . | S | Bend | trans | 50.1 | 45 | -170.2 | -168.4 | 48.5 | 0 | 0 | 0 | 114.1 | S113 E115 F116 G143 | S113-N235 CarbonylContact O-C 3.5Å; S113-N235 VanDerWaalsContact O-C 3.28Å; S113-N235 WeakPolarHBondContact O-CA 3.11Å; S113-N235 PolarHBondContact O-N 2.82Å; E115-N235 PolarHBondContact O-N 3.14Å; F116-N235 HydrophobicContact CD1-CB 4.04Å; F116-N235 HydrophobicContact CE1-CB 4.11Å; F116-N235 VanDerWaalsContact CE1-CG 3.43Å; F116-N235 VanDerWaalsContact CE1-ND2 3.27Å; F116-N235 WeakPolarHBondContact CE1-ND2 3.46Å; F116-N235 HydrophobicContact CG-CB 4.48Å; G143-N235 WeakPolarHBondContact CA-O 3.19Å |
| 236 | A | 84.6 | Confident | 93.4 | Very high | 2 Ų | 2 | 27.6 Ų | 27.6 | 2% | 0.017 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 160.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q112 S113 C145 L233 K234 | Q112-A236 VanDerWaalsContact CA-O 3.3Å; Q112-A236 WeakPolarHBondContact CA-O 3.47Å; S113-A236 PolarHBondContact N-O 2.97Å; S113-A236 PolarHBondContact O-N 2.8Å; C145-A236 HydrophobicContact CB-CB 4.39Å; L233-A236 HydrophobicContact CB-CB 4.41Å; L233-A236 HydrophobicContact CD2-CB 4.21Å; K234-A236 VanDerWaalsContact C-N 3.32Å; K234-A236 PolarHBondContact O-N 2.76Å |
| 237 | E | 89.6 | Confident | 93.4 | Very high | 41 Ų | 41 | 29.1 Ų | 29.1 | 19% | 0.192 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 137.6 | 172.6 | -177.7 | -178.3 | 112 | 0 | 0 | 111.2 | C111 Q112 R114 N140 D141 | C111-E237 CarbonylContact O-C 3.56Å; C111-E237 VanDerWaalsContact O-CA 3.29Å; C111-E237 WeakPolarHBondContact O-CA 3.43Å; C111-E237 WeakPolarHBondContact O-CG 3.44Å; Q112-E237 HydrophobicContact CB-CB 4.01Å; Q112-E237 HydrophobicContact CB-CG 4.06Å; R114-E237 IonicContact NH2-OE2 3.56Å; R114-E237 PolarHBondContact NH2-OE2 3.31Å; N140-E237 HydrophobicContact CB-CB 4.2Å; N140-E237 HydrophobicContact CB-CG 4.06Å; N140-E237 WeakPolarHBondContact CB-OE1 3.49Å; N140-E237 PolarHBondContact N-O 2.85Å; N140-E237 PolarHBondContact ND2-OE1 2.88Å; D141-E237 HydrophobicContact CB-CB 4.1Å |
| 238 | L | 91.9 | Very high | 93.2 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 143.3 | 177.9 | -62.2 | -177.2 | 0 | 0 | 0 | 111 | C110 C111 V137 T138 C139 C145 V147 C231 L233 F240 | C110-L238 CarbonylContact C-O 3.6Å; C110-L238 WeakPolarHBondContact CA-O 3.35Å; C111-L238 PolarHBondContact N-O 2.81Å; C111-L238 PolarHBondContact O-N 3.38Å; V137-L238 HydrophobicContact CG1-CB 3.69Å; V137-L238 HydrophobicContact CG1-CD1 3.82Å; V137-L238 HydrophobicContact CG1-CD2 4.06Å; V137-L238 HydrophobicContact CG1-CG 4.07Å; T138-L238 CarbonylContact O-C 3.32Å; T138-L238 WeakPolarHBondContact O-CA 3.42Å; C139-L238 HydrophobicContact CB-CD2 4.03Å; C139-L238 VanDerWaalsContact SG-CD2 3.51Å; C145-L238 HydrophobicContact CB-CD1 4.05Å; C145-L238 HydrophobicContact CB-CD2 4.29Å; C145-L238 HydrophobicContact CB-CG 4.41Å; V147-L238 HydrophobicContact CG1-CD1 3.48Å; V147-L238 VanDerWaalsContact CG1-CD1 3.48Å; C231-L238 HydrophobicContact CB-CD1 4.09Å; L233-L238 HydrophobicContact CD2-CD1 3.44Å; L233-L238 VanDerWaalsContact CD2-CD1 3.44Å; L233-L238 HydrophobicContact CD2-CG 3.58Å; L238-F240 HydrophobicContact CB-CE2 4.32Å |
| 239 | K | 94.8 | Very high | 93.1 | Very high | 61 Ų | 61 | 37.5 Ų | 37.5 | 27% | 0.265 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 124.2 | 167.3 | -172.6 | -174.5 | 179.5 | -161.2 | 0 | 110.3 | V137 T138 E245 | V137-K239 CarbonylContact C-O 3.58Å; V137-K239 WeakPolarHBondContact CA-O 3.29Å; T138-K239 PolarHBondContact N-O 2.99Å; T138-K239 PolarHBondContact O-N 2.94Å; K239-E245 IonicContact NZ-OE1 2.7Å; K239-E245 PolarHBondContact NZ-OE1 3.44Å; K239-E245 IonicContact NZ-OE2 3.72Å; K239-E245 PolarHBondContact NZ-OE2 2.92Å |
| 240 | F | 97.4 | Very high | 92.7 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 0% | 0.004 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 143.8 | 176.1 | -73.6 | -104.9 | 0 | 0 | 0 | 111.7 | M93 L109 C111 Y135 V137 C231 L238 F242 | M93-F240 HydrophobicContact CE-CE1 4.36Å; M93-F240 HydrophobicContact CE-CE2 4.14Å; M93-F240 HydrophobicContact CE-CZ 3.87Å; M93-F240 HydrophobicContact CG-CD2 4.04Å; M93-F240 HydrophobicContact CG-CE2 4.2Å; M93-F240 HydrophobicContact CG-CG 4.35Å; M93-F240 HydrophobicContact SD-CD1 4.07Å; M93-F240 HydrophobicContact SD-CD2 4.19Å; M93-F240 HydrophobicContact SD-CE1 3.9Å; M93-F240 HydrophobicContact SD-CE2 4.04Å; M93-F240 HydrophobicContact SD-CG 4.2Å; M93-F240 HydrophobicContact SD-CZ 3.88Å; L109-F240 WeakPolarHBondContact CB-O 3.48Å; L109-F240 HydrophobicContact CD2-CB 4.42Å; L109-F240 WeakPolarHBondContact O-CD2 3.4Å; L109-F240 PolarHBondContact O-N 3.45Å; C111-F240 HydrophobicContact CB-CE2 4.48Å; Y135-F240 AromaticContact CD2-CD1 3.96Å; Y135-F240 HydrophobicContact CD2-CD1 3.96Å; Y135-F240 HydrophobicContact CD2-CE1 4.34Å; Y135-F240 AromaticContact CE2-CD1 3.79Å; Y135-F240 HydrophobicContact CE2-CD1 3.79Å; Y135-F240 AromaticContact CE2-CE1 3.69Å; Y135-F240 HydrophobicContact CE2-CE1 3.69Å; V137-F240 HydrophobicContact CG1-CD2 4.45Å; V137-F240 HydrophobicContact CG1-CE2 4.36Å; V137-F240 HydrophobicContact CG1-CZ 4.46Å; V137-F240 HydrophobicContact CG2-CD1 3.78Å; V137-F240 HydrophobicContact CG2-CE1 3.73Å; V137-F240 HydrophobicContact CG2-CG 4.37Å; V137-F240 HydrophobicContact CG2-CZ 4.26Å; C231-F240 HydrophobicContact CB-CE2 4.46Å; C231-F240 HydrophobicContact CB-CZ 3.8Å; C231-F240 VanDerWaalsContact SG-CZ 3.57Å; L238-F240 HydrophobicContact CB-CE2 4.32Å; F240-F242 HydrophobicContact CB-CE2 3.9Å; F240-F242 HydrophobicContact CB-CZ 3.93Å; F240-F242 AromaticContact CD1-CE1 3.94Å; F240-F242 HydrophobicContact CD1-CE1 3.94Å; F240-F242 HydrophobicContact CD1-CE2 4.46Å; F240-F242 AromaticContact CD1-CZ 3.63Å; F240-F242 HydrophobicContact CD1-CZ 3.63Å; F240-F242 HydrophobicContact CE1-CZ 4.46Å; F240-F242 HydrophobicContact CG-CE2 4.44Å; F240-F242 HydrophobicContact CG-CZ 4.03Å |
| 241 | N | 97.1 | Very high | 92.2 | Very high | 14 Ų | 14 | 43.6 Ų | 43.6 | 8% | 0.075 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 113.3 | 163.7 | -178.7 | 4.6 | 0 | 0 | 0 | 108.5 | Y135 E136 G243 G244 E245 D246 F247 | Y135-N241 WeakPolarHBondContact CB-O 3.32Å; E136-N241 HydrophobicContact CB-CB 4.35Å; E136-N241 PolarHBondContact N-O 3.12Å; E136-N241 PolarHBondContact O-N 3.49Å; N241-G243 PolarHBondContact OD1-N 3.18Å; N241-G244 PolarHBondContact OD1-N 2.85Å; N241-E245 PolarHBondContact ND2-O 3.47Å; N241-E245 PolarHBondContact OD1-N 3.27Å; N241-E245 PolarHBondContact OD1-O 3.06Å; N241-D246 PolarHBondContact ND2-O 2.91Å; N241-F247 HydrophobicContact CB-CD1 4.46Å; N241-F247 HydrophobicContact CB-CE1 4.38Å; N241-F247 WeakPolarHBondContact O-CE1 3.45Å |
| 242 | F | 97.1 | Very high | 91.5 | Very high | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.018 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -89.2 | -3 | 178.4 | -63.9 | -64.1 | 0 | 0 | 0 | 113.7 | W91 M93 L109 Y135 A229 F240 L258 D259 | W91-F242 HydrophobicContact CB-CB 3.93Å; W91-F242 HydrophobicContact CB-CD2 4.1Å; W91-F242 HydrophobicContact CB-CG 4.1Å; W91-F242 WeakPolarHBondContact O-CD2 3.48Å; M93-F242 HydrophobicContact SD-CE2 4.5Å; M93-F242 HydrophobicContact SD-CZ 3.85Å; L109-F242 HydrophobicContact CD2-CD2 3.54Å; L109-F242 HydrophobicContact CD2-CE2 3.65Å; Y135-F242 HydrophobicContact CD2-CD1 4.49Å; Y135-F242 HydrophobicContact CD2-CE1 4.22Å; Y135-F242 HydrophobicContact CG-CD1 4.21Å; Y135-F242 HydrophobicContact CG-CE1 4.26Å; A229-F242 HydrophobicContact CB-CE1 3.53Å; A229-F242 HydrophobicContact CB-CZ 4.2Å; F240-F242 HydrophobicContact CB-CE2 3.9Å; F240-F242 HydrophobicContact CB-CZ 3.93Å; F240-F242 AromaticContact CD1-CE1 3.94Å; F240-F242 HydrophobicContact CD1-CE1 3.94Å; F240-F242 HydrophobicContact CD1-CE2 4.46Å; F240-F242 AromaticContact CD1-CZ 3.63Å; F240-F242 HydrophobicContact CD1-CZ 3.63Å; F240-F242 HydrophobicContact CE1-CZ 4.46Å; F240-F242 HydrophobicContact CG-CE2 4.44Å; F240-F242 HydrophobicContact CG-CZ 4.03Å; F242-L258 HydrophobicContact CB-CB 4.29Å; F242-L258 HydrophobicContact CD1-CB 4.25Å; F242-L258 HydrophobicContact CD1-CD1 3.68Å; F242-L258 HydrophobicContact CE1-CD1 4.09Å; F242-L258 PolarHBondContact O-N 2.93Å; F242-L258 VanDerWaalsContact O-N 3.13Å; F242-D259 HydrophobicContact CB-CB 4.42Å; F242-D259 PolarHBondContact O-N 3.03Å |
| 243 | G | 92.7 | Very high | 90.5 | Very high | 16 Ų | 16 | 54.5 Ų | 54.5 | 17% | 0.165 | 30% | 0.304 | C | S | . | . | S | Bend | trans | 122.2 | -1.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | N241 E245 D259 | N241-G243 PolarHBondContact OD1-N 3.18Å; G243-E245 VanDerWaalsContact C-N 3.32Å; G243-D259 VanDerWaalsContact C-CG 3.46Å; G243-D259 WeakPolarHBondContact CA-OD1 3.18Å |
| 244 | G | 86.8 | Confident | 90.3 | Very high | 66 Ų | 66 | 57.2 Ų | 57.2 | 68% | 0.68 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -76.5 | -19 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114 | N241 D259 | N241-G244 PolarHBondContact OD1-N 2.85Å; G244-D259 PolarHBondContact N-OD2 3.23Å; G244-D259 VanDerWaalsContact N-OD2 3.14Å |
| 245 | E | 90 | Very high | 90.5 | Very high | 103 Ų | 103 | 56.6 Ų | 56.6 | 48% | 0.481 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -120.3 | 158.4 | 169.1 | -65 | 177.4 | 174.6 | 0 | 0 | 108.4 | K239 N241 G243 F247 | K239-E245 IonicContact NZ-OE1 2.7Å; K239-E245 PolarHBondContact NZ-OE1 3.44Å; K239-E245 IonicContact NZ-OE2 3.72Å; K239-E245 PolarHBondContact NZ-OE2 2.92Å; N241-E245 PolarHBondContact ND2-O 3.47Å; N241-E245 PolarHBondContact OD1-N 3.27Å; N241-E245 PolarHBondContact OD1-O 3.06Å; G243-E245 VanDerWaalsContact C-N 3.32Å; E245-F247 PolarHBondContact O-N 2.89Å |
| 246 | D | 93 | Very high | 91.1 | Very high | 162 Ų | 162 | 57.5 Ų | 57.5 | 87% | 0.866 | 34% | 0.336 | S | S | * | . | trans | -58.1 | 133.1 | 173.5 | -71.1 | -30.8 | 0 | 0 | 0 | 110.7 | N241 | N241-D246 PolarHBondContact ND2-O 2.91Š| ||
| 247 | F | 95.8 | Very high | 91.7 | Very high | 36 Ų | 36 | 57.5 Ų | 57.5 | 16% | 0.158 | 34% | 0.337 | C | S | . | . | trans | -68.6 | 138.8 | 175.9 | -66.2 | -56.9 | 0 | 0 | 0 | 110.8 | Y134 E136 N241 E245 H249 A257 | Y134-F247 HydrophobicContact CD1-CD1 4.36Å; Y134-F247 HydrophobicContact CD1-CD2 4.1Å; Y134-F247 HydrophobicContact CD1-CE1 4.09Å; Y134-F247 AromaticContact CD1-CE2 3.8Å; Y134-F247 HydrophobicContact CD1-CE2 3.8Å; Y134-F247 HydrophobicContact CD1-CG 4.37Å; Y134-F247 AromaticContact CD1-CZ 3.79Å; Y134-F247 HydrophobicContact CD1-CZ 3.79Å; Y134-F247 HydrophobicContact CE1-CB 4.49Å; Y134-F247 AromaticContact CE1-CD1 3.91Å; Y134-F247 HydrophobicContact CE1-CD1 3.91Å; Y134-F247 HydrophobicContact CE1-CD2 4.02Å; Y134-F247 HydrophobicContact CE1-CE1 4.06Å; Y134-F247 HydrophobicContact CE1-CE2 4.16Å; Y134-F247 AromaticContact CE1-CG 3.89Å; Y134-F247 HydrophobicContact CE1-CG 3.89Å; Y134-F247 HydrophobicContact CE1-CZ 4.18Å; E136-F247 HydrophobicContact CB-CD1 4.1Å; E136-F247 HydrophobicContact CB-CE1 4.48Å; E136-F247 HydrophobicContact CG-CD1 3.68Å; E136-F247 HydrophobicContact CG-CE1 4.31Å; E136-F247 HydrophobicContact CG-CG 4.4Å; E136-F247 WeakPolarHBondContact OE2-CA 3.41Å; N241-F247 HydrophobicContact CB-CD1 4.46Å; N241-F247 HydrophobicContact CB-CE1 4.38Å; N241-F247 WeakPolarHBondContact O-CE1 3.45Å; E245-F247 PolarHBondContact O-N 2.89Å; F247-H249 VanDerWaalsContact C-N 3.26Å; F247-H249 PolarHBondContact O-N 3.32Å; F247-A257 HydrophobicContact CE2-CB 3.72Å; F247-A257 HydrophobicContact CZ-CB 3.74Å | ||
| 248 | K | 93.6 | Very high | 91.9 | Very high | 124 Ų | 124 | 55.6 Ų | 55.6 | 54% | 0.539 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -64.3 | -37.6 | 171.7 | -71.5 | 178.4 | 178.6 | 169.7 | 0 | 110.8 | E136 T138 T191 | E136-K248 PolarHBondContact OE2-N 2.87Å; T138-K248 PolarHBondContact OG1-NZ 2.7Å; T138-K248 VanDerWaalsContact OG1-NZ 3.08Å; T191-K248 HydrophobicContact CG2-CD 4.34Å; T191-K248 WeakPolarHBondContact OG1-CD 3.44Å |
| 249 | H | 94.8 | Very high | 91.9 | Very high | 56 Ų | 56 | 58.2 Ų | 58.2 | 26% | 0.259 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -128.5 | 95.9 | 177 | -53.9 | -73.4 | 0 | 0 | 0 | 109 | Y134 E136 N208 F247 | Y134-H249 PolarHBondContact OH-O 2.75Å; E136-H249 VanDerWaalsContact OE1-CA 3.3Å; E136-H249 WeakPolarHBondContact OE1-CA 3.46Å; E136-H249 WeakPolarHBondContact OE1-CB 3.41Å; E136-H249 IonicContact OE1-CD2 3.85Å; E136-H249 IonicContact OE1-CG 3.54Å; E136-H249 PolarHBondContact OE1-N 2.9Å; N208-H249 WeakPolarHBondContact CA-NE2 3.28Å; N208-H249 PolarHBondContact O-CE1 3.18Å; N208-H249 VanDerWaalsContact O-CE1 3.28Å; N208-H249 PolarHBondContact O-ND1 3.28Å; F247-H249 VanDerWaalsContact C-N 3.26Å; F247-H249 PolarHBondContact O-N 3.32Å |
| 250 | P | 90.5 | Very high | 91.9 | Very high | 97 Ų | 97 | 61.6 Ų | 61.6 | 63% | 0.63 | 36% | 0.359 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 147.6 | -178 | -26.3 | 34.9 | 0 | 0 | 0 | 113.2 | ||
| 251 | P | 88.1 | Confident | 91.7 | Very high | 34 Ų | 34 | 62.1 Ų | 62.1 | 22% | 0.221 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 154.9 | 179.7 | 23.3 | -31 | 0 | 0 | 0 | 112.8 | Y134 Y195 F255 | Y134-P251 HydrophobicContact CD1-CB 3.68Å; Y134-P251 HydrophobicContact CD1-CG 3.78Å; Y134-P251 HydrophobicContact CD2-CB 4.14Å; Y134-P251 HydrophobicContact CE1-CB 4.22Å; Y134-P251 HydrophobicContact CE1-CG 4.36Å; Y134-P251 HydrophobicContact CG-CB 3.61Å; Y134-P251 HydrophobicContact CG-CG 4.15Å; Y195-P251 HydrophobicContact CE1-CB 4.22Å; P251-F255 HydrophobicContact CB-CB 3.83Å |
| 252 | K | 82.5 | Confident | 91.5 | Very high | 99 Ų | 99 | 64.2 Ų | 64.2 | 43% | 0.43 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 155 | 172 | -63 | -177.4 | 176.8 | -169.6 | 0 | 112.3 | Y195 D211 G254 F255 | Y195-K252 HydrophobicContact CE1-CG 4.39Å; D211-K252 VanDerWaalsContact CB-NZ 3.35Å; D211-K252 IonicContact OD1-NZ 3.53Å; D211-K252 IonicContact OD2-NZ 2.83Å; D211-K252 PolarHBondContact OD2-NZ 2.96Å; K252-G254 PolarHBondContact O-N 3.3Å; K252-F255 PolarHBondContact O-N 2.85Å; K252-F255 VanDerWaalsContact O-N 3.12Å |
| 253 | S | 76.5 | Confident | 91.1 | Very high | 133 Ų | 133 | 72.9 Ų | 72.9 | 93% | 0.93 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.5 | 122.2 | 178.8 | -170.2 | 0 | 0 | 0 | 0 | 111.9 | ||
| 254 | G | 87.8 | Confident | 91 | Very high | 57 Ų | 57 | 76.7 Ų | 76.7 | 59% | 0.588 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.8 | -9.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | K252 | K252-G254 PolarHBondContact O-N 3.3Š|
| 255 | F | 94.8 | Very high | 91.4 | Very high | 38 Ų | 38 | 75.8 Ų | 75.8 | 17% | 0.167 | 42% | 0.42 | C | S | . | . | trans | -94.4 | 140.3 | 170.3 | -74.9 | -98.9 | 0 | 0 | 0 | 110.5 | K132 Y133 Y195 D197 P251 K252 | K132-F255 HydrophobicContact CB-CD1 3.78Å; K132-F255 HydrophobicContact CB-CE1 4.01Å; K132-F255 HydrophobicContact CB-CG 4.11Å; Y133-F255 WeakPolarHBondContact O-CD1 3.46Å; Y195-F255 AromaticContact CD1-CD1 3.76Å; Y195-F255 HydrophobicContact CD1-CD1 3.76Å; Y195-F255 HydrophobicContact CD1-CD2 4.12Å; Y195-F255 AromaticContact CD1-CE1 3.83Å; Y195-F255 HydrophobicContact CD1-CE1 3.83Å; Y195-F255 HydrophobicContact CD1-CE2 4.18Å; Y195-F255 AromaticContact CD1-CG 3.9Å; Y195-F255 HydrophobicContact CD1-CG 3.9Å; Y195-F255 HydrophobicContact CD1-CZ 4.04Å; Y195-F255 HydrophobicContact CE1-CD2 4.47Å; Y195-F255 HydrophobicContact CE1-CG 4.37Å; Y195-F255 HydrophobicContact CG-CE1 4.39Å; D197-F255 HydrophobicContact CB-CE1 4.19Å; D197-F255 HydrophobicContact CB-CZ 3.99Å; P251-F255 HydrophobicContact CB-CB 3.83Å; K252-F255 PolarHBondContact O-N 2.85Å; K252-F255 VanDerWaalsContact O-N 3.12Å | ||
| 256 | V | 94.6 | Very high | 91.5 | Very high | 62 Ų | 62 | 72.5 Ų | 72.5 | 38% | 0.376 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 156.3 | 175.5 | -63.1 | 0 | 0 | 0 | 0 | 110.9 | K132 Y133 Y134 | K132-V256 WeakPolarHBondContact O-CG2 3.41Å; K132-V256 PolarHBondContact O-N 2.75Å; Y133-V256 CarbonylContact C-O 3.48Å; Y133-V256 VanDerWaalsContact CA-O 3.31Å; Y133-V256 WeakPolarHBondContact CA-O 3.23Å; Y133-V256 HydrophobicContact CD1-CG2 3.66Å; Y133-V256 HydrophobicContact CE1-CG2 3.58Å; Y134-V256 PolarHBondContact N-O 2.68Å |
| 257 | A | 95.7 | Very high | 91.5 | Very high | 3 Ų | 3 | 68.1 Ų | 68.1 | 3% | 0.025 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 147 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111 | F247 D259 Q260 | F247-A257 HydrophobicContact CE2-CB 3.72Å; F247-A257 HydrophobicContact CZ-CB 3.74Å; A257-D259 WeakPolarHBondContact CB-OD1 3.26Å; A257-D259 PolarHBondContact O-N 3.22Å; A257-Q260 HydrophobicContact CB-CB 4.42Å; A257-Q260 HydrophobicContact CB-CG 4.22Å; A257-Q260 PolarHBondContact O-N 2.67Å |
| 258 | L | 94.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | -57.9 | -37.3 | 176.7 | -94.6 | -179.7 | 0 | 0 | 0 | 112.2 | W91 V128 Y133 Y134 Y135 W149 A229 F242 Q260 A261 | W91-L258 HydrophobicContact CD2-CB 4.49Å; W91-L258 HydrophobicContact CE3-CB 4.2Å; W91-L258 HydrophobicContact CE3-CD1 4.44Å; W91-L258 HydrophobicContact CH2-CD2 3.76Å; W91-L258 HydrophobicContact CZ2-CD2 4.49Å; W91-L258 VanDerWaalsContact CZ2-O 3.25Å; W91-L258 WeakPolarHBondContact CZ2-O 3.48Å; W91-L258 HydrophobicContact CZ3-CB 4.22Å; W91-L258 HydrophobicContact CZ3-CD1 4.11Å; W91-L258 HydrophobicContact CZ3-CD2 3.81Å; W91-L258 HydrophobicContact CZ3-CG 4.3Å; W91-L258 PolarHBondContact NE1-O 3.44Å; V128-L258 HydrophobicContact CG1-CD2 3.63Å; V128-L258 HydrophobicContact CG2-CD2 4.1Å; Y133-L258 HydrophobicContact CD1-CD2 4.37Å; Y133-L258 HydrophobicContact CG-CD2 4.07Å; Y134-L258 PolarHBondContact O-N 2.94Å; Y135-L258 HydrophobicContact CD1-CD1 3.46Å; Y135-L258 VanDerWaalsContact CD1-CD1 3.46Å; Y135-L258 HydrophobicContact CD1-CG 4.35Å; Y135-L258 HydrophobicContact CE1-CD1 4.24Å; Y135-L258 HydrophobicContact CG-CD1 3.94Å; W149-L258 HydrophobicContact CH2-CD1 3.6Å; W149-L258 HydrophobicContact CH2-CD2 3.83Å; W149-L258 HydrophobicContact CH2-CG 3.85Å; W149-L258 HydrophobicContact CZ3-CD1 3.82Å; W149-L258 HydrophobicContact CZ3-CD2 3.98Å; W149-L258 HydrophobicContact CZ3-CG 4.33Å; A229-L258 HydrophobicContact CB-CD1 4.12Å; F242-L258 HydrophobicContact CB-CB 4.29Å; F242-L258 HydrophobicContact CD1-CB 4.25Å; F242-L258 HydrophobicContact CD1-CD1 3.68Å; F242-L258 HydrophobicContact CE1-CD1 4.09Å; F242-L258 PolarHBondContact O-N 2.93Å; F242-L258 VanDerWaalsContact O-N 3.13Å; L258-Q260 PolarHBondContact O-N 3.16Å; L258-A261 WeakPolarHBondContact O-CB 3.35Å; L258-A261 PolarHBondContact O-N 3.47Å; L258-A261 VanDerWaalsContact O-N 3.14Å |
| 259 | D | 93 | Very high | 90.9 | Very high | 57 Ų | 57 | 65.9 Ų | 65.9 | 31% | 0.305 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -71.8 | -17.8 | -178.3 | 79.4 | -23.6 | 0 | 0 | 0 | 115 | W91 F242 G243 G244 A257 A261 | W91-D259 HydrophobicContact CB-CB 4.24Å; W91-D259 HydrophobicContact CG-CB 4.06Å; F242-D259 HydrophobicContact CB-CB 4.42Å; F242-D259 PolarHBondContact O-N 3.03Å; G243-D259 VanDerWaalsContact C-CG 3.46Å; G243-D259 WeakPolarHBondContact CA-OD1 3.18Å; G244-D259 PolarHBondContact N-OD2 3.23Å; G244-D259 VanDerWaalsContact N-OD2 3.14Å; A257-D259 WeakPolarHBondContact CB-OD1 3.26Å; A257-D259 PolarHBondContact O-N 3.22Å; D259-A261 VanDerWaalsContact C-N 3.34Å |
| 260 | Q | 93.6 | Very high | 90.2 | Very high | 131 Ų | 131 | 67 Ų | 67 | 61% | 0.612 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -90.7 | 3.8 | 173.8 | -66 | 171.1 | 18.5 | 0 | 0 | 112.8 | A257 L258 | A257-Q260 HydrophobicContact CB-CB 4.42Å; A257-Q260 HydrophobicContact CB-CG 4.22Å; A257-Q260 PolarHBondContact O-N 2.67Å; L258-Q260 PolarHBondContact O-N 3.16Å |
| 261 | A | 93.4 | Very high | 89.5 | Confident | 12 Ų | 12 | 66.7 Ų | 66.7 | 10% | 0.099 | 38% | 0.378 | C | S | . | . | trans | -59.8 | 129.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | W91 V128 Y133 L258 D259 | W91-A261 HydrophobicContact CZ2-CB 4.11Å; V128-A261 HydrophobicContact CG1-CB 3.86Å; Y133-A261 HydrophobicContact CD1-CB 4.02Å; Y133-A261 HydrophobicContact CE1-CB 3.35Å; L258-A261 WeakPolarHBondContact O-CB 3.35Å; L258-A261 PolarHBondContact O-N 3.47Å; L258-A261 VanDerWaalsContact O-N 3.14Å; D259-A261 VanDerWaalsContact C-N 3.34Å | ||
| 262 | P | 92.9 | Very high | 88.4 | Confident | 59 Ų | 59 | 68.3 Ų | 68.3 | 38% | 0.383 | 39% | 0.387 | S | S | . | . | trans | -57.1 | 147.1 | 174.9 | -25.2 | 34.4 | 0 | 0 | 0 | 111.4 | S264 H265 T266 | P262-S264 PolarHBondContact O-N 2.93Å; P262-H265 PolarHBondContact O-N 2.99Å; P262-T266 PolarHBondContact O-N 2.85Å; P262-T266 PolarHBondContact O-OG1 2.89Å | ||
| 263 | E | 88.3 | Confident | 87.1 | Confident | 185 Ų | 185 | 64.7 Ų | 64.7 | 86% | 0.864 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -57.4 | -34.5 | 177.2 | -68 | -168.2 | 160.9 | 0 | 0 | 111.9 | H265 T266 | E263-H265 PolarHBondContact O-N 2.69Å; E263-T266 PolarHBondContact O-N 3.36Å; E263-T266 VanDerWaalsContact O-N 3.14Å |
| 264 | S | 92.1 | Very high | 85.3 | Confident | 97 Ų | 97 | 64.7 Ų | 64.7 | 68% | 0.678 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -64 | -20.1 | 175.9 | 57.1 | 0 | 0 | 0 | 0 | 114.4 | P262 | P262-S264 PolarHBondContact O-N 2.93Š|
| 265 | H | 93.9 | Very high | 82.7 | Confident | 46 Ų | 46 | 64.9 Ų | 64.9 | 21% | 0.213 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -102.5 | -8.2 | 177.8 | -65.1 | -173.5 | 0 | 0 | 0 | 112.2 | V128 T129 K130 Y133 P262 E263 | V128-H265 CarbonylContact C-O 3.55Å; V128-H265 VanDerWaalsContact CA-O 3.28Å; V128-H265 WeakPolarHBondContact CA-O 3.34Å; T129-H265 PolarHBondContact N-O 2.96Å; T129-H265 PolarHBondContact OG1-O 3.47Å; K130-H265 PolarHBondContact O-ND1 2.71Å; Y133-H265 VanDerWaalsContact OH-CB 3.23Å; Y133-H265 WeakPolarHBondContact OH-CB 3.36Å; Y133-H265 PolarHBondContact OH-ND1 3.39Å; P262-H265 PolarHBondContact O-N 2.99Å; E263-H265 PolarHBondContact O-N 2.69Å |
| 266 | T | 93.1 | Very high | 79.5 | Confident | 34 Ų | 34 | 72.2 Ų | 72.2 | 21% | 0.209 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 138.7 | -172.6 | -57.7 | 0 | 0 | 0 | 0 | 110.8 | W91 K126 G127 P262 E263 | W91-T266 HydrophobicContact CH2-CG2 4.35Å; W91-T266 HydrophobicContact CZ2-CG2 3.8Å; K126-T266 HydrophobicContact CB-CG2 3.92Å; K126-T266 HydrophobicContact CD-CG2 3.6Å; K126-T266 HydrophobicContact CG-CG2 4.09Å; G127-T266 CarbonylContact O-C 3.44Å; G127-T266 WeakPolarHBondContact O-CA 3.42Å; P262-T266 PolarHBondContact O-N 2.85Å; P262-T266 PolarHBondContact O-OG1 2.89Å; E263-T266 PolarHBondContact O-N 3.36Å; E263-T266 VanDerWaalsContact O-N 3.14Å |
| 267 | I | 92.8 | Very high | 76.5 | Confident | 71 Ų | 71 | 73 Ų | 73 | 36% | 0.364 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 138.2 | 173.1 | -173.4 | 169.1 | 0 | 0 | 0 | 109.9 | K126 G127 T129 F228 | K126-I267 CarbonylContact C-O 3.25Å; K126-I267 VanDerWaalsContact CA-O 3.3Å; K126-I267 WeakPolarHBondContact CA-O 3.23Å; G127-I267 PolarHBondContact N-O 3.4Å; G127-I267 PolarHBondContact O-N 3.02Å; T129-I267 HydrophobicContact CG2-CB 4.13Å; T129-I267 HydrophobicContact CG2-CG2 3.86Å; F228-I267 HydrophobicContact CE2-CG2 4.48Å; F228-I267 HydrophobicContact CZ-CG2 3.99Å |
| 268 | K | 90.4 | Very high | 73.3 | Confident | 109 Ų | 109 | 77.5 Ų | 77.5 | 47% | 0.474 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 144.5 | 176.2 | -67.7 | 177.4 | 173 | -170.6 | 0 | 110 | F88 N89 K126 S270 | F88-K268 HydrophobicContact CB-CB 4.45Å; F88-K268 HydrophobicContact CB-CD 3.86Å; F88-K268 HydrophobicContact CB-CG 4.16Å; F88-K268 VanDerWaalsContact O-CE 3.26Å; F88-K268 WeakPolarHBondContact O-CE 3.23Å; N89-K268 PolarHBondContact OD1-NZ 3.42Å; K126-K268 HydrophobicContact CG-CG 4.45Å; K268-S270 PolarHBondContact O-N 2.98Å |
| 269 | S | 86.1 | Confident | 70.3 | Confident | 3 Ų | 3 | 86.2 Ų | 86.2 | 2% | 0.021 | 48% | 0.479 | C | S | . | . | trans | -59.1 | 138.6 | 174.9 | 176.2 | 0 | 0 | 0 | 0 | 110.5 | N94 D97 T125 Q271 T272 | N94-S269 PolarHBondContact ND2-OG 3.11Å; D97-S269 PolarHBondContact OD2-OG 2.81Å; T125-S269 WeakPolarHBondContact O-CB 3.23Å; T125-S269 PolarHBondContact O-N 3.09Å; S269-Q271 VanDerWaalsContact C-N 3.26Å; S269-Q271 PolarHBondContact OG-N 3.05Å; S269-T272 WeakPolarHBondContact O-CG2 3.41Å | ||
| 270 | S | 79.8 | Confident | 67.6 | Low | 80 Ų | 80 | 87.1 Ų | 87.1 | 56% | 0.559 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -74.6 | -19.3 | 174.6 | 55.2 | 0 | 0 | 0 | 0 | 112.5 | K268 T272 | K268-S270 PolarHBondContact O-N 2.98Å; S270-T272 PolarHBondContact O-N 3.28Å |
| 271 | Q | 75.2 | Confident | 65 | Low | 91 Ų | 91 | 89.9 Ų | 89.9 | 43% | 0.425 | 50% | 0.496 | S | S | . | . | trans | -81.6 | 75.1 | 175.2 | -62.7 | -59.5 | -14.5 | 0 | 0 | 109.1 | N94 Y96 D97 S269 G273 | N94-Q271 PolarHBondContact ND2-O 3.41Å; Y96-Q271 WeakPolarHBondContact CB-O 3.36Å; D97-Q271 HydrophobicContact CB-CB 3.74Å; D97-Q271 HydrophobicContact CB-CG 4.17Å; S269-Q271 VanDerWaalsContact C-N 3.26Å; S269-Q271 PolarHBondContact OG-N 3.05Å; Q271-G273 VanDerWaalsContact C-N 3.3Å; Q271-G273 PolarHBondContact O-N 3.07Å | ||
| 272 | T | 65.3 | Low | 63.1 | Low | 67 Ų | 67 | 93.6 Ų | 93.6 | 41% | 0.411 | 53% | 0.527 | S | S | . | . | trans | -86.6 | -0.4 | -173.4 | 52.6 | 0 | 0 | 0 | 0 | 114.6 | F88 S269 S270 | F88-T272 HydrophobicContact CD1-CG2 4.48Å; F88-T272 HydrophobicContact CD2-CG2 4.18Å; F88-T272 HydrophobicContact CE1-CG2 4.11Å; F88-T272 HydrophobicContact CE2-CG2 3.78Å; F88-T272 HydrophobicContact CZ-CG2 3.8Å; S269-T272 WeakPolarHBondContact O-CG2 3.41Å; S270-T272 PolarHBondContact O-N 3.28Å | ||
| 273 | G | 56.2 | Low | 61.7 | Low | 24 Ų | 24 | 92.3 Ų | 92.3 | 25% | 0.247 | 52% | 0.519 | C | S | . | . | trans | 61.3 | 103.2 | -166.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | Q271 A275 | Q271-G273 VanDerWaalsContact C-N 3.3Å; Q271-G273 PolarHBondContact O-N 3.07Å; G273-A275 PolarHBondContact O-N 3.27Å | ||
| 274 | S | 37.5 | Very low | 61.2 | Low | 132 Ų | 132 | 86 Ų | 86 | 92% | 0.923 | 50% | 0.496 | S | S | * | . | trans | -71.9 | 55.4 | 168 | -67.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 275 | A | 34.2 | Very low | 60.8 | Low | 61 Ų | 61 | 83.2 Ų | 83.2 | 50% | 0.504 | 47% | 0.473 | S | S | . | . | trans | -82.6 | 108.8 | 140.7 | 0 | 0 | 0 | 0 | 0 | 104.8 | G273 V277 | G273-A275 PolarHBondContact O-N 3.27Å; A275-V277 HydrophobicContact CB-CG2 4.43Å; A275-V277 PolarHBondContact O-N 3.09Å | ||
| 276 | K | 27.3 | Very low | 60.5 | Low | 193 Ų | 193 | 81.1 Ų | 81.1 | 84% | 0.839 | 46% | 0.464 | S | S | * | . | trans | -50.8 | 100 | 140.3 | -84.1 | -179.1 | 175.7 | 177.2 | 0 | 104.6 | T278 | K276-T278 PolarHBondContact O-N 2.87Å; K276-T278 PolarHBondContact O-OG1 3.21Å | ||
| 277 | V | 32.7 | Very low | 60.6 | Low | 79 Ų | 79 | 79.5 Ų | 79.5 | 48% | 0.479 | 45% | 0.454 | S | S | . | . | trans | -68.8 | 74 | 151.4 | -174.3 | 0 | 0 | 0 | 0 | 103.7 | A275 Q279 | A275-V277 HydrophobicContact CB-CG2 4.43Å; A275-V277 PolarHBondContact O-N 3.09Å; V277-Q279 VanDerWaalsContact C-N 3.31Å; V277-Q279 PolarHBondContact O-N 3.46Å; V277-Q279 VanDerWaalsContact O-N 3.11Å | ||
| 278 | T | 26.7 | Very low | 60.6 | Low | 96 Ų | 96 | 76.7 Ų | 76.7 | 59% | 0.589 | 44% | 0.439 | S | S | * | . | trans | -48.3 | 117.6 | 136.6 | 14.5 | 0 | 0 | 0 | 0 | 103.1 | K276 V280 | K276-T278 PolarHBondContact O-N 2.87Å; K276-T278 PolarHBondContact O-OG1 3.21Å; T278-V280 WeakPolarHBondContact O-CG2 3.32Å; T278-V280 PolarHBondContact O-N 3.35Å | ||
| 279 | Q | 31.5 | Very low | 60.9 | Low | 183 Ų | 183 | 71.5 Ų | 71.5 | 86% | 0.855 | 42% | 0.417 | S | S | * | . | trans | -50.2 | 97 | 153.7 | -77.6 | -177.1 | -17.5 | 0 | 0 | 104.4 | V277 K281 | V277-Q279 VanDerWaalsContact C-N 3.31Å; V277-Q279 PolarHBondContact O-N 3.46Å; V277-Q279 VanDerWaalsContact O-N 3.11Å; Q279-K281 PolarHBondContact O-N 2.82Å | ||
| 280 | V | 36.4 | Very low | 61.5 | Low | 76 Ų | 76 | 71.4 Ų | 71.4 | 46% | 0.461 | 42% | 0.416 | S | S | . | . | trans | -71.1 | 96.6 | 176.9 | -179.8 | 0 | 0 | 0 | 0 | 102.3 | T278 A282 | T278-V280 WeakPolarHBondContact O-CG2 3.32Å; T278-V280 PolarHBondContact O-N 3.35Å; V280-A282 PolarHBondContact O-N 3.11Å | ||
| 281 | K | 39.4 | Very low | 62.4 | Low | 190 Ų | 190 | 67.7 Ų | 67.7 | 83% | 0.826 | 39% | 0.39 | S | S | * | . | trans | -39.8 | 127.6 | 161.8 | -118.1 | -179.2 | 177.6 | -179.3 | 0 | 105.9 | Q279 S283 | Q279-K281 PolarHBondContact O-N 2.82Å; K281-S283 PolarHBondContact O-N 3.44Å | ||
| 282 | A | 52.8 | Low | 63.5 | Low | 89 Ų | 89 | 63.4 Ų | 63.4 | 74% | 0.736 | 37% | 0.37 | S | S | * | . | trans | -46.3 | 105.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 109 | V280 | V280-A282 PolarHBondContact O-N 3.11Š| ||
| 283 | S | 64.4 | Low | 65 | Low | 33 Ų | 33 | 60.2 Ų | 60.2 | 23% | 0.231 | 35% | 0.35 | C | S | . | . | trans | -87 | 125.1 | -178.4 | 55.3 | 0 | 0 | 0 | 0 | 106.3 | K281 N285 A286 | K281-S283 PolarHBondContact O-N 3.44Å; S283-N285 WeakPolarHBondContact CB-OD1 3.37Å; S283-N285 PolarHBondContact O-N 2.91Å; S283-N285 PolarHBondContact OG-OD1 3.13Å; S283-A286 PolarHBondContact O-N 2.86Å; S283-A286 WeakPolarHBondContact OG-CB 3.43Å | ||
| 284 | S | 77.7 | Confident | 66.6 | Low | 52 Ų | 52 | 60.4 Ų | 60.4 | 36% | 0.364 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -25 | -176.6 | 45 | 0 | 0 | 0 | 0 | 113 | L336 E337 G339 V340 | S284-L336 CarbonylContact C-O 3.53Å; S284-L336 VanDerWaalsContact C-O 3.3Å; S284-L336 WeakPolarHBondContact CB-O 3.49Å; S284-E337 WeakPolarHBondContact CB-O 3.28Å; S284-E337 PolarHBondContact OG-O 3.23Å; S284-E337 VanDerWaalsContact OG-O 3.13Å; S284-G339 CarbonylContact O-C 3.51Å; S284-G339 WeakPolarHBondContact O-CA 3.27Å; S284-V340 PolarHBondContact O-N 3.28Å |
| 285 | N | 84.2 | Confident | 69.1 | Low | 38 Ų | 38 | 55.5 Ų | 55.5 | 20% | 0.203 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 18.2 | 179.6 | 73.2 | -26.9 | 0 | 0 | 0 | 115.5 | S283 L336 K358 S360 | S283-N285 WeakPolarHBondContact CB-OD1 3.37Å; S283-N285 PolarHBondContact O-N 2.91Å; S283-N285 PolarHBondContact OG-OD1 3.13Å; N285-L336 HydrophobicContact CB-CB 4.41Å; N285-L336 HydrophobicContact CB-CD2 4.42Å; N285-K358 VanDerWaalsContact CB-O 3.31Å; N285-K358 WeakPolarHBondContact CB-O 3.22Å; N285-K358 PolarHBondContact ND2-O 3.26Å; N285-S360 PolarHBondContact O-N 3.31Å |
| 286 | A | 87.6 | Confident | 71.7 | Confident | 3 Ų | 3 | 56 Ų | 56 | 3% | 0.025 | 30% | 0.303 | C | S | . | . | trans | -118.4 | 94.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | S283 S360 Q363 | S283-A286 PolarHBondContact O-N 2.86Å; S283-A286 WeakPolarHBondContact OG-CB 3.43Å; A286-S360 WeakPolarHBondContact CA-O 3.44Å; A286-Q363 HydrophobicContact CB-CB 3.86Å; A286-Q363 HydrophobicContact CB-CG 3.73Å | ||
| 287 | P | 94.5 | Very high | 74.5 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | trans | -68.6 | 158.4 | 178.6 | 30.7 | -37.6 | 0 | 0 | 0 | 112.3 | V340 D341 V343 L359 S360 Q363 V364 | P287-V340 WeakPolarHBondContact CA-O 3.47Å; P287-V340 HydrophobicContact CB-CG1 4.15Å; P287-D341 WeakPolarHBondContact CB-O 3.23Å; P287-V343 HydrophobicContact CB-CB 4.41Å; P287-V343 HydrophobicContact CB-CG2 3.85Å; P287-V343 HydrophobicContact CG-CB 4.23Å; P287-V343 HydrophobicContact CG-CG2 3.7Å; P287-L359 HydrophobicContact CG-CD1 4.03Å; P287-S360 WeakPolarHBondContact CD-O 3.35Å; P287-Q363 CarbonylContact O-C 3.55Å; P287-V364 HydrophobicContact CG-CG2 4.27Å; P287-V364 WeakPolarHBondContact O-CA 3.04Å; P287-V364 WeakPolarHBondContact O-CG2 3.32Å; P287-V364 PolarHBondContact O-N 3.23Å | ||
| 288 | K | 93.4 | Very high | 77.1 | Confident | 12 Ų | 12 | 47.4 Ų | 47.4 | 5% | 0.052 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -87.1 | -29.1 | 170.9 | -58.2 | -169.3 | -163.1 | -68.1 | 0 | 112.5 | V64 T67 L68 Q71 D341 Q363 R365 F366 | V64-K288 HydrophobicContact CG1-CB 4.19Å; V64-K288 HydrophobicContact CG1-CD 4.22Å; V64-K288 HydrophobicContact CG2-CB 4.06Å; T67-K288 HydrophobicContact CG2-CD 3.88Å; L68-K288 HydrophobicContact CD2-CD 4.49Å; L68-K288 HydrophobicContact CG-CD 4.48Å; Q71-K288 VanDerWaalsContact OE1-NZ 3.09Å; K288-D341 PolarHBondContact N-O 2.96Å; K288-Q363 WeakPolarHBondContact CA-O 3.22Å; K288-R365 PolarHBondContact O-N 3.46Å; K288-F366 PolarHBondContact O-N 2.92Å; K288-F366 VanDerWaalsContact O-N 3.14Å |
| 289 | A | 96.8 | Very high | 80.3 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 136.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V60 V64 D341 I342 V343 F366 | V60-A289 HydrophobicContact CG1-CB 3.58Å; V64-A289 HydrophobicContact CG2-CB 3.98Å; A289-D341 PolarHBondContact N-O 2.88Å; A289-D341 VanDerWaalsContact N-O 3.11Å; A289-I342 HydrophobicContact CB-CG1 4.26Å; A289-I342 HydrophobicContact CB-CG2 4.28Å; A289-V343 PolarHBondContact O-N 3.24Å; A289-F366 WeakPolarHBondContact CA-O 3.37Å; A289-F366 HydrophobicContact CB-CB 4.04Å; A289-F366 HydrophobicContact CB-CD2 4.28Å |
| 290 | L | 98.1 | Very high | 83.2 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 115.7 | 173.7 | 179.3 | 63.7 | 0 | 0 | 0 | 109.4 | I292 V343 L350 L361 V364 F366 L367 V368 I387 | L290-I292 HydrophobicContact CD2-CD1 4.2Å; L290-I292 HydrophobicContact CD2-CG1 4.38Å; L290-I292 HydrophobicContact CG-CD1 4.44Å; L290-I292 HydrophobicContact CG-CG1 4.09Å; L290-V343 HydrophobicContact CD1-CB 4.02Å; L290-V343 HydrophobicContact CD1-CG1 3.74Å; L290-L350 HydrophobicContact CD1-CD1 4.18Å; L290-L350 HydrophobicContact CD1-CD2 3.82Å; L290-L361 HydrophobicContact CD2-CD2 3.95Å; L290-V364 HydrophobicContact CB-CG1 4.14Å; L290-V364 HydrophobicContact CB-CG2 4.34Å; L290-F366 PolarHBondContact N-O 2.98Å; L290-L367 HydrophobicContact CB-CD1 4.4Å; L290-L367 HydrophobicContact CD2-CD1 4.09Å; L290-L367 HydrophobicContact CG-CD1 4.3Å; L290-V368 PolarHBondContact O-N 3.07Å; L290-I387 HydrophobicContact CD2-CG2 3.82Å |
| 291 | I | 98.4 | Very high | 85.7 | Confident | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 121.9 | 177.3 | -58.2 | 160.8 | 0 | 0 | 0 | 108.4 | F56 E293 T302 V306 I342 V343 V344 G345 V368 | F56-I291 HydrophobicContact CE2-CD1 4.08Å; F56-I291 HydrophobicContact CE2-CG1 4.34Å; F56-I291 HydrophobicContact CE2-CG2 4Å; F56-I291 HydrophobicContact CZ-CG2 4.24Å; I291-E293 HydrophobicContact CG2-CG 4.34Å; I291-T302 HydrophobicContact CG2-CG2 4.05Å; I291-V306 HydrophobicContact CD1-CG2 4.34Å; I291-I342 HydrophobicContact CD1-CG2 4.06Å; I291-V343 PolarHBondContact N-O 2.91Å; I291-V344 HydrophobicContact CB-CG1 4.49Å; I291-V344 HydrophobicContact CB-CG2 4.22Å; I291-V344 HydrophobicContact CD1-CG2 3.94Å; I291-V344 HydrophobicContact CG2-CG1 4.39Å; I291-V344 WeakPolarHBondContact O-CA 3.24Å; I291-G345 PolarHBondContact O-N 3.29Å; I291-V368 HydrophobicContact CB-CB 4.28Å; I291-V368 HydrophobicContact CG1-CB 3.92Å; I291-V368 HydrophobicContact CG1-CG2 3.94Å; I291-V368 HydrophobicContact CG2-CB 4.2Å; I291-V368 HydrophobicContact CG2-CG1 4.34Å |
| 292 | I | 98.2 | Very high | 88.3 | Confident | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 126.3 | -176 | -54.3 | -178.5 | 0 | 0 | 0 | 109.3 | L290 G345 P347 L350 L367 V368 L369 D370 L375 F383 | L290-I292 HydrophobicContact CD2-CD1 4.2Å; L290-I292 HydrophobicContact CD2-CG1 4.38Å; L290-I292 HydrophobicContact CG-CD1 4.44Å; L290-I292 HydrophobicContact CG-CG1 4.09Å; I292-G345 WeakPolarHBondContact CA-O 3.43Å; I292-P347 HydrophobicContact CG2-CG 3.87Å; I292-L350 HydrophobicContact CG1-CD1 4.08Å; I292-L350 HydrophobicContact CG2-CD1 4.5Å; I292-L367 HydrophobicContact CD1-CD1 3.83Å; I292-L367 HydrophobicContact CG1-CD1 4.34Å; I292-V368 PolarHBondContact N-O 2.85Å; I292-L369 HydrophobicContact CB-CD2 4.04Å; I292-L369 HydrophobicContact CD1-CD2 3.82Å; I292-L369 HydrophobicContact CG1-CD2 4.24Å; I292-D370 PolarHBondContact O-N 3.14Å; I292-L375 HydrophobicContact CG2-CD1 4.09Å; I292-L375 HydrophobicContact CG2-CD2 3.94Å; I292-F383 HydrophobicContact CD1-CE1 4.06Å; I292-F383 HydrophobicContact CG2-CE1 4.3Å |
| 293 | E | 96.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | -124.3 | 141 | -174 | -66.7 | -78.4 | -175.5 | 0 | 0 | 109.7 | I291 S295 L298 A299 T302 V344 G345 P347 | I291-E293 HydrophobicContact CG2-CG 4.34Å; E293-S295 PolarHBondContact O-N 3.32Å; E293-L298 HydrophobicContact CB-CB 4.42Å; E293-A299 HydrophobicContact CB-CB 3.88Å; E293-A299 HydrophobicContact CG-CB 4.22Å; E293-T302 VanDerWaalsContact OE1-CB 3.22Å; E293-T302 WeakPolarHBondContact OE1-CB 3.37Å; E293-T302 WeakPolarHBondContact OE1-CG2 3.42Å; E293-T302 PolarHBondContact OE1-OG1 2.69Å; E293-V344 HydrophobicContact CG-CG1 4.15Å; E293-G345 PolarHBondContact N-O 2.79Å; E293-P347 WeakPolarHBondContact O-CD 3.41Å | ||
| 294 | P | 90.9 | Very high | 91.9 | Very high | 27 Ų | 27 | 28 Ų | 28 | 18% | 0.175 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -75.2 | -24 | -173.2 | 29.3 | -35 | 0 | 0 | 0 | 113.6 | L298 E371 L375 | P294-L298 HydrophobicContact CG-CD1 3.77Å; P294-E371 HydrophobicContact CG-CB 3.73Å; P294-L375 HydrophobicContact CB-CD2 3.87Å; P294-L375 HydrophobicContact CB-CG 4.04Å |
| 295 | S | 89.4 | Confident | 92.6 | Very high | 30 Ų | 30 | 27 Ų | 27 | 21% | 0.21 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -128.1 | 160.5 | -177.8 | 81 | 0 | 0 | 0 | 0 | 112.1 | E293 E297 L298 A299 T346 | E293-S295 PolarHBondContact O-N 3.32Å; S295-E297 VanDerWaalsContact C-N 3.33Å; S295-L298 WeakPolarHBondContact OG-CB 3.27Å; S295-L298 VanDerWaalsContact OG-CG 3.32Å; S295-L298 WeakPolarHBondContact OG-CG 3.46Å; S295-L298 PolarHBondContact OG-N 3.24Å; S295-A299 WeakPolarHBondContact O-CB 3.33Å; S295-A299 PolarHBondContact O-N 3.44Å; S295-A299 VanDerWaalsContact O-N 3.13Å; S295-T346 VanDerWaalsContact C-CG2 3.43Å; S295-T346 VanDerWaalsContact O-CG2 3.26Å; S295-T346 WeakPolarHBondContact O-CG2 3.29Å |
| 296 | K | 88.8 | Confident | 93.2 | Very high | 71 Ų | 71 | 25.2 Ų | 25.2 | 31% | 0.309 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -70.1 | -37.1 | 179.8 | -61.2 | -177.3 | -173.7 | 178.7 | 0 | 111.2 | A299 E300 I324 G325 T346 | K296-A299 PolarHBondContact O-N 2.93Å; K296-E300 WeakPolarHBondContact O-CG 3.43Å; K296-E300 PolarHBondContact O-N 2.88Å; K296-I324 HydrophobicContact CB-CB 4.42Å; K296-I324 HydrophobicContact CB-CD1 4.29Å; K296-I324 HydrophobicContact CB-CG2 4.4Å; K296-I324 HydrophobicContact CG-CB 4.15Å; K296-I324 HydrophobicContact CG-CG2 4.46Å; K296-G325 VanDerWaalsContact CD-O 3.32Å; K296-G325 WeakPolarHBondContact CD-O 3.3Å; K296-G325 WeakPolarHBondContact CE-O 3.13Å; K296-G325 VanDerWaalsContact NZ-C 3.3Å; K296-G325 PolarHBondContact NZ-O 2.7Å; K296-T346 HydrophobicContact CG-CG2 4.25Å |
| 297 | E | 86.6 | Confident | 93.6 | Very high | 78 Ų | 78 | 29.3 Ų | 29.3 | 36% | 0.364 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -65.5 | -42.4 | -178.7 | -63.9 | 72.4 | -161.8 | 0 | 0 | 110.8 | S295 E300 Q301 R554 | S295-E297 VanDerWaalsContact C-N 3.33Å; E297-E300 PolarHBondContact O-N 2.89Å; E297-Q301 PolarHBondContact O-N 2.86Å; E297-R554 IonicContact OE1-CZ 2.7Å; E297-R554 IonicContact OE1-NH1 3.98Å; E297-R554 PolarHBondContact OE1-NH1 3.04Å; E297-R554 IonicContact OE1-NH2 3.29Å; E297-R554 PolarHBondContact OE1-NH2 3.02Å; E297-R554 IonicContact OE2-NH1 3.84Å |
| 298 | L | 87.1 | Confident | 93.6 | Very high | 14 Ų | 14 | 33.7 Ų | 33.7 | 7% | 0.073 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.2 | -44 | 173.6 | -73.8 | 171.9 | 0 | 0 | 0 | 111.8 | E293 P294 S295 E300 Q301 T302 E371 | E293-L298 HydrophobicContact CB-CB 4.42Å; P294-L298 HydrophobicContact CG-CD1 3.77Å; S295-L298 WeakPolarHBondContact OG-CB 3.27Å; S295-L298 VanDerWaalsContact OG-CG 3.32Å; S295-L298 WeakPolarHBondContact OG-CG 3.46Å; S295-L298 PolarHBondContact OG-N 3.24Å; L298-E300 VanDerWaalsContact C-N 3.3Å; L298-E300 PolarHBondContact O-N 3.38Å; L298-Q301 WeakPolarHBondContact O-CB 3.22Å; L298-Q301 PolarHBondContact O-N 2.89Å; L298-Q301 VanDerWaalsContact O-N 3.09Å; L298-T302 PolarHBondContact O-N 3.21Å; L298-T302 PolarHBondContact O-OG1 2.98Å; L298-E371 VanDerWaalsContact CD1-CD 3.45Å; L298-E371 HydrophobicContact CD1-CG 4.24Å; L298-E371 WeakPolarHBondContact CD1-OE2 3.47Å |
| 299 | A | 93.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.3 | -41.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | E293 S295 K296 F303 L322 I324 V344 T346 | E293-A299 HydrophobicContact CB-CB 3.88Å; E293-A299 HydrophobicContact CG-CB 4.22Å; S295-A299 WeakPolarHBondContact O-CB 3.33Å; S295-A299 PolarHBondContact O-N 3.44Å; S295-A299 VanDerWaalsContact O-N 3.13Å; K296-A299 PolarHBondContact O-N 2.93Å; A299-F303 WeakPolarHBondContact O-CB 3.45Å; A299-F303 PolarHBondContact O-N 2.99Å; A299-L322 HydrophobicContact CB-CD1 3.83Å; A299-L322 WeakPolarHBondContact O-CD1 3.42Å; A299-I324 HydrophobicContact CB-CG2 3.67Å; A299-V344 HydrophobicContact CB-CG1 4.26Å; A299-V344 WeakPolarHBondContact O-CG1 3.32Å; A299-T346 HydrophobicContact CB-CG2 4.17Å |
| 300 | E | 92.4 | Very high | 93.5 | Very high | 79 Ų | 79 | 34 Ų | 34 | 37% | 0.369 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -63.3 | -42.5 | 173.8 | -77.7 | 175.2 | -176 | 0 | 0 | 112.1 | K296 E297 L298 N304 L322 I324 | K296-E300 WeakPolarHBondContact O-CG 3.43Å; K296-E300 PolarHBondContact O-N 2.88Å; E297-E300 PolarHBondContact O-N 2.89Å; L298-E300 VanDerWaalsContact C-N 3.3Å; L298-E300 PolarHBondContact O-N 3.38Å; E300-N304 WeakPolarHBondContact O-CB 3.14Å; E300-N304 VanDerWaalsContact O-CG 3.22Å; E300-N304 PolarHBondContact O-N 3.35Å; E300-N304 PolarHBondContact O-ND2 2.71Å; E300-L322 HydrophobicContact CG-CD2 3.65Å; E300-I324 HydrophobicContact CG-CD1 3.99Å; E300-I324 VanDerWaalsContact OE1-CD1 3.3Å; E300-I324 WeakPolarHBondContact OE1-CD1 3.28Å |
| 301 | Q | 88.6 | Confident | 93.3 | Very high | 75 Ų | 75 | 40.1 Ų | 40.1 | 35% | 0.35 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63.8 | -51.8 | 178.1 | -176.9 | 174.5 | -3 | 0 | 0 | 111.7 | E297 L298 F303 N304 N305 | E297-Q301 PolarHBondContact O-N 2.86Å; L298-Q301 WeakPolarHBondContact O-CB 3.22Å; L298-Q301 PolarHBondContact O-N 2.89Å; L298-Q301 VanDerWaalsContact O-N 3.09Å; Q301-F303 VanDerWaalsContact C-N 3.3Å; Q301-F303 PolarHBondContact O-N 3.3Å; Q301-N304 PolarHBondContact O-N 3.23Å; Q301-N304 VanDerWaalsContact O-N 3.16Å; Q301-N305 PolarHBondContact O-N 3.02Å |
| 302 | T | 95.3 | Very high | 93 | Very high | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.012 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.1 | -41.5 | 177.2 | -64.9 | 0 | 0 | 0 | 0 | 111.3 | T53 F56 I291 E293 L298 N304 N305 V306 V344 | T53-T302 HydrophobicContact CG2-CG2 3.93Å; F56-T302 HydrophobicContact CE2-CG2 4.18Å; F56-T302 HydrophobicContact CZ-CG2 3.98Å; I291-T302 HydrophobicContact CG2-CG2 4.05Å; E293-T302 VanDerWaalsContact OE1-CB 3.22Å; E293-T302 WeakPolarHBondContact OE1-CB 3.37Å; E293-T302 WeakPolarHBondContact OE1-CG2 3.42Å; E293-T302 PolarHBondContact OE1-OG1 2.69Å; L298-T302 PolarHBondContact O-N 3.21Å; L298-T302 PolarHBondContact O-OG1 2.98Å; T302-N304 PolarHBondContact O-N 3.42Å; T302-N305 PolarHBondContact O-N 2.95Å; T302-V306 WeakPolarHBondContact O-CG2 3.45Å; T302-V306 PolarHBondContact O-N 3.24Å; T302-V344 HydrophobicContact CG2-CG1 4.03Å; T302-V344 HydrophobicContact CG2-CG2 4.4Å |
| 303 | F | 97 | Very high | 92.7 | Very high | 22 Ų | 22 | 42 Ų | 42 | 10% | 0.096 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.6 | -39.8 | 175.6 | 179 | -104.2 | 0 | 0 | 0 | 113.4 | A299 Q301 V306 K307 E320 L321 L322 V344 | A299-F303 WeakPolarHBondContact O-CB 3.45Å; A299-F303 PolarHBondContact O-N 2.99Å; Q301-F303 VanDerWaalsContact C-N 3.3Å; Q301-F303 PolarHBondContact O-N 3.3Å; F303-V306 PolarHBondContact O-N 2.89Å; F303-K307 HydrophobicContact CD1-CD 4.35Å; F303-K307 HydrophobicContact CE1-CD 3.97Å; F303-K307 VanDerWaalsContact CE1-NZ 3.28Å; F303-K307 HydrophobicContact CZ-CD 4.38Å; F303-K307 PolarHBondContact O-N 3.42Å; F303-K307 VanDerWaalsContact O-N 3.08Å; F303-E320 HydrophobicContact CD2-CG 4.09Å; F303-E320 HydrophobicContact CE2-CB 4.02Å; F303-E320 HydrophobicContact CE2-CG 3.41Å; F303-E320 VanDerWaalsContact CE2-CG 3.41Å; F303-E320 HydrophobicContact CZ-CG 3.91Å; F303-L321 VanDerWaalsContact CE2-C 3.48Å; F303-L322 HydrophobicContact CB-CB 4.49Å; F303-L322 HydrophobicContact CB-CD1 3.93Å; F303-L322 HydrophobicContact CD1-CB 4.02Å; F303-L322 HydrophobicContact CD1-CD2 4.27Å; F303-L322 HydrophobicContact CD2-CB 3.76Å; F303-L322 HydrophobicContact CE1-CB 4.05Å; F303-L322 HydrophobicContact CE2-CB 3.8Å; F303-L322 VanDerWaalsContact CE2-N 3.3Å; F303-L322 HydrophobicContact CG-CB 3.85Å; F303-L322 HydrophobicContact CG-CD1 4.23Å; F303-L322 HydrophobicContact CG-CG 4.41Å; F303-L322 HydrophobicContact CZ-CB 3.95Å; F303-V344 HydrophobicContact CB-CB 4.29Å; F303-V344 HydrophobicContact CB-CG1 4.4Å; F303-V344 HydrophobicContact CB-CG2 4.41Å; F303-V344 HydrophobicContact CD2-CB 4.44Å; F303-V344 HydrophobicContact CD2-CG2 4.38Å |
| 304 | N | 94.8 | Very high | 92.2 | Very high | 82 Ų | 82 | 49.5 Ų | 49.5 | 44% | 0.439 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -68.7 | -38.6 | 175.3 | -70.6 | -33.4 | 0 | 0 | 0 | 112 | E300 Q301 T302 K307 Q308 | E300-N304 WeakPolarHBondContact O-CB 3.14Å; E300-N304 VanDerWaalsContact O-CG 3.22Å; E300-N304 PolarHBondContact O-N 3.35Å; E300-N304 PolarHBondContact O-ND2 2.71Å; Q301-N304 PolarHBondContact O-N 3.23Å; Q301-N304 VanDerWaalsContact O-N 3.16Å; T302-N304 PolarHBondContact O-N 3.42Å; N304-K307 WeakPolarHBondContact O-CB 3.49Å; N304-K307 PolarHBondContact O-N 3.36Å; N304-Q308 WeakPolarHBondContact O-CG 3.44Å; N304-Q308 PolarHBondContact O-N 3.47Å |
| 305 | N | 93.6 | Very high | 91.9 | Very high | 29 Ų | 29 | 53.3 Ų | 53.3 | 16% | 0.155 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.5 | -46 | 173.5 | -71.1 | -12.3 | 0 | 0 | 0 | 111 | T53 Q301 T302 K307 Q308 F309 | T53-N305 HydrophobicContact CG2-CB 4.14Å; T53-N305 WeakPolarHBondContact CG2-ND2 3.22Å; Q301-N305 PolarHBondContact O-N 3.02Å; T302-N305 PolarHBondContact O-N 2.95Å; N305-K307 VanDerWaalsContact C-N 3.27Å; N305-K307 PolarHBondContact O-N 2.84Å; N305-Q308 PolarHBondContact O-N 2.93Å; N305-F309 HydrophobicContact CB-CD2 4.36Å; N305-F309 HydrophobicContact CB-CE2 3.75Å; N305-F309 HydrophobicContact CB-CZ 4.15Å; N305-F309 WeakPolarHBondContact O-CD2 3.43Å; N305-F309 VanDerWaalsContact O-CG 3.27Å; N305-F309 WeakPolarHBondContact O-CG 3.38Å; N305-F309 PolarHBondContact O-N 3.44Å |
| 306 | V | 96.4 | Very high | 91.7 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -55.7 | -43.4 | 175.3 | 167.9 | 0 | 0 | 0 | 0 | 111 | I61 I291 T302 F303 K310 E320 I342 V344 | I61-V306 HydrophobicContact CD1-CB 4.38Å; I61-V306 HydrophobicContact CD1-CG1 4.09Å; I61-V306 HydrophobicContact CD1-CG2 4.44Å; I61-V306 HydrophobicContact CG1-CG1 4.35Å; I291-V306 HydrophobicContact CD1-CG2 4.34Å; T302-V306 WeakPolarHBondContact O-CG2 3.45Å; T302-V306 PolarHBondContact O-N 3.24Å; F303-V306 PolarHBondContact O-N 2.89Å; V306-K310 WeakPolarHBondContact O-CG 3.33Å; V306-K310 PolarHBondContact O-N 2.85Å; V306-E320 HydrophobicContact CG1-CB 4.36Å; V306-I342 HydrophobicContact CG1-CD1 4.34Å; V306-V344 HydrophobicContact CG2-CG2 4.45Å |
| 307 | K | 95.5 | Very high | 91.8 | Very high | 90 Ų | 90 | 56.8 Ų | 56.8 | 39% | 0.391 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.7 | -40.1 | 175.5 | -81.8 | -179.3 | 169.9 | -176.9 | 0 | 113.7 | F303 N304 N305 K310 K311 E320 | F303-K307 HydrophobicContact CD1-CD 4.35Å; F303-K307 HydrophobicContact CE1-CD 3.97Å; F303-K307 VanDerWaalsContact CE1-NZ 3.28Å; F303-K307 HydrophobicContact CZ-CD 4.38Å; F303-K307 PolarHBondContact O-N 3.42Å; F303-K307 VanDerWaalsContact O-N 3.08Å; N304-K307 WeakPolarHBondContact O-CB 3.49Å; N304-K307 PolarHBondContact O-N 3.36Å; N305-K307 VanDerWaalsContact C-N 3.27Å; N305-K307 PolarHBondContact O-N 2.84Å; K307-K310 WeakPolarHBondContact O-CG 3.13Å; K307-K311 PolarHBondContact O-N 3.18Å; K307-E320 WeakPolarHBondContact CE-OE1 3.44Å; K307-E320 HydrophobicContact CG-CG 4.13Å; K307-E320 WeakPolarHBondContact CG-OE1 3.47Å |
| 308 | Q | 94 | Very high | 92 | Very high | 91 Ų | 91 | 53.1 Ų | 53.1 | 43% | 0.425 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -69.8 | -49.3 | 179.6 | -71.6 | 174.4 | -15.9 | 0 | 0 | 110.9 | M20 N304 N305 K310 K311 | M20-Q308 HydrophobicContact CE-CB 4.25Å; M20-Q308 HydrophobicContact SD-CB 3.69Å; N304-Q308 WeakPolarHBondContact O-CG 3.44Å; N304-Q308 PolarHBondContact O-N 3.47Å; N305-Q308 PolarHBondContact O-N 2.93Å; Q308-K310 VanDerWaalsContact C-N 3.26Å; Q308-K310 PolarHBondContact O-N 3.21Å; Q308-K311 WeakPolarHBondContact O-CB 3.33Å; Q308-K311 PolarHBondContact O-N 3.32Å; Q308-K311 VanDerWaalsContact O-N 3.12Å |
| 309 | F | 94.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.8 | -32 | -178 | -60.3 | -36.9 | 0 | 0 | 0 | 113.6 | A16 V17 M20 W22 I58 I61 N305 | A16-F309 WeakPolarHBondContact CB-O 3.43Å; V17-F309 HydrophobicContact CG2-CD1 3.95Å; V17-F309 HydrophobicContact CG2-CE1 4.32Å; M20-F309 HydrophobicContact CE-CD1 4.47Å; M20-F309 HydrophobicContact CE-CE1 3.83Å; M20-F309 HydrophobicContact SD-CD1 3.85Å; M20-F309 HydrophobicContact SD-CE1 3.75Å; W22-F309 HydrophobicContact CE3-CE1 4.49Å; W22-F309 AromaticContact CH2-CE1 3.96Å; W22-F309 HydrophobicContact CH2-CE1 3.96Å; W22-F309 AromaticContact CH2-CZ 3.69Å; W22-F309 HydrophobicContact CH2-CZ 3.69Å; W22-F309 AromaticContact CZ3-CE1 3.9Å; W22-F309 HydrophobicContact CZ3-CE1 3.9Å; W22-F309 AromaticContact CZ3-CZ 3.89Å; W22-F309 HydrophobicContact CZ3-CZ 3.89Å; I58-F309 HydrophobicContact CG1-CD1 4.34Å; I58-F309 HydrophobicContact CG1-CD2 4.17Å; I58-F309 HydrophobicContact CG1-CE2 4.42Å; I58-F309 HydrophobicContact CG1-CG 4.13Å; I61-F309 HydrophobicContact CD1-CB 3.68Å; I61-F309 HydrophobicContact CD1-CD2 4.23Å; I61-F309 HydrophobicContact CD1-CG 4.48Å; N305-F309 HydrophobicContact CB-CD2 4.36Å; N305-F309 HydrophobicContact CB-CE2 3.75Å; N305-F309 HydrophobicContact CB-CZ 4.15Å; N305-F309 WeakPolarHBondContact O-CD2 3.43Å; N305-F309 VanDerWaalsContact O-CG 3.27Å; N305-F309 WeakPolarHBondContact O-CG 3.38Å; N305-F309 PolarHBondContact O-N 3.44Å |
| 310 | K | 94.3 | Very high | 92.4 | Very high | 18 Ų | 18 | 60 Ų | 60 | 8% | 0.078 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 1 | 179.6 | 73.6 | 179 | -113 | 163.4 | 0 | 114.7 | I61 V306 K307 Q308 N312 V313 L318 E320 | I61-K310 HydrophobicContact CG2-CB 3.96Å; V306-K310 WeakPolarHBondContact O-CG 3.33Å; V306-K310 PolarHBondContact O-N 2.85Å; K307-K310 WeakPolarHBondContact O-CG 3.13Å; Q308-K310 VanDerWaalsContact C-N 3.26Å; Q308-K310 PolarHBondContact O-N 3.21Å; K310-N312 PolarHBondContact O-N 2.94Å; K310-N312 VanDerWaalsContact O-N 3.09Å; K310-V313 WeakPolarHBondContact O-CB 3.5Å; K310-V313 PolarHBondContact O-N 3.41Å; K310-L318 HydrophobicContact CB-CD1 4.33Å; K310-L318 HydrophobicContact CD-CB 4.38Å; K310-L318 VanDerWaalsContact NZ-CB 3.31Å; K310-L318 PolarHBondContact NZ-O 3.17Å; K310-E320 WeakPolarHBondContact CE-OE2 3.34Å; K310-E320 IonicContact NZ-OE2 3.84Å; K310-E320 PolarHBondContact NZ-OE2 3.43Å |
| 311 | K | 93.6 | Very high | 92.6 | Very high | 130 Ų | 130 | 56.8 Ų | 56.8 | 57% | 0.565 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | -38 | -168.1 | 178.1 | -173 | 168.3 | -160.4 | 0 | 113.2 | E19 K307 Q308 | E19-K311 IonicContact OE2-NZ 2.71Å; E19-K311 PolarHBondContact OE2-NZ 3.44Å; K307-K311 PolarHBondContact O-N 3.18Å; Q308-K311 WeakPolarHBondContact O-CB 3.33Å; Q308-K311 PolarHBondContact O-N 3.32Å; Q308-K311 VanDerWaalsContact O-N 3.12Å |
| 312 | N | 92.4 | Very high | 93 | Very high | 37 Ų | 37 | 54.5 Ų | 54.5 | 20% | 0.198 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 7.3 | -177.2 | -60.5 | -26 | 0 | 0 | 0 | 113.2 | E12 A16 E19 K310 | E12-N312 HydrophobicContact CB-CB 4.22Å; E12-N312 WeakPolarHBondContact O-CB 3.35Å; A16-N312 PolarHBondContact N-ND2 3.42Å; E19-N312 PolarHBondContact OE1-ND2 3.04Å; K310-N312 PolarHBondContact O-N 2.94Å; K310-N312 VanDerWaalsContact O-N 3.09Å |
| 313 | V | 91.6 | Very high | 93.1 | Very high | 6 Ų | 6 | 54.4 Ų | 54.4 | 4% | 0.036 | 25% | 0.254 | C | S | . | . | trans | -97.1 | 99.2 | -179.5 | -176.9 | 0 | 0 | 0 | 0 | 110.1 | M10 E12 I13 Y65 K310 L318 | M10-V313 HydrophobicContact CE-CG2 4.42Å; E12-V313 HydrophobicContact CB-CG2 4.19Å; I13-V313 HydrophobicContact CG1-CG2 3.8Å; Y65-V313 HydrophobicContact CD1-CG1 4.33Å; Y65-V313 HydrophobicContact CD2-CG1 3.2Å; Y65-V313 HydrophobicContact CE2-CG1 3.41Å; Y65-V313 VanDerWaalsContact CE2-CG1 3.41Å; Y65-V313 HydrophobicContact CG-CG1 3.68Å; K310-V313 WeakPolarHBondContact O-CB 3.5Å; K310-V313 PolarHBondContact O-N 3.41Å; V313-L318 HydrophobicContact CG1-CD1 4.22Å | ||
| 314 | E | 86.1 | Confident | 92.9 | Very high | 157 Ų | 157 | 53.5 Ų | 53.5 | 73% | 0.734 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.9 | -28.9 | -168.9 | -63.6 | -163.3 | 157.7 | 0 | 0 | 116.4 | P316 K317 | E314-P316 CarbonylContact O-C 3.5Å; E314-K317 WeakPolarHBondContact O-CA 3.38Å; E314-K317 PolarHBondContact O-N 3Å |
| 315 | N | 83.9 | Confident | 92.5 | Very high | 107 Ų | 107 | 50.8 Ų | 50.8 | 57% | 0.572 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -137.4 | 98.2 | -171.7 | -173.6 | 31.5 | 0 | 0 | 0 | 114 | Y65 | Y65-N315 WeakPolarHBondContact CE2-O 3.26Å; Y65-N315 PolarHBondContact OH-O 3.35Å; Y65-N315 VanDerWaalsContact OH-O 3.06Å |
| 316 | P | 86.4 | Confident | 91.9 | Very high | 18 Ų | 18 | 53.3 Ų | 53.3 | 12% | 0.117 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -75.6 | 147.2 | 3 | 27.5 | -33.6 | 0 | 0 | 0 | 113.7 | Y65 L68 K69 E314 L318 | Y65-P316 HydrophobicContact CD2-CG 4.18Å; Y65-P316 VanDerWaalsContact CE2-CD 3.45Å; Y65-P316 HydrophobicContact CE2-CG 4.25Å; L68-P316 HydrophobicContact CB-CB 4.32Å; L68-P316 HydrophobicContact CB-CG 3.46Å; L68-P316 VanDerWaalsContact CB-CG 3.46Å; K69-P316 HydrophobicContact CB-CG 4.38Å; E314-P316 CarbonylContact O-C 3.5Å; P316-L318 PolarHBondContact O-N 3.31Å |
| 317 | K | 89.4 | Confident | 91.3 | Very high | 156 Ų | 156 | 55.9 Ų | 55.9 | 68% | 0.678 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | 112.4 | 175.2 | -174 | 169.4 | -174.3 | 169.2 | 0 | 110.3 | E314 | E314-K317 WeakPolarHBondContact O-CA 3.38Å; E314-K317 PolarHBondContact O-N 3Å |
| 318 | L | 92.3 | Very high | 90.6 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | trans | -61.7 | 153.2 | 172.7 | -73.6 | 171.7 | 0 | 0 | 0 | 111.3 | I61 V64 L68 K310 V313 P316 D341 | I61-L318 HydrophobicContact CG2-CD1 3.65Å; V64-L318 HydrophobicContact CB-CD2 4.35Å; V64-L318 HydrophobicContact CG1-CD2 3.58Å; L68-L318 HydrophobicContact CD1-CD2 3.58Å; K310-L318 HydrophobicContact CB-CD1 4.33Å; K310-L318 HydrophobicContact CD-CB 4.38Å; K310-L318 VanDerWaalsContact NZ-CB 3.31Å; K310-L318 PolarHBondContact NZ-O 3.17Å; V313-L318 HydrophobicContact CG1-CD1 4.22Å; P316-L318 PolarHBondContact O-N 3.31Å; L318-D341 HydrophobicContact CD2-CB 4.21Å | ||
| 319 | R | 93.5 | Very high | 90 | Very high | 119 Ų | 119 | 51.4 Ų | 51.4 | 45% | 0.449 | 29% | 0.285 | S | S | . | . | trans | -132.8 | 134.1 | 174.1 | -55.7 | 178.8 | -156.6 | -177.1 | 13.4 | 111.3 | Q338 G339 D341 I342 | R319-Q338 PolarHBondContact NH1-O 2.97Å; R319-G339 WeakPolarHBondContact CD-O 3.49Å; R319-D341 PolarHBondContact N-OD2 2.86Å; R319-D341 WeakPolarHBondContact O-CA 3.18Å; R319-D341 WeakPolarHBondContact O-CB 3.37Å; R319-D341 PolarHBondContact O-N 2.91Å; R319-I342 PolarHBondContact O-N 2.91Å | ||
| 320 | E | 95 | Very high | 89.5 | Confident | 39 Ų | 39 | 59.9 Ų | 59.9 | 18% | 0.182 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 145.7 | -173.7 | 72.6 | -69.4 | 177.4 | 0 | 0 | 110.8 | F303 V306 K307 K310 I342 | F303-E320 HydrophobicContact CD2-CG 4.09Å; F303-E320 HydrophobicContact CE2-CB 4.02Å; F303-E320 HydrophobicContact CE2-CG 3.41Å; F303-E320 VanDerWaalsContact CE2-CG 3.41Å; F303-E320 HydrophobicContact CZ-CG 3.91Å; V306-E320 HydrophobicContact CG1-CB 4.36Å; K307-E320 WeakPolarHBondContact CE-OE1 3.44Å; K307-E320 HydrophobicContact CG-CG 4.13Å; K307-E320 WeakPolarHBondContact CG-OE1 3.47Å; K310-E320 WeakPolarHBondContact CE-OE2 3.34Å; K310-E320 IonicContact NZ-OE2 3.84Å; K310-E320 PolarHBondContact NZ-OE2 3.43Å; E320-I342 CarbonylContact C-O 3.57Å; E320-I342 WeakPolarHBondContact CA-O 3.5Å; E320-I342 HydrophobicContact CB-CB 4.38Å |
| 321 | L | 96.6 | Very high | 89.2 | Confident | 11 Ų | 11 | 64.9 Ų | 64.9 | 6% | 0.058 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 134.4 | 176.8 | 176.7 | 62.3 | 0 | 0 | 0 | 111.5 | F303 V323 V335 L336 V340 I342 V343 V344 | F303-L321 VanDerWaalsContact CE2-C 3.48Å; L321-V323 HydrophobicContact CD2-CG2 3.83Å; L321-V323 HydrophobicContact CG-CG2 3.83Å; L321-V335 HydrophobicContact CB-CG1 4.38Å; L321-V335 HydrophobicContact CD1-CB 3.88Å; L321-V335 HydrophobicContact CD1-CG1 3.88Å; L321-V335 HydrophobicContact CD1-CG2 4.32Å; L321-L336 HydrophobicContact CD2-CD1 4.25Å; L321-L336 HydrophobicContact CD2-CD2 3.56Å; L321-L336 HydrophobicContact CD2-CG 3.53Å; L321-V340 HydrophobicContact CB-CG2 3.69Å; L321-I342 PolarHBondContact N-O 3.47Å; L321-V343 HydrophobicContact CB-CG2 4.36Å; L321-V343 WeakPolarHBondContact O-CA 3.37Å; L321-V344 PolarHBondContact O-N 3.36Å |
| 322 | L | 97.1 | Very high | 88.9 | Confident | 28 Ų | 28 | 58.9 Ų | 58.9 | 15% | 0.147 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 120.1 | 170.1 | -178 | 64.4 | 0 | 0 | 0 | 110.7 | A299 E300 F303 I324 V344 | A299-L322 HydrophobicContact CB-CD1 3.83Å; A299-L322 WeakPolarHBondContact O-CD1 3.42Å; E300-L322 HydrophobicContact CG-CD2 3.65Å; F303-L322 HydrophobicContact CB-CB 4.49Å; F303-L322 HydrophobicContact CB-CD1 3.93Å; F303-L322 HydrophobicContact CD1-CB 4.02Å; F303-L322 HydrophobicContact CD1-CD2 4.27Å; F303-L322 HydrophobicContact CD2-CB 3.76Å; F303-L322 HydrophobicContact CE1-CB 4.05Å; F303-L322 HydrophobicContact CE2-CB 3.8Å; F303-L322 VanDerWaalsContact CE2-N 3.3Å; F303-L322 HydrophobicContact CG-CB 3.85Å; F303-L322 HydrophobicContact CG-CD1 4.23Å; F303-L322 HydrophobicContact CG-CG 4.41Å; F303-L322 HydrophobicContact CZ-CB 3.95Å; L322-I324 HydrophobicContact CD1-CG2 3.79Å; L322-I324 HydrophobicContact CD2-CD1 3.9Å; L322-I324 HydrophobicContact CD2-CG1 4.22Å; L322-I324 HydrophobicContact CG-CD1 4.32Å; L322-I324 HydrophobicContact CG-CG1 4.14Å; L322-I324 HydrophobicContact CG-CG2 4.09Å; L322-V344 CarbonylContact C-O 3.58Å; L322-V344 WeakPolarHBondContact CA-O 3.04Å |
| 323 | V | 96.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 87.3 | -178 | -178.1 | 0 | 0 | 0 | 0 | 110.3 | L321 V343 V344 G345 T346 R349 L350 L353 | L321-V323 HydrophobicContact CD2-CG2 3.83Å; L321-V323 HydrophobicContact CG-CG2 3.83Å; V323-V343 HydrophobicContact CB-CG1 4.28Å; V323-V343 HydrophobicContact CG2-CG1 3.71Å; V323-V344 PolarHBondContact N-O 3.13Å; V323-G345 CarbonylContact O-C 3.55Å; V323-G345 WeakPolarHBondContact O-CA 3.49Å; V323-T346 PolarHBondContact O-N 3.13Å; V323-R349 HydrophobicContact CG1-CB 4.03Å; V323-R349 HydrophobicContact CG1-CG 3.5Å; V323-L350 HydrophobicContact CB-CD2 3.94Å; V323-L350 HydrophobicContact CB-CG 4.46Å; V323-L350 HydrophobicContact CG1-CD2 3.82Å; V323-L350 HydrophobicContact CG1-CG 4.14Å; V323-L350 HydrophobicContact CG2-CD2 4.41Å; V323-L353 HydrophobicContact CG1-CD1 3.64Å; V323-L353 HydrophobicContact CG1-CG 4.5Å; V323-L353 HydrophobicContact CG2-CD1 4.27Å |
| 324 | I | 94.5 | Very high | 88.5 | Confident | 3 Ų | 3 | 60.7 Ų | 60.7 | 2% | 0.015 | 34% | 0.335 | C | S | . | . | trans | -127.1 | 154.1 | 178.5 | 61.4 | 171.4 | 0 | 0 | 0 | 111.9 | K296 A299 E300 L322 V327 Q332 T346 | K296-I324 HydrophobicContact CB-CB 4.42Å; K296-I324 HydrophobicContact CB-CD1 4.29Å; K296-I324 HydrophobicContact CB-CG2 4.4Å; K296-I324 HydrophobicContact CG-CB 4.15Å; K296-I324 HydrophobicContact CG-CG2 4.46Å; A299-I324 HydrophobicContact CB-CG2 3.67Å; E300-I324 HydrophobicContact CG-CD1 3.99Å; E300-I324 VanDerWaalsContact OE1-CD1 3.3Å; E300-I324 WeakPolarHBondContact OE1-CD1 3.28Å; L322-I324 HydrophobicContact CD1-CG2 3.79Å; L322-I324 HydrophobicContact CD2-CD1 3.9Å; L322-I324 HydrophobicContact CD2-CG1 4.22Å; L322-I324 HydrophobicContact CG-CD1 4.32Å; L322-I324 HydrophobicContact CG-CG1 4.14Å; L322-I324 HydrophobicContact CG-CG2 4.09Å; I324-V327 HydrophobicContact CD1-CG2 4.15Å; I324-V327 HydrophobicContact CG1-CG2 3.85Å; I324-Q332 PolarHBondContact O-NE2 3.15Å; I324-T346 HydrophobicContact CG2-CG2 3.98Å | ||
| 325 | G | 86 | Confident | 88.6 | Confident | 24 Ų | 24 | 55.7 Ų | 55.7 | 25% | 0.247 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | 151 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | K296 V327 | K296-G325 VanDerWaalsContact CD-O 3.32Å; K296-G325 WeakPolarHBondContact CD-O 3.3Å; K296-G325 WeakPolarHBondContact CE-O 3.13Å; K296-G325 VanDerWaalsContact NZ-C 3.3Å; K296-G325 PolarHBondContact NZ-O 2.7Å; G325-V327 VanDerWaalsContact C-N 3.34Å |
| 326 | G | 79.6 | Confident | 88.7 | Confident | 82 Ų | 82 | 50.8 Ų | 50.8 | 85% | 0.845 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.5 | -9.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 327 | V | 83.8 | Confident | 88.7 | Confident | 55 Ų | 55 | 56.8 Ų | 56.8 | 33% | 0.333 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -91.1 | 142.1 | 164.2 | 177.6 | 0 | 0 | 0 | 0 | 108.7 | I324 G325 A329 Q332 | I324-V327 HydrophobicContact CD1-CG2 4.15Å; I324-V327 HydrophobicContact CG1-CG2 3.85Å; G325-V327 VanDerWaalsContact C-N 3.34Å; V327-A329 PolarHBondContact O-N 3.36Å; V327-Q332 HydrophobicContact CG1-CG 4.26Å |
| 328 | A | 81.3 | Confident | 88.5 | Confident | 50 Ų | 50 | 56 Ų | 56 | 41% | 0.413 | 31% | 0.314 | S | S | . | . | trans | -62 | 129.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | K330 E331 | A328-K330 PolarHBondContact O-N 2.63Å; A328-K330 VanDerWaalsContact O-N 3.1Å; A328-E331 HydrophobicContact CB-CG 4.24Å; A328-E331 PolarHBondContact O-N 3.28Å | ||
| 329 | A | 81.4 | Confident | 88.3 | Confident | 38 Ų | 38 | 56.5 Ų | 56.5 | 31% | 0.314 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -57.1 | -33.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | V327 E331 Q332 L333 | V327-A329 PolarHBondContact O-N 3.36Å; A329-E331 VanDerWaalsContact C-N 3.31Å; A329-E331 PolarHBondContact O-N 3.03Å; A329-Q332 PolarHBondContact O-N 3.25Å; A329-L333 VanDerWaalsContact O-CG 3.24Å; A329-L333 WeakPolarHBondContact O-CG 3.37Å; A329-L333 PolarHBondContact O-N 3.33Å |
| 330 | K | 85.1 | Confident | 88.3 | Confident | 177 Ų | 177 | 51.1 Ų | 51.1 | 77% | 0.77 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -62.7 | -36.1 | 179.1 | -168.7 | 178.8 | 179.9 | -177 | 0 | 112.5 | A328 L333 A334 | A328-K330 PolarHBondContact O-N 2.63Å; A328-K330 VanDerWaalsContact O-N 3.1Å; K330-L333 PolarHBondContact O-N 3.14Å; K330-A334 WeakPolarHBondContact O-CB 3.38Å; K330-A334 PolarHBondContact O-N 3.27Å |
| 331 | E | 87.4 | Confident | 88.3 | Confident | 124 Ų | 124 | 50.3 Ų | 50.3 | 58% | 0.579 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -68.7 | -44.9 | 179.3 | -67.5 | 171.3 | -161.2 | 0 | 0 | 111 | A328 A329 L333 A334 V335 | A328-E331 HydrophobicContact CB-CG 4.24Å; A328-E331 PolarHBondContact O-N 3.28Å; A329-E331 VanDerWaalsContact C-N 3.31Å; A329-E331 PolarHBondContact O-N 3.03Å; E331-L333 VanDerWaalsContact C-N 3.31Å; E331-L333 PolarHBondContact O-N 3.15Å; E331-A334 PolarHBondContact O-N 2.83Å; E331-V335 PolarHBondContact O-N 3.03Å |
| 332 | Q | 87.4 | Confident | 88.4 | Confident | 4 Ų | 4 | 49.8 Ų | 49.8 | 2% | 0.019 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.1 | -39.5 | 176.1 | -69 | 171.7 | -7.9 | 0 | 0 | 111.7 | I324 V327 A329 V335 L336 R349 | I324-Q332 PolarHBondContact O-NE2 3.15Å; V327-Q332 HydrophobicContact CG1-CG 4.26Å; A329-Q332 PolarHBondContact O-N 3.25Å; Q332-V335 PolarHBondContact O-N 2.77Å; Q332-L336 WeakPolarHBondContact O-CG 3.17Å; Q332-L336 PolarHBondContact O-N 2.94Å; Q332-R349 VanDerWaalsContact OE1-CZ 3.29Å |
| 333 | L | 87.4 | Confident | 88.4 | Confident | 38 Ų | 38 | 48.5 Ų | 48.5 | 20% | 0.199 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.2 | -40.1 | 178.1 | -70.7 | 168 | 0 | 0 | 0 | 112.6 | A329 K330 E331 V335 L336 E337 L353 K358 | A329-L333 VanDerWaalsContact O-CG 3.24Å; A329-L333 WeakPolarHBondContact O-CG 3.37Å; A329-L333 PolarHBondContact O-N 3.33Å; K330-L333 PolarHBondContact O-N 3.14Å; E331-L333 VanDerWaalsContact C-N 3.31Å; E331-L333 PolarHBondContact O-N 3.15Å; L333-V335 PolarHBondContact O-N 3.05Å; L333-L336 HydrophobicContact CD2-CD1 4.09Å; L333-L336 PolarHBondContact O-N 3.28Å; L333-L336 VanDerWaalsContact O-N 3.17Å; L333-E337 WeakPolarHBondContact O-CG 3.18Å; L333-E337 PolarHBondContact O-N 3.17Å; L333-L353 HydrophobicContact CD2-CD2 4.45Å; L333-K358 HydrophobicContact CD1-CD 4.13Å; L333-K358 HydrophobicContact CD2-CB 3.77Å; L333-K358 HydrophobicContact CD2-CD 3.58Å; L333-K358 HydrophobicContact CD2-CG 3.82Å; L333-K358 HydrophobicContact CG-CD 4.43Å |
| 334 | A | 87.6 | Confident | 88.5 | Confident | 42 Ų | 42 | 48.5 Ų | 48.5 | 35% | 0.347 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.3 | -34.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K330 E331 Q338 | K330-A334 WeakPolarHBondContact O-CB 3.38Å; K330-A334 PolarHBondContact O-N 3.27Å; E331-A334 PolarHBondContact O-N 2.83Å; A334-Q338 WeakPolarHBondContact O-CG 3.06Å |
| 335 | V | 87.9 | Confident | 88.6 | Confident | 53 Ų | 53 | 48.3 Ų | 48.3 | 32% | 0.321 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -73.8 | -42.1 | 174.6 | -179 | 0 | 0 | 0 | 0 | 111.4 | L321 E331 Q332 L333 E337 Q338 G339 | L321-V335 HydrophobicContact CB-CG1 4.38Å; L321-V335 HydrophobicContact CD1-CB 3.88Å; L321-V335 HydrophobicContact CD1-CG1 3.88Å; L321-V335 HydrophobicContact CD1-CG2 4.32Å; E331-V335 PolarHBondContact O-N 3.03Å; Q332-V335 PolarHBondContact O-N 2.77Å; L333-V335 PolarHBondContact O-N 3.05Å; V335-E337 VanDerWaalsContact C-N 3.28Å; V335-E337 PolarHBondContact O-N 3.11Å; V335-Q338 PolarHBondContact O-N 3.35Å; V335-Q338 VanDerWaalsContact O-N 3.13Å; V335-G339 PolarHBondContact O-N 2.95Å |
| 336 | L | 87.8 | Confident | 89.1 | Confident | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.016 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.2 | -39.9 | 175.2 | -75.2 | 170.2 | 0 | 0 | 0 | 112.4 | S284 N285 L321 Q332 L333 Q338 G339 V340 L353 L359 | S284-L336 CarbonylContact C-O 3.53Å; S284-L336 VanDerWaalsContact C-O 3.3Å; S284-L336 WeakPolarHBondContact CB-O 3.49Å; N285-L336 HydrophobicContact CB-CB 4.41Å; N285-L336 HydrophobicContact CB-CD2 4.42Å; L321-L336 HydrophobicContact CD2-CD1 4.25Å; L321-L336 HydrophobicContact CD2-CD2 3.56Å; L321-L336 HydrophobicContact CD2-CG 3.53Å; Q332-L336 WeakPolarHBondContact O-CG 3.17Å; Q332-L336 PolarHBondContact O-N 2.94Å; L333-L336 HydrophobicContact CD2-CD1 4.09Å; L333-L336 PolarHBondContact O-N 3.28Å; L333-L336 VanDerWaalsContact O-N 3.17Å; L336-Q338 PolarHBondContact O-N 3.2Å; L336-G339 PolarHBondContact O-N 2.81Å; L336-V340 HydrophobicContact CD2-CG1 3.67Å; L336-L353 HydrophobicContact CD1-CD1 4.23Å; L336-L359 HydrophobicContact CD2-CD1 3.77Å |
| 337 | E | 85.2 | Confident | 89.9 | Confident | 144 Ų | 144 | 44 Ų | 44 | 67% | 0.673 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -61.2 | -34.7 | 177.8 | -76.8 | 172.4 | -172.8 | 0 | 0 | 112.2 | S284 L333 V335 | S284-E337 WeakPolarHBondContact CB-O 3.28Å; S284-E337 PolarHBondContact OG-O 3.23Å; S284-E337 VanDerWaalsContact OG-O 3.13Å; L333-E337 WeakPolarHBondContact O-CG 3.18Å; L333-E337 PolarHBondContact O-N 3.17Å; V335-E337 VanDerWaalsContact C-N 3.28Å; V335-E337 PolarHBondContact O-N 3.11Å |
| 338 | Q | 86.1 | Confident | 90.3 | Very high | 141 Ų | 141 | 43.7 Ų | 43.7 | 66% | 0.659 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -72.9 | -31.6 | 179.1 | -67.6 | 173.6 | 23.6 | 0 | 0 | 112.3 | R319 A334 V335 L336 | R319-Q338 PolarHBondContact NH1-O 2.97Å; A334-Q338 WeakPolarHBondContact O-CG 3.06Å; V335-Q338 PolarHBondContact O-N 3.35Å; V335-Q338 VanDerWaalsContact O-N 3.13Å; L336-Q338 PolarHBondContact O-N 3.2Å |
| 339 | G | 88.4 | Confident | 90.8 | Very high | 11 Ų | 11 | 42.9 Ų | 42.9 | 11% | 0.113 | 23% | 0.233 | C | C | . | . | trans | 124.9 | 132.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | S284 R319 V335 L336 | S284-G339 CarbonylContact O-C 3.51Å; S284-G339 WeakPolarHBondContact O-CA 3.27Å; R319-G339 WeakPolarHBondContact CD-O 3.49Å; V335-G339 PolarHBondContact O-N 2.95Å; L336-G339 PolarHBondContact O-N 2.81Å | ||
| 340 | V | 93.3 | Very high | 91.5 | Very high | 6 Ų | 6 | 41.1 Ų | 41.1 | 4% | 0.036 | 22% | 0.218 | C | C | . | . | trans | -133.7 | 140.4 | 174.9 | 67.8 | 0 | 0 | 0 | 0 | 111.5 | S284 P287 L321 L336 I342 V343 | S284-V340 PolarHBondContact O-N 3.28Å; P287-V340 WeakPolarHBondContact CA-O 3.47Å; P287-V340 HydrophobicContact CB-CG1 4.15Å; L321-V340 HydrophobicContact CB-CG2 3.69Å; L336-V340 HydrophobicContact CD2-CG1 3.67Å; V340-I342 VanDerWaalsContact CG2-O 3.27Å; V340-I342 WeakPolarHBondContact CG2-O 3.42Å; V340-V343 HydrophobicContact CG1-CG2 4.11Å; V340-V343 HydrophobicContact CG2-CG2 3.82Å | ||
| 341 | D | 94.8 | Very high | 92 | Very high | 22 Ų | 22 | 35.1 Ų | 35.1 | 12% | 0.118 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -108 | -35.9 | 177.9 | -53.7 | -61.7 | 0 | 0 | 0 | 111.9 | V64 L68 P287 K288 A289 L318 R319 | V64-D341 HydrophobicContact CG1-CB 3.92Å; L68-D341 HydrophobicContact CD1-CB 4.28Å; P287-D341 WeakPolarHBondContact CB-O 3.23Å; K288-D341 PolarHBondContact N-O 2.96Å; A289-D341 PolarHBondContact N-O 2.88Å; A289-D341 VanDerWaalsContact N-O 3.11Å; L318-D341 HydrophobicContact CD2-CB 4.21Å; R319-D341 PolarHBondContact N-OD2 2.86Å; R319-D341 WeakPolarHBondContact O-CA 3.18Å; R319-D341 WeakPolarHBondContact O-CB 3.37Å; R319-D341 PolarHBondContact O-N 2.91Å |
| 342 | I | 97.3 | Very high | 92.2 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 127.6 | -178.9 | -55.3 | 177.1 | 0 | 0 | 0 | 109.5 | I61 V64 A289 I291 V306 R319 E320 L321 V340 | I61-I342 HydrophobicContact CG1-CD1 3.94Å; V64-I342 HydrophobicContact CG1-CG1 4.18Å; A289-I342 HydrophobicContact CB-CG1 4.26Å; A289-I342 HydrophobicContact CB-CG2 4.28Å; I291-I342 HydrophobicContact CD1-CG2 4.06Å; V306-I342 HydrophobicContact CG1-CD1 4.34Å; R319-I342 PolarHBondContact O-N 2.91Å; E320-I342 CarbonylContact C-O 3.57Å; E320-I342 WeakPolarHBondContact CA-O 3.5Å; E320-I342 HydrophobicContact CB-CB 4.38Å; L321-I342 PolarHBondContact N-O 3.47Å; V340-I342 VanDerWaalsContact CG2-O 3.27Å; V340-I342 WeakPolarHBondContact CG2-O 3.42Å |
| 343 | V | 98 | Very high | 92.4 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 128.6 | 172.8 | 169.6 | 0 | 0 | 0 | 0 | 109.6 | P287 A289 L290 I291 L321 V323 V340 L350 L359 | P287-V343 HydrophobicContact CB-CB 4.41Å; P287-V343 HydrophobicContact CB-CG2 3.85Å; P287-V343 HydrophobicContact CG-CB 4.23Å; P287-V343 HydrophobicContact CG-CG2 3.7Å; A289-V343 PolarHBondContact O-N 3.24Å; L290-V343 HydrophobicContact CD1-CB 4.02Å; L290-V343 HydrophobicContact CD1-CG1 3.74Å; I291-V343 PolarHBondContact N-O 2.91Å; L321-V343 HydrophobicContact CB-CG2 4.36Å; L321-V343 WeakPolarHBondContact O-CA 3.37Å; V323-V343 HydrophobicContact CB-CG1 4.28Å; V323-V343 HydrophobicContact CG2-CG1 3.71Å; V340-V343 HydrophobicContact CG1-CG2 4.11Å; V340-V343 HydrophobicContact CG2-CG2 3.82Å; V343-L350 HydrophobicContact CG1-CD2 3.78Å; V343-L359 HydrophobicContact CG1-CD2 4.4Å; V343-L359 HydrophobicContact CG2-CD1 4.11Å |
| 344 | V | 98.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 128.4 | 168.9 | -175.1 | 0 | 0 | 0 | 0 | 107.4 | I291 E293 A299 T302 F303 V306 L321 L322 V323 | I291-V344 HydrophobicContact CB-CG1 4.49Å; I291-V344 HydrophobicContact CB-CG2 4.22Å; I291-V344 HydrophobicContact CD1-CG2 3.94Å; I291-V344 HydrophobicContact CG2-CG1 4.39Å; I291-V344 WeakPolarHBondContact O-CA 3.24Å; E293-V344 HydrophobicContact CG-CG1 4.15Å; A299-V344 HydrophobicContact CB-CG1 4.26Å; A299-V344 WeakPolarHBondContact O-CG1 3.32Å; T302-V344 HydrophobicContact CG2-CG1 4.03Å; T302-V344 HydrophobicContact CG2-CG2 4.4Å; F303-V344 HydrophobicContact CB-CB 4.29Å; F303-V344 HydrophobicContact CB-CG1 4.4Å; F303-V344 HydrophobicContact CB-CG2 4.41Å; F303-V344 HydrophobicContact CD2-CB 4.44Å; F303-V344 HydrophobicContact CD2-CG2 4.38Å; V306-V344 HydrophobicContact CG2-CG2 4.45Å; L321-V344 PolarHBondContact O-N 3.36Å; L322-V344 CarbonylContact C-O 3.58Å; L322-V344 WeakPolarHBondContact CA-O 3.04Å; V323-V344 PolarHBondContact N-O 3.13Å |
| 345 | G | 97.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.8 | 171.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | I291 I292 E293 V323 | I291-G345 PolarHBondContact O-N 3.29Å; I292-G345 WeakPolarHBondContact CA-O 3.43Å; E293-G345 PolarHBondContact N-O 2.79Å; V323-G345 CarbonylContact O-C 3.55Å; V323-G345 WeakPolarHBondContact O-CA 3.49Å |
| 346 | T | 96.7 | Very high | 92.6 | Very high | 14 Ų | 14 | 34 Ų | 34 | 9% | 0.086 | 20% | 0.196 | C | C | . | . | trans | -100.2 | 143.4 | 177.7 | 52.3 | 0 | 0 | 0 | 0 | 111 | S295 K296 A299 V323 I324 G348 R349 L350 | S295-T346 VanDerWaalsContact C-CG2 3.43Å; S295-T346 VanDerWaalsContact O-CG2 3.26Å; S295-T346 WeakPolarHBondContact O-CG2 3.29Å; K296-T346 HydrophobicContact CG-CG2 4.25Å; A299-T346 HydrophobicContact CB-CG2 4.17Å; V323-T346 PolarHBondContact O-N 3.13Å; I324-T346 HydrophobicContact CG2-CG2 3.98Å; T346-G348 PolarHBondContact O-N 2.99Å; T346-R349 PolarHBondContact O-N 2.94Å; T346-R349 VanDerWaalsContact O-N 3.17Å; T346-L350 WeakPolarHBondContact O-CG 3.48Å; T346-L350 PolarHBondContact O-N 2.84Å | ||
| 347 | P | 95.5 | Very high | 92.5 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.006 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -46.5 | -51.2 | -175 | -35.6 | 37.5 | 0 | 0 | 0 | 115.2 | I292 E293 R349 L350 D351 L375 Y380 F383 | I292-P347 HydrophobicContact CG2-CG 3.87Å; E293-P347 WeakPolarHBondContact O-CD 3.41Å; P347-R349 VanDerWaalsContact C-N 3.32Å; P347-R349 PolarHBondContact O-N 3.04Å; P347-L350 PolarHBondContact O-N 3.22Å; P347-D351 WeakPolarHBondContact O-CB 3.28Å; P347-D351 PolarHBondContact O-N 2.91Å; P347-L375 HydrophobicContact CG-CD2 3.66Å; P347-Y380 HydrophobicContact CB-CD1 3.46Å; P347-Y380 VanDerWaalsContact CB-CD1 3.46Å; P347-Y380 HydrophobicContact CB-CD2 4.03Å; P347-Y380 HydrophobicContact CB-CE1 3.63Å; P347-Y380 HydrophobicContact CB-CE2 4.16Å; P347-Y380 HydrophobicContact CB-CG 3.68Å; P347-Y380 HydrophobicContact CG-CD1 4.06Å; P347-Y380 HydrophobicContact CG-CD2 3.69Å; P347-Y380 HydrophobicContact CG-CE1 4.33Å; P347-Y380 HydrophobicContact CG-CE2 3.97Å; P347-Y380 HydrophobicContact CG-CG 3.73Å; P347-F383 HydrophobicContact CB-CD1 3.6Å; P347-F383 HydrophobicContact CB-CE1 3.58Å; P347-F383 HydrophobicContact CB-CG 4.2Å; P347-F383 HydrophobicContact CB-CZ 4.19Å; P347-F383 HydrophobicContact CG-CD1 4.11Å; P347-F383 HydrophobicContact CG-CE1 3.96Å |
| 348 | G | 91.5 | Very high | 92.7 | Very high | 49 Ų | 49 | 33.6 Ų | 33.6 | 51% | 0.505 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.4 | -36.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | T346 | T346-G348 PolarHBondContact O-N 2.99Å |
| 349 | R | 93.5 | Very high | 93 | Very high | 32 Ų | 32 | 27 Ų | 27 | 12% | 0.121 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -83 | -34.8 | 179.2 | -174 | 63.3 | 179.2 | 156.5 | 8.6 | 112.2 | V323 Q332 T346 P347 D352 L353 | V323-R349 HydrophobicContact CG1-CB 4.03Å; V323-R349 HydrophobicContact CG1-CG 3.5Å; Q332-R349 VanDerWaalsContact OE1-CZ 3.29Å; T346-R349 PolarHBondContact O-N 2.94Å; T346-R349 VanDerWaalsContact O-N 3.17Å; P347-R349 VanDerWaalsContact C-N 3.32Å; P347-R349 PolarHBondContact O-N 3.04Å; R349-D352 IonicContact CZ-OD2 2.81Å; R349-D352 IonicContact NH1-OD2 3.56Å; R349-D352 PolarHBondContact NH1-OD2 2.95Å; R349-L353 PolarHBondContact O-N 3.16Å |
| 350 | L | 95.9 | Very high | 93.1 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.4 | -45 | 172.8 | -74.6 | 170.2 | 0 | 0 | 0 | 111.1 | L290 I292 V323 V343 T346 P347 D352 L353 V354 L359 F383 | L290-L350 HydrophobicContact CD1-CD1 4.18Å; L290-L350 HydrophobicContact CD1-CD2 3.82Å; I292-L350 HydrophobicContact CG1-CD1 4.08Å; I292-L350 HydrophobicContact CG2-CD1 4.5Å; V323-L350 HydrophobicContact CB-CD2 3.94Å; V323-L350 HydrophobicContact CB-CG 4.46Å; V323-L350 HydrophobicContact CG1-CD2 3.82Å; V323-L350 HydrophobicContact CG1-CG 4.14Å; V323-L350 HydrophobicContact CG2-CD2 4.41Å; V343-L350 HydrophobicContact CG1-CD2 3.78Å; T346-L350 WeakPolarHBondContact O-CG 3.48Å; T346-L350 PolarHBondContact O-N 2.84Å; P347-L350 PolarHBondContact O-N 3.22Å; L350-D352 VanDerWaalsContact C-N 3.33Å; L350-D352 PolarHBondContact O-N 3.48Å; L350-L353 PolarHBondContact O-N 3Å; L350-V354 WeakPolarHBondContact O-CB 3.31Å; L350-V354 VanDerWaalsContact O-CG2 3.29Å; L350-V354 WeakPolarHBondContact O-CG2 3.49Å; L350-V354 PolarHBondContact O-N 3.38Å; L350-L359 HydrophobicContact CD2-CD2 3.85Å; L350-F383 HydrophobicContact CB-CE2 4.33Å; L350-F383 HydrophobicContact CB-CZ 3.8Å; L350-F383 HydrophobicContact CD1-CZ 4.41Å |
| 351 | D | 94 | Very high | 92.9 | Very high | 51 Ų | 51 | 28.1 Ų | 28.1 | 27% | 0.273 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -59.3 | -42.8 | 179.9 | -159.1 | 31.3 | 0 | 0 | 0 | 112 | P347 S355 F383 R386 | P347-D351 WeakPolarHBondContact O-CB 3.28Å; P347-D351 PolarHBondContact O-N 2.91Å; D351-S355 WeakPolarHBondContact O-CB 3.42Å; D351-S355 PolarHBondContact O-N 3.48Å; D351-S355 PolarHBondContact O-OG 3.45Å; D351-F383 HydrophobicContact CB-CD2 3.69Å; D351-F383 HydrophobicContact CB-CE2 3.55Å; D351-R386 IonicContact OD1-CZ 2.66Å; D351-R386 IonicContact OD1-NH2 3.04Å; D351-R386 PolarHBondContact OD1-NH2 3.27Å; D351-R386 IonicContact OD2-CZ 2.7Å; D351-R386 IonicContact OD2-NH2 3.66Å; D351-R386 PolarHBondContact OD2-NH2 3.06Å |
| 352 | D | 91.6 | Very high | 92.3 | Very high | 64 Ų | 64 | 29 Ų | 29 | 34% | 0.342 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -60.7 | -49.6 | 174.9 | 176.2 | 35.6 | 0 | 0 | 0 | 111.9 | R349 L350 V354 S355 T356 | R349-D352 IonicContact CZ-OD2 2.81Å; R349-D352 IonicContact NH1-OD2 3.56Å; R349-D352 PolarHBondContact NH1-OD2 2.95Å; L350-D352 VanDerWaalsContact C-N 3.33Å; L350-D352 PolarHBondContact O-N 3.48Å; D352-V354 PolarHBondContact O-N 2.87Å; D352-S355 PolarHBondContact O-OG 2.83Å; D352-T356 WeakPolarHBondContact O-CB 3.48Å; D352-T356 VanDerWaalsContact O-CG2 3.29Å; D352-T356 WeakPolarHBondContact O-CG2 3.45Å; D352-T356 PolarHBondContact O-N 2.72Å; D352-T356 VanDerWaalsContact O-N 3.11Å; D352-T356 PolarHBondContact O-OG1 3.05Å |
| 353 | L | 91.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.8 | -35 | -178.9 | -66.1 | -174.4 | 0 | 0 | 0 | 113.2 | V323 L333 L336 R349 L350 T356 G357 K358 L359 | V323-L353 HydrophobicContact CG1-CD1 3.64Å; V323-L353 HydrophobicContact CG1-CG 4.5Å; V323-L353 HydrophobicContact CG2-CD1 4.27Å; L333-L353 HydrophobicContact CD2-CD2 4.45Å; L336-L353 HydrophobicContact CD1-CD1 4.23Å; R349-L353 PolarHBondContact O-N 3.16Å; L350-L353 PolarHBondContact O-N 3Å; L353-T356 PolarHBondContact O-OG1 3.4Å; L353-G357 PolarHBondContact O-N 2.96Å; L353-K358 HydrophobicContact CB-CB 4.46Å; L353-K358 HydrophobicContact CD2-CB 4.07Å; L353-K358 HydrophobicContact CD2-CD 3.95Å; L353-K358 WeakPolarHBondContact O-CA 3.33Å; L353-K358 PolarHBondContact O-N 2.94Å; L353-L359 HydrophobicContact CB-CB 3.83Å; L353-L359 PolarHBondContact O-N 3.48Å |
| 354 | V | 92.4 | Very high | 91.4 | Very high | 14 Ų | 14 | 30.5 Ų | 30.5 | 9% | 0.085 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -72.8 | -48.7 | 177.8 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | L350 D352 T356 G357 L359 L361 I387 | L350-V354 WeakPolarHBondContact O-CB 3.31Å; L350-V354 VanDerWaalsContact O-CG2 3.29Å; L350-V354 WeakPolarHBondContact O-CG2 3.49Å; L350-V354 PolarHBondContact O-N 3.38Å; D352-V354 PolarHBondContact O-N 2.87Å; V354-T356 PolarHBondContact O-N 2.91Å; V354-G357 PolarHBondContact O-N 3.26Å; V354-L359 HydrophobicContact CG2-CB 4.24Å; V354-L359 HydrophobicContact CG2-CD2 3.98Å; V354-L359 HydrophobicContact CG2-CG 4.26Å; V354-L361 HydrophobicContact CG1-CD1 3.73Å; V354-L361 HydrophobicContact CG1-CG 4.11Å; V354-L361 HydrophobicContact CG2-CD1 4.25Å; V354-L361 HydrophobicContact CG2-CD2 4.03Å; V354-L361 HydrophobicContact CG2-CG 4.13Å; V354-I387 HydrophobicContact CB-CD1 4.13Å; V354-I387 HydrophobicContact CG1-CD1 3.89Å; V354-I387 HydrophobicContact CG2-CD1 3.97Å |
| 355 | S | 87.8 | Confident | 90.9 | Very high | 88 Ų | 88 | 32.5 Ų | 32.5 | 62% | 0.615 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -63.4 | -30.8 | -179 | 60.5 | 0 | 0 | 0 | 0 | 113.1 | D351 D352 G357 | D351-S355 WeakPolarHBondContact O-CB 3.42Å; D351-S355 PolarHBondContact O-N 3.48Å; D351-S355 PolarHBondContact O-OG 3.45Å; D352-S355 PolarHBondContact O-OG 2.83Å; S355-G357 VanDerWaalsContact C-N 3.29Å |
| 356 | T | 87.4 | Confident | 90.8 | Very high | 73 Ų | 73 | 33.1 Ų | 33.1 | 45% | 0.448 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 1.1 | 175.1 | 57.8 | 0 | 0 | 0 | 0 | 113.8 | D352 L353 V354 K358 | D352-T356 WeakPolarHBondContact O-CB 3.48Å; D352-T356 VanDerWaalsContact O-CG2 3.29Å; D352-T356 WeakPolarHBondContact O-CG2 3.45Å; D352-T356 PolarHBondContact O-N 2.72Å; D352-T356 VanDerWaalsContact O-N 3.11Å; D352-T356 PolarHBondContact O-OG1 3.05Å; L353-T356 PolarHBondContact O-OG1 3.4Å; V354-T356 PolarHBondContact O-N 2.91Å; T356-K358 PolarHBondContact O-N 2.88Å; T356-K358 WeakPolarHBondContact OG1-CD 3.47Å |
| 357 | G | 85.2 | Confident | 90.9 | Very high | 50 Ų | 50 | 32.5 Ų | 32.5 | 52% | 0.515 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | 8.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | L353 V354 S355 | L353-G357 PolarHBondContact O-N 2.96Å; V354-G357 PolarHBondContact O-N 3.26Å; S355-G357 VanDerWaalsContact C-N 3.29Å |
| 358 | K | 89.3 | Confident | 91 | Very high | 87 Ų | 87 | 32.5 Ų | 32.5 | 38% | 0.378 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -74 | -34.4 | 179.4 | -71.2 | 172.1 | 177.5 | 174.7 | 0 | 111.7 | N285 L333 L353 T356 | N285-K358 VanDerWaalsContact CB-O 3.31Å; N285-K358 WeakPolarHBondContact CB-O 3.22Å; N285-K358 PolarHBondContact ND2-O 3.26Å; L333-K358 HydrophobicContact CD1-CD 4.13Å; L333-K358 HydrophobicContact CD2-CB 3.77Å; L333-K358 HydrophobicContact CD2-CD 3.58Å; L333-K358 HydrophobicContact CD2-CG 3.82Å; L333-K358 HydrophobicContact CG-CD 4.43Å; L353-K358 HydrophobicContact CB-CB 4.46Å; L353-K358 HydrophobicContact CD2-CB 4.07Å; L353-K358 HydrophobicContact CD2-CD 3.95Å; L353-K358 WeakPolarHBondContact O-CA 3.33Å; L353-K358 PolarHBondContact O-N 2.94Å; T356-K358 PolarHBondContact O-N 2.88Å; T356-K358 WeakPolarHBondContact OG1-CD 3.47Å |
| 359 | L | 92.8 | Very high | 91.3 | Very high | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -111.6 | 119.8 | 170.6 | 180 | 67.1 | 0 | 0 | 0 | 108.9 | P287 L336 V343 L350 L353 V354 | P287-L359 HydrophobicContact CG-CD1 4.03Å; L336-L359 HydrophobicContact CD2-CD1 3.77Å; V343-L359 HydrophobicContact CG1-CD2 4.4Å; V343-L359 HydrophobicContact CG2-CD1 4.11Å; L350-L359 HydrophobicContact CD2-CD2 3.85Å; L353-L359 HydrophobicContact CB-CB 3.83Å; L353-L359 PolarHBondContact O-N 3.48Å; V354-L359 HydrophobicContact CG2-CB 4.24Å; V354-L359 HydrophobicContact CG2-CD2 3.98Å; V354-L359 HydrophobicContact CG2-CG 4.26Å |
| 360 | S | 89.9 | Confident | 91.3 | Very high | 33 Ų | 33 | 29 Ų | 29 | 23% | 0.231 | 17% | 0.173 | C | C | . | . | trans | -93.5 | 134.8 | 178.4 | 179 | 0 | 0 | 0 | 0 | 111.2 | N285 A286 P287 S362 | N285-S360 PolarHBondContact O-N 3.31Å; A286-S360 WeakPolarHBondContact CA-O 3.44Å; P287-S360 WeakPolarHBondContact CD-O 3.35Å; S360-S362 VanDerWaalsContact C-N 3.35Å; S360-S362 WeakPolarHBondContact OG-CB 3.46Å; S360-S362 PolarHBondContact OG-N 2.91Å; S360-S362 PolarHBondContact OG-OG 3.26Å | ||
| 361 | L | 90 | Very high | 91.1 | Very high | 9 Ų | 9 | 30 Ų | 30 | 5% | 0.047 | 18% | 0.178 | C | C | . | . | trans | -90.8 | 0.5 | 175.7 | -60 | 178.4 | 0 | 0 | 0 | 113.2 | L290 V354 Q363 V364 I387 Q390 I391 P392 | L290-L361 HydrophobicContact CD2-CD2 3.95Å; V354-L361 HydrophobicContact CG1-CD1 3.73Å; V354-L361 HydrophobicContact CG1-CG 4.11Å; V354-L361 HydrophobicContact CG2-CD1 4.25Å; V354-L361 HydrophobicContact CG2-CD2 4.03Å; V354-L361 HydrophobicContact CG2-CG 4.13Å; L361-Q363 PolarHBondContact O-N 2.88Å; L361-Q363 VanDerWaalsContact O-N 3.11Å; L361-V364 HydrophobicContact CB-CG2 4.47Å; L361-V364 HydrophobicContact CD2-CG2 4.12Å; L361-V364 PolarHBondContact O-N 2.86Å; L361-V364 VanDerWaalsContact O-N 3.14Å; L361-I387 HydrophobicContact CD1-CB 4.46Å; L361-I387 HydrophobicContact CD1-CD1 3.75Å; L361-I387 HydrophobicContact CD1-CG2 3.95Å; L361-Q390 HydrophobicContact CD1-CB 3.8Å; L361-I391 HydrophobicContact CB-CG1 3.97Å; L361-I391 HydrophobicContact CD1-CG1 4.16Å; L361-I391 HydrophobicContact CG-CG1 4.45Å; L361-P392 VanDerWaalsContact O-CD 3.23Å; L361-P392 WeakPolarHBondContact O-CD 3.45Å | ||
| 362 | S | 83.2 | Confident | 91 | Very high | 39 Ų | 39 | 27.6 Ų | 27.6 | 27% | 0.273 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -17.9 | -170.2 | 63.2 | 0 | 0 | 0 | 0 | 115.1 | S360 P392 | S360-S362 VanDerWaalsContact C-N 3.35Å; S360-S362 WeakPolarHBondContact OG-CB 3.46Å; S360-S362 PolarHBondContact OG-N 2.91Å; S360-S362 PolarHBondContact OG-OG 3.26Å; S362-P392 WeakPolarHBondContact O-CG 3.42Å |
| 363 | Q | 84.2 | Confident | 90.8 | Very high | 34 Ų | 34 | 25.4 Ų | 25.4 | 16% | 0.159 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | 3 | 178.2 | -63.3 | -159.8 | 6.3 | 0 | 0 | 113.5 | A286 P287 K288 L361 R365 | A286-Q363 HydrophobicContact CB-CB 3.86Å; A286-Q363 HydrophobicContact CB-CG 3.73Å; P287-Q363 CarbonylContact O-C 3.55Å; K288-Q363 WeakPolarHBondContact CA-O 3.22Å; L361-Q363 PolarHBondContact O-N 2.88Å; L361-Q363 VanDerWaalsContact O-N 3.11Å; Q363-R365 WeakPolarHBondContact O-CG 3.2Å; Q363-R365 PolarHBondContact O-N 3.4Å |
| 364 | V | 90.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | -65 | 133 | 179.1 | 177.5 | 0 | 0 | 0 | 0 | 109.4 | P287 L290 L361 F366 I391 L401 | P287-V364 HydrophobicContact CG-CG2 4.27Å; P287-V364 WeakPolarHBondContact O-CA 3.04Å; P287-V364 WeakPolarHBondContact O-CG2 3.32Å; P287-V364 PolarHBondContact O-N 3.23Å; L290-V364 HydrophobicContact CB-CG1 4.14Å; L290-V364 HydrophobicContact CB-CG2 4.34Å; L361-V364 HydrophobicContact CB-CG2 4.47Å; L361-V364 HydrophobicContact CD2-CG2 4.12Å; L361-V364 PolarHBondContact O-N 2.86Å; L361-V364 VanDerWaalsContact O-N 3.14Å; V364-F366 WeakPolarHBondContact CG1-O 3.49Å; V364-I391 HydrophobicContact CB-CD1 4.4Å; V364-I391 HydrophobicContact CB-CG1 4.12Å; V364-I391 HydrophobicContact CB-CG2 3.9Å; V364-I391 HydrophobicContact CG1-CD1 3.92Å; V364-I391 HydrophobicContact CG1-CG1 4.19Å; V364-I391 HydrophobicContact CG1-CG2 4.01Å; V364-L401 HydrophobicContact CG1-CD1 4.29Å | ||
| 365 | R | 89 | Confident | 90.4 | Very high | 42 Ų | 42 | 24.9 Ų | 24.9 | 16% | 0.158 | 15% | 0.151 | C | C | . | . | trans | -125.3 | -25.2 | -179.1 | -58.2 | -58.7 | 174.8 | -121.6 | 8.9 | 112.2 | K288 Q363 L401 Q402 | K288-R365 PolarHBondContact O-N 3.46Å; Q363-R365 WeakPolarHBondContact O-CG 3.2Å; Q363-R365 PolarHBondContact O-N 3.4Å; R365-L401 WeakPolarHBondContact O-CD1 3.36Å; R365-Q402 PolarHBondContact O-N 3.11Å | ||
| 366 | F | 94.9 | Very high | 90.6 | Very high | 13 Ų | 13 | 21.5 Ų | 21.5 | 6% | 0.057 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 119.8 | 176.6 | -50.7 | -81.8 | 0 | 0 | 0 | 108.5 | V60 I63 V64 K288 A289 L290 V364 Q402 | V60-F366 HydrophobicContact CG1-CB 4.32Å; V60-F366 HydrophobicContact CG1-CG 4.41Å; V60-F366 HydrophobicContact CG2-CB 4.41Å; V60-F366 HydrophobicContact CG2-CG 4.49Å; I63-F366 HydrophobicContact CB-CE1 4.27Å; I63-F366 HydrophobicContact CB-CE2 4.37Å; I63-F366 HydrophobicContact CB-CZ 3.82Å; I63-F366 HydrophobicContact CD1-CE1 3.87Å; I63-F366 HydrophobicContact CD1-CZ 4.28Å; I63-F366 HydrophobicContact CG2-CE1 3.95Å; I63-F366 HydrophobicContact CG2-CE2 3.98Å; I63-F366 HydrophobicContact CG2-CZ 3.24Å; V64-F366 HydrophobicContact CG2-CD2 3.89Å; V64-F366 HydrophobicContact CG2-CE2 3.98Å; K288-F366 PolarHBondContact O-N 2.92Å; K288-F366 VanDerWaalsContact O-N 3.14Å; A289-F366 WeakPolarHBondContact CA-O 3.37Å; A289-F366 HydrophobicContact CB-CB 4.04Å; A289-F366 HydrophobicContact CB-CD2 4.28Å; L290-F366 PolarHBondContact N-O 2.98Å; V364-F366 WeakPolarHBondContact CG1-O 3.49Å; F366-Q402 WeakPolarHBondContact CA-O 3.08Å; F366-Q402 HydrophobicContact CD1-CB 4.03Å; F366-Q402 HydrophobicContact CE1-CB 4.27Å |
| 367 | L | 97.5 | Very high | 90.4 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 116.1 | 168.7 | 177 | 63.5 | 0 | 0 | 0 | 108.1 | L290 I292 L369 H388 I391 L401 Q402 V403 I404 | L290-L367 HydrophobicContact CB-CD1 4.4Å; L290-L367 HydrophobicContact CD2-CD1 4.09Å; L290-L367 HydrophobicContact CG-CD1 4.3Å; I292-L367 HydrophobicContact CD1-CD1 3.83Å; I292-L367 HydrophobicContact CG1-CD1 4.34Å; L367-L369 HydrophobicContact CD1-CD2 4.26Å; L367-L369 HydrophobicContact CG-CD2 4.33Å; L367-H388 HydrophobicContact CD2-CB 4.49Å; L367-I391 HydrophobicContact CB-CD1 4.38Å; L367-I391 HydrophobicContact CD1-CD1 4.11Å; L367-I391 HydrophobicContact CD2-CD1 4.1Å; L367-I391 HydrophobicContact CG-CD1 4.44Å; L367-L401 HydrophobicContact CB-CD1 4.19Å; L367-Q402 PolarHBondContact N-O 3.46Å; L367-V403 HydrophobicContact CB-CG2 4.43Å; L367-V403 WeakPolarHBondContact O-CA 3.41Å; L367-I404 PolarHBondContact O-N 3.5Å |
| 368 | V | 98.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 126.8 | 176.3 | -172.4 | 0 | 0 | 0 | 0 | 109.2 | F56 V60 L290 I291 I292 I404 | F56-V368 HydrophobicContact CB-CG1 4.46Å; F56-V368 HydrophobicContact CD1-CG1 4.24Å; F56-V368 HydrophobicContact CD2-CG1 3.72Å; F56-V368 HydrophobicContact CD2-CG2 4.27Å; F56-V368 HydrophobicContact CE1-CG1 4.37Å; F56-V368 HydrophobicContact CE2-CG1 3.93Å; F56-V368 HydrophobicContact CG-CG1 3.9Å; F56-V368 HydrophobicContact CZ-CG1 4.24Å; V60-V368 HydrophobicContact CG2-CG2 4.29Å; L290-V368 PolarHBondContact O-N 3.07Å; I291-V368 HydrophobicContact CB-CB 4.28Å; I291-V368 HydrophobicContact CG1-CB 3.92Å; I291-V368 HydrophobicContact CG1-CG2 3.94Å; I291-V368 HydrophobicContact CG2-CB 4.2Å; I291-V368 HydrophobicContact CG2-CG1 4.34Å; I292-V368 PolarHBondContact N-O 2.85Å; V368-I404 CarbonylContact C-O 3.55Å; V368-I404 VanDerWaalsContact CA-O 3.3Å; V368-I404 WeakPolarHBondContact CA-O 3.33Å; V368-I404 HydrophobicContact CG1-CB 4.35Å; V368-I404 HydrophobicContact CG1-CG2 4.38Å; V368-I404 HydrophobicContact CG2-CB 4.24Å; V368-I404 HydrophobicContact CG2-CD1 4.09Å |
| 369 | L | 97.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 102.4 | 169.8 | -53.6 | -176 | 0 | 0 | 0 | 108.1 | I292 L367 C372 L375 I384 I404 V405 C406 L418 I422 | I292-L369 HydrophobicContact CB-CD2 4.04Å; I292-L369 HydrophobicContact CD1-CD2 3.82Å; I292-L369 HydrophobicContact CG1-CD2 4.24Å; L367-L369 HydrophobicContact CD1-CD2 4.26Å; L367-L369 HydrophobicContact CG-CD2 4.33Å; L369-C372 HydrophobicContact CB-CB 4.48Å; L369-L375 HydrophobicContact CB-CD1 4.19Å; L369-L375 HydrophobicContact CD2-CD1 4.48Å; L369-I384 HydrophobicContact CD1-CD1 4.36Å; L369-I384 HydrophobicContact CD1-CG2 3.82Å; L369-I384 HydrophobicContact CD2-CG1 4.44Å; L369-I384 HydrophobicContact CD2-CG2 4.37Å; L369-I404 PolarHBondContact N-O 2.83Å; L369-V405 HydrophobicContact CB-CG2 4.27Å; L369-V405 HydrophobicContact CD1-CG2 4.15Å; L369-V405 HydrophobicContact CG-CG2 4.39Å; L369-C406 PolarHBondContact O-N 3.45Å; L369-L418 HydrophobicContact CD1-CD2 3.95Å; L369-I422 HydrophobicContact CD1-CD1 3.5Å; L369-I422 VanDerWaalsContact CD1-CD1 3.5Å |
| 370 | D | 95 | Very high | 90.3 | Very high | 7 Ų | 7 | 23.4 Ų | 23.4 | 4% | 0.037 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -91.7 | 148.7 | 174 | -159.9 | 7.7 | 0 | 0 | 0 | 110.7 | F56 I292 C372 L375 C406 | F56-D370 HydrophobicContact CE1-CB 4.21Å; F56-D370 WeakPolarHBondContact CE1-OD2 3.2Å; F56-D370 HydrophobicContact CZ-CB 4.34Å; I292-D370 PolarHBondContact O-N 3.14Å; D370-C372 VanDerWaalsContact C-N 3.29Å; D370-C372 PolarHBondContact O-N 3Å; D370-L375 WeakPolarHBondContact O-CD1 3.47Å; D370-C406 VanDerWaalsContact OD1-CB 3.29Å; D370-C406 WeakPolarHBondContact OD1-CB 3.4Å |
| 371 | E | 90.3 | Very high | 90.4 | Very high | 24 Ų | 24 | 24 Ų | 24 | 11% | 0.112 | 15% | 0.146 | C | C | . | . | S | Bend | trans | 42.1 | 55.4 | -168.9 | -68.4 | -160.1 | 170.9 | 0 | 0 | 112.4 | P294 L298 D373 G374 L375 C406 G578 | P294-E371 HydrophobicContact CG-CB 3.73Å; L298-E371 VanDerWaalsContact CD1-CD 3.45Å; L298-E371 HydrophobicContact CD1-CG 4.24Å; L298-E371 WeakPolarHBondContact CD1-OE2 3.47Å; E371-D373 VanDerWaalsContact C-N 3.28Å; E371-D373 PolarHBondContact O-N 2.9Å; E371-G374 CarbonylContact O-C 3.52Å; E371-G374 VanDerWaalsContact O-CA 3.28Å; E371-G374 WeakPolarHBondContact O-CA 3.43Å; E371-G374 PolarHBondContact O-N 3.46Å; E371-L375 PolarHBondContact O-N 3.37Å; E371-C406 PolarHBondContact N-O 2.86Å; E371-C406 VanDerWaalsContact N-O 3.16Å; E371-G578 VanDerWaalsContact OE1-CA 3.28Å; E371-G578 WeakPolarHBondContact OE1-CA 3.4Å; E371-G578 PolarHBondContact OE1-N 2.99Å |
| 372 | C | 92.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.3 | -37.9 | -173.1 | -171 | 0 | 0 | 0 | 0 | 113.3 | L369 D370 L375 L376 V405 C406 V415 | L369-C372 HydrophobicContact CB-CB 4.48Å; D370-C372 VanDerWaalsContact C-N 3.29Å; D370-C372 PolarHBondContact O-N 3Å; C372-L375 WeakPolarHBondContact O-CB 3.33Å; C372-L375 PolarHBondContact O-N 2.82Å; C372-L376 VanDerWaalsContact O-CG 3.26Å; C372-L376 WeakPolarHBondContact O-CG 3.26Å; C372-L376 PolarHBondContact O-N 3.47Å; C372-V405 HydrophobicContact CB-CG1 3.58Å; C372-C406 WeakPolarHBondContact CB-O 3.46Å; C372-C406 PolarHBondContact N-O 3.27Å; C372-V415 HydrophobicContact CB-CG2 4.46Å |
| 373 | D | 86.7 | Confident | 91 | Very high | 17 Ų | 17 | 27.7 Ų | 27.7 | 9% | 0.091 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.9 | -43.8 | 170.2 | 52.7 | -8.3 | 0 | 0 | 0 | 112.5 | E371 L376 T377 S407 T409 V415 H601 | E371-D373 VanDerWaalsContact C-N 3.28Å; E371-D373 PolarHBondContact O-N 2.9Å; D373-L376 PolarHBondContact O-N 3.46Å; D373-T377 WeakPolarHBondContact O-CB 3.48Å; D373-T377 PolarHBondContact O-N 2.9Å; D373-T377 PolarHBondContact O-OG1 3.28Å; D373-S407 WeakPolarHBondContact CB-OG 3.15Å; D373-S407 PolarHBondContact OD1-OG 3.25Å; D373-S407 PolarHBondContact OD2-OG 3.16Å; D373-T409 PolarHBondContact OD2-OG1 2.95Å; D373-T409 VanDerWaalsContact OD2-OG1 3.12Å; D373-V415 HydrophobicContact CB-CG2 4.02Å; D373-H601 IonicContact OD2-CE1 3.41Å |
| 374 | G | 84.8 | Confident | 91.6 | Very high | 3 Ų | 3 | 26.1 Ų | 26.1 | 3% | 0.031 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.7 | -43.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | E371 A378 | E371-G374 CarbonylContact O-C 3.52Å; E371-G374 VanDerWaalsContact O-CA 3.28Å; E371-G374 WeakPolarHBondContact O-CA 3.43Å; E371-G374 PolarHBondContact O-N 3.46Å; G374-A378 WeakPolarHBondContact O-CB 3.44Å; G374-A378 PolarHBondContact O-N 3.03Å |
| 375 | L | 91.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.6 | -43.3 | 176.7 | -74.3 | 169.8 | 0 | 0 | 0 | 112.4 | I292 P294 P347 L369 D370 E371 C372 A378 Y380 I384 | I292-L375 HydrophobicContact CG2-CD1 4.09Å; I292-L375 HydrophobicContact CG2-CD2 3.94Å; P294-L375 HydrophobicContact CB-CD2 3.87Å; P294-L375 HydrophobicContact CB-CG 4.04Å; P347-L375 HydrophobicContact CG-CD2 3.66Å; L369-L375 HydrophobicContact CB-CD1 4.19Å; L369-L375 HydrophobicContact CD2-CD1 4.48Å; D370-L375 WeakPolarHBondContact O-CD1 3.47Å; E371-L375 PolarHBondContact O-N 3.37Å; C372-L375 WeakPolarHBondContact O-CB 3.33Å; C372-L375 PolarHBondContact O-N 2.82Å; L375-A378 PolarHBondContact O-N 3.42Å; L375-Y380 HydrophobicContact CD2-CD2 4.23Å; L375-Y380 WeakPolarHBondContact O-CB 3.36Å; L375-Y380 PolarHBondContact O-N 3.37Å; L375-Y380 VanDerWaalsContact O-N 3.13Å; L375-I384 HydrophobicContact CB-CD1 4.17Å; L375-I384 HydrophobicContact CD1-CD1 4.43Å |
| 376 | L | 91.1 | Very high | 91.7 | Very high | 18 Ų | 18 | 30.3 Ų | 30.3 | 9% | 0.094 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -69 | -46 | 179.4 | -69.1 | 175 | 0 | 0 | 0 | 111.5 | C372 D373 A378 G379 T381 D414 V415 L418 | C372-L376 VanDerWaalsContact O-CG 3.26Å; C372-L376 WeakPolarHBondContact O-CG 3.26Å; C372-L376 PolarHBondContact O-N 3.47Å; D373-L376 PolarHBondContact O-N 3.46Å; L376-A378 PolarHBondContact O-N 2.72Å; L376-G379 WeakPolarHBondContact O-CA 3.4Å; L376-G379 PolarHBondContact O-N 2.92Å; L376-T381 HydrophobicContact CD2-CG2 4.03Å; L376-T381 WeakPolarHBondContact CD2-OG1 3.32Å; L376-D414 HydrophobicContact CD1-CB 3.94Å; L376-V415 HydrophobicContact CD1-CB 4.37Å; L376-V415 HydrophobicContact CD1-CG2 3.75Å; L376-L418 HydrophobicContact CD1-CB 4.32Å; L376-L418 HydrophobicContact CD1-CD2 4.2Å; L376-L418 HydrophobicContact CD2-CD2 3.86Å; L376-L418 HydrophobicContact CG-CD2 4.27Å |
| 377 | T | 84.4 | Confident | 91.6 | Very high | 62 Ų | 62 | 29.8 Ų | 29.8 | 38% | 0.38 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -59 | -36.8 | 176.3 | -49.3 | 0 | 0 | 0 | 0 | 111.5 | D373 G379 | D373-T377 WeakPolarHBondContact O-CB 3.48Å; D373-T377 PolarHBondContact O-N 2.9Å; D373-T377 PolarHBondContact O-OG1 3.28Å; T377-G379 PolarHBondContact O-N 2.92Å |
| 378 | A | 83 | Confident | 91.4 | Very high | 57 Ų | 57 | 30.8 Ų | 30.8 | 47% | 0.471 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -2.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | G374 L375 L376 Y380 | G374-A378 WeakPolarHBondContact O-CB 3.44Å; G374-A378 PolarHBondContact O-N 3.03Å; L375-A378 PolarHBondContact O-N 3.42Å; L376-A378 PolarHBondContact O-N 2.72Å; A378-Y380 HydrophobicContact CB-CD2 3.6Å; A378-Y380 HydrophobicContact CB-CE2 3.49Å; A378-Y380 VanDerWaalsContact CB-CE2 3.49Å |
| 379 | G | 87.8 | Confident | 90.8 | Very high | 55 Ų | 55 | 38.9 Ų | 38.9 | 57% | 0.567 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 84.2 | 23.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L376 T377 | L376-G379 WeakPolarHBondContact O-CA 3.4Å; L376-G379 PolarHBondContact O-N 2.92Å; T377-G379 PolarHBondContact O-N 2.92Å |
| 380 | Y | 94.1 | Very high | 90.2 | Very high | 77 Ų | 77 | 44 Ų | 44 | 30% | 0.302 | 23% | 0.234 | S | C | . | . | trans | -91.4 | 10.9 | -177.2 | -62.7 | -60.4 | 0 | 0 | 0 | 115 | P347 L375 A378 D382 F383 I384 | P347-Y380 HydrophobicContact CB-CD1 3.46Å; P347-Y380 VanDerWaalsContact CB-CD1 3.46Å; P347-Y380 HydrophobicContact CB-CD2 4.03Å; P347-Y380 HydrophobicContact CB-CE1 3.63Å; P347-Y380 HydrophobicContact CB-CE2 4.16Å; P347-Y380 HydrophobicContact CB-CG 3.68Å; P347-Y380 HydrophobicContact CG-CD1 4.06Å; P347-Y380 HydrophobicContact CG-CD2 3.69Å; P347-Y380 HydrophobicContact CG-CE1 4.33Å; P347-Y380 HydrophobicContact CG-CE2 3.97Å; P347-Y380 HydrophobicContact CG-CG 3.73Å; L375-Y380 HydrophobicContact CD2-CD2 4.23Å; L375-Y380 WeakPolarHBondContact O-CB 3.36Å; L375-Y380 PolarHBondContact O-N 3.37Å; L375-Y380 VanDerWaalsContact O-N 3.13Å; A378-Y380 HydrophobicContact CB-CD2 3.6Å; A378-Y380 HydrophobicContact CB-CE2 3.49Å; A378-Y380 VanDerWaalsContact CB-CE2 3.49Å; Y380-D382 VanDerWaalsContact C-N 3.32Å; Y380-D382 PolarHBondContact O-N 3.37Å; Y380-F383 WeakPolarHBondContact O-CB 3.27Å; Y380-F383 PolarHBondContact O-N 2.84Å; Y380-F383 VanDerWaalsContact O-N 3.14Å; Y380-I384 WeakPolarHBondContact O-CG1 3.03Å; Y380-I384 PolarHBondContact O-N 2.88Å | ||
| 381 | T | 91.9 | Very high | 89.8 | Confident | 45 Ų | 45 | 43.8 Ų | 43.8 | 28% | 0.276 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -54.2 | -45.6 | -179.9 | -46.7 | 0 | 0 | 0 | 0 | 112.8 | L376 I384 N385 | L376-T381 HydrophobicContact CD2-CG2 4.03Å; L376-T381 WeakPolarHBondContact CD2-OG1 3.32Å; T381-I384 PolarHBondContact O-N 2.96Å; T381-N385 VanDerWaalsContact O-CG 3.25Å; T381-N385 PolarHBondContact O-N 3.38Å; T381-N385 PolarHBondContact O-ND2 2.78Å; T381-N385 VanDerWaalsContact O-ND2 3.08Å |
| 382 | D | 91.4 | Very high | 89 | Confident | 117 Ų | 117 | 44.6 Ų | 44.6 | 63% | 0.626 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -66.4 | -39.5 | 179.8 | -72.9 | -25.8 | 0 | 0 | 0 | 112 | Y380 N385 R386 | Y380-D382 VanDerWaalsContact C-N 3.32Å; Y380-D382 PolarHBondContact O-N 3.37Å; D382-N385 PolarHBondContact O-N 3.34Å; D382-R386 VanDerWaalsContact O-CG 3.32Å; D382-R386 WeakPolarHBondContact O-CG 3.34Å; D382-R386 PolarHBondContact O-N 3.13Å |
| 383 | F | 94.6 | Very high | 88.3 | Confident | 9 Ų | 9 | 48.5 Ų | 48.5 | 4% | 0.039 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.4 | -49.9 | 174.7 | 164.9 | -100.3 | 0 | 0 | 0 | 111.1 | I292 P347 L350 D351 Y380 N385 R386 I387 | I292-F383 HydrophobicContact CD1-CE1 4.06Å; I292-F383 HydrophobicContact CG2-CE1 4.3Å; P347-F383 HydrophobicContact CB-CD1 3.6Å; P347-F383 HydrophobicContact CB-CE1 3.58Å; P347-F383 HydrophobicContact CB-CG 4.2Å; P347-F383 HydrophobicContact CB-CZ 4.19Å; P347-F383 HydrophobicContact CG-CD1 4.11Å; P347-F383 HydrophobicContact CG-CE1 3.96Å; L350-F383 HydrophobicContact CB-CE2 4.33Å; L350-F383 HydrophobicContact CB-CZ 3.8Å; L350-F383 HydrophobicContact CD1-CZ 4.41Å; D351-F383 HydrophobicContact CB-CD2 3.69Å; D351-F383 HydrophobicContact CB-CE2 3.55Å; Y380-F383 WeakPolarHBondContact O-CB 3.27Å; Y380-F383 PolarHBondContact O-N 2.84Å; Y380-F383 VanDerWaalsContact O-N 3.14Å; F383-N385 VanDerWaalsContact C-N 3.29Å; F383-N385 PolarHBondContact O-N 3.03Å; F383-R386 PolarHBondContact O-N 3.3Å; F383-R386 VanDerWaalsContact O-N 3.14Å; F383-I387 HydrophobicContact CD2-CD1 4.43Å; F383-I387 HydrophobicContact CD2-CG1 3.88Å; F383-I387 HydrophobicContact CE1-CG1 4.12Å; F383-I387 HydrophobicContact CE2-CD1 3.69Å; F383-I387 HydrophobicContact CE2-CG1 3.39Å; F383-I387 HydrophobicContact CG-CG1 4.42Å; F383-I387 HydrophobicContact CZ-CD1 4.05Å; F383-I387 HydrophobicContact CZ-CG1 3.54Å; F383-I387 WeakPolarHBondContact O-CG1 3.13Å; F383-I387 PolarHBondContact O-N 3.06Å |
| 384 | I | 96.7 | Very high | 87 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -56.7 | -46 | 178.3 | -66.8 | 164.4 | 0 | 0 | 0 | 110.3 | L369 L375 Y380 T381 R386 I387 H388 L418 I422 | L369-I384 HydrophobicContact CD1-CD1 4.36Å; L369-I384 HydrophobicContact CD1-CG2 3.82Å; L369-I384 HydrophobicContact CD2-CG1 4.44Å; L369-I384 HydrophobicContact CD2-CG2 4.37Å; L375-I384 HydrophobicContact CB-CD1 4.17Å; L375-I384 HydrophobicContact CD1-CD1 4.43Å; Y380-I384 WeakPolarHBondContact O-CG1 3.03Å; Y380-I384 PolarHBondContact O-N 2.88Å; T381-I384 PolarHBondContact O-N 2.96Å; I384-R386 PolarHBondContact O-N 3.36Å; I384-I387 PolarHBondContact O-N 3.42Å; I384-H388 VanDerWaalsContact O-CB 3.26Å; I384-H388 WeakPolarHBondContact O-CB 3.22Å; I384-H388 PolarHBondContact O-N 3.34Å; I384-L418 HydrophobicContact CD1-CD2 4.16Å; I384-L418 HydrophobicContact CG2-CD1 4.07Å; I384-L418 HydrophobicContact CG2-CD2 4.24Å; I384-I422 HydrophobicContact CG2-CD1 4.26Å |
| 385 | N | 91.4 | Very high | 85.4 | Confident | 22 Ų | 22 | 51.1 Ų | 51.1 | 12% | 0.118 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.2 | -40.9 | 178.1 | -71.4 | -33.3 | 0 | 0 | 0 | 113.3 | T381 D382 F383 K389 R421 | T381-N385 VanDerWaalsContact O-CG 3.25Å; T381-N385 PolarHBondContact O-N 3.38Å; T381-N385 PolarHBondContact O-ND2 2.78Å; T381-N385 VanDerWaalsContact O-ND2 3.08Å; D382-N385 PolarHBondContact O-N 3.34Å; F383-N385 VanDerWaalsContact C-N 3.29Å; F383-N385 PolarHBondContact O-N 3.03Å; N385-K389 WeakPolarHBondContact O-CB 3.41Å; N385-K389 VanDerWaalsContact O-CG 3.26Å; N385-K389 WeakPolarHBondContact O-CG 3.36Å; N385-K389 PolarHBondContact O-N 3.1Å; N385-R421 VanDerWaalsContact CG-CZ 3.43Å; N385-R421 VanDerWaalsContact CG-NH2 3.31Å; N385-R421 PolarHBondContact ND2-NH1 3.17Å; N385-R421 PolarHBondContact ND2-NH2 3.26Å; N385-R421 PolarHBondContact OD1-NE 3.28Å; N385-R421 PolarHBondContact OD1-NH2 3.32Å |
| 386 | R | 90.9 | Very high | 83.2 | Confident | 109 Ų | 109 | 55 Ų | 55 | 41% | 0.411 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.2 | -48 | 177.8 | -72.8 | -169.6 | -40.1 | -123.4 | 5 | 111.2 | D351 D382 F383 I384 K389 Q390 | D351-R386 IonicContact OD1-CZ 2.66Å; D351-R386 IonicContact OD1-NH2 3.04Å; D351-R386 PolarHBondContact OD1-NH2 3.27Å; D351-R386 IonicContact OD2-CZ 2.7Å; D351-R386 IonicContact OD2-NH2 3.66Å; D351-R386 PolarHBondContact OD2-NH2 3.06Å; D382-R386 VanDerWaalsContact O-CG 3.32Å; D382-R386 WeakPolarHBondContact O-CG 3.34Å; D382-R386 PolarHBondContact O-N 3.13Å; F383-R386 PolarHBondContact O-N 3.3Å; F383-R386 VanDerWaalsContact O-N 3.14Å; I384-R386 PolarHBondContact O-N 3.36Å; R386-K389 PolarHBondContact O-N 3.02Å; R386-Q390 WeakPolarHBondContact O-CG 3.04Å; R386-Q390 PolarHBondContact O-N 2.94Å |
| 387 | I | 92.9 | Very high | 81.1 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.2 | -48.9 | 178.4 | -67.1 | -65.8 | 0 | 0 | 0 | 110.1 | L290 V354 L361 F383 I384 K389 Q390 I391 | L290-I387 HydrophobicContact CD2-CG2 3.82Å; V354-I387 HydrophobicContact CB-CD1 4.13Å; V354-I387 HydrophobicContact CG1-CD1 3.89Å; V354-I387 HydrophobicContact CG2-CD1 3.97Å; L361-I387 HydrophobicContact CD1-CB 4.46Å; L361-I387 HydrophobicContact CD1-CD1 3.75Å; L361-I387 HydrophobicContact CD1-CG2 3.95Å; F383-I387 HydrophobicContact CD2-CD1 4.43Å; F383-I387 HydrophobicContact CD2-CG1 3.88Å; F383-I387 HydrophobicContact CE1-CG1 4.12Å; F383-I387 HydrophobicContact CE2-CD1 3.69Å; F383-I387 HydrophobicContact CE2-CG1 3.39Å; F383-I387 HydrophobicContact CG-CG1 4.42Å; F383-I387 HydrophobicContact CZ-CD1 4.05Å; F383-I387 HydrophobicContact CZ-CG1 3.54Å; F383-I387 WeakPolarHBondContact O-CG1 3.13Å; F383-I387 PolarHBondContact O-N 3.06Å; I384-I387 PolarHBondContact O-N 3.42Å; I387-K389 VanDerWaalsContact C-N 3.32Å; I387-K389 PolarHBondContact O-N 2.74Å; I387-Q390 PolarHBondContact O-N 2.8Å; I387-I391 HydrophobicContact CG2-CD1 3.77Å; I387-I391 HydrophobicContact CG2-CG1 4.37Å; I387-I391 WeakPolarHBondContact O-CG1 3.35Å; I387-I391 PolarHBondContact O-N 2.94Å |
| 388 | H | 92.9 | Very high | 79.3 | Confident | 22 Ų | 22 | 55.3 Ų | 55.3 | 10% | 0.102 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -54.6 | -47 | 176.6 | -179.5 | -101.9 | 0 | 0 | 0 | 111.9 | L367 I384 Q390 I391 Q393 I422 | L367-H388 HydrophobicContact CD2-CB 4.49Å; I384-H388 VanDerWaalsContact O-CB 3.26Å; I384-H388 WeakPolarHBondContact O-CB 3.22Å; I384-H388 PolarHBondContact O-N 3.34Å; H388-Q390 VanDerWaalsContact C-N 3.28Å; H388-Q390 PolarHBondContact O-N 2.96Å; H388-I391 PolarHBondContact O-N 2.6Å; H388-Q393 PolarHBondContact CE1-OE1 3.05Å; H388-Q393 VanDerWaalsContact CE1-OE1 3.25Å; H388-Q393 PolarHBondContact NE2-OE1 3.13Å; H388-Q393 PolarHBondContact O-NE2 3.17Å; H388-I422 HydrophobicContact CB-CG2 4.47Å; H388-I422 PolarHBondContact NE2-O 3.27Å |
| 389 | K | 86.3 | Confident | 78.1 | Confident | 169 Ų | 169 | 58.8 Ų | 58.8 | 74% | 0.735 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -63.5 | -29.2 | 177.2 | -76.2 | 176 | -179.4 | -177.8 | 0 | 114.1 | N385 R386 I387 | N385-K389 WeakPolarHBondContact O-CB 3.41Å; N385-K389 VanDerWaalsContact O-CG 3.26Å; N385-K389 WeakPolarHBondContact O-CG 3.36Å; N385-K389 PolarHBondContact O-N 3.1Å; R386-K389 PolarHBondContact O-N 3.02Å; I387-K389 VanDerWaalsContact C-N 3.32Å; I387-K389 PolarHBondContact O-N 2.74Å |
| 390 | Q | 84.8 | Confident | 77.6 | Confident | 107 Ų | 107 | 59.7 Ų | 59.7 | 50% | 0.5 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -83.7 | -23.9 | 178.8 | -71.3 | 177.7 | 15.1 | 0 | 0 | 112.7 | L361 R386 I387 H388 | L361-Q390 HydrophobicContact CD1-CB 3.8Å; R386-Q390 WeakPolarHBondContact O-CG 3.04Å; R386-Q390 PolarHBondContact O-N 2.94Å; I387-Q390 PolarHBondContact O-N 2.8Å; H388-Q390 VanDerWaalsContact C-N 3.28Å; H388-Q390 PolarHBondContact O-N 2.96Å |
| 391 | I | 85.4 | Confident | 77.2 | Confident | 3 Ų | 3 | 56.2 Ų | 56.2 | 2% | 0.015 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -71.1 | 133.8 | 173.9 | -65.9 | 163 | 0 | 0 | 0 | 109.2 | L361 V364 L367 I387 H388 Q393 L401 | L361-I391 HydrophobicContact CB-CG1 3.97Å; L361-I391 HydrophobicContact CD1-CG1 4.16Å; L361-I391 HydrophobicContact CG-CG1 4.45Å; V364-I391 HydrophobicContact CB-CD1 4.4Å; V364-I391 HydrophobicContact CB-CG1 4.12Å; V364-I391 HydrophobicContact CB-CG2 3.9Å; V364-I391 HydrophobicContact CG1-CD1 3.92Å; V364-I391 HydrophobicContact CG1-CG1 4.19Å; V364-I391 HydrophobicContact CG1-CG2 4.01Å; L367-I391 HydrophobicContact CB-CD1 4.38Å; L367-I391 HydrophobicContact CD1-CD1 4.11Å; L367-I391 HydrophobicContact CD2-CD1 4.1Å; L367-I391 HydrophobicContact CG-CD1 4.44Å; I387-I391 HydrophobicContact CG2-CD1 3.77Å; I387-I391 HydrophobicContact CG2-CG1 4.37Å; I387-I391 WeakPolarHBondContact O-CG1 3.35Å; I387-I391 PolarHBondContact O-N 2.94Å; H388-I391 PolarHBondContact O-N 2.6Å; I391-Q393 PolarHBondContact O-N 2.63Å; I391-Q393 VanDerWaalsContact O-N 3.12Å; I391-Q393 PolarHBondContact O-NE2 3.21Å; I391-L401 HydrophobicContact CB-CD2 4.2Å; I391-L401 HydrophobicContact CG2-CD1 3.67Å; I391-L401 HydrophobicContact CG2-CD2 3.68Å; I391-L401 HydrophobicContact CG2-CG 4.18Å |
| 392 | P | 74.4 | Confident | 77.1 | Confident | 41 Ų | 41 | 54.6 Ų | 54.6 | 27% | 0.266 | 27% | 0.274 | S | S | . | . | trans | -58.6 | 117.9 | 171.9 | -24.7 | 35.5 | 0 | 0 | 0 | 111.4 | L361 S362 V394 | L361-P392 VanDerWaalsContact O-CD 3.23Å; L361-P392 WeakPolarHBondContact O-CD 3.45Å; S362-P392 WeakPolarHBondContact O-CG 3.42Å; P392-V394 PolarHBondContact O-N 3.22Å | ||
| 393 | Q | 76.8 | Confident | 77.3 | Confident | 83 Ų | 83 | 49.1 Ų | 49.1 | 39% | 0.388 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -70.3 | -25.7 | -179.8 | -59.9 | -60.7 | -60.6 | 0 | 0 | 112.4 | H388 I391 R400 L401 | H388-Q393 PolarHBondContact CE1-OE1 3.05Å; H388-Q393 VanDerWaalsContact CE1-OE1 3.25Å; H388-Q393 PolarHBondContact NE2-OE1 3.13Å; H388-Q393 PolarHBondContact O-NE2 3.17Å; I391-Q393 PolarHBondContact O-N 2.63Å; I391-Q393 VanDerWaalsContact O-N 3.12Å; I391-Q393 PolarHBondContact O-NE2 3.21Å; Q393-R400 CarbonylContact O-C 3.51Å; Q393-R400 VanDerWaalsContact O-CA 3.32Å; Q393-R400 WeakPolarHBondContact O-CA 3.29Å; Q393-L401 PolarHBondContact O-N 3.05Å |
| 394 | V | 59.3 | Low | 77.5 | Confident | 69 Ų | 69 | 48.7 Ų | 48.7 | 42% | 0.418 | 24% | 0.243 | S | C | . | . | B | Isolated β-bridge | trans | -135.2 | 141.5 | 174 | -176.8 | 0 | 0 | 0 | 0 | 108.2 | P392 K399 | P392-V394 PolarHBondContact O-N 3.22Å; V394-K399 CarbonylContact C-O 3.53Å; V394-K399 WeakPolarHBondContact CA-O 3.06Å |
| 395 | T | 51.9 | Low | 77.4 | Confident | 6 Ų | 6 | 48.7 Ų | 48.7 | 4% | 0.037 | 24% | 0.242 | C | C | . | . | trans | -97 | 166.1 | -170.1 | 72.6 | 0 | 0 | 0 | 0 | 110.2 | D397 G398 K399 | T395-D397 WeakPolarHBondContact CB-OD1 3.39Å; T395-D397 PolarHBondContact O-N 2.83Å; T395-D397 PolarHBondContact OG1-OD1 3.2Å; T395-G398 PolarHBondContact O-N 2.82Å; T395-G398 PolarHBondContact OG1-N 2.94Å; T395-K399 WeakPolarHBondContact CB-O 3.29Å; T395-K399 HydrophobicContact CG2-CB 4.31Å; T395-K399 WeakPolarHBondContact CG2-O 3.13Å; T395-K399 PolarHBondContact N-O 3.06Å; T395-K399 PolarHBondContact OG1-N 2.91Å; T395-K399 PolarHBondContact OG1-O 3.37Å | ||
| 396 | S | 45.4 | Very low | 77.5 | Confident | 81 Ų | 81 | 47.6 Ų | 47.6 | 57% | 0.566 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -18.4 | 177 | 50.5 | 0 | 0 | 0 | 0 | 113.8 | T83 | T83-S396 VanDerWaalsContact OG1-CA 3.24Å; T83-S396 WeakPolarHBondContact OG1-CA 3.5Å; T83-S396 PolarHBondContact OG1-O 2.81Å |
| 397 | D | 46.7 | Very low | 77.3 | Confident | 61 Ų | 61 | 42.4 Ų | 42.4 | 33% | 0.326 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96 | 10.2 | 173.2 | 57.3 | -43.3 | 0 | 0 | 0 | 112.9 | T395 K399 | T395-D397 WeakPolarHBondContact CB-OD1 3.39Å; T395-D397 PolarHBondContact O-N 2.83Å; T395-D397 PolarHBondContact OG1-OD1 3.2Å; D397-K399 PolarHBondContact O-N 3.45Å; D397-K399 WeakPolarHBondContact OD2-CD 3.4Å |
| 398 | G | 46.3 | Very low | 76.4 | Confident | 26 Ų | 26 | 43 Ų | 43 | 27% | 0.268 | 22% | 0.222 | S | C | . | . | S | Bend | trans | 78 | -0.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | T395 | T395-G398 PolarHBondContact O-N 2.82Å; T395-G398 PolarHBondContact OG1-N 2.94Å |
| 399 | K | 59.3 | Low | 75.4 | Confident | 129 Ų | 129 | 42.2 Ų | 42.2 | 56% | 0.561 | 22% | 0.219 | S | C | * | . | P | Polyproline II helix | trans | -71.8 | 152.9 | 171.4 | -62.8 | -174.7 | -179.4 | -178.9 | 0 | 109.2 | V394 T395 D397 | V394-K399 CarbonylContact C-O 3.53Å; V394-K399 WeakPolarHBondContact CA-O 3.06Å; T395-K399 WeakPolarHBondContact CB-O 3.29Å; T395-K399 HydrophobicContact CG2-CB 4.31Å; T395-K399 WeakPolarHBondContact CG2-O 3.13Å; T395-K399 PolarHBondContact N-O 3.06Å; T395-K399 PolarHBondContact OG1-N 2.91Å; T395-K399 PolarHBondContact OG1-O 3.37Å; D397-K399 PolarHBondContact O-N 3.45Å; D397-K399 WeakPolarHBondContact OD2-CD 3.4Å |
| 400 | R | 77 | Confident | 74.7 | Confident | 74 Ų | 74 | 34.2 Ų | 34.2 | 28% | 0.279 | 18% | 0.184 | S | C | . | . | B | Isolated β-bridge | trans | -89.5 | 162.9 | 173.1 | 64.9 | 179.3 | -169.6 | 79.9 | 4.9 | 110.3 | G39 D41 Q393 Q402 | G39-R400 PolarHBondContact O-NH2 2.63Å; D41-R400 VanDerWaalsContact N-NH2 3.12Å; D41-R400 IonicContact OD1-CZ 2.87Å; D41-R400 VanDerWaalsContact OD1-CZ 3.22Å; D41-R400 IonicContact OD1-NH1 3.14Å; D41-R400 PolarHBondContact OD1-NH1 2.82Å; D41-R400 IonicContact OD1-NH2 3.83Å; D41-R400 PolarHBondContact OD1-NH2 3.3Å; D41-R400 IonicContact OD2-NH1 3.65Å; D41-R400 PolarHBondContact OD2-NH1 2.8Å; Q393-R400 CarbonylContact O-C 3.51Å; Q393-R400 VanDerWaalsContact O-CA 3.32Å; Q393-R400 WeakPolarHBondContact O-CA 3.29Å; R400-Q402 PolarHBondContact O-N 3.32Å |
| 401 | L | 84 | Confident | 73.8 | Confident | 5 Ų | 5 | 33.6 Ų | 33.6 | 3% | 0.026 | 18% | 0.181 | C | C | . | . | P | Polyproline II helix | trans | -59 | 127.9 | 162.4 | 175.4 | 63.3 | 0 | 0 | 0 | 108.7 | V364 R365 L367 I391 Q393 V403 | V364-L401 HydrophobicContact CG1-CD1 4.29Å; R365-L401 WeakPolarHBondContact O-CD1 3.36Å; L367-L401 HydrophobicContact CB-CD1 4.19Å; I391-L401 HydrophobicContact CB-CD2 4.2Å; I391-L401 HydrophobicContact CG2-CD1 3.67Å; I391-L401 HydrophobicContact CG2-CD2 3.68Å; I391-L401 HydrophobicContact CG2-CG 4.18Å; Q393-L401 PolarHBondContact O-N 3.05Å; L401-V403 HydrophobicContact CD2-CG2 4Å; L401-V403 HydrophobicContact CG-CG2 3.96Å |
| 402 | Q | 91.1 | Very high | 73.3 | Confident | 11 Ų | 11 | 34.2 Ų | 34.2 | 5% | 0.051 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 129.6 | 169.5 | -170.2 | 175.7 | -0.2 | 0 | 0 | 108.9 | I36 G40 D41 R365 F366 L367 R400 | I36-Q402 PolarHBondContact O-NE2 3.37Å; G40-Q402 WeakPolarHBondContact O-CG 3.42Å; G40-Q402 PolarHBondContact O-NE2 3.49Å; D41-Q402 WeakPolarHBondContact OD1-CA 3.04Å; R365-Q402 PolarHBondContact O-N 3.11Å; F366-Q402 WeakPolarHBondContact CA-O 3.08Å; F366-Q402 HydrophobicContact CD1-CB 4.03Å; F366-Q402 HydrophobicContact CE1-CB 4.27Å; L367-Q402 PolarHBondContact N-O 3.46Å; R400-Q402 PolarHBondContact O-N 3.32Å |
| 403 | V | 95.5 | Very high | 73.3 | Confident | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.012 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 128.1 | -179.9 | -172.5 | 0 | 0 | 0 | 0 | 109.1 | D41 V42 L367 L401 V405 I422 M423 | D41-V403 WeakPolarHBondContact CA-O 3.39Å; D41-V403 WeakPolarHBondContact CB-O 3.34Å; D41-V403 VanDerWaalsContact CG-O 3.29Å; D41-V403 PolarHBondContact OD1-N 2.89Å; V42-V403 PolarHBondContact N-O 2.94Å; L367-V403 HydrophobicContact CB-CG2 4.43Å; L367-V403 WeakPolarHBondContact O-CA 3.41Å; L401-V403 HydrophobicContact CD2-CG2 4Å; L401-V403 HydrophobicContact CG-CG2 3.96Å; V403-V405 HydrophobicContact CG1-CG2 4.12Å; V403-I422 HydrophobicContact CG1-CD1 4.1Å; V403-I422 HydrophobicContact CG1-CG1 4.24Å; V403-M423 HydrophobicContact CB-CG 4.15Å; V403-M423 HydrophobicContact CG1-CG 3.94Å; V403-M423 VanDerWaalsContact O-CE 3.23Å; V403-M423 WeakPolarHBondContact O-CE 3.35Å |
| 404 | I | 97.6 | Very high | 73.6 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 127.1 | 177.9 | -59.2 | 153.8 | 0 | 0 | 0 | 107.1 | I36 V42 M44 F56 V60 L367 V368 L369 | I36-I404 HydrophobicContact CD1-CD1 4.06Å; I36-I404 HydrophobicContact CD1-CG1 4.3Å; I36-I404 HydrophobicContact CD1-CG2 4.17Å; I36-I404 HydrophobicContact CG1-CD1 4.2Å; I36-I404 HydrophobicContact CG1-CG1 4.28Å; I36-I404 HydrophobicContact CG2-CD1 3.69Å; I36-I404 HydrophobicContact CG2-CG1 4.49Å; V42-I404 WeakPolarHBondContact O-CA 3.24Å; M44-I404 HydrophobicContact CE-CG2 3.88Å; F56-I404 HydrophobicContact CB-CG2 3.96Å; V60-I404 HydrophobicContact CG2-CD1 3.73Å; L367-I404 PolarHBondContact O-N 3.5Å; V368-I404 CarbonylContact C-O 3.55Å; V368-I404 VanDerWaalsContact CA-O 3.3Å; V368-I404 WeakPolarHBondContact CA-O 3.33Å; V368-I404 HydrophobicContact CG1-CB 4.35Å; V368-I404 HydrophobicContact CG1-CG2 4.38Å; V368-I404 HydrophobicContact CG2-CB 4.24Å; V368-I404 HydrophobicContact CG2-CD1 4.09Å; L369-I404 PolarHBondContact N-O 2.83Å |
| 405 | V | 96.4 | Very high | 74.9 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 121.4 | -179.2 | 175.2 | 0 | 0 | 0 | 0 | 108.3 | V42 L43 M44 L369 C372 V403 V415 M423 | V42-V405 PolarHBondContact O-N 2.94Å; L43-V405 CarbonylContact C-O 3.58Å; L43-V405 WeakPolarHBondContact CA-O 3.42Å; L43-V405 HydrophobicContact CD1-CB 3.47Å; L43-V405 VanDerWaalsContact CD1-CB 3.47Å; L43-V405 HydrophobicContact CD1-CG1 3.38Å; L43-V405 HydrophobicContact CD1-CG2 4.48Å; M44-V405 PolarHBondContact N-O 2.97Å; L369-V405 HydrophobicContact CB-CG2 4.27Å; L369-V405 HydrophobicContact CD1-CG2 4.15Å; L369-V405 HydrophobicContact CG-CG2 4.39Å; C372-V405 HydrophobicContact CB-CG1 3.58Å; V403-V405 HydrophobicContact CG1-CG2 4.12Å; V405-V415 HydrophobicContact CG1-CG1 4.49Å; V405-M423 HydrophobicContact CB-CE 4.05Å; V405-M423 HydrophobicContact CB-SD 3.93Å; V405-M423 HydrophobicContact CG2-CE 3.85Å; V405-M423 HydrophobicContact CG2-CG 4.19Å; V405-M423 HydrophobicContact CG2-SD 3.51Å; V405-M423 VanDerWaalsContact CG2-SD 3.51Å |
| 406 | C | 93 | Very high | 76.2 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 130.5 | 175.8 | -53.1 | 0 | 0 | 0 | 0 | 108.1 | M44 K52 F56 L369 D370 E371 C372 | M44-C406 HydrophobicContact CG-CB 3.95Å; M44-C406 VanDerWaalsContact CG-SG 3.53Å; M44-C406 HydrophobicContact SD-CB 4.42Å; M44-C406 PolarHBondContact SD-SG 3.33Å; K52-C406 HydrophobicContact CD-CB 4.4Å; F56-C406 VanDerWaalsContact CD1-SG 3.52Å; L369-C406 PolarHBondContact O-N 3.45Å; D370-C406 VanDerWaalsContact OD1-CB 3.29Å; D370-C406 WeakPolarHBondContact OD1-CB 3.4Å; E371-C406 PolarHBondContact N-O 2.86Å; E371-C406 VanDerWaalsContact N-O 3.16Å; C372-C406 WeakPolarHBondContact CB-O 3.46Å; C372-C406 PolarHBondContact N-O 3.27Å |
| 407 | S | 87.3 | Confident | 78.1 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 154.9 | 177.3 | -171.4 | 0 | 0 | 0 | 0 | 109.9 | M44 A45 D373 T409 | M44-S407 PolarHBondContact O-N 2.71Å; A45-S407 WeakPolarHBondContact CA-O 3.42Å; D373-S407 WeakPolarHBondContact CB-OG 3.15Å; D373-S407 PolarHBondContact OD1-OG 3.25Å; D373-S407 PolarHBondContact OD2-OG 3.16Å; S407-T409 PolarHBondContact OG-N 2.74Å; S407-T409 VanDerWaalsContact OG-N 3.07Å; S407-T409 PolarHBondContact OG-O 3.12Å |
| 408 | A | 73.7 | Confident | 80.1 | Confident | 13 Ų | 13 | 40 Ų | 40 | 11% | 0.107 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -75.6 | -17.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | K432 H601 | A408-K432 WeakPolarHBondContact O-CD 3.39Å; A408-K432 PolarHBondContact O-NZ 3.4Å; A408-H601 WeakPolarHBondContact CB-NE2 3.38Å |
| 409 | T | 70.4 | Confident | 81.9 | Confident | 6 Ų | 6 | 38.9 Ų | 38.9 | 4% | 0.037 | 18% | 0.179 | C | C | . | . | trans | -137.8 | 104.9 | -177.6 | 58 | 0 | 0 | 0 | 0 | 110.6 | D373 S407 S412 D435 | D373-T409 PolarHBondContact OD2-OG1 2.95Å; D373-T409 VanDerWaalsContact OD2-OG1 3.12Å; S407-T409 PolarHBondContact OG-N 2.74Å; S407-T409 VanDerWaalsContact OG-N 3.07Å; S407-T409 PolarHBondContact OG-O 3.12Å; T409-S412 PolarHBondContact O-OG 2.72Å; T409-D435 WeakPolarHBondContact CG2-OD1 3.46Å | ||
| 410 | L | 72.4 | Confident | 82.9 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -81.8 | -22.7 | 173.4 | -72.5 | -172.6 | 0 | 0 | 0 | 113.2 | L43 A45 S412 V415 W428 D430 | L43-L410 HydrophobicContact CD1-CD2 3.31Å; L43-L410 HydrophobicContact CD2-CD1 4.47Å; L43-L410 HydrophobicContact CD2-CD2 4Å; L43-L410 HydrophobicContact CG-CD1 3.92Å; L43-L410 HydrophobicContact CG-CD2 3.34Å; L43-L410 HydrophobicContact CG-CG 4.19Å; L43-L410 WeakPolarHBondContact O-CD1 3.28Å; A45-L410 HydrophobicContact CB-CB 4.1Å; A45-L410 HydrophobicContact CB-CD1 3.62Å; A45-L410 HydrophobicContact CB-CD2 4.5Å; A45-L410 HydrophobicContact CB-CG 3.39Å; L410-S412 VanDerWaalsContact C-N 3.3Å; L410-S412 PolarHBondContact O-N 2.96Å; L410-V415 HydrophobicContact CD2-CG1 4.33Å; L410-W428 HydrophobicContact CB-CE3 4.24Å; L410-W428 HydrophobicContact CB-CZ3 3.85Å; L410-W428 HydrophobicContact CD1-CE3 3.99Å; L410-W428 HydrophobicContact CD1-CZ3 4.43Å; L410-D430 HydrophobicContact CD1-CB 4.28Å |
| 411 | H | 65.9 | Low | 83.2 | Confident | 94 Ų | 94 | 41.5 Ų | 41.5 | 44% | 0.435 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -83.2 | -1.7 | -179.2 | -59.8 | -63.5 | 0 | 0 | 0 | 114.2 | F413 D430 G433 | H411-F413 PolarHBondContact O-N 2.96Å; H411-D430 IonicContact CD2-OD2 2.67Å; H411-D430 IonicContact CE1-OD2 2.92Å; H411-D430 IonicContact NE2-OD2 2.71Å; H411-D430 PolarHBondContact NE2-OD2 2.98Å; H411-G433 PolarHBondContact CD2-O 3.36Å |
| 412 | S | 75.7 | Confident | 83.3 | Confident | 17 Ų | 17 | 41.7 Ų | 41.7 | 12% | 0.119 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -66.7 | 134.1 | 173.1 | 67.4 | 0 | 0 | 0 | 0 | 109.8 | T409 L410 D414 V415 K416 | T409-S412 PolarHBondContact O-OG 2.72Å; L410-S412 VanDerWaalsContact C-N 3.3Å; L410-S412 PolarHBondContact O-N 2.96Å; S412-D414 PolarHBondContact O-N 2.74Å; S412-V415 PolarHBondContact O-N 3.18Å; S412-V415 VanDerWaalsContact OG-CB 3.23Å; S412-V415 WeakPolarHBondContact OG-CB 3.25Å; S412-V415 WeakPolarHBondContact OG-CG2 3.48Å; S412-K416 PolarHBondContact O-N 3Å |
| 413 | F | 73.1 | Confident | 82.9 | Confident | 152 Ų | 152 | 41.9 Ų | 41.9 | 67% | 0.667 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -55.6 | -40.5 | -176.2 | 177.2 | -98.5 | 0 | 0 | 0 | 111.9 | H411 K417 | H411-F413 PolarHBondContact O-N 2.96Å; F413-K417 HydrophobicContact CE1-CD 3.92Å; F413-K417 HydrophobicContact CZ-CD 4.25Å; F413-K417 WeakPolarHBondContact O-CB 3.2Å; F413-K417 PolarHBondContact O-N 3.26Å |
| 414 | D | 83.3 | Confident | 81.8 | Confident | 101 Ų | 101 | 46.1 Ų | 46.1 | 54% | 0.54 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -71.3 | -39.1 | -178 | -66.1 | -44.2 | 0 | 0 | 0 | 113 | L376 S412 L418 | L376-D414 HydrophobicContact CD1-CB 3.94Å; S412-D414 PolarHBondContact O-N 2.74Å; D414-L418 WeakPolarHBondContact O-CB 3.47Å; D414-L418 PolarHBondContact O-N 2.93Å |
| 415 | V | 87.2 | Confident | 80 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.6 | -48.5 | 174.6 | 172.9 | 0 | 0 | 0 | 0 | 109.5 | L43 C372 D373 L376 V405 L410 S412 K417 L418 S419 | L43-V415 HydrophobicContact CD1-CG1 4.41Å; C372-V415 HydrophobicContact CB-CG2 4.46Å; D373-V415 HydrophobicContact CB-CG2 4.02Å; L376-V415 HydrophobicContact CD1-CB 4.37Å; L376-V415 HydrophobicContact CD1-CG2 3.75Å; V405-V415 HydrophobicContact CG1-CG1 4.49Å; L410-V415 HydrophobicContact CD2-CG1 4.33Å; S412-V415 PolarHBondContact O-N 3.18Å; S412-V415 VanDerWaalsContact OG-CB 3.23Å; S412-V415 WeakPolarHBondContact OG-CB 3.25Å; S412-V415 WeakPolarHBondContact OG-CG2 3.48Å; V415-K417 PolarHBondContact O-N 3.43Å; V415-L418 PolarHBondContact O-N 3.37Å; V415-S419 WeakPolarHBondContact O-CB 3.25Å; V415-S419 PolarHBondContact O-N 3.02Å; V415-S419 PolarHBondContact O-OG 3.14Å |
| 416 | K | 79.7 | Confident | 79.3 | Confident | 95 Ų | 95 | 55.1 Ų | 55.1 | 41% | 0.413 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -57 | -48 | 178.1 | -172.6 | 175.2 | -179.1 | 176.7 | 0 | 111.9 | S412 L418 S419 E420 W428 | S412-K416 PolarHBondContact O-N 3Å; K416-L418 PolarHBondContact O-N 3.09Å; K416-S419 PolarHBondContact O-N 3.43Å; K416-E420 VanDerWaalsContact CE-OE1 3.26Å; K416-E420 WeakPolarHBondContact CE-OE1 3.22Å; K416-E420 WeakPolarHBondContact O-CB 3.41Å; K416-E420 WeakPolarHBondContact O-CG 3.22Å; K416-E420 PolarHBondContact O-N 3Å; K416-W428 HydrophobicContact CD-CH2 4.4Å; K416-W428 HydrophobicContact CG-CH2 4.31Å; K416-W428 HydrophobicContact CG-CZ2 4.44Å |
| 417 | K | 83.9 | Confident | 78.6 | Confident | 111 Ų | 111 | 58 Ų | 58 | 48% | 0.483 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.9 | -36.8 | 178.3 | -175.8 | 178.6 | -178 | 179.6 | 0 | 113 | F413 V415 R421 | F413-K417 HydrophobicContact CE1-CD 3.92Å; F413-K417 HydrophobicContact CZ-CD 4.25Å; F413-K417 WeakPolarHBondContact O-CB 3.2Å; F413-K417 PolarHBondContact O-N 3.26Å; V415-K417 PolarHBondContact O-N 3.43Å; K417-R421 PolarHBondContact O-N 3.25Å |
| 418 | L | 88.9 | Confident | 78.5 | Confident | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67 | -48.8 | 173.8 | 176.6 | 66.4 | 0 | 0 | 0 | 110.3 | L369 L376 I384 D414 V415 K416 E420 R421 I422 | L369-L418 HydrophobicContact CD1-CD2 3.95Å; L376-L418 HydrophobicContact CD1-CB 4.32Å; L376-L418 HydrophobicContact CD1-CD2 4.2Å; L376-L418 HydrophobicContact CD2-CD2 3.86Å; L376-L418 HydrophobicContact CG-CD2 4.27Å; I384-L418 HydrophobicContact CD1-CD2 4.16Å; I384-L418 HydrophobicContact CG2-CD1 4.07Å; I384-L418 HydrophobicContact CG2-CD2 4.24Å; D414-L418 WeakPolarHBondContact O-CB 3.47Å; D414-L418 PolarHBondContact O-N 2.93Å; V415-L418 PolarHBondContact O-N 3.37Å; K416-L418 PolarHBondContact O-N 3.09Å; L418-E420 PolarHBondContact O-N 3.39Å; L418-R421 WeakPolarHBondContact O-CA 3.47Å; L418-R421 WeakPolarHBondContact O-CB 3.19Å; L418-R421 PolarHBondContact O-N 3.18Å; L418-I422 HydrophobicContact CD1-CD1 4.06Å; L418-I422 HydrophobicContact CD1-CG2 3.91Å; L418-I422 HydrophobicContact CD2-CD1 4.23Å; L418-I422 HydrophobicContact CG-CD1 3.89Å; L418-I422 HydrophobicContact CG-CG1 4.39Å; L418-I422 WeakPolarHBondContact O-CG1 3.36Å; L418-I422 PolarHBondContact O-N 3.12Å |
| 419 | S | 84.6 | Confident | 79.1 | Confident | 3 Ų | 3 | 62.7 Ų | 62.7 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.5 | -46.2 | -179.2 | -62.4 | 0 | 0 | 0 | 0 | 111.9 | L43 V415 K416 R421 I422 M423 | L43-S419 WeakPolarHBondContact CD1-OG 3.39Å; V415-S419 WeakPolarHBondContact O-CB 3.25Å; V415-S419 PolarHBondContact O-N 3.02Å; V415-S419 PolarHBondContact O-OG 3.14Å; K416-S419 PolarHBondContact O-N 3.43Å; S419-R421 PolarHBondContact O-N 3.18Å; S419-R421 VanDerWaalsContact O-N 3.12Å; S419-I422 PolarHBondContact O-N 3.12Å; S419-M423 VanDerWaalsContact O-CB 3.26Å; S419-M423 WeakPolarHBondContact O-CB 3.18Å; S419-M423 WeakPolarHBondContact O-CG 3.47Å; S419-M423 PolarHBondContact O-N 2.7Å |
| 420 | E | 80.4 | Confident | 79.7 | Confident | 137 Ų | 137 | 64.6 Ų | 64.6 | 64% | 0.64 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -57.6 | -26.1 | 174.4 | -74.5 | 171.8 | -179.6 | 0 | 0 | 113.2 | K416 L418 | K416-E420 VanDerWaalsContact CE-OE1 3.26Å; K416-E420 WeakPolarHBondContact CE-OE1 3.22Å; K416-E420 WeakPolarHBondContact O-CB 3.41Å; K416-E420 WeakPolarHBondContact O-CG 3.22Å; K416-E420 PolarHBondContact O-N 3Å; L418-E420 PolarHBondContact O-N 3.39Å |
| 421 | R | 83.1 | Confident | 79.9 | Confident | 121 Ų | 121 | 68.6 Ų | 68.6 | 46% | 0.457 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -89.7 | -33.9 | -178.3 | -178.2 | 174.4 | 62.9 | -155.6 | -10.7 | 113.9 | N385 K417 L418 S419 | N385-R421 VanDerWaalsContact CG-CZ 3.43Å; N385-R421 VanDerWaalsContact CG-NH2 3.31Å; N385-R421 PolarHBondContact ND2-NH1 3.17Å; N385-R421 PolarHBondContact ND2-NH2 3.26Å; N385-R421 PolarHBondContact OD1-NE 3.28Å; N385-R421 PolarHBondContact OD1-NH2 3.32Å; K417-R421 PolarHBondContact O-N 3.25Å; L418-R421 WeakPolarHBondContact O-CA 3.47Å; L418-R421 WeakPolarHBondContact O-CB 3.19Å; L418-R421 PolarHBondContact O-N 3.18Å; S419-R421 PolarHBondContact O-N 3.18Å; S419-R421 VanDerWaalsContact O-N 3.12Å |
| 422 | I | 85.8 | Confident | 79.8 | Confident | 9 Ų | 9 | 66 Ų | 66 | 5% | 0.046 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -111.5 | -20.1 | -170.8 | 71.8 | 175.9 | 0 | 0 | 0 | 113.7 | L369 I384 H388 V403 L418 S419 | L369-I422 HydrophobicContact CD1-CD1 3.5Å; L369-I422 VanDerWaalsContact CD1-CD1 3.5Å; I384-I422 HydrophobicContact CG2-CD1 4.26Å; H388-I422 HydrophobicContact CB-CG2 4.47Å; H388-I422 PolarHBondContact NE2-O 3.27Å; V403-I422 HydrophobicContact CG1-CD1 4.1Å; V403-I422 HydrophobicContact CG1-CG1 4.24Å; L418-I422 HydrophobicContact CD1-CD1 4.06Å; L418-I422 HydrophobicContact CD1-CG2 3.91Å; L418-I422 HydrophobicContact CD2-CD1 4.23Å; L418-I422 HydrophobicContact CG-CD1 3.89Å; L418-I422 HydrophobicContact CG-CG1 4.39Å; L418-I422 WeakPolarHBondContact O-CG1 3.36Å; L418-I422 PolarHBondContact O-N 3.12Å; S419-I422 PolarHBondContact O-N 3.12Å |
| 423 | M | 83.7 | Confident | 79 | Confident | 16 Ų | 16 | 66.8 Ų | 66.8 | 8% | 0.079 | 32% | 0.318 | C | S | . | . | trans | -100.4 | 151.1 | -177.7 | -52 | -178.7 | 82.6 | 0 | 0 | 110.8 | D41 V42 L43 V403 V405 S419 P426 | D41-M423 HydrophobicContact CB-CB 4.29Å; D41-M423 HydrophobicContact CB-CE 3.95Å; D41-M423 VanDerWaalsContact OD2-CA 3.27Å; D41-M423 WeakPolarHBondContact OD2-CA 3.11Å; V42-M423 VanDerWaalsContact O-CE 3.23Å; V42-M423 WeakPolarHBondContact O-CE 3.47Å; L43-M423 HydrophobicContact CB-CE 4.09Å; L43-M423 HydrophobicContact CB-SD 4.17Å; L43-M423 HydrophobicContact CD1-SD 4.11Å; V403-M423 HydrophobicContact CB-CG 4.15Å; V403-M423 HydrophobicContact CG1-CG 3.94Å; V403-M423 VanDerWaalsContact O-CE 3.23Å; V403-M423 WeakPolarHBondContact O-CE 3.35Å; V405-M423 HydrophobicContact CB-CE 4.05Å; V405-M423 HydrophobicContact CB-SD 3.93Å; V405-M423 HydrophobicContact CG2-CE 3.85Å; V405-M423 HydrophobicContact CG2-CG 4.19Å; V405-M423 HydrophobicContact CG2-SD 3.51Å; V405-M423 VanDerWaalsContact CG2-SD 3.51Å; S419-M423 VanDerWaalsContact O-CB 3.26Å; S419-M423 WeakPolarHBondContact O-CB 3.18Å; S419-M423 WeakPolarHBondContact O-CG 3.47Å; S419-M423 PolarHBondContact O-N 2.7Å; M423-P426 HydrophobicContact CB-CB 4.03Å; M423-P426 HydrophobicContact CB-CG 3.93Å; M423-P426 HydrophobicContact CE-CB 3.64Å; M423-P426 HydrophobicContact SD-CB 3.86Å; M423-P426 HydrophobicContact SD-CG 4.14Å | ||
| 424 | H | 71.8 | Confident | 78.1 | Confident | 91 Ų | 91 | 65.2 Ų | 65.2 | 42% | 0.421 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -109.6 | 103.1 | 177.1 | -173.6 | 69.1 | 0 | 0 | 0 | 110.7 | D41 | D41-H424 PolarHBondContact OD2-N 2.89Š|
| 425 | F | 60 | Low | 76.9 | Confident | 160 Ų | 160 | 61.2 Ų | 61.2 | 70% | 0.702 | 29% | 0.291 | S | S | * | . | S | Bend | trans | 49.3 | 58.6 | -179.4 | -158.2 | -99.1 | 0 | 0 | 0 | 112.4 | T427 | F425-T427 PolarHBondContact O-N 2.85Š|
| 426 | P | 81.3 | Confident | 75.7 | Confident | 29 Ų | 29 | 64.7 Ų | 64.7 | 19% | 0.188 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 134.7 | -175.3 | 28.9 | -34.9 | 0 | 0 | 0 | 111 | D41 L43 M423 | D41-P426 HydrophobicContact CB-CB 4.04Å; D41-P426 CarbonylContact O-C 3.58Å; D41-P426 VanDerWaalsContact O-CA 3.27Å; D41-P426 WeakPolarHBondContact O-CA 3.46Å; L43-P426 HydrophobicContact CB-CB 4.04Å; M423-P426 HydrophobicContact CB-CB 4.03Å; M423-P426 HydrophobicContact CB-CG 3.93Å; M423-P426 HydrophobicContact CE-CB 3.64Å; M423-P426 HydrophobicContact SD-CB 3.86Å; M423-P426 HydrophobicContact SD-CG 4.14Å |
| 427 | T | 79.3 | Confident | 75.2 | Confident | 59 Ų | 59 | 61.9 Ų | 61.9 | 36% | 0.362 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 128.9 | 166.8 | -55.5 | 0 | 0 | 0 | 0 | 108.7 | L35 D41 L43 F425 | L35-T427 HydrophobicContact CD1-CG2 3.63Å; L35-T427 HydrophobicContact CD2-CG2 4.22Å; D41-T427 PolarHBondContact O-N 3.14Å; L43-T427 PolarHBondContact N-O 2.73Å; F425-T427 PolarHBondContact O-N 2.85Å |
| 428 | W | 85.1 | Confident | 74.4 | Confident | 105 Ų | 105 | 58.4 Ų | 58.4 | 40% | 0.398 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 120.5 | 178.3 | -72.4 | 53.6 | 0 | 0 | 0 | 109 | L43 L410 K416 | L43-W428 HydrophobicContact CD2-CD2 3.94Å; L43-W428 HydrophobicContact CD2-CE3 4.36Å; L43-W428 HydrophobicContact CD2-CG 4.48Å; L43-W428 HydrophobicContact CD2-CH2 4.06Å; L43-W428 HydrophobicContact CD2-CZ2 3.61Å; L43-W428 HydrophobicContact CD2-CZ3 4.42Å; L43-W428 WeakPolarHBondContact O-CA 3.4Å; L410-W428 HydrophobicContact CB-CE3 4.24Å; L410-W428 HydrophobicContact CB-CZ3 3.85Å; L410-W428 HydrophobicContact CD1-CE3 3.99Å; L410-W428 HydrophobicContact CD1-CZ3 4.43Å; K416-W428 HydrophobicContact CD-CH2 4.4Å; K416-W428 HydrophobicContact CG-CH2 4.31Å; K416-W428 HydrophobicContact CG-CZ2 4.44Å |
| 429 | V | 85.6 | Confident | 73.4 | Confident | 8 Ų | 8 | 67.4 Ų | 67.4 | 5% | 0.048 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 88.3 | 169.8 | -175.5 | 0 | 0 | 0 | 0 | 106.8 | I28 E31 L35 V42 L43 M44 A45 L431 | I28-V429 HydrophobicContact CD1-CB 4.45Å; I28-V429 HydrophobicContact CD1-CG1 3.66Å; E31-V429 HydrophobicContact CB-CG1 3.53Å; E31-V429 HydrophobicContact CB-CG2 4.43Å; E31-V429 HydrophobicContact CG-CG1 4.32Å; L35-V429 HydrophobicContact CD1-CG2 3.51Å; V42-V429 HydrophobicContact CG1-CG2 4Å; L43-V429 PolarHBondContact O-N 3.4Å; M44-V429 CarbonylContact C-O 3.52Å; M44-V429 VanDerWaalsContact CA-O 3.29Å; M44-V429 WeakPolarHBondContact CA-O 3.43Å; M44-V429 HydrophobicContact CB-CB 4.21Å; A45-V429 PolarHBondContact N-O 3.09Å; V429-L431 HydrophobicContact CG1-CG 4.38Å |
| 430 | D | 82.8 | Confident | 72.8 | Confident | 46 Ų | 46 | 69.5 Ų | 69.5 | 25% | 0.246 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 97.6 | -178.6 | -163.8 | -16.3 | 0 | 0 | 0 | 110.4 | A45 L410 H411 K432 G433 | A45-D430 HydrophobicContact CB-CB 4.45Å; A45-D430 WeakPolarHBondContact CB-OD1 3.39Å; L410-D430 HydrophobicContact CD1-CB 4.28Å; H411-D430 IonicContact CD2-OD2 2.67Å; H411-D430 IonicContact CE1-OD2 2.92Å; H411-D430 IonicContact NE2-OD2 2.71Å; H411-D430 PolarHBondContact NE2-OD2 2.98Å; D430-K432 VanDerWaalsContact C-N 3.35Å; D430-K432 PolarHBondContact OD1-N 3.44Å; D430-G433 PolarHBondContact OD1-N 3.02Å |
| 431 | L | 76.4 | Confident | 72.8 | Confident | 85 Ų | 85 | 63.5 Ų | 63.5 | 45% | 0.445 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -91.8 | -2.6 | 176.3 | -59.5 | -174.4 | 0 | 0 | 0 | 112.8 | D27 I28 A45 V429 | D27-L431 VanDerWaalsContact C-CD1 3.48Å; D27-L431 HydrophobicContact CB-CD1 3.55Å; I28-L431 VanDerWaalsContact CA-CD1 3.43Å; I28-L431 HydrophobicContact CB-CD1 3.75Å; I28-L431 HydrophobicContact CD1-CD1 3.83Å; I28-L431 HydrophobicContact CD1-CG 4.07Å; I28-L431 HydrophobicContact CG1-CD1 4.4Å; A45-L431 PolarHBondContact O-N 2.99Å; A45-L431 VanDerWaalsContact O-N 3.14Å; V429-L431 HydrophobicContact CG1-CG 4.38Å |
| 432 | K | 64.7 | Low | 73 | Confident | 40 Ų | 40 | 59.1 Ų | 59.1 | 17% | 0.174 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -100.7 | -33 | -177.3 | -163.4 | -170.9 | -179.8 | -162.3 | 0 | 111.4 | A45 A408 D430 D435 | A45-K432 HydrophobicContact CB-CB 4.38Å; A408-K432 WeakPolarHBondContact O-CD 3.39Å; A408-K432 PolarHBondContact O-NZ 3.4Å; D430-K432 VanDerWaalsContact C-N 3.35Å; D430-K432 PolarHBondContact OD1-N 3.44Å; K432-D435 IonicContact NZ-OD1 2.95Å; K432-D435 PolarHBondContact NZ-OD1 3.04Å |
| 433 | G | 57.7 | Low | 73.2 | Confident | 32 Ų | 32 | 59.8 Ų | 59.8 | 33% | 0.33 | 31% | 0.31 | S | S | . | . | trans | 66.2 | -162 | -168.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | H411 D430 | H411-G433 PolarHBondContact CD2-O 3.36Å; D430-G433 PolarHBondContact OD1-N 3.02Å | ||
| 434 | E | 55 | Low | 73.7 | Confident | 119 Ų | 119 | 59 Ų | 59 | 56% | 0.556 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -56.9 | 143.9 | 170.8 | -69.6 | -171.4 | 164.8 | 0 | 0 | 110.3 | S436 K667 | E434-S436 PolarHBondContact O-N 3.48Å; E434-K667 IonicContact OE2-NZ 3.57Å; E434-K667 PolarHBondContact OE2-NZ 3.27Å |
| 435 | D | 58 | Low | 74.8 | Confident | 18 Ų | 18 | 54.7 Ų | 54.7 | 10% | 0.096 | 29% | 0.286 | C | S | . | . | trans | -51.7 | 108.9 | 178.1 | -78.6 | -37 | 0 | 0 | 0 | 110.4 | T409 K432 V600 H665 | T409-D435 WeakPolarHBondContact CG2-OD1 3.46Å; K432-D435 IonicContact NZ-OD1 2.95Å; K432-D435 PolarHBondContact NZ-OD1 3.04Å; D435-V600 HydrophobicContact CB-CG1 4.32Å; D435-V600 HydrophobicContact CB-CG2 4.21Å; D435-H665 VanDerWaalsContact CB-NE2 3.28Å; D435-H665 WeakPolarHBondContact CB-NE2 3.14Å; D435-H665 IonicContact OD2-CE1 3.72Å; D435-H665 IonicContact OD2-NE2 3.89Å; D435-H665 PolarHBondContact OD2-NE2 3.26Å | ||
| 436 | S | 61.2 | Low | 76.6 | Confident | 73 Ų | 73 | 47.1 Ų | 47.1 | 51% | 0.51 | 25% | 0.253 | S | S | . | . | trans | -119.8 | 152.9 | 177.6 | 52.7 | 0 | 0 | 0 | 0 | 109.5 | E434 | E434-S436 PolarHBondContact O-N 3.48Š| ||
| 437 | V | 69.5 | Low | 77.3 | Confident | 36 Ų | 36 | 47 Ų | 47 | 22% | 0.218 | 25% | 0.252 | C | S | . | . | trans | -81.5 | 125.2 | 173 | -176.1 | 0 | 0 | 0 | 0 | 107.4 | E439 V441 I603 L666 | V437-E439 PolarHBondContact O-N 3.43Å; V437-V441 HydrophobicContact CG1-CB 3.83Å; V437-V441 HydrophobicContact CG1-CG1 3.95Å; V437-I603 HydrophobicContact CB-CD1 4.38Å; V437-I603 HydrophobicContact CG1-CD1 3.82Å; V437-I603 HydrophobicContact CG2-CD1 3.76Å; V437-L666 HydrophobicContact CG2-CD1 3.76Å; V437-L666 HydrophobicContact CG2-CD2 3.74Å; V437-L666 HydrophobicContact CG2-CG 4.34Å | ||
| 438 | P | 67.9 | Low | 78.1 | Confident | 38 Ų | 38 | 44.2 Ų | 44.2 | 25% | 0.247 | 24% | 0.235 | C | C | . | . | trans | -58.4 | 141.7 | 176.5 | -20.2 | 29.9 | 0 | 0 | 0 | 110.5 | T440 V441 | P438-T440 PolarHBondContact O-N 3.18Å; P438-V441 HydrophobicContact CB-CG2 4.08Å; P438-V441 HydrophobicContact CG-CG2 4.12Å; P438-V441 WeakPolarHBondContact O-CB 3.32Å; P438-V441 PolarHBondContact O-N 3.06Å | ||
| 439 | E | 66.9 | Low | 78.6 | Confident | 191 Ų | 191 | 41.5 Ų | 41.5 | 89% | 0.893 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -23.3 | 179.6 | -63.6 | -177.3 | 171 | 0 | 0 | 113.2 | V437 V441 | V437-E439 PolarHBondContact O-N 3.43Å; E439-V441 PolarHBondContact O-N 3.37Å |
| 440 | T | 71.8 | Confident | 79 | Confident | 47 Ų | 47 | 41.1 Ų | 41.1 | 29% | 0.288 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -0.4 | 176.9 | 61.4 | 0 | 0 | 0 | 0 | 114 | P438 M612 G613 | P438-T440 PolarHBondContact O-N 3.18Å; T440-M612 WeakPolarHBondContact O-CA 3.48Å; T440-G613 PolarHBondContact O-N 3.43Å |
| 441 | V | 81.8 | Confident | 79.4 | Confident | 10 Ų | 10 | 43.6 Ų | 43.6 | 6% | 0.061 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 108.1 | -179.2 | 178.7 | 0 | 0 | 0 | 0 | 109.6 | V437 P438 E439 I603 V606 A615 | V437-V441 HydrophobicContact CG1-CB 3.83Å; V437-V441 HydrophobicContact CG1-CG1 3.95Å; P438-V441 HydrophobicContact CB-CG2 4.08Å; P438-V441 HydrophobicContact CG-CG2 4.12Å; P438-V441 WeakPolarHBondContact O-CB 3.32Å; P438-V441 PolarHBondContact O-N 3.06Å; E439-V441 PolarHBondContact O-N 3.37Å; V441-I603 HydrophobicContact CG1-CB 4.23Å; V441-I603 HydrophobicContact CG1-CD1 4.46Å; V441-I603 HydrophobicContact CG1-CG1 4.48Å; V441-V606 HydrophobicContact CB-CG2 4.29Å; V441-V606 HydrophobicContact CG1-CG2 3.6Å; V441-V606 HydrophobicContact CG2-CG2 3.91Å; V441-V606 WeakPolarHBondContact CG2-O 3.2Å; V441-A615 HydrophobicContact CG1-CB 4.48Å |
| 442 | H | 86.4 | Confident | 80.2 | Confident | 30 Ų | 30 | 43.3 Ų | 43.3 | 14% | 0.139 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 120.6 | 165.4 | -173 | -172 | 0 | 0 | 0 | 108.5 | M612 G613 L614 A615 V679 Y690 | H442-M612 HydrophobicContact CB-CE 4.33Å; H442-G613 PolarHBondContact N-O 2.96Å; H442-L614 HydrophobicContact CB-CD1 4.37Å; H442-L614 CarbonylContact O-C 3.33Å; H442-L614 VanDerWaalsContact O-CA 3.31Å; H442-L614 WeakPolarHBondContact O-CA 3.47Å; H442-A615 PolarHBondContact O-N 3.44Å; H442-V679 WeakPolarHBondContact CE1-CG1 3.49Å; H442-Y690 HydrophobicContact CB-CE1 4.08Å; H442-Y690 AromaticContact ND1-CZ 3.8Å; H442-Y690 PolarHBondContact ND1-OH 2.78Å |
| 443 | H | 91 | Very high | 81.5 | Confident | 23 Ų | 23 | 42.5 Ų | 42.5 | 11% | 0.106 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 139.2 | 177.4 | 66.5 | 169.6 | 0 | 0 | 0 | 111.8 | Y599 A615 | H443-Y599 AromaticContact ND1-CE1 3.84Å; H443-A615 CarbonylContact C-O 3.57Å; H443-A615 VanDerWaalsContact CA-O 3.29Å; H443-A615 WeakPolarHBondContact CA-O 3.31Å; H443-A615 HydrophobicContact CB-CB 4.01Å |
| 444 | V | 93.4 | Very high | 83.1 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 154.8 | -179 | -61.8 | 0 | 0 | 0 | 0 | 111.6 | L614 A615 I616 S617 T671 V679 | V444-L614 HydrophobicContact CG2-CD1 4.36Å; V444-A615 PolarHBondContact N-O 3.23Å; V444-I616 HydrophobicContact CG2-CB 4.34Å; V444-I616 HydrophobicContact CG2-CG1 3.91Å; V444-I616 HydrophobicContact CG2-CG2 4.39Å; V444-S617 PolarHBondContact O-N 3.29Å; V444-T671 CarbonylContact C-O 3.52Å; V444-T671 VanDerWaalsContact CA-O 3.26Å; V444-T671 WeakPolarHBondContact CA-O 3.27Å; V444-V679 HydrophobicContact CG1-CG1 3.88Å; V444-V679 HydrophobicContact CG1-CG2 4.38Å; V444-V679 HydrophobicContact CG2-CG2 3.86Å |
| 445 | V | 95.6 | Very high | 84.9 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 132.6 | 172.9 | 164.9 | 0 | 0 | 0 | 0 | 109.9 | S617 V619 L659 I670 T671 Q672 C673 | V445-S617 CarbonylContact C-O 3.49Å; V445-S617 WeakPolarHBondContact CA-O 3.45Å; V445-V619 HydrophobicContact CB-CG2 4.39Å; V445-V619 HydrophobicContact CG1-CB 3.92Å; V445-V619 HydrophobicContact CG1-CG2 3.52Å; V445-V619 HydrophobicContact CG2-CG2 4.1Å; V445-L659 HydrophobicContact CG1-CD2 4.11Å; V445-L659 HydrophobicContact CG2-CD1 3.76Å; V445-L659 HydrophobicContact CG2-CD2 4.28Å; V445-I670 HydrophobicContact CB-CG2 4.49Å; V445-I670 HydrophobicContact CG2-CB 4.11Å; V445-I670 HydrophobicContact CG2-CG2 3.82Å; V445-T671 PolarHBondContact N-O 2.94Å; V445-Q672 HydrophobicContact CB-CG 4.41Å; V445-Q672 HydrophobicContact CG1-CG 4.45Å; V445-Q672 CarbonylContact O-C 3.53Å; V445-Q672 VanDerWaalsContact O-CA 3.3Å; V445-Q672 WeakPolarHBondContact O-CA 3.28Å; V445-C673 PolarHBondContact O-N 2.91Å |
| 446 | V | 96.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 115 | 170 | -177.7 | 0 | 0 | 0 | 0 | 108.1 | V448 Y496 I616 S617 L618 V619 C673 I677 | V446-V448 PolarHBondContact O-N 3.37Å; V446-Y496 HydrophobicContact CG1-CD2 3.74Å; V446-Y496 HydrophobicContact CG1-CE2 3.85Å; V446-I616 HydrophobicContact CG2-CG2 3.82Å; V446-S617 PolarHBondContact N-O 3.32Å; V446-L618 HydrophobicContact CB-CD2 3.92Å; V446-L618 HydrophobicContact CG1-CD2 4.43Å; V446-L618 HydrophobicContact CG2-CD2 4.36Å; V446-V619 PolarHBondContact O-N 2.96Å; V446-C673 HydrophobicContact CG2-CB 4.2Å; V446-I677 HydrophobicContact CG1-CG1 4.18Å; V446-I677 HydrophobicContact CG2-CG1 4.25Å; V446-I677 HydrophobicContact CG2-CG2 4.17Å |
| 447 | P | 95.9 | Very high | 87.9 | Confident | 28 Ų | 28 | 43.7 Ų | 43.7 | 18% | 0.182 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 120.8 | 179.1 | 28.8 | -31 | 0 | 0 | 0 | 110.9 | N449 M621 C673 | P447-N449 PolarHBondContact O-N 3.45Å; P447-M621 HydrophobicContact CB-CE 3.69Å; P447-M621 HydrophobicContact CB-CG 3.83Å; P447-M621 HydrophobicContact CB-SD 3.78Å; P447-C673 WeakPolarHBondContact CD-O 3.21Å |
| 448 | V | 96.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 95 | 175.4 | -172.2 | 0 | 0 | 0 | 0 | 108.6 | V446 I489 L492 K493 Y496 L618 V619 M621 | V446-V448 PolarHBondContact O-N 3.37Å; V448-I489 HydrophobicContact CG1-CG1 4.5Å; V448-I489 HydrophobicContact CG1-CG2 4.12Å; V448-L492 HydrophobicContact CG1-CB 3.62Å; V448-L492 HydrophobicContact CG1-CD1 4.06Å; V448-K493 HydrophobicContact CG1-CG 4.31Å; V448-K493 HydrophobicContact CG2-CG 4.11Å; V448-Y496 HydrophobicContact CB-CE2 4.43Å; V448-Y496 HydrophobicContact CG1-CE2 4.47Å; V448-Y496 HydrophobicContact CG2-CD2 3.79Å; V448-Y496 HydrophobicContact CG2-CE2 3.97Å; V448-L618 HydrophobicContact CG2-CB 3.95Å; V448-V619 PolarHBondContact N-O 3.16Å; V448-M621 PolarHBondContact O-N 2.88Å |
| 449 | N | 95.2 | Very high | 89.7 | Confident | 48 Ų | 48 | 52.2 Ų | 52.2 | 26% | 0.257 | 25% | 0.249 | S | C | . | . | trans | -110 | 106 | -179.8 | -171.7 | -16.7 | 0 | 0 | 0 | 111.4 | P447 K451 A452 D453 M621 | P447-N449 PolarHBondContact O-N 3.45Å; N449-K451 PolarHBondContact O-N 2.87Å; N449-K451 WeakPolarHBondContact OD1-CB 3.45Å; N449-K451 PolarHBondContact OD1-N 3.14Å; N449-A452 HydrophobicContact CB-CB 3.97Å; N449-A452 PolarHBondContact O-N 3.22Å; N449-A452 PolarHBondContact OD1-N 3.12Å; N449-D453 PolarHBondContact O-N 3.49Å; N449-M621 HydrophobicContact CB-CB 3.95Å; N449-M621 HydrophobicContact CB-CG 3.92Å | ||
| 450 | P | 93.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -14.8 | -178.2 | 34.8 | -40.1 | 0 | 0 | 0 | 113.5 | W456 W485 A488 I489 L492 E622 | P450-W456 PolarHBondContact O-NE1 3Å; P450-W485 HydrophobicContact CB-CE3 3.86Å; P450-W485 HydrophobicContact CB-CZ3 4.34Å; P450-W485 HydrophobicContact CG-CB 4.28Å; P450-W485 HydrophobicContact CG-CD2 4.48Å; P450-W485 HydrophobicContact CG-CE3 3.77Å; P450-A488 HydrophobicContact CB-CB 3.61Å; P450-I489 HydrophobicContact CB-CG1 4.17Å; P450-I489 HydrophobicContact CG-CD1 4Å; P450-I489 HydrophobicContact CG-CG1 3.68Å; P450-L492 HydrophobicContact CB-CD1 4.01Å; P450-E622 HydrophobicContact CG-CG 4.24Å |
| 451 | K | 92.1 | Very high | 90.8 | Very high | 97 Ų | 97 | 52.9 Ų | 52.9 | 42% | 0.422 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -33.7 | 175 | -62 | 172.8 | 179.4 | 163.2 | 0 | 111.6 | N449 W485 E622 | N449-K451 PolarHBondContact O-N 2.87Å; N449-K451 WeakPolarHBondContact OD1-CB 3.45Å; N449-K451 PolarHBondContact OD1-N 3.14Å; K451-W485 HydrophobicContact CG-CD2 4.22Å; K451-W485 HydrophobicContact CG-CE3 4.04Å; K451-W485 HydrophobicContact CG-CH2 3.82Å; K451-W485 HydrophobicContact CG-CZ2 4Å; K451-W485 HydrophobicContact CG-CZ3 3.84Å; K451-E622 WeakPolarHBondContact CE-OE1 3.26Å; K451-E622 IonicContact NZ-OE1 3.72Å; K451-E622 PolarHBondContact NZ-OE1 3.38Å; K451-E622 IonicContact NZ-OE2 2.59Å; K451-E622 PolarHBondContact NZ-OE2 2.98Å |
| 452 | A | 92.4 | Very high | 90.9 | Very high | 79 Ų | 79 | 58.3 Ų | 58.3 | 65% | 0.653 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -45.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | N449 | N449-A452 HydrophobicContact CB-CB 3.97Å; N449-A452 PolarHBondContact O-N 3.22Å; N449-A452 PolarHBondContact OD1-N 3.12Å |
| 453 | D | 92.8 | Very high | 91.2 | Very high | 23 Ų | 23 | 58.2 Ų | 58.2 | 12% | 0.123 | 29% | 0.29 | C | S | . | . | trans | -96.9 | 103 | 177.4 | -173.6 | -8.6 | 0 | 0 | 0 | 110.4 | N449 Q455 W456 L492 Y496 | N449-D453 PolarHBondContact O-N 3.49Å; D453-Q455 WeakPolarHBondContact OD1-CB 3.43Å; D453-Q455 WeakPolarHBondContact OD1-CG 3.49Å; D453-Q455 PolarHBondContact OD1-N 3.09Å; D453-Q455 PolarHBondContact OD2-NE2 2.89Å; D453-W456 PolarHBondContact O-NE1 3.25Å; D453-L492 HydrophobicContact CB-CD1 4.37Å; D453-L492 HydrophobicContact CB-CD2 4.45Å; D453-Y496 WeakPolarHBondContact OD2-CE1 3.33Å; D453-Y496 PolarHBondContact OD2-OH 2.98Å | ||
| 454 | R | 91.3 | Very high | 91.3 | Very high | 152 Ų | 152 | 57.6 Ų | 57.6 | 57% | 0.574 | 29% | 0.287 | S | S | * | . | trans | -93 | 10.8 | -178.1 | -61.2 | -175.6 | 65.3 | -177.9 | -3.6 | 113.8 | W456 E457 | R454-W456 PolarHBondContact O-N 2.91Å; R454-E457 IonicContact CZ-OE1 3.78Å; R454-E457 VanDerWaalsContact CZ-OE1 3.24Å; R454-E457 IonicContact CZ-OE2 2.71Å; R454-E457 IonicContact NE-OE1 3.75Å; R454-E457 PolarHBondContact NE-OE1 3.42Å; R454-E457 IonicContact NE-OE2 2.88Å; R454-E457 VanDerWaalsContact NH2-CD 3.3Å; R454-E457 IonicContact NH2-OE1 3.47Å; R454-E457 PolarHBondContact NH2-OE1 3.11Å; R454-E457 IonicContact NH2-OE2 2.7Å; R454-E457 PolarHBondContact NH2-OE2 2.88Å; R454-E457 WeakPolarHBondContact O-CB 3.33Å; R454-E457 PolarHBondContact O-N 3.15Å | ||
| 455 | Q | 91.8 | Very high | 91.3 | Very high | 47 Ų | 47 | 64.7 Ų | 64.7 | 22% | 0.22 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -61.4 | -29.3 | -178.2 | 74.5 | -176.7 | -45.1 | 0 | 0 | 112.6 | D453 E457 R458 L459 L492 R499 | D453-Q455 WeakPolarHBondContact OD1-CB 3.43Å; D453-Q455 WeakPolarHBondContact OD1-CG 3.49Å; D453-Q455 PolarHBondContact OD1-N 3.09Å; D453-Q455 PolarHBondContact OD2-NE2 2.89Å; Q455-E457 PolarHBondContact O-N 2.9Å; Q455-E457 VanDerWaalsContact O-N 3.12Å; Q455-R458 PolarHBondContact O-N 3.46Å; Q455-L459 PolarHBondContact O-N 3.34Å; Q455-L492 HydrophobicContact CG-CD2 3.48Å; Q455-L492 VanDerWaalsContact CG-CD2 3.48Å; Q455-R499 VanDerWaalsContact NE2-NH2 3.16Å |
| 456 | W | 91.6 | Very high | 91.1 | Very high | 12 Ų | 12 | 65.7 Ų | 65.7 | 5% | 0.045 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -58.8 | -24.7 | 179.1 | 65.8 | -92.6 | 0 | 0 | 0 | 113.9 | P450 D453 R454 R458 L459 P477 M484 W485 A488 K491 L492 | P450-W456 PolarHBondContact O-NE1 3Å; D453-W456 PolarHBondContact O-NE1 3.25Å; R454-W456 PolarHBondContact O-N 2.91Å; W456-R458 PolarHBondContact O-N 2.83Å; W456-L459 HydrophobicContact CB-CD1 4.4Å; W456-P477 HydrophobicContact CH2-CB 4.33Å; W456-P477 HydrophobicContact CH2-CG 4.48Å; W456-P477 HydrophobicContact CZ3-CB 4.33Å; W456-P477 HydrophobicContact CZ3-CG 3.99Å; W456-M484 HydrophobicContact CH2-CE 4.15Å; W456-M484 HydrophobicContact CH2-CG 3.94Å; W456-M484 HydrophobicContact CH2-SD 3.96Å; W456-M484 HydrophobicContact CZ2-CE 4.41Å; W456-M484 HydrophobicContact CZ3-CG 4.43Å; W456-W485 HydrophobicContact CZ2-CE3 4.35Å; W456-W485 AromaticContact CZ2-CZ3 3.88Å; W456-W485 HydrophobicContact CZ2-CZ3 3.88Å; W456-A488 HydrophobicContact CD2-CB 3.38Å; W456-A488 VanDerWaalsContact CE2-CB 3.47Å; W456-A488 HydrophobicContact CE3-CB 3.69Å; W456-A488 HydrophobicContact CG-CB 3.77Å; W456-A488 HydrophobicContact CH2-CB 4.14Å; W456-A488 HydrophobicContact CZ2-CB 3.88Å; W456-A488 HydrophobicContact CZ3-CB 4.05Å; W456-K491 HydrophobicContact CB-CB 4.46Å; W456-L492 HydrophobicContact CB-CD2 4.02Å; W456-L492 HydrophobicContact CB-CG 4.05Å; W456-L492 HydrophobicContact CG-CG 4.44Å |
| 457 | E | 92 | Very high | 90.8 | Very high | 57 Ų | 57 | 66.1 Ų | 66.1 | 27% | 0.266 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -67.8 | -22.5 | 176.6 | -60.9 | -179 | -171 | 0 | 0 | 112.4 | R454 Q455 P477 | R454-E457 IonicContact CZ-OE1 3.78Å; R454-E457 VanDerWaalsContact CZ-OE1 3.24Å; R454-E457 IonicContact CZ-OE2 2.71Å; R454-E457 IonicContact NE-OE1 3.75Å; R454-E457 PolarHBondContact NE-OE1 3.42Å; R454-E457 IonicContact NE-OE2 2.88Å; R454-E457 VanDerWaalsContact NH2-CD 3.3Å; R454-E457 IonicContact NH2-OE1 3.47Å; R454-E457 PolarHBondContact NH2-OE1 3.11Å; R454-E457 IonicContact NH2-OE2 2.7Å; R454-E457 PolarHBondContact NH2-OE2 2.88Å; R454-E457 WeakPolarHBondContact O-CB 3.33Å; R454-E457 PolarHBondContact O-N 3.15Å; Q455-E457 PolarHBondContact O-N 2.9Å; Q455-E457 VanDerWaalsContact O-N 3.12Å; E457-P477 HydrophobicContact CB-CB 4.5Å; E457-P477 HydrophobicContact CG-CB 4.16Å; E457-P477 HydrophobicContact CG-CG 4.49Å |
| 458 | R | 89 | Confident | 90.5 | Very high | 224 Ų | 224 | 69 Ų | 69 | 85% | 0.845 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.7 | -2.4 | -170.8 | -58 | -179.1 | -173.6 | 177.1 | 0.7 | 113.9 | Q455 W456 G460 | Q455-R458 PolarHBondContact O-N 3.46Å; W456-R458 PolarHBondContact O-N 2.83Å; R458-G460 PolarHBondContact O-N 2.92Å |
| 459 | L | 85.5 | Confident | 90.4 | Very high | 29 Ų | 29 | 69 Ų | 69 | 15% | 0.152 | 33% | 0.333 | C | S | . | . | trans | -67.2 | -19.6 | -178.2 | -65.5 | 174.1 | 0 | 0 | 0 | 113.4 | Q455 W456 K461 N462 H463 K491 E495 | Q455-L459 PolarHBondContact O-N 3.34Å; W456-L459 HydrophobicContact CB-CD1 4.4Å; L459-K461 PolarHBondContact O-N 3.29Å; L459-N462 WeakPolarHBondContact O-CB 3.49Å; L459-N462 PolarHBondContact O-N 2.99Å; L459-H463 HydrophobicContact CB-CB 4.08Å; L459-H463 HydrophobicContact CD1-CB 3.91Å; L459-K491 HydrophobicContact CD1-CB 4.4Å; L459-E495 HydrophobicContact CD1-CG 3.61Å; L459-E495 HydrophobicContact CD2-CG 4.04Å | ||
| 460 | G | 82.2 | Confident | 90.3 | Very high | 58 Ų | 58 | 67 Ų | 67 | 60% | 0.598 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59 | -122.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | R458 H463 | R458-G460 PolarHBondContact O-N 2.92Å; G460-H463 PolarHBondContact O-CD2 3.21Å; G460-H463 PolarHBondContact O-NE2 3.47Å |
| 461 | K | 79.8 | Confident | 90 | Very high | 193 Ų | 193 | 70.8 Ų | 70.8 | 84% | 0.839 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -5 | 172.9 | -63.7 | -173.9 | -178 | -179.5 | 0 | 113.5 | L459 H463 | L459-K461 PolarHBondContact O-N 3.29Å; K461-H463 VanDerWaalsContact C-N 3.26Å; K461-H463 PolarHBondContact O-N 3.41Å; K461-H463 VanDerWaalsContact O-N 3.1Å |
| 462 | N | 84.6 | Confident | 89.9 | Confident | 125 Ų | 125 | 73.2 Ų | 73.2 | 67% | 0.668 | 37% | 0.365 | S | S | * | . | trans | -89.7 | 62 | -175.5 | -63.5 | -12.7 | 0 | 0 | 0 | 109.7 | L459 | L459-N462 WeakPolarHBondContact O-CB 3.49Å; L459-N462 PolarHBondContact O-N 2.99Å | ||
| 463 | H | 91.1 | Very high | 89.8 | Confident | 28 Ų | 28 | 71.4 Ų | 71.4 | 13% | 0.13 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -148.6 | 165.4 | 175.6 | 68.1 | 75.7 | 0 | 0 | 0 | 110.3 | L459 G460 K461 R465 K491 Y525 | L459-H463 HydrophobicContact CB-CB 4.08Å; L459-H463 HydrophobicContact CD1-CB 3.91Å; G460-H463 PolarHBondContact O-CD2 3.21Å; G460-H463 PolarHBondContact O-NE2 3.47Å; K461-H463 VanDerWaalsContact C-N 3.26Å; K461-H463 PolarHBondContact O-N 3.41Å; K461-H463 VanDerWaalsContact O-N 3.1Å; H463-R465 PolarHBondContact O-N 3.06Å; H463-K491 VanDerWaalsContact CE1-CE 3.4Å; H463-K491 WeakPolarHBondContact CE1-CE 3.47Å; H463-K491 WeakPolarHBondContact NE2-CE 3.49Å; H463-K491 PolarHBondContact NE2-NZ 3.2Å; H463-Y525 VanDerWaalsContact C-CE2 3.43Å |
| 464 | V | 93.6 | Very high | 89.5 | Confident | 10 Ų | 10 | 74.9 Ų | 74.9 | 6% | 0.061 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -57.2 | 134 | 174.8 | 65.7 | 0 | 0 | 0 | 0 | 111 | T466 N521 Y525 | V464-T466 PolarHBondContact O-N 3.43Å; V464-N521 HydrophobicContact CG2-CB 4.25Å; V464-Y525 HydrophobicContact CB-CD1 3.82Å; V464-Y525 HydrophobicContact CB-CD2 4.39Å; V464-Y525 HydrophobicContact CB-CE1 4.39Å; V464-Y525 HydrophobicContact CB-CG 3.84Å; V464-Y525 HydrophobicContact CG2-CD1 4.41Å; V464-Y525 HydrophobicContact CG2-CG 4.27Å |
| 465 | R | 93.6 | Very high | 89.4 | Confident | 149 Ų | 149 | 69.5 Ų | 69.5 | 56% | 0.562 | 35% | 0.346 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 135.6 | 172.4 | -175.1 | -179.8 | -179 | 178.4 | 0.4 | 109.1 | H463 E468 N521 | H463-R465 PolarHBondContact O-N 3.06Å; R465-E468 IonicContact CZ-OE1 3.22Å; R465-E468 IonicContact NE-OE1 3.97Å; R465-E468 IonicContact NH2-OE1 3.82Å; R465-E468 PolarHBondContact NH2-OE1 3.21Å; R465-N521 HydrophobicContact CB-CB 4.48Å; R465-N521 VanDerWaalsContact O-CB 3.26Å; R465-N521 WeakPolarHBondContact O-CB 3.23Å; R465-N521 VanDerWaalsContact O-CG 3.24Å; R465-N521 PolarHBondContact O-ND2 2.69Å |
| 466 | T | 91.6 | Very high | 89.2 | Confident | 21 Ų | 21 | 76.3 Ų | 76.3 | 13% | 0.129 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -88.4 | 169.5 | 177.7 | 57.1 | 0 | 0 | 0 | 0 | 111.4 | V464 E468 E487 K490 K491 N521 | V464-T466 PolarHBondContact O-N 3.43Å; T466-E468 PolarHBondContact O-N 3Å; T466-E468 VanDerWaalsContact O-N 3.1Å; T466-E487 VanDerWaalsContact CG2-OE1 3.32Å; T466-E487 WeakPolarHBondContact CG2-OE1 3.47Å; T466-E487 PolarHBondContact OG1-OE1 2.63Å; T466-E487 PolarHBondContact OG1-OE2 3.16Å; T466-K490 HydrophobicContact CG2-CB 3.7Å; T466-K490 HydrophobicContact CG2-CD 4.32Å; T466-K491 HydrophobicContact CG2-CG 4.25Å; T466-N521 PolarHBondContact O-ND2 3.28Å |
| 467 | D | 89.6 | Confident | 89 | Confident | 8 Ų | 8 | 79.5 Ų | 79.5 | 4% | 0.043 | 39% | 0.392 | C | S | . | . | trans | -75.4 | 12.7 | -175.4 | 61.6 | -11.6 | 0 | 0 | 0 | 114.5 | V469 K490 I517 W627 | D467-V469 PolarHBondContact O-N 2.9Å; D467-V469 VanDerWaalsContact OD1-CG1 3.24Å; D467-V469 WeakPolarHBondContact OD1-CG1 3.12Å; D467-K490 VanDerWaalsContact CG-NZ 3.3Å; D467-K490 WeakPolarHBondContact OD1-CE 3.2Å; D467-K490 IonicContact OD1-NZ 2.65Å; D467-K490 PolarHBondContact OD1-NZ 2.66Å; D467-K490 VanDerWaalsContact OD1-NZ 3.14Å; D467-K490 IonicContact OD2-NZ 3.3Å; D467-K490 PolarHBondContact OD2-NZ 2.66Å; D467-I517 HydrophobicContact CB-CG2 4.38Å; D467-W627 PolarHBondContact O-NE1 2.64Å | ||
| 468 | E | 91.4 | Very high | 88.6 | Confident | 88 Ų | 88 | 80 Ų | 80 | 41% | 0.411 | 41% | 0.413 | S | S | . | . | S | Bend | trans | 58 | 11.5 | 179.5 | -58 | -173.1 | 171.6 | 0 | 0 | 115.2 | R465 T466 H470 A471 | R465-E468 IonicContact CZ-OE1 3.22Å; R465-E468 IonicContact NE-OE1 3.97Å; R465-E468 IonicContact NH2-OE1 3.82Å; R465-E468 PolarHBondContact NH2-OE1 3.21Å; T466-E468 PolarHBondContact O-N 3Å; T466-E468 VanDerWaalsContact O-N 3.1Å; E468-H470 PolarHBondContact O-N 3.01Å; E468-H470 VanDerWaalsContact O-N 3.12Å; E468-A471 HydrophobicContact CB-CB 4.31Å; E468-A471 VanDerWaalsContact O-CB 3.24Å; E468-A471 WeakPolarHBondContact O-CB 3Å; E468-A471 PolarHBondContact O-N 2.89Å |
| 469 | V | 93.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -27.6 | 177.8 | 75.8 | 0 | 0 | 0 | 0 | 111.8 | D467 K625 W627 T641 T650 | D467-V469 PolarHBondContact O-N 2.9Å; D467-V469 VanDerWaalsContact OD1-CG1 3.24Å; D467-V469 WeakPolarHBondContact OD1-CG1 3.12Å; V469-K625 WeakPolarHBondContact CG1-O 3.3Å; V469-K625 HydrophobicContact CG2-CG 4.22Å; V469-W627 HydrophobicContact CB-CZ2 4.27Å; V469-W627 HydrophobicContact CG2-CD2 4.18Å; V469-W627 HydrophobicContact CG2-CZ2 4.26Å; V469-T641 WeakPolarHBondContact O-CB 3.47Å; V469-T641 WeakPolarHBondContact O-CG2 3.37Å; V469-T650 HydrophobicContact CG2-CG2 3.42Å; V469-T650 VanDerWaalsContact CG2-CG2 3.42Å |
| 470 | H | 93.6 | Very high | 88.7 | Confident | 7 Ų | 7 | 74.9 Ų | 74.9 | 3% | 0.032 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 12.1 | 178.9 | -63.6 | -60.8 | 0 | 0 | 0 | 114.4 | E468 K472 D473 T475 E483 S486 E487 K625 | E468-H470 PolarHBondContact O-N 3.01Å; E468-H470 VanDerWaalsContact O-N 3.12Å; H470-K472 PolarHBondContact O-N 3.49Å; H470-D473 HydrophobicContact CB-CB 4.2Å; H470-D473 IonicContact CE1-OD2 2.7Å; H470-D473 IonicContact CG-OD2 3.34Å; H470-D473 IonicContact ND1-OD2 3.41Å; H470-D473 PolarHBondContact ND1-OD2 3Å; H470-D473 PolarHBondContact O-N 2.87Å; H470-T475 HydrophobicContact CB-CG2 3.71Å; H470-E483 PolarHBondContact CE1-O 3.08Å; H470-S486 PolarHBondContact CE1-OG 3.12Å; H470-S486 VanDerWaalsContact NE2-CB 3.33Å; H470-S486 WeakPolarHBondContact NE2-CB 3.39Å; H470-S486 PolarHBondContact NE2-OG 2.98Å; H470-E487 IonicContact CD2-OE2 2.76Å; H470-E487 PolarHBondContact CD2-OE2 3.21Å; H470-E487 VanDerWaalsContact CD2-OE2 3.25Å; H470-E487 IonicContact CG-OE2 3.93Å; H470-K625 VanDerWaalsContact CE1-CB 3.45Å; H470-K625 WeakPolarHBondContact CE1-CB 3.48Å |
| 471 | A | 88.4 | Confident | 89.3 | Confident | 80 Ų | 80 | 74 Ų | 74 | 66% | 0.661 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -20.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114 | E468 | E468-A471 HydrophobicContact CB-CB 4.31Å; E468-A471 VanDerWaalsContact O-CB 3.24Å; E468-A471 WeakPolarHBondContact O-CB 3Å; E468-A471 PolarHBondContact O-N 2.89Å |
| 472 | K | 89.2 | Confident | 90 | Very high | 148 Ų | 148 | 68.4 Ų | 68.4 | 64% | 0.643 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.2 | -2.8 | 177.6 | -63.6 | 176.3 | -179.5 | 166.1 | 0 | 113.5 | H470 Y639 | H470-K472 PolarHBondContact O-N 3.49Å; K472-Y639 PolarHBondContact NZ-O 3.02Å |
| 473 | D | 90.3 | Very high | 90.5 | Very high | 41 Ų | 41 | 64.7 Ų | 64.7 | 22% | 0.219 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -95 | 154.5 | -175.5 | -61.8 | -28.1 | 0 | 0 | 0 | 110.4 | H470 T475 E483 K625 | H470-D473 HydrophobicContact CB-CB 4.2Å; H470-D473 IonicContact CE1-OD2 2.7Å; H470-D473 IonicContact CG-OD2 3.34Å; H470-D473 IonicContact ND1-OD2 3.41Å; H470-D473 PolarHBondContact ND1-OD2 3Å; H470-D473 PolarHBondContact O-N 2.87Å; D473-T475 HydrophobicContact CB-CG2 4.24Å; D473-T475 PolarHBondContact O-N 2.91Å; D473-E483 HydrophobicContact CB-CB 3.79Å; D473-E483 HydrophobicContact CB-CG 3.92Å; D473-E483 VanDerWaalsContact OD2-CG 3.32Å; D473-E483 WeakPolarHBondContact OD2-CG 3.21Å; D473-K625 IonicContact OD1-NZ 3.34Å; D473-K625 PolarHBondContact OD1-NZ 3.01Å; D473-K625 IonicContact OD2-NZ 3.42Å; D473-K625 PolarHBondContact OD2-NZ 2.73Å |
| 474 | N | 86.9 | Confident | 90.7 | Very high | 95 Ų | 95 | 63.5 Ų | 63.5 | 51% | 0.508 | 35% | 0.347 | S | S | . | . | trans | -84.2 | 95.6 | 172.7 | -178 | 19.3 | 0 | 0 | 0 | 110.5 | R476 T481 | N474-R476 WeakPolarHBondContact OD1-CG 3.24Å; N474-R476 PolarHBondContact OD1-N 3.42Å; N474-T481 PolarHBondContact O-OG1 3.16Å | ||
| 475 | T | 89.4 | Confident | 90.8 | Very high | 39 Ų | 39 | 64.8 Ų | 64.8 | 24% | 0.239 | 35% | 0.351 | C | S | . | . | trans | -103.9 | 18.7 | -178 | 57.7 | 0 | 0 | 0 | 0 | 113.8 | H470 D473 E487 | H470-T475 HydrophobicContact CB-CG2 3.71Å; D473-T475 HydrophobicContact CB-CG2 4.24Å; D473-T475 PolarHBondContact O-N 2.91Å; T475-E487 HydrophobicContact CG2-CB 3.72Å; T475-E487 HydrophobicContact CG2-CG 4.02Å | ||
| 476 | R | 87 | Confident | 90.9 | Very high | 191 Ų | 191 | 57.7 Ų | 57.7 | 72% | 0.721 | 32% | 0.324 | S | S | * | . | trans | -65 | 138.2 | 179.4 | -66.9 | 179.7 | -178.4 | -173.6 | 1.4 | 110.9 | N474 G478 A479 | N474-R476 WeakPolarHBondContact OD1-CG 3.24Å; N474-R476 PolarHBondContact OD1-N 3.42Å; R476-G478 PolarHBondContact O-N 3.36Å; R476-A479 VanDerWaalsContact O-CB 3.24Å; R476-A479 WeakPolarHBondContact O-CB 3.49Å; R476-A479 PolarHBondContact O-N 3.09Å | ||
| 477 | P | 86.6 | Confident | 91.1 | Very high | 78 Ų | 78 | 57.5 Ų | 57.5 | 51% | 0.506 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.1 | 129 | 173 | -28.2 | 35.3 | 0 | 0 | 0 | 111.8 | W456 E457 | W456-P477 HydrophobicContact CH2-CB 4.33Å; W456-P477 HydrophobicContact CH2-CG 4.48Å; W456-P477 HydrophobicContact CZ3-CB 4.33Å; W456-P477 HydrophobicContact CZ3-CG 3.99Å; E457-P477 HydrophobicContact CB-CB 4.5Å; E457-P477 HydrophobicContact CG-CB 4.16Å; E457-P477 HydrophobicContact CG-CG 4.49Å |
| 478 | G | 85.2 | Confident | 91.4 | Very high | 69 Ų | 69 | 57.2 Ų | 57.2 | 71% | 0.711 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.5 | -5.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | R476 N480 | R476-G478 PolarHBondContact O-N 3.36Å; G478-N480 PolarHBondContact O-N 3.34Å |
| 479 | A | 88 | Confident | 91.6 | Very high | 32 Ų | 32 | 53 Ų | 53 | 26% | 0.264 | 30% | 0.3 | S | S | . | . | trans | -64.7 | -26.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | R476 T481 M484 | R476-A479 VanDerWaalsContact O-CB 3.24Å; R476-A479 WeakPolarHBondContact O-CB 3.49Å; R476-A479 PolarHBondContact O-N 3.09Å; A479-T481 HydrophobicContact CB-CG2 4.38Å; A479-T481 PolarHBondContact O-N 3Å; A479-M484 HydrophobicContact CB-CB 4.42Å; A479-M484 HydrophobicContact CB-SD 3.9Å; A479-M484 PolarHBondContact N-SD 3.05Å; A479-M484 VanDerWaalsContact N-SD 3.37Å | ||
| 480 | N | 88.6 | Confident | 91.7 | Very high | 113 Ų | 113 | 54.1 Ų | 54.1 | 60% | 0.604 | 31% | 0.305 | S | S | * | . | trans | 53.1 | 34.5 | 178.9 | -163.9 | 25.8 | 0 | 0 | 0 | 114.1 | G478 M484 W485 | G478-N480 PolarHBondContact O-N 3.34Å; N480-M484 PolarHBondContact N-SD 2.95Å; N480-M484 VanDerWaalsContact N-SD 3.37Å; N480-W485 WeakPolarHBondContact OD1-CZ2 3.4Å; N480-W485 PolarHBondContact OD1-NE1 3.09Å | ||
| 481 | T | 93.6 | Very high | 91.8 | Very high | 40 Ų | 40 | 55.6 Ų | 55.6 | 25% | 0.245 | 31% | 0.312 | C | S | . | . | trans | -97.3 | 153.9 | 176.2 | 57.3 | 0 | 0 | 0 | 0 | 111.1 | N474 A479 E483 M484 W485 | N474-T481 PolarHBondContact O-OG1 3.16Å; A479-T481 HydrophobicContact CB-CG2 4.38Å; A479-T481 PolarHBondContact O-N 3Å; T481-E483 PolarHBondContact O-N 3.47Å; T481-M484 WeakPolarHBondContact O-CB 3.1Å; T481-M484 PolarHBondContact O-N 3.3Å; T481-M484 VanDerWaalsContact O-N 3.13Å; T481-M484 WeakPolarHBondContact OG1-CB 3.39Å; T481-M484 PolarHBondContact OG1-N 3.49Å; T481-M484 VanDerWaalsContact OG1-N 3.16Å; T481-W485 PolarHBondContact O-N 3.43Å; T481-W485 VanDerWaalsContact O-N 3.08Å | ||
| 482 | P | 94.4 | Very high | 92.2 | Very high | 75 Ų | 75 | 51.8 Ų | 51.8 | 49% | 0.487 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -52.1 | -38.8 | 171.6 | -27.7 | 36.7 | 0 | 0 | 0 | 113 | W485 S486 W652 | P482-W485 PolarHBondContact O-N 3.12Å; P482-S486 WeakPolarHBondContact O-CB 3.43Å; P482-S486 PolarHBondContact O-N 3.48Å; P482-W652 HydrophobicContact CB-CH2 3.43Å; P482-W652 VanDerWaalsContact CB-CH2 3.43Å; P482-W652 HydrophobicContact CB-CZ2 3.8Å; P482-W652 HydrophobicContact CB-CZ3 4.16Å |
| 483 | E | 95.3 | Very high | 92.6 | Very high | 47 Ų | 47 | 45 Ų | 45 | 22% | 0.22 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66.7 | -39.5 | 178.8 | -66.6 | 74.9 | -168 | 0 | 0 | 112.5 | H470 D473 T481 S486 E487 K625 W652 | H470-E483 PolarHBondContact CE1-O 3.08Å; D473-E483 HydrophobicContact CB-CB 3.79Å; D473-E483 HydrophobicContact CB-CG 3.92Å; D473-E483 VanDerWaalsContact OD2-CG 3.32Å; D473-E483 WeakPolarHBondContact OD2-CG 3.21Å; T481-E483 PolarHBondContact O-N 3.47Å; E483-S486 PolarHBondContact O-N 3.4Å; E483-E487 WeakPolarHBondContact O-CB 3.5Å; E483-E487 PolarHBondContact O-N 3.25Å; E483-K625 HydrophobicContact CG-CD 4.29Å; E483-W652 HydrophobicContact CG-CH2 4.32Å |
| 484 | M | 95 | Very high | 92.8 | Very high | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63 | -45.3 | 173.6 | -177.7 | -160.3 | 75.2 | 0 | 0 | 110.8 | W456 A479 N480 T481 S486 E487 A488 | W456-M484 HydrophobicContact CH2-CE 4.15Å; W456-M484 HydrophobicContact CH2-CG 3.94Å; W456-M484 HydrophobicContact CH2-SD 3.96Å; W456-M484 HydrophobicContact CZ2-CE 4.41Å; W456-M484 HydrophobicContact CZ3-CG 4.43Å; A479-M484 HydrophobicContact CB-CB 4.42Å; A479-M484 HydrophobicContact CB-SD 3.9Å; A479-M484 PolarHBondContact N-SD 3.05Å; A479-M484 VanDerWaalsContact N-SD 3.37Å; N480-M484 PolarHBondContact N-SD 2.95Å; N480-M484 VanDerWaalsContact N-SD 3.37Å; T481-M484 WeakPolarHBondContact O-CB 3.1Å; T481-M484 PolarHBondContact O-N 3.3Å; T481-M484 VanDerWaalsContact O-N 3.13Å; T481-M484 WeakPolarHBondContact OG1-CB 3.39Å; T481-M484 PolarHBondContact OG1-N 3.49Å; T481-M484 VanDerWaalsContact OG1-N 3.16Å; M484-S486 VanDerWaalsContact C-N 3.34Å; M484-E487 PolarHBondContact O-N 2.95Å; M484-A488 WeakPolarHBondContact O-CB 3.47Å; M484-A488 PolarHBondContact O-N 3.18Å |
| 485 | W | 95.6 | Very high | 93.2 | Very high | 38 Ų | 38 | 39.9 Ų | 39.9 | 14% | 0.144 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64 | -40.5 | 178.7 | -63.9 | 125.8 | 0 | 0 | 0 | 112 | P450 K451 W456 N480 T481 P482 A488 I489 E622 | P450-W485 HydrophobicContact CB-CE3 3.86Å; P450-W485 HydrophobicContact CB-CZ3 4.34Å; P450-W485 HydrophobicContact CG-CB 4.28Å; P450-W485 HydrophobicContact CG-CD2 4.48Å; P450-W485 HydrophobicContact CG-CE3 3.77Å; K451-W485 HydrophobicContact CG-CD2 4.22Å; K451-W485 HydrophobicContact CG-CE3 4.04Å; K451-W485 HydrophobicContact CG-CH2 3.82Å; K451-W485 HydrophobicContact CG-CZ2 4Å; K451-W485 HydrophobicContact CG-CZ3 3.84Å; W456-W485 HydrophobicContact CZ2-CE3 4.35Å; W456-W485 AromaticContact CZ2-CZ3 3.88Å; W456-W485 HydrophobicContact CZ2-CZ3 3.88Å; N480-W485 WeakPolarHBondContact OD1-CZ2 3.4Å; N480-W485 PolarHBondContact OD1-NE1 3.09Å; T481-W485 PolarHBondContact O-N 3.43Å; T481-W485 VanDerWaalsContact O-N 3.08Å; P482-W485 PolarHBondContact O-N 3.12Å; W485-A488 WeakPolarHBondContact O-CB 3.36Å; W485-A488 PolarHBondContact O-N 3.03Å; W485-I489 WeakPolarHBondContact O-CD1 3.32Å; W485-I489 WeakPolarHBondContact O-CG1 3.18Å; W485-I489 PolarHBondContact O-N 2.91Å; W485-E622 HydrophobicContact CB-CB 4.47Å |
| 486 | S | 96.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.6 | -48.8 | 173.3 | 172.5 | 0 | 0 | 0 | 0 | 112.5 | H470 P482 E483 M484 A488 I489 K490 E624 K625 | H470-S486 PolarHBondContact CE1-OG 3.12Å; H470-S486 VanDerWaalsContact NE2-CB 3.33Å; H470-S486 WeakPolarHBondContact NE2-CB 3.39Å; H470-S486 PolarHBondContact NE2-OG 2.98Å; P482-S486 WeakPolarHBondContact O-CB 3.43Å; P482-S486 PolarHBondContact O-N 3.48Å; E483-S486 PolarHBondContact O-N 3.4Å; M484-S486 VanDerWaalsContact C-N 3.34Å; S486-A488 VanDerWaalsContact C-N 3.31Å; S486-A488 PolarHBondContact O-N 3.18Å; S486-I489 PolarHBondContact O-N 3.25Å; S486-K490 PolarHBondContact O-N 3.25Å; S486-K490 VanDerWaalsContact O-N 3.16Å; S486-E624 WeakPolarHBondContact OG-CA 3.24Å; S486-K625 PolarHBondContact OG-N 2.97Å |
| 487 | E | 95.3 | Very high | 94.1 | Very high | 17 Ų | 17 | 29 Ų | 29 | 8% | 0.079 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.9 | -39.3 | 176.5 | 179.8 | 65.8 | -166.2 | 0 | 0 | 111.8 | T466 H470 T475 E483 M484 K490 K491 | T466-E487 VanDerWaalsContact CG2-OE1 3.32Å; T466-E487 WeakPolarHBondContact CG2-OE1 3.47Å; T466-E487 PolarHBondContact OG1-OE1 2.63Å; T466-E487 PolarHBondContact OG1-OE2 3.16Å; H470-E487 IonicContact CD2-OE2 2.76Å; H470-E487 PolarHBondContact CD2-OE2 3.21Å; H470-E487 VanDerWaalsContact CD2-OE2 3.25Å; H470-E487 IonicContact CG-OE2 3.93Å; T475-E487 HydrophobicContact CG2-CB 3.72Å; T475-E487 HydrophobicContact CG2-CG 4.02Å; E483-E487 WeakPolarHBondContact O-CB 3.5Å; E483-E487 PolarHBondContact O-N 3.25Å; M484-E487 PolarHBondContact O-N 2.95Å; E487-K490 PolarHBondContact O-N 3.14Å; E487-K491 WeakPolarHBondContact O-CG 3.45Å; E487-K491 PolarHBondContact O-N 2.81Å; E487-K491 VanDerWaalsContact OE1-CE 3.25Å; E487-K491 WeakPolarHBondContact OE1-CE 3.48Å |
| 488 | A | 95.5 | Very high | 94.5 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.008 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.8 | -42.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | P450 W456 M484 W485 S486 K491 L492 | P450-A488 HydrophobicContact CB-CB 3.61Å; W456-A488 HydrophobicContact CD2-CB 3.38Å; W456-A488 VanDerWaalsContact CE2-CB 3.47Å; W456-A488 HydrophobicContact CE3-CB 3.69Å; W456-A488 HydrophobicContact CG-CB 3.77Å; W456-A488 HydrophobicContact CH2-CB 4.14Å; W456-A488 HydrophobicContact CZ2-CB 3.88Å; W456-A488 HydrophobicContact CZ3-CB 4.05Å; M484-A488 WeakPolarHBondContact O-CB 3.47Å; M484-A488 PolarHBondContact O-N 3.18Å; W485-A488 WeakPolarHBondContact O-CB 3.36Å; W485-A488 PolarHBondContact O-N 3.03Å; S486-A488 VanDerWaalsContact C-N 3.31Å; S486-A488 PolarHBondContact O-N 3.18Å; A488-K491 PolarHBondContact O-N 2.96Å; A488-L492 WeakPolarHBondContact O-CG 3.36Å; A488-L492 PolarHBondContact O-N 3.16Å |
| 489 | I | 96.6 | Very high | 95 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.8 | -47 | 176.3 | -73 | 159 | 0 | 0 | 0 | 111.1 | V448 P450 W485 S486 K491 L492 K493 A620 E622 E624 | V448-I489 HydrophobicContact CG1-CG1 4.5Å; V448-I489 HydrophobicContact CG1-CG2 4.12Å; P450-I489 HydrophobicContact CB-CG1 4.17Å; P450-I489 HydrophobicContact CG-CD1 4Å; P450-I489 HydrophobicContact CG-CG1 3.68Å; W485-I489 WeakPolarHBondContact O-CD1 3.32Å; W485-I489 WeakPolarHBondContact O-CG1 3.18Å; W485-I489 PolarHBondContact O-N 2.91Å; S486-I489 PolarHBondContact O-N 3.25Å; I489-K491 VanDerWaalsContact C-N 3.26Å; I489-K491 PolarHBondContact O-N 2.88Å; I489-L492 PolarHBondContact O-N 3.37Å; I489-L492 VanDerWaalsContact O-N 3.14Å; I489-K493 HydrophobicContact CG2-CD 3.92Å; I489-K493 HydrophobicContact CG2-CG 4.23Å; I489-K493 WeakPolarHBondContact O-CG 3.22Å; I489-K493 PolarHBondContact O-N 2.84Å; I489-A620 HydrophobicContact CD1-CB 4.08Å; I489-A620 HydrophobicContact CG2-CB 3.76Å; I489-E622 HydrophobicContact CD1-CB 3.77Å; I489-E622 WeakPolarHBondContact CD1-O 3.4Å; I489-E624 HydrophobicContact CB-CG 4.13Å; I489-E624 HydrophobicContact CD1-CG 4.13Å; I489-E624 HydrophobicContact CG2-CG 3.74Å; I489-E624 WeakPolarHBondContact CG2-OE1 3.4Å |
| 490 | K | 95.6 | Very high | 95.3 | Very high | 24 Ų | 24 | 24 Ų | 24 | 10% | 0.104 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -56.7 | -41.3 | 179.1 | -67.5 | 173.2 | -172.9 | -85.3 | 0 | 111.7 | T466 D467 S486 E487 K625 | T466-K490 HydrophobicContact CG2-CB 3.7Å; T466-K490 HydrophobicContact CG2-CD 4.32Å; D467-K490 VanDerWaalsContact CG-NZ 3.3Å; D467-K490 WeakPolarHBondContact OD1-CE 3.2Å; D467-K490 IonicContact OD1-NZ 2.65Å; D467-K490 PolarHBondContact OD1-NZ 2.66Å; D467-K490 VanDerWaalsContact OD1-NZ 3.14Å; D467-K490 IonicContact OD2-NZ 3.3Å; D467-K490 PolarHBondContact OD2-NZ 2.66Å; S486-K490 PolarHBondContact O-N 3.25Å; S486-K490 VanDerWaalsContact O-N 3.16Å; E487-K490 PolarHBondContact O-N 3.14Å; K490-K625 VanDerWaalsContact CE-O 3.31Å; K490-K625 WeakPolarHBondContact CE-O 3.34Å; K490-K625 PolarHBondContact NZ-O 2.96Å; K490-K625 VanDerWaalsContact NZ-O 3.14Å |
| 491 | K | 95.6 | Very high | 95.6 | Very high | 38 Ų | 38 | 18.7 Ų | 18.7 | 17% | 0.165 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -66.2 | -47.2 | 175.6 | -64.4 | -178.6 | -173.4 | -159.8 | 0 | 112.1 | W456 L459 H463 T466 E487 A488 I489 K493 G494 E495 | W456-K491 HydrophobicContact CB-CB 4.46Å; L459-K491 HydrophobicContact CD1-CB 4.4Å; H463-K491 VanDerWaalsContact CE1-CE 3.4Å; H463-K491 WeakPolarHBondContact CE1-CE 3.47Å; H463-K491 WeakPolarHBondContact NE2-CE 3.49Å; H463-K491 PolarHBondContact NE2-NZ 3.2Å; T466-K491 HydrophobicContact CG2-CG 4.25Å; E487-K491 WeakPolarHBondContact O-CG 3.45Å; E487-K491 PolarHBondContact O-N 2.81Å; E487-K491 VanDerWaalsContact OE1-CE 3.25Å; E487-K491 WeakPolarHBondContact OE1-CE 3.48Å; A488-K491 PolarHBondContact O-N 2.96Å; I489-K491 VanDerWaalsContact C-N 3.26Å; I489-K491 PolarHBondContact O-N 2.88Å; K491-K493 VanDerWaalsContact C-N 3.34Å; K491-K493 PolarHBondContact O-N 2.91Å; K491-G494 PolarHBondContact O-N 3.24Å; K491-E495 PolarHBondContact O-N 3.23Å |
| 492 | L | 96.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.8 | -39.4 | 179.2 | -72.4 | 174.3 | 0 | 0 | 0 | 112.6 | V448 P450 D453 Q455 W456 A488 I489 G494 E495 Y496 | V448-L492 HydrophobicContact CG1-CB 3.62Å; V448-L492 HydrophobicContact CG1-CD1 4.06Å; P450-L492 HydrophobicContact CB-CD1 4.01Å; D453-L492 HydrophobicContact CB-CD1 4.37Å; D453-L492 HydrophobicContact CB-CD2 4.45Å; Q455-L492 HydrophobicContact CG-CD2 3.48Å; Q455-L492 VanDerWaalsContact CG-CD2 3.48Å; W456-L492 HydrophobicContact CB-CD2 4.02Å; W456-L492 HydrophobicContact CB-CG 4.05Å; W456-L492 HydrophobicContact CG-CG 4.44Å; A488-L492 WeakPolarHBondContact O-CG 3.36Å; A488-L492 PolarHBondContact O-N 3.16Å; I489-L492 PolarHBondContact O-N 3.37Å; I489-L492 VanDerWaalsContact O-N 3.14Å; L492-G494 VanDerWaalsContact C-N 3.26Å; L492-G494 PolarHBondContact O-N 3.24Å; L492-E495 PolarHBondContact O-N 3.13Å; L492-E495 VanDerWaalsContact O-N 3.08Å; L492-Y496 HydrophobicContact CD2-CE1 4.46Å; L492-Y496 WeakPolarHBondContact O-CB 3.24Å; L492-Y496 WeakPolarHBondContact O-CD1 3.48Å; L492-Y496 PolarHBondContact O-N 3.36Å |
| 493 | K | 96.7 | Very high | 95.6 | Very high | 5 Ų | 5 | 22.6 Ų | 22.6 | 2% | 0.022 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -58 | -38.3 | 176.5 | -80.6 | 178.8 | 163.3 | -175.4 | 0 | 112.2 | V448 I489 K491 T497 V590 L618 E624 E655 | V448-K493 HydrophobicContact CG1-CG 4.31Å; V448-K493 HydrophobicContact CG2-CG 4.11Å; I489-K493 HydrophobicContact CG2-CD 3.92Å; I489-K493 HydrophobicContact CG2-CG 4.23Å; I489-K493 WeakPolarHBondContact O-CG 3.22Å; I489-K493 PolarHBondContact O-N 2.84Å; K491-K493 VanDerWaalsContact C-N 3.34Å; K491-K493 PolarHBondContact O-N 2.91Å; K493-T497 WeakPolarHBondContact O-CB 3.27Å; K493-T497 PolarHBondContact O-N 3.48Å; K493-T497 PolarHBondContact O-OG1 2.94Å; K493-V590 HydrophobicContact CB-CG1 4.1Å; K493-V590 VanDerWaalsContact CD-O 3.23Å; K493-V590 WeakPolarHBondContact CD-O 3.16Å; K493-V590 WeakPolarHBondContact CE-O 3.45Å; K493-V590 PolarHBondContact NZ-O 3.47Å; K493-L618 HydrophobicContact CB-CD1 4.33Å; K493-L618 HydrophobicContact CG-CB 4.37Å; K493-L618 HydrophobicContact CG-CD1 4.38Å; K493-L618 WeakPolarHBondContact O-CD1 3.4Å; K493-E624 IonicContact NZ-OE1 2.76Å; K493-E624 IonicContact NZ-OE2 3.7Å; K493-E624 PolarHBondContact NZ-OE2 3.39Å; K493-E655 IonicContact NZ-OE1 3.79Å; K493-E655 PolarHBondContact NZ-OE1 2.93Å; K493-E655 IonicContact NZ-OE2 2.83Å; K493-E655 PolarHBondContact NZ-OE2 3.42Å |
| 494 | G | 95.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.01 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61.1 | -48.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | K491 L492 Y496 T497 V498 | K491-G494 PolarHBondContact O-N 3.24Å; L492-G494 VanDerWaalsContact C-N 3.26Å; L492-G494 PolarHBondContact O-N 3.24Å; G494-Y496 PolarHBondContact O-N 2.74Å; G494-T497 PolarHBondContact O-N 3.39Å; G494-V498 PolarHBondContact O-N 3.14Å; G494-V498 VanDerWaalsContact O-N 3.15Å |
| 495 | E | 95.5 | Very high | 95.1 | Very high | 28 Ų | 28 | 30 Ų | 30 | 13% | 0.131 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.3 | -41.4 | 177.8 | -65.5 | -50.4 | 128.9 | 0 | 0 | 112.8 | L459 K491 L492 T497 V498 R499 Y525 | L459-E495 HydrophobicContact CD1-CG 3.61Å; L459-E495 HydrophobicContact CD2-CG 4.04Å; K491-E495 PolarHBondContact O-N 3.23Å; L492-E495 PolarHBondContact O-N 3.13Å; L492-E495 VanDerWaalsContact O-N 3.08Å; E495-T497 VanDerWaalsContact C-N 3.32Å; E495-T497 PolarHBondContact O-N 3.16Å; E495-V498 PolarHBondContact O-N 2.7Å; E495-R499 WeakPolarHBondContact O-CB 3.45Å; E495-R499 PolarHBondContact O-N 3.15Å; E495-Y525 PolarHBondContact OE1-OH 3.22Å |
| 496 | Y | 96.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -68.4 | -35.4 | -179.7 | -78.6 | 22.8 | 0 | 0 | 0 | 110.9 | V446 V448 D453 L492 G494 R499 A500 L618 T675 I677 | V446-Y496 HydrophobicContact CG1-CD2 3.74Å; V446-Y496 HydrophobicContact CG1-CE2 3.85Å; V448-Y496 HydrophobicContact CB-CE2 4.43Å; V448-Y496 HydrophobicContact CG1-CE2 4.47Å; V448-Y496 HydrophobicContact CG2-CD2 3.79Å; V448-Y496 HydrophobicContact CG2-CE2 3.97Å; D453-Y496 WeakPolarHBondContact OD2-CE1 3.33Å; D453-Y496 PolarHBondContact OD2-OH 2.98Å; L492-Y496 HydrophobicContact CD2-CE1 4.46Å; L492-Y496 WeakPolarHBondContact O-CB 3.24Å; L492-Y496 WeakPolarHBondContact O-CD1 3.48Å; L492-Y496 PolarHBondContact O-N 3.36Å; G494-Y496 PolarHBondContact O-N 2.74Å; Y496-R499 PolarHBondContact O-N 2.97Å; Y496-A500 WeakPolarHBondContact O-CB 3.33Å; Y496-A500 PolarHBondContact O-N 3.07Å; Y496-L618 HydrophobicContact CD2-CD2 4.32Å; Y496-T675 HydrophobicContact CE2-CG2 4.27Å; Y496-T675 WeakPolarHBondContact OH-CB 3.35Å; Y496-T675 WeakPolarHBondContact OH-CG2 3.44Å; Y496-I677 HydrophobicContact CG-CD1 4.24Å; Y496-I677 WeakPolarHBondContact O-CD1 3.48Å |
| 497 | T | 97.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.8 | -46.6 | 172.8 | -56.3 | 0 | 0 | 0 | 0 | 110.9 | K493 G494 E495 R499 A500 I501 I511 M522 F526 I588 V590 | K493-T497 WeakPolarHBondContact O-CB 3.27Å; K493-T497 PolarHBondContact O-N 3.48Å; K493-T497 PolarHBondContact O-OG1 2.94Å; G494-T497 PolarHBondContact O-N 3.39Å; E495-T497 VanDerWaalsContact C-N 3.32Å; E495-T497 PolarHBondContact O-N 3.16Å; T497-R499 VanDerWaalsContact C-N 3.33Å; T497-R499 PolarHBondContact O-N 3.32Å; T497-A500 PolarHBondContact O-N 3.38Å; T497-I501 HydrophobicContact CG2-CD1 4.08Å; T497-I501 WeakPolarHBondContact O-CD1 3.47Å; T497-I501 VanDerWaalsContact O-CG1 3.31Å; T497-I501 WeakPolarHBondContact O-CG1 3.45Å; T497-I501 PolarHBondContact O-N 3.27Å; T497-I501 VanDerWaalsContact O-N 3.11Å; T497-I511 HydrophobicContact CG2-CD1 4.31Å; T497-I511 HydrophobicContact CG2-CG2 4.45Å; T497-M522 HydrophobicContact CG2-CE 4.29Å; T497-M522 HydrophobicContact CG2-SD 4.21Å; T497-F526 HydrophobicContact CG2-CE1 4.45Å; T497-F526 HydrophobicContact CG2-CZ 3.89Å; T497-I588 HydrophobicContact CG2-CD1 4.15Å; T497-I588 HydrophobicContact CG2-CG2 4.4Å; T497-V590 HydrophobicContact CG2-CG2 4.45Å |
| 498 | V | 95.7 | Very high | 94.2 | Very high | 6 Ų | 6 | 32.4 Ų | 32.4 | 4% | 0.036 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.4 | -41.7 | 175.7 | 166.4 | 0 | 0 | 0 | 0 | 111.7 | G494 E495 K502 Y525 F526 F540 | G494-V498 PolarHBondContact O-N 3.14Å; G494-V498 VanDerWaalsContact O-N 3.15Å; E495-V498 PolarHBondContact O-N 2.7Å; V498-K502 HydrophobicContact CG1-CD 4.06Å; V498-K502 WeakPolarHBondContact O-CG 3.28Å; V498-K502 PolarHBondContact O-N 3.36Å; V498-K502 VanDerWaalsContact O-N 3.11Å; V498-Y525 HydrophobicContact CG2-CD1 4.15Å; V498-Y525 HydrophobicContact CG2-CE1 3.58Å; V498-F526 HydrophobicContact CG2-CD1 4.43Å; V498-F526 HydrophobicContact CG2-CE1 3.98Å; V498-F540 HydrophobicContact CB-CZ 4.48Å; V498-F540 HydrophobicContact CG1-CE1 4.34Å; V498-F540 HydrophobicContact CG1-CZ 3.81Å; V498-F540 HydrophobicContact CG2-CE1 4.32Å; V498-F540 HydrophobicContact CG2-CZ 4.45Å |
| 499 | R | 95.3 | Very high | 94.2 | Very high | 68 Ų | 68 | 32.3 Ų | 32.3 | 26% | 0.257 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -63.3 | -48.2 | 177.9 | -174.1 | 177.5 | -62 | 167.1 | 1.2 | 111.3 | Q455 E495 Y496 T497 I501 K502 E503 T675 I677 | Q455-R499 VanDerWaalsContact NE2-NH2 3.16Å; E495-R499 WeakPolarHBondContact O-CB 3.45Å; E495-R499 PolarHBondContact O-N 3.15Å; Y496-R499 PolarHBondContact O-N 2.97Å; T497-R499 VanDerWaalsContact C-N 3.33Å; T497-R499 PolarHBondContact O-N 3.32Å; R499-I501 VanDerWaalsContact C-N 3.35Å; R499-I501 PolarHBondContact O-N 2.98Å; R499-K502 PolarHBondContact O-N 3.38Å; R499-E503 WeakPolarHBondContact O-CB 3.38Å; R499-E503 PolarHBondContact O-N 3.1Å; R499-T675 VanDerWaalsContact CD-O 3.29Å; R499-T675 WeakPolarHBondContact CD-O 3.35Å; R499-T675 PolarHBondContact NH1-O 3.21Å; R499-I677 HydrophobicContact CB-CD1 4Å; R499-I677 HydrophobicContact CG-CD1 4.09Å; R499-I677 HydrophobicContact CG-CG1 4.32Å |
| 500 | A | 95 | Very high | 94.1 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.5 | -45.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | Y496 T497 K502 H504 M506 I588 I616 I677 | Y496-A500 WeakPolarHBondContact O-CB 3.33Å; Y496-A500 PolarHBondContact O-N 3.07Å; T497-A500 PolarHBondContact O-N 3.38Å; A500-K502 VanDerWaalsContact C-N 3.34Å; A500-K502 PolarHBondContact O-N 2.95Å; A500-H504 PolarHBondContact O-CD2 3.37Å; A500-H504 PolarHBondContact O-N 2.86Å; A500-H504 VanDerWaalsContact O-N 3.12Å; A500-M506 HydrophobicContact CB-CE 4.28Å; A500-I588 HydrophobicContact CB-CD1 4.06Å; A500-I616 HydrophobicContact CB-CD1 3.99Å; A500-I677 HydrophobicContact CB-CD1 4.09Å; A500-I677 HydrophobicContact CB-CG2 4.04Å |
| 501 | I | 95.4 | Very high | 94.2 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.3 | -42.9 | 178 | -68.5 | 162 | 0 | 0 | 0 | 111.4 | T497 R499 K505 M506 I511 F526 F540 L568 I588 | T497-I501 HydrophobicContact CG2-CD1 4.08Å; T497-I501 WeakPolarHBondContact O-CD1 3.47Å; T497-I501 VanDerWaalsContact O-CG1 3.31Å; T497-I501 WeakPolarHBondContact O-CG1 3.45Å; T497-I501 PolarHBondContact O-N 3.27Å; T497-I501 VanDerWaalsContact O-N 3.11Å; R499-I501 VanDerWaalsContact C-N 3.35Å; R499-I501 PolarHBondContact O-N 2.98Å; I501-K505 WeakPolarHBondContact O-CA 3.31Å; I501-K505 PolarHBondContact O-N 3.08Å; I501-K505 VanDerWaalsContact O-N 3.15Å; I501-M506 HydrophobicContact CG1-SD 3.99Å; I501-M506 HydrophobicContact CG2-CB 4.5Å; I501-M506 PolarHBondContact O-N 3.01Å; I501-M506 VanDerWaalsContact O-N 3.13Å; I501-I511 HydrophobicContact CD1-CD1 4.12Å; I501-F526 HydrophobicContact CD1-CE1 3.95Å; I501-F526 HydrophobicContact CD1-CE2 4.25Å; I501-F526 HydrophobicContact CD1-CZ 3.5Å; I501-F526 VanDerWaalsContact CD1-CZ 3.5Å; I501-F540 HydrophobicContact CB-CE1 3.96Å; I501-F540 HydrophobicContact CD1-CD1 4.12Å; I501-F540 HydrophobicContact CD1-CE1 3.93Å; I501-F540 HydrophobicContact CG2-CD1 4.08Å; I501-F540 HydrophobicContact CG2-CE1 3.63Å; I501-F540 HydrophobicContact CG2-CZ 4.43Å; I501-L568 HydrophobicContact CD1-CD1 3.78Å; I501-L568 HydrophobicContact CD1-CD2 4.38Å; I501-L568 HydrophobicContact CG1-CD2 4.49Å; I501-I588 HydrophobicContact CD1-CD1 4.44Å; I501-I588 HydrophobicContact CG1-CD1 3.87Å |
| 502 | K | 94.1 | Very high | 94.3 | Very high | 106 Ų | 106 | 29.5 Ų | 29.5 | 46% | 0.461 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -68.6 | -49.6 | -180 | -78.4 | 173.1 | 177.6 | 174.6 | 0 | 111.9 | V498 R499 A500 K505 F540 | V498-K502 HydrophobicContact CG1-CD 4.06Å; V498-K502 WeakPolarHBondContact O-CG 3.28Å; V498-K502 PolarHBondContact O-N 3.36Å; V498-K502 VanDerWaalsContact O-N 3.11Å; R499-K502 PolarHBondContact O-N 3.38Å; A500-K502 VanDerWaalsContact C-N 3.34Å; A500-K502 PolarHBondContact O-N 2.95Å; K502-K505 PolarHBondContact O-N 3.2Å; K502-F540 HydrophobicContact CD-CZ 4.43Å; K502-F540 HydrophobicContact CG-CZ 4.15Å |
| 503 | E | 92.6 | Very high | 94.3 | Very high | 91 Ų | 91 | 29.6 Ų | 29.6 | 43% | 0.425 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -62.8 | -48 | -174.8 | -172.8 | 59.6 | -155.6 | 0 | 0 | 111.1 | R499 K505 K678 | R499-E503 WeakPolarHBondContact O-CB 3.38Å; R499-E503 PolarHBondContact O-N 3.1Å; E503-K505 VanDerWaalsContact C-N 3.3Å; E503-K505 PolarHBondContact O-N 3.15Å; E503-K678 HydrophobicContact CG-CG 4.4Å |
| 504 | H | 89.3 | Confident | 94 | Very high | 29 Ų | 29 | 31.1 Ų | 31.1 | 13% | 0.134 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 2.8 | -179.4 | -62 | -67.7 | 0 | 0 | 0 | 114 | A500 M506 Y586 I677 | A500-H504 PolarHBondContact O-CD2 3.37Å; A500-H504 PolarHBondContact O-N 2.86Å; A500-H504 VanDerWaalsContact O-N 3.12Å; H504-M506 HydrophobicContact CB-CE 4.06Å; H504-M506 HydrophobicContact CB-CG 4.04Å; H504-M506 PolarHBondContact O-N 3.08Å; H504-Y586 HydrophobicContact CB-CE1 4.05Å; H504-Y586 PolarHBondContact O-OH 3.34Å; H504-I677 PolarHBondContact NE2-O 2.92Å; H504-I677 VanDerWaalsContact NE2-O 3.1Å |
| 505 | K | 90.8 | Very high | 93.8 | Very high | 176 Ų | 176 | 32.6 Ų | 32.6 | 77% | 0.765 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.1 | 48.2 | -179.4 | -60.2 | 177.4 | -177.8 | 172.7 | 0 | 112.3 | I501 K502 E503 D507 | I501-K505 WeakPolarHBondContact O-CA 3.31Å; I501-K505 PolarHBondContact O-N 3.08Å; I501-K505 VanDerWaalsContact O-N 3.15Å; K502-K505 PolarHBondContact O-N 3.2Å; E503-K505 VanDerWaalsContact C-N 3.3Å; E503-K505 PolarHBondContact O-N 3.15Å; K505-D507 PolarHBondContact O-N 2.89Å; K505-D507 VanDerWaalsContact O-N 3.1Å |
| 506 | M | 91.4 | Very high | 93.6 | Very high | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.015 | 16% | 0.158 | C | C | . | . | trans | -59.7 | 117 | -170.1 | -61.7 | -175.7 | 175.6 | 0 | 0 | 111 | A500 I501 H504 A509 Y586 I588 I616 | A500-M506 HydrophobicContact CB-CE 4.28Å; I501-M506 HydrophobicContact CG1-SD 3.99Å; I501-M506 HydrophobicContact CG2-CB 4.5Å; I501-M506 PolarHBondContact O-N 3.01Å; I501-M506 VanDerWaalsContact O-N 3.13Å; H504-M506 HydrophobicContact CB-CE 4.06Å; H504-M506 HydrophobicContact CB-CG 4.04Å; H504-M506 PolarHBondContact O-N 3.08Å; M506-A509 HydrophobicContact CB-CB 4.35Å; M506-A509 HydrophobicContact SD-CB 3.94Å; M506-Y586 HydrophobicContact CB-CD2 3.74Å; M506-Y586 HydrophobicContact CB-CE2 4.19Å; M506-Y586 HydrophobicContact CB-CG 4.18Å; M506-Y586 HydrophobicContact CE-CD1 3.92Å; M506-Y586 HydrophobicContact CE-CG 4.08Å; M506-Y586 HydrophobicContact CG-CD1 3.99Å; M506-Y586 HydrophobicContact CG-CD2 3.65Å; M506-Y586 HydrophobicContact CG-CE1 4.4Å; M506-Y586 HydrophobicContact CG-CE2 4.11Å; M506-Y586 HydrophobicContact CG-CG 3.62Å; M506-Y586 HydrophobicContact SD-CD1 4.37Å; M506-Y586 HydrophobicContact SD-CD2 4.46Å; M506-Y586 HydrophobicContact SD-CG 3.95Å; M506-I588 HydrophobicContact CE-CD1 3.92Å; M506-I588 HydrophobicContact CE-CG1 4.03Å; M506-I588 HydrophobicContact SD-CD1 3.74Å; M506-I588 HydrophobicContact SD-CG1 4.2Å; M506-I616 HydrophobicContact CE-CD1 3.8Å | ||
| 507 | D | 86.6 | Confident | 93.3 | Very high | 81 Ų | 81 | 38.6 Ų | 38.6 | 43% | 0.433 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -89 | -27.7 | 179.2 | 65.6 | -29.1 | 0 | 0 | 0 | 111.9 | K505 K567 | K505-D507 PolarHBondContact O-N 2.89Å; K505-D507 VanDerWaalsContact O-N 3.1Å; D507-K567 WeakPolarHBondContact O-CB 3.38Å; D507-K567 VanDerWaalsContact O-CG 3.27Å; D507-K567 WeakPolarHBondContact O-CG 3.32Å |
| 508 | Q | 91.4 | Very high | 93.2 | Very high | 21 Ų | 21 | 40.3 Ų | 40.3 | 10% | 0.098 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -150.5 | 124 | 171.4 | -163 | 175.2 | 15.3 | 0 | 0 | 110.7 | F561 K567 V584 Y586 | Q508-F561 HydrophobicContact CG-CE2 3.62Å; Q508-F561 HydrophobicContact CG-CZ 3.73Å; Q508-F561 PolarHBondContact NE2-O 2.95Å; Q508-K567 CarbonylContact C-O 3.58Å; Q508-K567 VanDerWaalsContact CA-O 3.23Å; Q508-K567 WeakPolarHBondContact CA-O 3.28Å; Q508-V584 HydrophobicContact CB-CG1 4.31Å; Q508-V584 HydrophobicContact CG-CG1 4.03Å; Q508-V584 VanDerWaalsContact O-CG1 3.29Å; Q508-V584 WeakPolarHBondContact O-CG1 3.48Å; Q508-Y586 WeakPolarHBondContact O-CD2 3.35Å; Q508-Y586 PolarHBondContact O-N 3.33Å |
| 509 | A | 94.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 149.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | M506 K567 L568 L569 Y586 | M506-A509 HydrophobicContact CB-CB 4.35Å; M506-A509 HydrophobicContact SD-CB 3.94Å; A509-K567 PolarHBondContact N-O 2.85Å; A509-L568 HydrophobicContact CB-CD2 3.77Å; A509-L568 WeakPolarHBondContact O-CA 3.27Å; A509-L569 PolarHBondContact O-N 3.37Å; A509-Y586 VanDerWaalsContact CA-O 3.25Å; A509-Y586 WeakPolarHBondContact CA-O 3.36Å |
| 510 | I | 95.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 131.2 | 167 | -60.7 | 172.1 | 0 | 0 | 0 | 108.9 | F512 F561 L569 C571 V584 Y586 V587 I588 R605 | I510-F512 HydrophobicContact CB-CE2 4.38Å; I510-F512 HydrophobicContact CG2-CD2 4.03Å; I510-F512 HydrophobicContact CG2-CE1 4.48Å; I510-F512 HydrophobicContact CG2-CE2 3.53Å; I510-F512 HydrophobicContact CG2-CZ 3.79Å; I510-F561 HydrophobicContact CD1-CE1 4.33Å; I510-F561 HydrophobicContact CG1-CE1 3.92Å; I510-F561 HydrophobicContact CG1-CZ 3.84Å; I510-L569 CarbonylContact C-O 3.58Å; I510-L569 WeakPolarHBondContact CA-O 3.25Å; I510-L569 HydrophobicContact CG1-CB 4.38Å; I510-L569 HydrophobicContact CG1-CD2 4.44Å; I510-C571 VanDerWaalsContact CG2-SG 3.57Å; I510-V584 HydrophobicContact CD1-CB 4.46Å; I510-V584 HydrophobicContact CD1-CG2 3.82Å; I510-V584 HydrophobicContact CG1-CG1 4.43Å; I510-V584 HydrophobicContact CG1-CG2 4.17Å; I510-Y586 PolarHBondContact N-O 3.49Å; I510-V587 HydrophobicContact CB-CG2 4.06Å; I510-V587 CarbonylContact O-C 3.56Å; I510-V587 VanDerWaalsContact O-CA 3.3Å; I510-V587 WeakPolarHBondContact O-CA 3.37Å; I510-I588 PolarHBondContact O-N 3.48Å; I510-R605 HydrophobicContact CD1-CB 3.91Å; I510-R605 HydrophobicContact CD1-CG 4.32Å |
| 511 | I | 97.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 114.5 | -176.8 | -58.4 | 173.6 | 0 | 0 | 0 | 108.3 | T497 I501 F526 L568 L569 I570 C571 I588 V590 | T497-I511 HydrophobicContact CG2-CD1 4.31Å; T497-I511 HydrophobicContact CG2-CG2 4.45Å; I501-I511 HydrophobicContact CD1-CD1 4.12Å; I511-F526 HydrophobicContact CD1-CE2 3.57Å; I511-F526 HydrophobicContact CD1-CZ 3.79Å; I511-L568 HydrophobicContact CD1-CB 4.19Å; I511-L568 HydrophobicContact CD1-CD1 4.22Å; I511-L568 HydrophobicContact CD1-CD2 4.39Å; I511-L569 PolarHBondContact N-O 2.71Å; I511-I570 HydrophobicContact CB-CG1 4.28Å; I511-I570 HydrophobicContact CD1-CG1 4.34Å; I511-I570 CarbonylContact O-C 3.58Å; I511-I570 WeakPolarHBondContact O-CA 3.47Å; I511-C571 PolarHBondContact O-N 3.49Å; I511-I588 CarbonylContact C-O 3.53Å; I511-I588 WeakPolarHBondContact CA-O 3.47Å; I511-I588 HydrophobicContact CG1-CB 4.32Å; I511-I588 HydrophobicContact CG1-CD1 4.44Å; I511-V590 HydrophobicContact CG2-CG2 3.43Å; I511-V590 VanDerWaalsContact CG2-CG2 3.43Å |
| 512 | F | 97.1 | Very high | 93.3 | Very high | 3 Ų | 3 | 40.1 Ų | 40.1 | 1% | 0.013 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 123.6 | 179.5 | -73.1 | -82.9 | 0 | 0 | 0 | 111.5 | I510 C571 A576 V587 I588 V590 R602 R605 | I510-F512 HydrophobicContact CB-CE2 4.38Å; I510-F512 HydrophobicContact CG2-CD2 4.03Å; I510-F512 HydrophobicContact CG2-CE1 4.48Å; I510-F512 HydrophobicContact CG2-CE2 3.53Å; I510-F512 HydrophobicContact CG2-CZ 3.79Å; F512-C571 WeakPolarHBondContact CA-O 3.4Å; F512-A576 HydrophobicContact CD1-CB 4.48Å; F512-A576 HydrophobicContact CE1-CB 3.43Å; F512-A576 VanDerWaalsContact CE1-CB 3.43Å; F512-A576 HydrophobicContact CZ-CB 3.98Å; F512-V587 HydrophobicContact CD2-CG1 4Å; F512-V587 HydrophobicContact CE2-CG1 4.12Å; F512-V587 HydrophobicContact CE2-CG2 4.29Å; F512-I588 PolarHBondContact N-O 2.73Å; F512-V590 WeakPolarHBondContact O-CB 3.5Å; F512-V590 PolarHBondContact O-N 2.92Å; F512-R602 HydrophobicContact CD1-CG 3.76Å; F512-R602 HydrophobicContact CD2-CB 3.87Å; F512-R602 HydrophobicContact CD2-CG 3.8Å; F512-R602 HydrophobicContact CE1-CB 4.49Å; F512-R602 HydrophobicContact CE1-CG 3.74Å; F512-R602 HydrophobicContact CE2-CB 3.68Å; F512-R602 HydrophobicContact CE2-CG 3.79Å; F512-R602 HydrophobicContact CG-CB 4.37Å; F512-R602 HydrophobicContact CG-CG 3.79Å; F512-R602 HydrophobicContact CZ-CB 4.03Å; F512-R602 HydrophobicContact CZ-CG 3.77Å; F512-R605 HydrophobicContact CZ-CG 4.23Å |
| 513 | C | 95.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.007 | 17% | 0.171 | C | C | . | . | trans | -116.3 | 154.3 | 170.3 | -52.9 | 0 | 0 | 0 | 0 | 110.1 | D518 C571 | C513-D518 HydrophobicContact CB-CB 3.76Å; C513-C571 PolarHBondContact N-O 3.34Å | ||
| 514 | R | 91.8 | Very high | 93.6 | Very high | 38 Ų | 38 | 35.7 Ų | 35.7 | 14% | 0.143 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -71.5 | -43.3 | -178 | -174.8 | 172.6 | 179.4 | -84.7 | -3.9 | 112.7 | T591 D594 W627 | R514-T591 HydrophobicContact CB-CG2 3.87Å; R514-D594 IonicContact CZ-OD1 2.69Å; R514-D594 IonicContact NE-OD1 3.62Å; R514-D594 PolarHBondContact NE-OD1 3.4Å; R514-D594 IonicContact NE-OD2 3.05Å; R514-D594 IonicContact NH2-OD1 2.67Å; R514-D594 PolarHBondContact NH2-OD1 2.82Å; R514-W627 PolarHBondContact NH1-O 2.81Å |
| 515 | T | 91.1 | Very high | 93.9 | Very high | 31 Ų | 31 | 34.6 Ų | 34.6 | 19% | 0.19 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -119.1 | 162.1 | -176.6 | 79.1 | 0 | 0 | 0 | 0 | 112.9 | I517 D518 C519 | T515-I517 VanDerWaalsContact C-N 3.27Å; T515-I517 PolarHBondContact O-N 3.34Å; T515-D518 WeakPolarHBondContact CB-OD2 3.39Å; T515-D518 WeakPolarHBondContact CG2-OD2 3.11Å; T515-D518 PolarHBondContact N-OD2 3.47Å; T515-D518 VanDerWaalsContact N-OD2 3.16Å; T515-D518 PolarHBondContact O-N 3.41Å; T515-D518 PolarHBondContact OG1-N 2.67Å; T515-D518 PolarHBondContact OG1-OD2 2.82Å; T515-C519 PolarHBondContact O-N 2.7Å; T515-C519 VanDerWaalsContact O-N 3.14Å; T515-C519 PolarHBondContact O-SG 2.85Å |
| 516 | K | 90.6 | Very high | 94.2 | Very high | 76 Ų | 76 | 26.2 Ų | 26.2 | 33% | 0.33 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -60.2 | -39 | 175.5 | -55.7 | -178.5 | -175.9 | 170.7 | 0 | 111.9 | D518 C519 D520 H546 D548 T572 | K516-D518 VanDerWaalsContact C-N 3.34Å; K516-C519 WeakPolarHBondContact O-CB 3.28Å; K516-C519 PolarHBondContact O-N 2.69Å; K516-D520 PolarHBondContact O-N 3.47Å; K516-D520 VanDerWaalsContact O-N 3.08Å; K516-H546 HydrophobicContact CB-CB 4.43Å; K516-H546 WeakPolarHBondContact CB-ND1 3.24Å; K516-H546 HydrophobicContact CG-CB 4.05Å; K516-D548 HydrophobicContact CD-CB 3.99Å; K516-D548 WeakPolarHBondContact CD-OD2 3.46Å; K516-D548 VanDerWaalsContact NZ-CG 3.33Å; K516-D548 IonicContact NZ-OD1 3.34Å; K516-D548 PolarHBondContact NZ-OD1 3.02Å; K516-D548 IonicContact NZ-OD2 3.55Å; K516-T572 HydrophobicContact CG-CG2 4.38Å |
| 517 | I | 91.6 | Very high | 94.4 | Very high | 78 Ų | 78 | 29.1 Ų | 29.1 | 40% | 0.4 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -66.3 | -40.1 | 178.8 | -64 | 171.4 | 0 | 0 | 0 | 110 | D467 T515 C519 D520 N521 | D467-I517 HydrophobicContact CB-CG2 4.38Å; T515-I517 VanDerWaalsContact C-N 3.27Å; T515-I517 PolarHBondContact O-N 3.34Å; I517-C519 VanDerWaalsContact C-N 3.32Å; I517-C519 PolarHBondContact O-N 2.7Å; I517-D520 PolarHBondContact O-N 2.87Å; I517-N521 VanDerWaalsContact O-CB 3.32Å; I517-N521 WeakPolarHBondContact O-CB 3.07Å; I517-N521 VanDerWaalsContact O-CG 3.26Å; I517-N521 PolarHBondContact O-N 2.9Å; I517-N521 PolarHBondContact O-ND2 3.18Å |
| 518 | D | 94.2 | Very high | 94.7 | Very high | 37 Ų | 37 | 30.9 Ų | 30.9 | 20% | 0.198 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.8 | -39.4 | 176.2 | -58.8 | -42.2 | 0 | 0 | 0 | 111.6 | C513 T515 K516 N521 M522 | C513-D518 HydrophobicContact CB-CB 3.76Å; T515-D518 WeakPolarHBondContact CB-OD2 3.39Å; T515-D518 WeakPolarHBondContact CG2-OD2 3.11Å; T515-D518 PolarHBondContact N-OD2 3.47Å; T515-D518 VanDerWaalsContact N-OD2 3.16Å; T515-D518 PolarHBondContact O-N 3.41Å; T515-D518 PolarHBondContact OG1-N 2.67Å; T515-D518 PolarHBondContact OG1-OD2 2.82Å; K516-D518 VanDerWaalsContact C-N 3.34Å; D518-N521 PolarHBondContact O-N 3.43Å; D518-M522 WeakPolarHBondContact O-CB 3.31Å; D518-M522 PolarHBondContact O-N 3.24Å |
| 519 | C | 95.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.7 | -51.5 | 173.2 | -65 | 0 | 0 | 0 | 0 | 111.3 | T515 K516 I517 N521 M522 E523 C544 I570 C571 | T515-C519 PolarHBondContact O-N 2.7Å; T515-C519 VanDerWaalsContact O-N 3.14Å; T515-C519 PolarHBondContact O-SG 2.85Å; K516-C519 WeakPolarHBondContact O-CB 3.28Å; K516-C519 PolarHBondContact O-N 2.69Å; I517-C519 VanDerWaalsContact C-N 3.32Å; I517-C519 PolarHBondContact O-N 2.7Å; C519-N521 VanDerWaalsContact C-N 3.34Å; C519-N521 PolarHBondContact O-N 3.19Å; C519-M522 PolarHBondContact O-N 2.73Å; C519-E523 PolarHBondContact O-N 2.92Å; C519-C544 PolarHBondContact O-SG 3.31Å; C519-I570 HydrophobicContact CB-CG2 3.8Å; C519-C571 VanDerWaalsContact SG-C 3.54Å |
| 520 | D | 95.3 | Very high | 94.6 | Very high | 51 Ų | 51 | 34.9 Ų | 34.9 | 27% | 0.273 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -61.4 | -43.2 | -179.5 | -68.8 | -27.2 | 0 | 0 | 0 | 111.5 | K516 I517 M522 E523 Q524 H546 R549 | K516-D520 PolarHBondContact O-N 3.47Å; K516-D520 VanDerWaalsContact O-N 3.08Å; I517-D520 PolarHBondContact O-N 2.87Å; D520-M522 VanDerWaalsContact C-N 3.33Å; D520-M522 PolarHBondContact O-N 3.04Å; D520-E523 PolarHBondContact O-N 3.17Å; D520-Q524 VanDerWaalsContact O-CG 3.32Å; D520-Q524 WeakPolarHBondContact O-CG 3.38Å; D520-Q524 PolarHBondContact O-N 3.21Å; D520-H546 IonicContact OD1-CE1 3.3Å; D520-H546 IonicContact OD1-NE2 2.73Å; D520-H546 PolarHBondContact OD1-NE2 2.95Å; D520-H546 IonicContact OD2-CE1 3.61Å; D520-H546 IonicContact OD2-NE2 2.7Å; D520-R549 IonicContact OD1-CZ 3.55Å; D520-R549 IonicContact OD1-NE 2.88Å; D520-R549 PolarHBondContact OD1-NE 2.73Å; D520-R549 IonicContact OD1-NH2 3.61Å; D520-R549 PolarHBondContact OD1-NH2 3.33Å |
| 521 | N | 95.9 | Very high | 94.6 | Very high | 15 Ų | 15 | 35.1 Ų | 35.1 | 8% | 0.08 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.4 | -39.2 | 177 | -78 | -21.4 | 0 | 0 | 0 | 112.1 | V464 R465 T466 I517 D518 C519 Q524 Y525 | V464-N521 HydrophobicContact CG2-CB 4.25Å; R465-N521 HydrophobicContact CB-CB 4.48Å; R465-N521 VanDerWaalsContact O-CB 3.26Å; R465-N521 WeakPolarHBondContact O-CB 3.23Å; R465-N521 VanDerWaalsContact O-CG 3.24Å; R465-N521 PolarHBondContact O-ND2 2.69Å; T466-N521 PolarHBondContact O-ND2 3.28Å; I517-N521 VanDerWaalsContact O-CB 3.32Å; I517-N521 WeakPolarHBondContact O-CB 3.07Å; I517-N521 VanDerWaalsContact O-CG 3.26Å; I517-N521 PolarHBondContact O-N 2.9Å; I517-N521 PolarHBondContact O-ND2 3.18Å; D518-N521 PolarHBondContact O-N 3.43Å; C519-N521 VanDerWaalsContact C-N 3.34Å; C519-N521 PolarHBondContact O-N 3.19Å; N521-Q524 PolarHBondContact O-N 3.04Å; N521-Y525 WeakPolarHBondContact O-CB 3.29Å; N521-Y525 PolarHBondContact O-N 3.05Å |
| 522 | M | 97.1 | Very high | 94.4 | Very high | 5 Ų | 5 | 35.1 Ų | 35.1 | 3% | 0.025 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.6 | -42.2 | 176.3 | -170.5 | 63.7 | 71.1 | 0 | 0 | 111.8 | T497 D518 C519 D520 Y525 F526 I570 V590 | T497-M522 HydrophobicContact CG2-CE 4.29Å; T497-M522 HydrophobicContact CG2-SD 4.21Å; D518-M522 WeakPolarHBondContact O-CB 3.31Å; D518-M522 PolarHBondContact O-N 3.24Å; C519-M522 PolarHBondContact O-N 2.73Å; D520-M522 VanDerWaalsContact C-N 3.33Å; D520-M522 PolarHBondContact O-N 3.04Å; M522-Y525 PolarHBondContact O-N 3.1Å; M522-F526 HydrophobicContact CG-CD2 4.41Å; M522-F526 HydrophobicContact CG-CE1 4.41Å; M522-F526 HydrophobicContact CG-CE2 3.88Å; M522-F526 HydrophobicContact CG-CZ 3.88Å; M522-F526 WeakPolarHBondContact O-CG 3.33Å; M522-F526 PolarHBondContact O-N 3.31Å; M522-F526 HydrophobicContact SD-CE1 3.87Å; M522-F526 HydrophobicContact SD-CE2 4.37Å; M522-F526 HydrophobicContact SD-CZ 3.77Å; M522-I570 HydrophobicContact CB-CD1 4.17Å; M522-I570 HydrophobicContact CB-CG2 4.36Å; M522-I570 HydrophobicContact CG-CD1 3.99Å; M522-V590 HydrophobicContact CE-CG1 4.06Å; M522-V590 HydrophobicContact CE-CG2 4.18Å |
| 523 | E | 96.4 | Very high | 94.1 | Very high | 12 Ų | 12 | 36.6 Ų | 36.6 | 6% | 0.056 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.3 | -46.1 | 174.3 | -178.4 | -179 | -110.6 | 0 | 0 | 111.2 | C519 D520 Y525 F526 I527 C544 R549 I570 | C519-E523 PolarHBondContact O-N 2.92Å; D520-E523 PolarHBondContact O-N 3.17Å; E523-Y525 VanDerWaalsContact C-N 3.29Å; E523-Y525 PolarHBondContact O-N 3.44Å; E523-F526 PolarHBondContact O-N 2.87Å; E523-I527 HydrophobicContact CG-CD1 4.19Å; E523-I527 WeakPolarHBondContact O-CG1 3.21Å; E523-I527 PolarHBondContact O-N 3.42Å; E523-C544 VanDerWaalsContact CB-SG 3.54Å; E523-C544 PolarHBondContact OE1-N 3.3Å; E523-C544 VanDerWaalsContact OE1-N 3.13Å; E523-R549 IonicContact OE1-NH2 3.95Å; E523-R549 IonicContact OE2-CZ 3.7Å; E523-R549 IonicContact OE2-NH1 2.85Å; E523-R549 IonicContact OE2-NH2 2.67Å; E523-R549 PolarHBondContact OE2-NH2 2.96Å; E523-I570 HydrophobicContact CB-CD1 3.98Å |
| 524 | Q | 96.3 | Very high | 93.8 | Very high | 93 Ų | 93 | 42.6 Ų | 42.6 | 44% | 0.435 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.6 | -38 | 175.4 | -69.1 | -55.2 | -52.1 | 0 | 0 | 112.2 | D520 N521 I527 Q528 | D520-Q524 VanDerWaalsContact O-CG 3.32Å; D520-Q524 WeakPolarHBondContact O-CG 3.38Å; D520-Q524 PolarHBondContact O-N 3.21Å; N521-Q524 PolarHBondContact O-N 3.04Å; Q524-I527 WeakPolarHBondContact O-CB 3.15Å; Q524-I527 PolarHBondContact O-N 2.86Å; Q524-Q528 WeakPolarHBondContact O-CG 3.29Å; Q524-Q528 PolarHBondContact O-N 3.11Å |
| 525 | Y | 96.4 | Very high | 93.8 | Very high | 5 Ų | 5 | 42.7 Ų | 42.7 | 2% | 0.02 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.7 | -43 | 176.4 | -171.8 | -132.4 | 0 | 0 | 0 | 111.6 | H463 V464 E495 V498 N521 M522 E523 I527 Q528 Q529 | H463-Y525 VanDerWaalsContact C-CE2 3.43Å; V464-Y525 HydrophobicContact CB-CD1 3.82Å; V464-Y525 HydrophobicContact CB-CD2 4.39Å; V464-Y525 HydrophobicContact CB-CE1 4.39Å; V464-Y525 HydrophobicContact CB-CG 3.84Å; V464-Y525 HydrophobicContact CG2-CD1 4.41Å; V464-Y525 HydrophobicContact CG2-CG 4.27Å; E495-Y525 PolarHBondContact OE1-OH 3.22Å; V498-Y525 HydrophobicContact CG2-CD1 4.15Å; V498-Y525 HydrophobicContact CG2-CE1 3.58Å; N521-Y525 WeakPolarHBondContact O-CB 3.29Å; N521-Y525 PolarHBondContact O-N 3.05Å; M522-Y525 PolarHBondContact O-N 3.1Å; E523-Y525 VanDerWaalsContact C-N 3.29Å; E523-Y525 PolarHBondContact O-N 3.44Å; Y525-I527 VanDerWaalsContact C-N 3.32Å; Y525-I527 PolarHBondContact O-N 3.24Å; Y525-Q528 WeakPolarHBondContact O-CB 3.31Å; Y525-Q528 PolarHBondContact O-N 3.45Å; Y525-Q528 VanDerWaalsContact O-N 3.12Å; Y525-Q529 WeakPolarHBondContact O-CG 3.2Å; Y525-Q529 PolarHBondContact O-N 2.92Å; Y525-Q529 PolarHBondContact OH-NE2 3.43Å |
| 526 | F | 96.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.2 | -34.3 | 173.8 | -71.8 | -14.2 | 0 | 0 | 0 | 113.5 | T497 V498 I501 I511 M522 E523 Q529 G530 G531 F540 C542 L568 I570 | T497-F526 HydrophobicContact CG2-CE1 4.45Å; T497-F526 HydrophobicContact CG2-CZ 3.89Å; V498-F526 HydrophobicContact CG2-CD1 4.43Å; V498-F526 HydrophobicContact CG2-CE1 3.98Å; I501-F526 HydrophobicContact CD1-CE1 3.95Å; I501-F526 HydrophobicContact CD1-CE2 4.25Å; I501-F526 HydrophobicContact CD1-CZ 3.5Å; I501-F526 VanDerWaalsContact CD1-CZ 3.5Å; I511-F526 HydrophobicContact CD1-CE2 3.57Å; I511-F526 HydrophobicContact CD1-CZ 3.79Å; M522-F526 HydrophobicContact CG-CD2 4.41Å; M522-F526 HydrophobicContact CG-CE1 4.41Å; M522-F526 HydrophobicContact CG-CE2 3.88Å; M522-F526 HydrophobicContact CG-CZ 3.88Å; M522-F526 WeakPolarHBondContact O-CG 3.33Å; M522-F526 PolarHBondContact O-N 3.31Å; M522-F526 HydrophobicContact SD-CE1 3.87Å; M522-F526 HydrophobicContact SD-CE2 4.37Å; M522-F526 HydrophobicContact SD-CZ 3.77Å; E523-F526 PolarHBondContact O-N 2.87Å; F526-Q529 CarbonylContact O-C 3.57Å; F526-Q529 PolarHBondContact O-N 3.21Å; F526-G530 PolarHBondContact O-N 2.96Å; F526-G531 VanDerWaalsContact O-CA 3.25Å; F526-G531 WeakPolarHBondContact O-CA 3.41Å; F526-G531 PolarHBondContact O-N 3.41Å; F526-F540 HydrophobicContact CB-CB 4Å; F526-F540 HydrophobicContact CD1-CB 4.41Å; F526-F540 AromaticContact CD1-CD1 3.81Å; F526-F540 HydrophobicContact CD1-CD1 3.81Å; F526-F540 HydrophobicContact CD1-CE1 4.44Å; F526-F540 HydrophobicContact CD1-CG 4.28Å; F526-F540 AromaticContact CE1-CD1 3.98Å; F526-F540 HydrophobicContact CE1-CD1 3.98Å; F526-F540 HydrophobicContact CE1-CE1 4.31Å; F526-F540 HydrophobicContact CG-CB 4.17Å; F526-F540 HydrophobicContact CG-CD1 4.27Å; F526-C542 HydrophobicContact CD2-CB 3.89Å; F526-L568 HydrophobicContact CD2-CD1 3.88Å; F526-L568 HydrophobicContact CE2-CD1 3.59Å; F526-L568 HydrophobicContact CZ-CD1 4.16Å; F526-I570 HydrophobicContact CD2-CD1 3.86Å; F526-I570 HydrophobicContact CE2-CD1 3.91Å; F526-I570 HydrophobicContact CE2-CG1 4.34Å |
| 527 | I | 95.5 | Very high | 93.2 | Very high | 64 Ų | 64 | 47.3 Ų | 47.3 | 33% | 0.328 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.2 | -44.3 | 170.5 | -70.4 | 163.1 | 0 | 0 | 0 | 110.6 | E523 Q524 Y525 Q529 G530 | E523-I527 HydrophobicContact CG-CD1 4.19Å; E523-I527 WeakPolarHBondContact O-CG1 3.21Å; E523-I527 PolarHBondContact O-N 3.42Å; Q524-I527 WeakPolarHBondContact O-CB 3.15Å; Q524-I527 PolarHBondContact O-N 2.86Å; Y525-I527 VanDerWaalsContact C-N 3.32Å; Y525-I527 PolarHBondContact O-N 3.24Å; I527-Q529 PolarHBondContact O-N 2.86Å; I527-G530 WeakPolarHBondContact O-CA 3.49Å; I527-G530 PolarHBondContact O-N 3.04Å |
| 528 | Q | 93.3 | Very high | 93.4 | Very high | 118 Ų | 118 | 46.8 Ų | 46.8 | 55% | 0.551 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -62.2 | -30 | 175.8 | -67.7 | 168.5 | 22 | 0 | 0 | 112.5 | Q524 Y525 G530 | Q524-Q528 WeakPolarHBondContact O-CG 3.29Å; Q524-Q528 PolarHBondContact O-N 3.11Å; Y525-Q528 WeakPolarHBondContact O-CB 3.31Å; Y525-Q528 PolarHBondContact O-N 3.45Å; Y525-Q528 VanDerWaalsContact O-N 3.12Å; Q528-G530 PolarHBondContact O-N 2.94Å |
| 529 | Q | 91.8 | Very high | 93.3 | Very high | 63 Ų | 63 | 48.4 Ų | 48.4 | 29% | 0.294 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | 6.9 | 172.7 | -59.2 | -62.1 | -46.7 | 0 | 0 | 113.4 | Y525 F526 I527 H538 F540 | Y525-Q529 WeakPolarHBondContact O-CG 3.2Å; Y525-Q529 PolarHBondContact O-N 2.92Å; Y525-Q529 PolarHBondContact OH-NE2 3.43Å; F526-Q529 CarbonylContact O-C 3.57Å; F526-Q529 PolarHBondContact O-N 3.21Å; I527-Q529 PolarHBondContact O-N 2.86Å; Q529-H538 PolarHBondContact O-CE1 3.12Å; Q529-H538 VanDerWaalsContact O-CE1 3.27Å; Q529-F540 HydrophobicContact CB-CD2 3.62Å; Q529-F540 HydrophobicContact CB-CE2 3.99Å; Q529-F540 HydrophobicContact CB-CG 4.29Å |
| 530 | G | 92.1 | Very high | 93.3 | Very high | 42 Ų | 42 | 48.6 Ų | 48.6 | 43% | 0.433 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.3 | 6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115 | F526 I527 Q528 S535 H538 | F526-G530 PolarHBondContact O-N 2.96Å; I527-G530 WeakPolarHBondContact O-CA 3.49Å; I527-G530 PolarHBondContact O-N 3.04Å; Q528-G530 PolarHBondContact O-N 2.94Å; G530-S535 PolarHBondContact O-OG 2.95Å; G530-H538 VanDerWaalsContact C-CE1 3.46Å; G530-H538 PolarHBondContact O-ND1 3.33Å |
| 531 | G | 94.6 | Very high | 93.4 | Very high | 5 Ų | 5 | 46.2 Ų | 46.2 | 5% | 0.052 | 25% | 0.254 | C | S | . | . | trans | -90.5 | -142.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | F526 S535 H538 F540 | F526-G531 VanDerWaalsContact O-CA 3.25Å; F526-G531 WeakPolarHBondContact O-CA 3.41Å; F526-G531 PolarHBondContact O-N 3.41Å; G531-S535 WeakPolarHBondContact O-CB 3.45Å; G531-S535 PolarHBondContact O-OG 2.95Å; G531-H538 VanDerWaalsContact CA-ND1 3.33Å; G531-H538 WeakPolarHBondContact CA-ND1 3.11Å; G531-H538 PolarHBondContact N-ND1 3.35Å; G531-F540 WeakPolarHBondContact CA-O 3.15Å | ||
| 532 | G | 92.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | B | Isolated β-bridge | trans | 104.1 | -176.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | D534 F540 S541 C542 | G532-D534 PolarHBondContact O-N 2.9Å; G532-F540 PolarHBondContact N-O 3Å; G532-S541 VanDerWaalsContact O-CA 3.27Å; G532-S541 WeakPolarHBondContact O-CA 3.36Å; G532-C542 CarbonylContact C-O 3.55Å; G532-C542 PolarHBondContact O-N 3.39Å; G532-C542 VanDerWaalsContact O-N 3.09Å |
| 533 | P | 90.7 | Very high | 93.4 | Very high | 33 Ų | 33 | 45.2 Ų | 45.2 | 21% | 0.214 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -42.8 | -173.1 | 21.2 | -31.9 | 0 | 0 | 0 | 112.3 | C542 V543 R560 V566 | P533-C542 WeakPolarHBondContact CA-O 3.46Å; P533-C542 VanDerWaalsContact N-O 3.12Å; P533-V543 HydrophobicContact CB-CG1 4.09Å; P533-R560 PolarHBondContact O-NH2 3.3Å; P533-V566 VanDerWaalsContact O-CG1 3.32Å; P533-V566 WeakPolarHBondContact O-CG1 3.45Å |
| 534 | D | 91.1 | Very high | 93.3 | Very high | 127 Ų | 127 | 44.7 Ų | 44.7 | 68% | 0.679 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | 5.7 | -170.3 | -55.2 | -40.8 | 0 | 0 | 0 | 113.9 | G532 K536 R560 | G532-D534 PolarHBondContact O-N 2.9Å; D534-K536 VanDerWaalsContact C-N 3.29Å; D534-K536 PolarHBondContact O-N 2.67Å; D534-K536 VanDerWaalsContact O-N 3.14Å; D534-R560 IonicContact OD1-CZ 3.2Å; D534-R560 IonicContact OD1-NH1 2.7Å; D534-R560 PolarHBondContact OD1-NH1 3.42Å; D534-R560 IonicContact OD1-NH2 3.32Å; D534-R560 PolarHBondContact OD1-NH2 3.12Å |
| 535 | S | 90.5 | Very high | 93 | Very high | 40 Ų | 40 | 40.7 Ų | 40.7 | 28% | 0.28 | 23% | 0.228 | S | C | . | . | trans | -91.3 | 53.3 | -177.8 | -61.2 | 0 | 0 | 0 | 0 | 111.9 | G530 G531 G537 H538 S541 | G530-S535 PolarHBondContact O-OG 2.95Å; G531-S535 WeakPolarHBondContact O-CB 3.45Å; G531-S535 PolarHBondContact O-OG 2.95Å; S535-G537 PolarHBondContact O-N 3.49Å; S535-H538 WeakPolarHBondContact O-CB 3.41Å; S535-H538 PolarHBondContact O-N 3.1Å; S535-S541 VanDerWaalsContact O-CB 3.31Å; S535-S541 WeakPolarHBondContact O-CB 3.43Å | ||
| 536 | K | 87.1 | Confident | 92.6 | Very high | 151 Ų | 151 | 40.5 Ų | 40.5 | 66% | 0.657 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | 129.7 | -175.2 | -177.1 | 165 | 178.8 | 164.1 | 0 | 111.7 | D534 H538 D565 | D534-K536 VanDerWaalsContact C-N 3.29Å; D534-K536 PolarHBondContact O-N 2.67Å; D534-K536 VanDerWaalsContact O-N 3.14Å; K536-H538 VanDerWaalsContact C-N 3.29Å; K536-H538 PolarHBondContact O-N 3.24Å; K536-D565 WeakPolarHBondContact CE-OD1 3.32Å; K536-D565 IonicContact NZ-OD1 2.6Å; K536-D565 PolarHBondContact NZ-OD1 3.29Å |
| 537 | G | 82.9 | Confident | 91.8 | Very high | 54 Ų | 54 | 42.8 Ų | 42.8 | 56% | 0.557 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.6 | -18.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | S535 K567 | S535-G537 PolarHBondContact O-N 3.49Å; G537-K567 WeakPolarHBondContact O-CE 3.32Å; G537-K567 PolarHBondContact O-NZ 3.35Å |
| 538 | H | 94.2 | Very high | 91.1 | Very high | 66 Ų | 66 | 45.1 Ų | 45.1 | 31% | 0.306 | 26% | 0.264 | S | S | . | . | trans | -65.5 | 146 | 174.7 | -164.7 | -103.1 | 0 | 0 | 0 | 111.2 | Q529 G530 G531 S535 K536 F540 S541 | Q529-H538 PolarHBondContact O-CE1 3.12Å; Q529-H538 VanDerWaalsContact O-CE1 3.27Å; G530-H538 VanDerWaalsContact C-CE1 3.46Å; G530-H538 PolarHBondContact O-ND1 3.33Å; G531-H538 VanDerWaalsContact CA-ND1 3.33Å; G531-H538 WeakPolarHBondContact CA-ND1 3.11Å; G531-H538 PolarHBondContact N-ND1 3.35Å; S535-H538 WeakPolarHBondContact O-CB 3.41Å; S535-H538 PolarHBondContact O-N 3.1Å; K536-H538 VanDerWaalsContact C-N 3.29Å; K536-H538 PolarHBondContact O-N 3.24Å; H538-F540 AromaticContact CE1-CD2 3.68Å; H538-F540 PolarHBondContact ND1-N 3.43Å; H538-F540 PolarHBondContact O-N 2.91Å; H538-S541 WeakPolarHBondContact O-CB 3.33Å; H538-S541 PolarHBondContact O-N 3.1Å; H538-S541 VanDerWaalsContact O-N 3.09Å; H538-S541 PolarHBondContact O-OG 3.08Å | ||
| 539 | Q | 92.9 | Very high | 90.7 | Very high | 72 Ų | 72 | 41.6 Ų | 41.6 | 34% | 0.336 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -26 | -179.3 | 63.6 | 174 | 73.4 | 0 | 0 | 113.6 | ||
| 540 | F | 96.4 | Very high | 90.3 | Very high | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.018 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 20.3 | 176.5 | -60.4 | -59.4 | 0 | 0 | 0 | 112.8 | V498 I501 K502 F526 Q529 G531 G532 H538 C542 L568 | V498-F540 HydrophobicContact CB-CZ 4.48Å; V498-F540 HydrophobicContact CG1-CE1 4.34Å; V498-F540 HydrophobicContact CG1-CZ 3.81Å; V498-F540 HydrophobicContact CG2-CE1 4.32Å; V498-F540 HydrophobicContact CG2-CZ 4.45Å; I501-F540 HydrophobicContact CB-CE1 3.96Å; I501-F540 HydrophobicContact CD1-CD1 4.12Å; I501-F540 HydrophobicContact CD1-CE1 3.93Å; I501-F540 HydrophobicContact CG2-CD1 4.08Å; I501-F540 HydrophobicContact CG2-CE1 3.63Å; I501-F540 HydrophobicContact CG2-CZ 4.43Å; K502-F540 HydrophobicContact CD-CZ 4.43Å; K502-F540 HydrophobicContact CG-CZ 4.15Å; F526-F540 HydrophobicContact CB-CB 4Å; F526-F540 HydrophobicContact CD1-CB 4.41Å; F526-F540 AromaticContact CD1-CD1 3.81Å; F526-F540 HydrophobicContact CD1-CD1 3.81Å; F526-F540 HydrophobicContact CD1-CE1 4.44Å; F526-F540 HydrophobicContact CD1-CG 4.28Å; F526-F540 AromaticContact CE1-CD1 3.98Å; F526-F540 HydrophobicContact CE1-CD1 3.98Å; F526-F540 HydrophobicContact CE1-CE1 4.31Å; F526-F540 HydrophobicContact CG-CB 4.17Å; F526-F540 HydrophobicContact CG-CD1 4.27Å; Q529-F540 HydrophobicContact CB-CD2 3.62Å; Q529-F540 HydrophobicContact CB-CE2 3.99Å; Q529-F540 HydrophobicContact CB-CG 4.29Å; G531-F540 WeakPolarHBondContact CA-O 3.15Å; G532-F540 PolarHBondContact N-O 3Å; H538-F540 AromaticContact CE1-CD2 3.68Å; H538-F540 PolarHBondContact ND1-N 3.43Å; H538-F540 PolarHBondContact O-N 2.91Å; F540-C542 PolarHBondContact O-N 3.47Å; F540-C542 PolarHBondContact O-SG 3.41Å; F540-C542 VanDerWaalsContact O-SG 3.42Å; F540-L568 HydrophobicContact CD1-CD1 4.27Å |
| 541 | S | 97.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | B | Isolated β-bridge | trans | -64.4 | 120.2 | 172.5 | 56.2 | 0 | 0 | 0 | 0 | 109.4 | G532 S535 H538 K567 L568 | G532-S541 VanDerWaalsContact O-CA 3.27Å; G532-S541 WeakPolarHBondContact O-CA 3.36Å; S535-S541 VanDerWaalsContact O-CB 3.31Å; S535-S541 WeakPolarHBondContact O-CB 3.43Å; H538-S541 WeakPolarHBondContact O-CB 3.33Å; H538-S541 PolarHBondContact O-N 3.1Å; H538-S541 VanDerWaalsContact O-N 3.09Å; H538-S541 PolarHBondContact O-OG 3.08Å; S541-K567 PolarHBondContact O-N 3.3Å; S541-K567 WeakPolarHBondContact OG-CG 3.45Å; S541-K567 PolarHBondContact OG-N 2.86Å; S541-L568 PolarHBondContact O-N 3.3Å |
| 542 | C | 96.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 157.5 | -166.4 | 62.4 | 0 | 0 | 0 | 0 | 113 | F526 G532 P533 F540 L568 I570 | F526-C542 HydrophobicContact CD2-CB 3.89Å; G532-C542 CarbonylContact C-O 3.55Å; G532-C542 PolarHBondContact O-N 3.39Å; G532-C542 VanDerWaalsContact O-N 3.09Å; P533-C542 WeakPolarHBondContact CA-O 3.46Å; P533-C542 VanDerWaalsContact N-O 3.12Å; F540-C542 PolarHBondContact O-N 3.47Å; F540-C542 PolarHBondContact O-SG 3.41Å; F540-C542 VanDerWaalsContact O-SG 3.42Å; C542-L568 WeakPolarHBondContact CA-O 3.46Å; C542-L568 HydrophobicContact CB-CB 3.79Å; C542-L568 HydrophobicContact CB-CD1 4.4Å; C542-I570 HydrophobicContact CB-CD1 4.11Å |
| 543 | V | 95.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 150.2 | 170.8 | -69 | 0 | 0 | 0 | 0 | 110.5 | P533 N557 V566 L568 L569 I570 | P533-V543 HydrophobicContact CB-CG1 4.09Å; V543-N557 HydrophobicContact CB-CB 3.85Å; V543-N557 HydrophobicContact CG1-CB 4.31Å; V543-N557 HydrophobicContact CG2-CB 3.91Å; V543-V566 HydrophobicContact CB-CG2 4.49Å; V543-V566 HydrophobicContact CG1-CG1 4.1Å; V543-V566 HydrophobicContact CG1-CG2 4.04Å; V543-V566 HydrophobicContact CG2-CG2 3.8Å; V543-L568 PolarHBondContact N-O 3.42Å; V543-L568 VanDerWaalsContact N-O 3.09Å; V543-L569 HydrophobicContact CG2-CD1 3.77Å; V543-I570 PolarHBondContact O-N 2.91Å |
| 544 | C | 94.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 142.9 | 174.3 | -81.3 | 0 | 0 | 0 | 0 | 114.6 | C519 E523 N557 I570 | C519-C544 PolarHBondContact O-SG 3.31Å; E523-C544 VanDerWaalsContact CB-SG 3.54Å; E523-C544 PolarHBondContact OE1-N 3.3Å; E523-C544 VanDerWaalsContact OE1-N 3.13Å; C544-N557 PolarHBondContact O-ND2 3.37Å; C544-I570 CarbonylContact C-O 3.55Å; C544-I570 WeakPolarHBondContact CA-O 3.23Å |
| 545 | L | 89.6 | Confident | 87.4 | Confident | 9 Ų | 9 | 57.7 Ų | 57.7 | 5% | 0.047 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 101.8 | 172.9 | -168.7 | 80.7 | 0 | 0 | 0 | 110.4 | R554 L569 I570 C571 A575 I579 | L545-R554 HydrophobicContact CD1-CB 3.77Å; L545-R554 HydrophobicContact CD1-CG 4.08Å; L545-L569 HydrophobicContact CB-CD1 3.97Å; L545-I570 PolarHBondContact N-O 3.22Å; L545-C571 HydrophobicContact CB-CB 4.13Å; L545-C571 VanDerWaalsContact O-CA 3.28Å; L545-C571 WeakPolarHBondContact O-CA 3.44Å; L545-C571 VanDerWaalsContact O-CB 3.32Å; L545-C571 WeakPolarHBondContact O-CB 3.38Å; L545-A575 HydrophobicContact CD2-CB 4.35Å; L545-A575 VanDerWaalsContact CD2-O 3.25Å; L545-A575 WeakPolarHBondContact CD2-O 3.33Å; L545-A575 HydrophobicContact CG-CB 4.14Å; L545-A575 VanDerWaalsContact O-CB 3.23Å; L545-A575 WeakPolarHBondContact O-CB 3.41Å; L545-I579 HydrophobicContact CD2-CG2 3.91Å |
| 546 | H | 88.6 | Confident | 87.3 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -155.5 | 166.8 | 174.9 | 60.4 | 89.1 | 0 | 0 | 0 | 111.4 | K516 D520 D548 R549 R554 T572 | K516-H546 HydrophobicContact CB-CB 4.43Å; K516-H546 WeakPolarHBondContact CB-ND1 3.24Å; K516-H546 HydrophobicContact CG-CB 4.05Å; D520-H546 IonicContact OD1-CE1 3.3Å; D520-H546 IonicContact OD1-NE2 2.73Å; D520-H546 PolarHBondContact OD1-NE2 2.95Å; D520-H546 IonicContact OD2-CE1 3.61Å; D520-H546 IonicContact OD2-NE2 2.7Å; H546-D548 PolarHBondContact ND1-N 3.3Å; H546-D548 PolarHBondContact O-N 2.65Å; H546-R549 WeakPolarHBondContact NE2-CG 3.35Å; H546-R549 PolarHBondContact NE2-NE 2.94Å; H546-R549 PolarHBondContact O-N 3.07Å; H546-R549 VanDerWaalsContact O-N 3.1Å; H546-R554 WeakPolarHBondContact O-CD 3.34Å; H546-T572 HydrophobicContact CB-CG2 4Å |
| 547 | G | 78.5 | Confident | 87.5 | Confident | 49 Ų | 49 | 52.9 Ų | 52.9 | 51% | 0.505 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -7.5 | -168.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 548 | D | 82.4 | Confident | 87.7 | Confident | 112 Ų | 112 | 51.8 Ų | 51.8 | 60% | 0.599 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | -12.4 | 175.5 | -72.2 | -7.6 | 0 | 0 | 0 | 112.9 | K516 H546 | K516-D548 HydrophobicContact CD-CB 3.99Å; K516-D548 WeakPolarHBondContact CD-OD2 3.46Å; K516-D548 VanDerWaalsContact NZ-CG 3.33Å; K516-D548 IonicContact NZ-OD1 3.34Å; K516-D548 PolarHBondContact NZ-OD1 3.02Å; K516-D548 IonicContact NZ-OD2 3.55Å; H546-D548 PolarHBondContact ND1-N 3.3Å; H546-D548 PolarHBondContact O-N 2.65Å |
| 549 | R | 84.3 | Confident | 87.5 | Confident | 45 Ų | 45 | 51.2 Ų | 51.2 | 17% | 0.17 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -70.8 | 144.5 | 172.1 | -61.3 | -52.6 | -175 | 131.3 | -1.2 | 110.5 | D520 E523 H546 E553 R554 | D520-R549 IonicContact OD1-CZ 3.55Å; D520-R549 IonicContact OD1-NE 2.88Å; D520-R549 PolarHBondContact OD1-NE 2.73Å; D520-R549 IonicContact OD1-NH2 3.61Å; D520-R549 PolarHBondContact OD1-NH2 3.33Å; E523-R549 IonicContact OE1-NH2 3.95Å; E523-R549 IonicContact OE2-CZ 3.7Å; E523-R549 IonicContact OE2-NH1 2.85Å; E523-R549 IonicContact OE2-NH2 2.67Å; E523-R549 PolarHBondContact OE2-NH2 2.96Å; H546-R549 WeakPolarHBondContact NE2-CG 3.35Å; H546-R549 PolarHBondContact NE2-NE 2.94Å; H546-R549 PolarHBondContact O-N 3.07Å; H546-R549 VanDerWaalsContact O-N 3.1Å; R549-E553 WeakPolarHBondContact CD-OE1 3.45Å; R549-E553 IonicContact CZ-OE1 3.24Å; R549-E553 IonicContact NH1-OE1 2.68Å; R549-E553 PolarHBondContact NH1-OE1 3.37Å; R549-R554 HydrophobicContact CB-CG 3.58Å; R549-R554 PolarHBondContact O-NE 3.25Å |
| 550 | K | 82.1 | Confident | 87.4 | Confident | 156 Ų | 156 | 50.2 Ų | 50.2 | 68% | 0.678 | 26% | 0.258 | S | S | * | . | trans | -62 | 146.4 | -178.8 | -67.6 | 178.9 | -177.3 | 173.5 | 0 | 110.1 | N552 E553 R554 | K550-N552 VanDerWaalsContact C-N 3.33Å; K550-N552 PolarHBondContact O-N 2.88Å; K550-E553 HydrophobicContact CB-CB 4.07Å; K550-E553 PolarHBondContact N-OE2 3.45Å; K550-E553 WeakPolarHBondContact O-CA 3.34Å; K550-E553 WeakPolarHBondContact O-CB 3.39Å; K550-E553 PolarHBondContact O-N 3.06Å; K550-R554 PolarHBondContact O-N 3.14Å | ||
| 551 | P | 73.7 | Confident | 87.2 | Confident | 78 Ų | 78 | 50 Ų | 50 | 51% | 0.506 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -52.1 | -46.1 | -178.5 | -28.6 | 35.1 | 0 | 0 | 0 | 114.3 | E553 R554 K555 | P551-E553 VanDerWaalsContact C-N 3.33Å; P551-E553 PolarHBondContact O-N 2.96Å; P551-R554 PolarHBondContact O-N 3.25Å; P551-K555 PolarHBondContact O-N 3.45Å; P551-K555 VanDerWaalsContact O-N 3.12Å |
| 552 | N | 77.7 | Confident | 86.8 | Confident | 140 Ų | 140 | 54.1 Ų | 54.1 | 75% | 0.749 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -65.7 | -35.6 | 177.7 | -68.4 | -3.1 | 0 | 0 | 0 | 112.7 | K550 N556 | K550-N552 VanDerWaalsContact C-N 3.33Å; K550-N552 PolarHBondContact O-N 2.88Å; N552-N556 WeakPolarHBondContact O-CB 3.48Å; N552-N556 PolarHBondContact O-N 3.18Å |
| 553 | E | 85.8 | Confident | 86.3 | Confident | 61 Ų | 61 | 63 Ų | 63 | 29% | 0.285 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.7 | -44 | 176.7 | -175.1 | -172.5 | 173.8 | 0 | 0 | 110.7 | R549 K550 P551 K555 N556 N557 | R549-E553 WeakPolarHBondContact CD-OE1 3.45Å; R549-E553 IonicContact CZ-OE1 3.24Å; R549-E553 IonicContact NH1-OE1 2.68Å; R549-E553 PolarHBondContact NH1-OE1 3.37Å; K550-E553 HydrophobicContact CB-CB 4.07Å; K550-E553 PolarHBondContact N-OE2 3.45Å; K550-E553 WeakPolarHBondContact O-CA 3.34Å; K550-E553 WeakPolarHBondContact O-CB 3.39Å; K550-E553 PolarHBondContact O-N 3.06Å; P551-E553 VanDerWaalsContact C-N 3.33Å; P551-E553 PolarHBondContact O-N 2.96Å; E553-K555 PolarHBondContact O-N 3.27Å; E553-N556 PolarHBondContact O-N 3.36Å; E553-N557 VanDerWaalsContact O-CB 3.31Å; E553-N557 WeakPolarHBondContact O-CB 3.32Å; E553-N557 PolarHBondContact O-N 3.4Å; E553-N557 PolarHBondContact O-OD1 3.47Å |
| 554 | R | 82.4 | Confident | 86 | Confident | 39 Ų | 39 | 69.5 Ų | 69.5 | 15% | 0.147 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -57.8 | -47.5 | 175.5 | -71 | -171.6 | -70.3 | 139.8 | 12.4 | 111.8 | E297 L545 H546 R549 K550 P551 N557 L558 | E297-R554 IonicContact OE1-CZ 2.7Å; E297-R554 IonicContact OE1-NH1 3.98Å; E297-R554 PolarHBondContact OE1-NH1 3.04Å; E297-R554 IonicContact OE1-NH2 3.29Å; E297-R554 PolarHBondContact OE1-NH2 3.02Å; E297-R554 IonicContact OE2-NH1 3.84Å; L545-R554 HydrophobicContact CD1-CB 3.77Å; L545-R554 HydrophobicContact CD1-CG 4.08Å; H546-R554 WeakPolarHBondContact O-CD 3.34Å; R549-R554 HydrophobicContact CB-CG 3.58Å; R549-R554 PolarHBondContact O-NE 3.25Å; K550-R554 PolarHBondContact O-N 3.14Å; P551-R554 PolarHBondContact O-N 3.25Å; R554-N557 PolarHBondContact O-N 3.24Å; R554-L558 WeakPolarHBondContact O-CB 3.48Å; R554-L558 PolarHBondContact O-N 3.16Å |
| 555 | K | 81.6 | Confident | 85.9 | Confident | 134 Ų | 134 | 71.5 Ų | 71.5 | 58% | 0.583 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -60.6 | -49.4 | 176.9 | -175.1 | 174 | -178.3 | 170.6 | 0 | 111.5 | P551 E553 N557 L558 D559 | P551-K555 PolarHBondContact O-N 3.45Å; P551-K555 VanDerWaalsContact O-N 3.12Å; E553-K555 PolarHBondContact O-N 3.27Å; K555-N557 PolarHBondContact O-N 3.38Å; K555-L558 PolarHBondContact O-N 3.24Å; K555-D559 PolarHBondContact O-N 2.93Å |
| 556 | N | 89.2 | Confident | 86.1 | Confident | 82 Ų | 82 | 71.1 Ų | 71.1 | 44% | 0.439 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62 | -42 | 178.9 | -175.2 | 51.3 | 0 | 0 | 0 | 112.5 | N552 E553 D559 R560 | N552-N556 WeakPolarHBondContact O-CB 3.48Å; N552-N556 PolarHBondContact O-N 3.18Å; E553-N556 PolarHBondContact O-N 3.36Å; N556-D559 PolarHBondContact O-N 2.97Å; N556-R560 VanDerWaalsContact O-CG 3.27Å; N556-R560 WeakPolarHBondContact O-CG 3.39Å; N556-R560 PolarHBondContact O-N 2.82Å |
| 557 | N | 91.2 | Very high | 86.4 | Confident | 9 Ų | 9 | 73.8 Ų | 73.8 | 5% | 0.048 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63 | -44.2 | 177.6 | -74.4 | -1.4 | 0 | 0 | 0 | 111.3 | V543 C544 E553 R554 K555 D559 R560 F561 | V543-N557 HydrophobicContact CB-CB 3.85Å; V543-N557 HydrophobicContact CG1-CB 4.31Å; V543-N557 HydrophobicContact CG2-CB 3.91Å; C544-N557 PolarHBondContact O-ND2 3.37Å; E553-N557 VanDerWaalsContact O-CB 3.31Å; E553-N557 WeakPolarHBondContact O-CB 3.32Å; E553-N557 PolarHBondContact O-N 3.4Å; E553-N557 PolarHBondContact O-OD1 3.47Å; R554-N557 PolarHBondContact O-N 3.24Å; K555-N557 PolarHBondContact O-N 3.38Å; N557-D559 VanDerWaalsContact C-N 3.35Å; N557-D559 PolarHBondContact O-N 2.97Å; N557-R560 PolarHBondContact O-N 3.39Å; N557-F561 PolarHBondContact O-N 2.85Å |
| 558 | L | 87.3 | Confident | 87.3 | Confident | 31 Ų | 31 | 71.5 Ų | 71.5 | 16% | 0.162 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.4 | -44.2 | 175.3 | -173.2 | 63.7 | 0 | 0 | 0 | 111.5 | R554 K555 F561 K562 L569 I579 V581 | R554-L558 WeakPolarHBondContact O-CB 3.48Å; R554-L558 PolarHBondContact O-N 3.16Å; K555-L558 PolarHBondContact O-N 3.24Å; L558-F561 PolarHBondContact O-N 2.94Å; L558-K562 HydrophobicContact CG-CD 4.48Å; L558-K562 WeakPolarHBondContact O-CG 3.39Å; L558-K562 PolarHBondContact O-N 3.07Å; L558-L569 HydrophobicContact CD1-CD2 4.41Å; L558-I579 HydrophobicContact CD1-CB 4.43Å; L558-V581 HydrophobicContact CD1-CG2 3.64Å |
| 559 | D | 88.5 | Confident | 88 | Confident | 53 Ų | 53 | 66.1 Ų | 66.1 | 28% | 0.283 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.1 | -42 | 178 | -73.3 | -23.2 | 0 | 0 | 0 | 112.1 | K555 N556 N557 F561 K562 R563 | K555-D559 PolarHBondContact O-N 2.93Å; N556-D559 PolarHBondContact O-N 2.97Å; N557-D559 VanDerWaalsContact C-N 3.35Å; N557-D559 PolarHBondContact O-N 2.97Å; D559-F561 VanDerWaalsContact C-N 3.31Å; D559-F561 PolarHBondContact O-N 3.24Å; D559-K562 PolarHBondContact O-N 3.48Å; D559-R563 WeakPolarHBondContact O-CB 3.41Å; D559-R563 VanDerWaalsContact O-CG 3.31Å; D559-R563 WeakPolarHBondContact O-CG 3.42Å; D559-R563 PolarHBondContact O-N 3.38Å |
| 560 | R | 91.7 | Very high | 88.6 | Confident | 52 Ų | 52 | 64 Ų | 64 | 20% | 0.196 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.8 | -41.7 | 174.7 | -72.8 | 173.4 | 78.9 | 155.9 | 17 | 111.6 | P533 D534 N556 N557 K564 D565 V566 | P533-R560 PolarHBondContact O-NH2 3.3Å; D534-R560 IonicContact OD1-CZ 3.2Å; D534-R560 IonicContact OD1-NH1 2.7Å; D534-R560 PolarHBondContact OD1-NH1 3.42Å; D534-R560 IonicContact OD1-NH2 3.32Å; D534-R560 PolarHBondContact OD1-NH2 3.12Å; N556-R560 VanDerWaalsContact O-CG 3.27Å; N556-R560 WeakPolarHBondContact O-CG 3.39Å; N556-R560 PolarHBondContact O-N 2.82Å; N557-R560 PolarHBondContact O-N 3.39Å; R560-K564 PolarHBondContact O-N 3.42Å; R560-D565 HydrophobicContact CB-CB 4.29Å; R560-D565 WeakPolarHBondContact O-CB 3.25Å; R560-D565 PolarHBondContact O-N 3.01Å; R560-V566 HydrophobicContact CB-CG2 4.26Å |
| 561 | F | 92.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.1 | -44.6 | 176.4 | -178.1 | -117 | 0 | 0 | 0 | 112.2 | Q508 I510 N557 L558 D559 R563 K564 V566 K567 L569 V581 V584 | Q508-F561 HydrophobicContact CG-CE2 3.62Å; Q508-F561 HydrophobicContact CG-CZ 3.73Å; Q508-F561 PolarHBondContact NE2-O 2.95Å; I510-F561 HydrophobicContact CD1-CE1 4.33Å; I510-F561 HydrophobicContact CG1-CE1 3.92Å; I510-F561 HydrophobicContact CG1-CZ 3.84Å; N557-F561 PolarHBondContact O-N 2.85Å; L558-F561 PolarHBondContact O-N 2.94Å; D559-F561 VanDerWaalsContact C-N 3.31Å; D559-F561 PolarHBondContact O-N 3.24Å; F561-R563 VanDerWaalsContact C-N 3.28Å; F561-R563 PolarHBondContact O-N 3.31Å; F561-K564 PolarHBondContact O-N 2.97Å; F561-V566 HydrophobicContact CB-CG2 4.15Å; F561-V566 HydrophobicContact CD2-CG2 4.39Å; F561-K567 WeakPolarHBondContact CE2-O 3.23Å; F561-L569 HydrophobicContact CB-CD1 4.49Å; F561-L569 HydrophobicContact CD1-CB 3.8Å; F561-L569 HydrophobicContact CD1-CD2 3.67Å; F561-L569 HydrophobicContact CD1-CG 4.25Å; F561-L569 HydrophobicContact CD2-CB 3.77Å; F561-L569 HydrophobicContact CE1-CB 3.77Å; F561-L569 HydrophobicContact CE1-CD2 3.84Å; F561-L569 HydrophobicContact CE1-CG 4.44Å; F561-L569 HydrophobicContact CE2-CB 3.77Å; F561-L569 HydrophobicContact CG-CB 3.78Å; F561-L569 HydrophobicContact CG-CD2 4.31Å; F561-L569 HydrophobicContact CG-CG 4.44Å; F561-L569 HydrophobicContact CZ-CB 3.77Å; F561-V581 HydrophobicContact CD1-CG1 3.99Å; F561-V581 HydrophobicContact CE1-CG1 3.58Å; F561-V584 HydrophobicContact CE1-CG2 4.34Å; F561-V584 HydrophobicContact CZ-CG1 4.43Å; F561-V584 HydrophobicContact CZ-CG2 4.34Å |
| 562 | K | 87.4 | Confident | 90 | Very high | 86 Ų | 86 | 53.4 Ų | 53.4 | 37% | 0.374 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.7 | -39.4 | 176.2 | -75.7 | -174.5 | 174.4 | -156.7 | 0 | 112.2 | L558 D559 K564 D580 V581 | L558-K562 HydrophobicContact CG-CD 4.48Å; L558-K562 WeakPolarHBondContact O-CG 3.39Å; L558-K562 PolarHBondContact O-N 3.07Å; D559-K562 PolarHBondContact O-N 3.48Å; K562-K564 PolarHBondContact O-N 3.37Å; K562-D580 WeakPolarHBondContact CE-O 3.2Å; K562-D580 PolarHBondContact NZ-O 3.23Å; K562-D580 IonicContact NZ-OD2 2.7Å; K562-V581 HydrophobicContact CD-CG2 4.42Å; K562-V581 HydrophobicContact CG-CG2 3.98Å |
| 563 | R | 88.1 | Confident | 90 | Very high | 185 Ų | 185 | 47.8 Ų | 47.8 | 70% | 0.698 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -0.9 | 177.1 | -68 | 176.4 | -174.3 | 177.3 | 3.8 | 114.1 | D559 F561 D565 | D559-R563 WeakPolarHBondContact O-CB 3.41Å; D559-R563 VanDerWaalsContact O-CG 3.31Å; D559-R563 WeakPolarHBondContact O-CG 3.42Å; D559-R563 PolarHBondContact O-N 3.38Å; F561-R563 VanDerWaalsContact C-N 3.28Å; F561-R563 PolarHBondContact O-N 3.31Å; R563-D565 PolarHBondContact O-N 3.14Å |
| 564 | K | 89.1 | Confident | 89.2 | Confident | 138 Ų | 138 | 50.3 Ų | 50.3 | 60% | 0.6 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 27.7 | -175.1 | -53.7 | -174.9 | 175.5 | -165.8 | 0 | 113.7 | R560 F561 K562 | R560-K564 PolarHBondContact O-N 3.42Å; F561-K564 PolarHBondContact O-N 2.97Å; K562-K564 PolarHBondContact O-N 3.37Å |
| 565 | D | 91.8 | Very high | 88.3 | Confident | 41 Ų | 41 | 49.3 Ų | 49.3 | 22% | 0.219 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -69 | -29.3 | 170.8 | -71.7 | -39.6 | 0 | 0 | 0 | 111.1 | K536 R560 R563 | K536-D565 WeakPolarHBondContact CE-OD1 3.32Å; K536-D565 IonicContact NZ-OD1 2.6Å; K536-D565 PolarHBondContact NZ-OD1 3.29Å; R560-D565 HydrophobicContact CB-CB 4.29Å; R560-D565 WeakPolarHBondContact O-CB 3.25Å; R560-D565 PolarHBondContact O-N 3.01Å; R563-D565 PolarHBondContact O-N 3.14Å |
| 566 | V | 94.8 | Very high | 87.5 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -124.5 | 147.8 | 171 | -63.6 | 0 | 0 | 0 | 0 | 109.7 | P533 V543 R560 F561 | P533-V566 VanDerWaalsContact O-CG1 3.32Å; P533-V566 WeakPolarHBondContact O-CG1 3.45Å; V543-V566 HydrophobicContact CB-CG2 4.49Å; V543-V566 HydrophobicContact CG1-CG1 4.1Å; V543-V566 HydrophobicContact CG1-CG2 4.04Å; V543-V566 HydrophobicContact CG2-CG2 3.8Å; R560-V566 HydrophobicContact CB-CG2 4.26Å; F561-V566 HydrophobicContact CB-CG2 4.15Å; F561-V566 HydrophobicContact CD2-CG2 4.39Å |
| 567 | K | 94.9 | Very high | 86.4 | Confident | 58 Ų | 58 | 41.2 Ų | 41.2 | 25% | 0.252 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -87.5 | -27.2 | -177.2 | -64 | -172.4 | -172.2 | -177.8 | 0 | 113.3 | D507 Q508 A509 G537 S541 F561 | D507-K567 WeakPolarHBondContact O-CB 3.38Å; D507-K567 VanDerWaalsContact O-CG 3.27Å; D507-K567 WeakPolarHBondContact O-CG 3.32Å; Q508-K567 CarbonylContact C-O 3.58Å; Q508-K567 VanDerWaalsContact CA-O 3.23Å; Q508-K567 WeakPolarHBondContact CA-O 3.28Å; A509-K567 PolarHBondContact N-O 2.85Å; G537-K567 WeakPolarHBondContact O-CE 3.32Å; G537-K567 PolarHBondContact O-NZ 3.35Å; S541-K567 PolarHBondContact O-N 3.3Å; S541-K567 WeakPolarHBondContact OG-CG 3.45Å; S541-K567 PolarHBondContact OG-N 2.86Å; F561-K567 WeakPolarHBondContact CE2-O 3.23Å |
| 568 | L | 97.2 | Very high | 84.6 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 132.4 | -170.6 | -48.5 | 173.8 | 0 | 0 | 0 | 111 | I501 A509 I511 F526 F540 S541 C542 V543 | I501-L568 HydrophobicContact CD1-CD1 3.78Å; I501-L568 HydrophobicContact CD1-CD2 4.38Å; I501-L568 HydrophobicContact CG1-CD2 4.49Å; A509-L568 HydrophobicContact CB-CD2 3.77Å; A509-L568 WeakPolarHBondContact O-CA 3.27Å; I511-L568 HydrophobicContact CD1-CB 4.19Å; I511-L568 HydrophobicContact CD1-CD1 4.22Å; I511-L568 HydrophobicContact CD1-CD2 4.39Å; F526-L568 HydrophobicContact CD2-CD1 3.88Å; F526-L568 HydrophobicContact CE2-CD1 3.59Å; F526-L568 HydrophobicContact CZ-CD1 4.16Å; F540-L568 HydrophobicContact CD1-CD1 4.27Å; S541-L568 PolarHBondContact O-N 3.3Å; C542-L568 WeakPolarHBondContact CA-O 3.46Å; C542-L568 HydrophobicContact CB-CB 3.79Å; C542-L568 HydrophobicContact CB-CD1 4.4Å; V543-L568 PolarHBondContact N-O 3.42Å; V543-L568 VanDerWaalsContact N-O 3.09Å |
| 569 | L | 95.9 | Very high | 83.6 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 116.3 | 170.3 | -180 | 65.8 | 0 | 0 | 0 | 109.1 | A509 I510 I511 V543 L545 L558 F561 I579 | A509-L569 PolarHBondContact O-N 3.37Å; I510-L569 CarbonylContact C-O 3.58Å; I510-L569 WeakPolarHBondContact CA-O 3.25Å; I510-L569 HydrophobicContact CG1-CB 4.38Å; I510-L569 HydrophobicContact CG1-CD2 4.44Å; I511-L569 PolarHBondContact N-O 2.71Å; V543-L569 HydrophobicContact CG2-CD1 3.77Å; L545-L569 HydrophobicContact CB-CD1 3.97Å; L558-L569 HydrophobicContact CD1-CD2 4.41Å; F561-L569 HydrophobicContact CB-CD1 4.49Å; F561-L569 HydrophobicContact CD1-CB 3.8Å; F561-L569 HydrophobicContact CD1-CD2 3.67Å; F561-L569 HydrophobicContact CD1-CG 4.25Å; F561-L569 HydrophobicContact CD2-CB 3.77Å; F561-L569 HydrophobicContact CE1-CB 3.77Å; F561-L569 HydrophobicContact CE1-CD2 3.84Å; F561-L569 HydrophobicContact CE1-CG 4.44Å; F561-L569 HydrophobicContact CE2-CB 3.77Å; F561-L569 HydrophobicContact CG-CB 3.78Å; F561-L569 HydrophobicContact CG-CD2 4.31Å; F561-L569 HydrophobicContact CG-CG 4.44Å; F561-L569 HydrophobicContact CZ-CB 3.77Å; L569-I579 HydrophobicContact CD2-CD1 3.98Å |
| 570 | I | 97.2 | Very high | 82.5 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 124.6 | 178.9 | -54.2 | 164 | 0 | 0 | 0 | 108.6 | I511 C519 M522 E523 F526 C542 V543 C544 L545 | I511-I570 HydrophobicContact CB-CG1 4.28Å; I511-I570 HydrophobicContact CD1-CG1 4.34Å; I511-I570 CarbonylContact O-C 3.58Å; I511-I570 WeakPolarHBondContact O-CA 3.47Å; C519-I570 HydrophobicContact CB-CG2 3.8Å; M522-I570 HydrophobicContact CB-CD1 4.17Å; M522-I570 HydrophobicContact CB-CG2 4.36Å; M522-I570 HydrophobicContact CG-CD1 3.99Å; E523-I570 HydrophobicContact CB-CD1 3.98Å; F526-I570 HydrophobicContact CD2-CD1 3.86Å; F526-I570 HydrophobicContact CE2-CD1 3.91Å; F526-I570 HydrophobicContact CE2-CG1 4.34Å; C542-I570 HydrophobicContact CB-CD1 4.11Å; V543-I570 PolarHBondContact O-N 2.91Å; C544-I570 CarbonylContact C-O 3.55Å; C544-I570 WeakPolarHBondContact CA-O 3.23Å; L545-I570 PolarHBondContact N-O 3.22Å |
| 571 | C | 94.5 | Very high | 81.3 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 161.6 | -173.7 | 58.9 | 0 | 0 | 0 | 0 | 114.8 | I510 I511 F512 C513 C519 L545 A576 | I510-C571 VanDerWaalsContact CG2-SG 3.57Å; I511-C571 PolarHBondContact O-N 3.49Å; F512-C571 WeakPolarHBondContact CA-O 3.4Å; C513-C571 PolarHBondContact N-O 3.34Å; C519-C571 VanDerWaalsContact SG-C 3.54Å; L545-C571 HydrophobicContact CB-CB 4.13Å; L545-C571 VanDerWaalsContact O-CA 3.28Å; L545-C571 WeakPolarHBondContact O-CA 3.44Å; L545-C571 VanDerWaalsContact O-CB 3.32Å; L545-C571 WeakPolarHBondContact O-CB 3.38Å; C571-A576 HydrophobicContact CB-CB 4.42Å |
| 572 | T | 90.6 | Very high | 80.1 | Confident | 12 Ų | 12 | 42 Ų | 42 | 7% | 0.074 | 21% | 0.207 | C | C | . | . | trans | -94.3 | 157 | 165.9 | 58.5 | 0 | 0 | 0 | 0 | 110.6 | K516 H546 V574 A575 A576 | K516-T572 HydrophobicContact CG-CG2 4.38Å; H546-T572 HydrophobicContact CB-CG2 4Å; T572-V574 VanDerWaalsContact C-N 3.31Å; T572-V574 PolarHBondContact O-N 3.45Å; T572-A575 PolarHBondContact O-N 2.76Å; T572-A576 PolarHBondContact O-N 2.61Å; T572-A576 VanDerWaalsContact O-N 3.16Å | ||
| 573 | D | 79.4 | Confident | 79.1 | Confident | 21 Ų | 21 | 39.5 Ų | 39.5 | 11% | 0.112 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -48.9 | -48.9 | 177.9 | -65.3 | -75.1 | 0 | 0 | 0 | 113.6 | A575 A576 R577 R602 | D573-A575 PolarHBondContact O-N 2.97Å; D573-A576 PolarHBondContact O-N 2.96Å; D573-R577 WeakPolarHBondContact O-CG 3.39Å; D573-R577 PolarHBondContact O-N 3.24Å; D573-R602 IonicContact OD1-CZ 2.91Å; D573-R602 IonicContact OD1-NE 3.24Å; D573-R602 PolarHBondContact OD1-NE 2.7Å; D573-R602 IonicContact OD1-NH2 3.3Å; D573-R602 PolarHBondContact OD1-NH2 3.1Å; D573-R602 IonicContact OD2-CZ 3.25Å; D573-R602 IonicContact OD2-NE 3.78Å; D573-R602 IonicContact OD2-NH2 3.54Å; D573-R602 PolarHBondContact OD2-NH2 3.35Å |
| 574 | V | 68 | Low | 79 | Confident | 115 Ų | 115 | 30.8 Ų | 30.8 | 70% | 0.697 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -57.8 | -36.3 | -177.6 | 178.5 | 0 | 0 | 0 | 0 | 112.3 | T572 | T572-V574 VanDerWaalsContact C-N 3.31Å; T572-V574 PolarHBondContact O-N 3.45Å |
| 575 | A | 64.5 | Low | 78.9 | Confident | 17 Ų | 17 | 25 Ų | 25 | 14% | 0.14 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -86.3 | -17.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113 | L545 T572 D573 I579 | L545-A575 HydrophobicContact CD2-CB 4.35Å; L545-A575 VanDerWaalsContact CD2-O 3.25Å; L545-A575 WeakPolarHBondContact CD2-O 3.33Å; L545-A575 HydrophobicContact CG-CB 4.14Å; L545-A575 VanDerWaalsContact O-CB 3.23Å; L545-A575 WeakPolarHBondContact O-CB 3.41Å; T572-A575 PolarHBondContact O-N 2.76Å; D573-A575 PolarHBondContact O-N 2.97Å; A575-I579 VanDerWaalsContact O-CG2 3.27Å; A575-I579 WeakPolarHBondContact O-CG2 3.48Å |
| 576 | A | 64.8 | Low | 78.9 | Confident | 3 Ų | 3 | 23.8 Ų | 23.8 | 3% | 0.025 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -96.5 | -13.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | F512 C571 T572 D573 I579 R605 | F512-A576 HydrophobicContact CD1-CB 4.48Å; F512-A576 HydrophobicContact CE1-CB 3.43Å; F512-A576 VanDerWaalsContact CE1-CB 3.43Å; F512-A576 HydrophobicContact CZ-CB 3.98Å; C571-A576 HydrophobicContact CB-CB 4.42Å; T572-A576 PolarHBondContact O-N 2.61Å; T572-A576 VanDerWaalsContact O-N 3.16Å; D573-A576 PolarHBondContact O-N 2.96Å; A576-I579 HydrophobicContact CB-CD1 4.3Å; A576-I579 WeakPolarHBondContact O-CG1 3.45Å; A576-R605 PolarHBondContact O-NH2 3.34Å |
| 577 | R | 66 | Low | 78.9 | Confident | 43 Ų | 43 | 23.7 Ų | 23.7 | 16% | 0.162 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | 135.9 | 166.9 | -73.2 | -179.6 | -175.6 | 160.5 | -7.1 | 109.4 | D573 I579 E595 N598 | D573-R577 WeakPolarHBondContact O-CG 3.39Å; D573-R577 PolarHBondContact O-N 3.24Å; R577-I579 PolarHBondContact O-N 2.83Å; R577-I579 VanDerWaalsContact O-N 3.15Å; R577-E595 IonicContact NH2-OE2 2.75Å; R577-N598 PolarHBondContact NH2-ND2 2.96Å; R577-N598 PolarHBondContact NH2-OD1 3.42Å |
| 578 | G | 53 | Low | 79.1 | Confident | 9 Ų | 9 | 21 Ų | 21 | 9% | 0.093 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | -1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | E371 D580 | E371-G578 VanDerWaalsContact OE1-CA 3.28Å; E371-G578 WeakPolarHBondContact OE1-CA 3.4Å; E371-G578 PolarHBondContact OE1-N 2.99Å; G578-D580 PolarHBondContact O-N 2.88Å |
| 579 | I | 65.6 | Low | 79.1 | Confident | 15 Ų | 15 | 21 Ų | 21 | 8% | 0.077 | 13% | 0.129 | C | C | . | . | trans | -71.1 | 125.1 | 173.8 | 69.6 | 179.1 | 0 | 0 | 0 | 109.5 | L545 L558 L569 A575 A576 R577 V581 R605 | L545-I579 HydrophobicContact CD2-CG2 3.91Å; L558-I579 HydrophobicContact CD1-CB 4.43Å; L569-I579 HydrophobicContact CD2-CD1 3.98Å; A575-I579 VanDerWaalsContact O-CG2 3.27Å; A575-I579 WeakPolarHBondContact O-CG2 3.48Å; A576-I579 HydrophobicContact CB-CD1 4.3Å; A576-I579 WeakPolarHBondContact O-CG1 3.45Å; R577-I579 PolarHBondContact O-N 2.83Å; R577-I579 VanDerWaalsContact O-N 3.15Å; I579-V581 HydrophobicContact CD1-CB 4.35Å; I579-V581 HydrophobicContact CD1-CG2 4.43Å; I579-V581 HydrophobicContact CG1-CB 4.35Å; I579-V581 HydrophobicContact CG1-CG2 4.45Å; I579-V581 PolarHBondContact O-N 2.95Å; I579-R605 PolarHBondContact O-NH1 2.87Å | ||
| 580 | D | 65.9 | Low | 79.2 | Confident | 83 Ų | 83 | 21.4 Ų | 21.4 | 44% | 0.444 | 13% | 0.132 | S | C | . | . | S | Bend | trans | -75.9 | 66.2 | 172.4 | 178.5 | 38.9 | 0 | 0 | 0 | 110.2 | K562 G578 | K562-D580 WeakPolarHBondContact CE-O 3.2Å; K562-D580 PolarHBondContact NZ-O 3.23Å; K562-D580 IonicContact NZ-OD2 2.7Å; G578-D580 PolarHBondContact O-N 2.88Å |
| 581 | V | 67.3 | Low | 79.1 | Confident | 14 Ų | 14 | 22 Ų | 22 | 9% | 0.085 | 14% | 0.136 | C | C | . | . | trans | -139.8 | 84.6 | 173.8 | -168.5 | 0 | 0 | 0 | 0 | 107.9 | L558 F561 K562 I579 V584 | L558-V581 HydrophobicContact CD1-CG2 3.64Å; F561-V581 HydrophobicContact CD1-CG1 3.99Å; F561-V581 HydrophobicContact CE1-CG1 3.58Å; K562-V581 HydrophobicContact CD-CG2 4.42Å; K562-V581 HydrophobicContact CG-CG2 3.98Å; I579-V581 HydrophobicContact CD1-CB 4.35Å; I579-V581 HydrophobicContact CD1-CG2 4.43Å; I579-V581 HydrophobicContact CG1-CB 4.35Å; I579-V581 HydrophobicContact CG1-CG2 4.45Å; I579-V581 PolarHBondContact O-N 2.95Å; V581-V584 HydrophobicContact CG1-CG2 3.82Å | ||
| 582 | S | 65.3 | Low | 79.1 | Confident | 41 Ų | 41 | 22 Ų | 22 | 29% | 0.287 | 14% | 0.136 | S | C | . | . | trans | -115.4 | 152 | 176.7 | 57.6 | 0 | 0 | 0 | 0 | 110.7 | R608 | S582-R608 PolarHBondContact OG-NE 3.01Š| ||
| 583 | G | 68.3 | Low | 79.1 | Confident | 33 Ų | 33 | 21.5 Ų | 21.5 | 34% | 0.34 | 13% | 0.133 | S | C | . | . | trans | 83.8 | 28.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | R605 | G583-R605 PolarHBondContact N-O 2.92Š| ||
| 584 | V | 85.3 | Confident | 79.4 | Confident | 3 Ų | 3 | 24.2 Ų | 24.2 | 2% | 0.018 | 15% | 0.147 | C | C | . | . | B | Isolated β-bridge | trans | -72.5 | 144 | 171.4 | -177.1 | 0 | 0 | 0 | 0 | 108.9 | Q508 I510 F561 V581 Y586 R605 V606 | Q508-V584 HydrophobicContact CB-CG1 4.31Å; Q508-V584 HydrophobicContact CG-CG1 4.03Å; Q508-V584 VanDerWaalsContact O-CG1 3.29Å; Q508-V584 WeakPolarHBondContact O-CG1 3.48Å; I510-V584 HydrophobicContact CD1-CB 4.46Å; I510-V584 HydrophobicContact CD1-CG2 3.82Å; I510-V584 HydrophobicContact CG1-CG1 4.43Å; I510-V584 HydrophobicContact CG1-CG2 4.17Å; F561-V584 HydrophobicContact CE1-CG2 4.34Å; F561-V584 HydrophobicContact CZ-CG1 4.43Å; F561-V584 HydrophobicContact CZ-CG2 4.34Å; V581-V584 HydrophobicContact CG1-CG2 3.82Å; V584-Y586 VanDerWaalsContact C-N 3.32Å; V584-Y586 WeakPolarHBondContact CG1-O 3.47Å; V584-Y586 PolarHBondContact O-N 3.28Å; V584-R605 PolarHBondContact N-O 2.98Å; V584-V606 WeakPolarHBondContact O-CA 3.28Å; V584-V606 VanDerWaalsContact O-CB 3.31Å; V584-V606 WeakPolarHBondContact O-CB 3.39Å; V584-V606 WeakPolarHBondContact O-CG1 3.33Å |
| 585 | P | 86.8 | Confident | 80.1 | Confident | 17 Ų | 17 | 22.5 Ų | 22.5 | 11% | 0.11 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -66.9 | -31.5 | -179.6 | -22.8 | 34.7 | 0 | 0 | 0 | 113.8 | G613 L614 | P585-G613 WeakPolarHBondContact O-CA 3.49Å; P585-L614 PolarHBondContact O-N 3.33Å |
| 586 | Y | 92.8 | Very high | 81 | Confident | 14 Ų | 14 | 24.6 Ų | 24.6 | 6% | 0.055 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 141.8 | -172.8 | -54 | -77.9 | 0 | 0 | 0 | 113.5 | H504 M506 Q508 A509 I510 V584 V606 L614 Y690 | H504-Y586 HydrophobicContact CB-CE1 4.05Å; H504-Y586 PolarHBondContact O-OH 3.34Å; M506-Y586 HydrophobicContact CB-CD2 3.74Å; M506-Y586 HydrophobicContact CB-CE2 4.19Å; M506-Y586 HydrophobicContact CB-CG 4.18Å; M506-Y586 HydrophobicContact CE-CD1 3.92Å; M506-Y586 HydrophobicContact CE-CG 4.08Å; M506-Y586 HydrophobicContact CG-CD1 3.99Å; M506-Y586 HydrophobicContact CG-CD2 3.65Å; M506-Y586 HydrophobicContact CG-CE1 4.4Å; M506-Y586 HydrophobicContact CG-CE2 4.11Å; M506-Y586 HydrophobicContact CG-CG 3.62Å; M506-Y586 HydrophobicContact SD-CD1 4.37Å; M506-Y586 HydrophobicContact SD-CD2 4.46Å; M506-Y586 HydrophobicContact SD-CG 3.95Å; Q508-Y586 WeakPolarHBondContact O-CD2 3.35Å; Q508-Y586 PolarHBondContact O-N 3.33Å; A509-Y586 VanDerWaalsContact CA-O 3.25Å; A509-Y586 WeakPolarHBondContact CA-O 3.36Å; I510-Y586 PolarHBondContact N-O 3.49Å; V584-Y586 VanDerWaalsContact C-N 3.32Å; V584-Y586 WeakPolarHBondContact CG1-O 3.47Å; V584-Y586 PolarHBondContact O-N 3.28Å; Y586-V606 VanDerWaalsContact C-CG1 3.41Å; Y586-L614 CarbonylContact C-O 3.58Å; Y586-L614 VanDerWaalsContact CA-O 3.31Å; Y586-L614 WeakPolarHBondContact CA-O 3.32Å; Y586-L614 HydrophobicContact CD1-CB 3.92Å; Y586-L614 HydrophobicContact CD1-CD2 4.26Å; Y586-L614 HydrophobicContact CE1-CB 4.21Å; Y586-L614 HydrophobicContact CE1-CD2 4.28Å; Y586-Y690 HydrophobicContact CE1-CD2 4.38Å; Y586-Y690 HydrophobicContact CE1-CG 4.26Å; Y586-Y690 WeakPolarHBondContact OH-CB 3.21Å; Y586-Y690 PolarHBondContact OH-O 3.35Å |
| 587 | V | 94.8 | Very high | 81.6 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 138.2 | 166.6 | 155.6 | 0 | 0 | 0 | 0 | 109.1 | I510 F512 R605 V606 L614 A615 I616 | I510-V587 HydrophobicContact CB-CG2 4.06Å; I510-V587 CarbonylContact O-C 3.56Å; I510-V587 VanDerWaalsContact O-CA 3.3Å; I510-V587 WeakPolarHBondContact O-CA 3.37Å; F512-V587 HydrophobicContact CD2-CG1 4Å; F512-V587 HydrophobicContact CE2-CG1 4.12Å; F512-V587 HydrophobicContact CE2-CG2 4.29Å; V587-R605 HydrophobicContact CG2-CB 4.08Å; V587-V606 HydrophobicContact CB-CG1 3.61Å; V587-V606 HydrophobicContact CG2-CG1 3.38Å; V587-L614 PolarHBondContact N-O 3.3Å; V587-A615 HydrophobicContact CB-CB 4.36Å; V587-A615 HydrophobicContact CG1-CB 4.43Å; V587-A615 CarbonylContact O-C 3.56Å; V587-A615 WeakPolarHBondContact O-CA 3.32Å; V587-I616 PolarHBondContact O-N 3.3Å |
| 588 | I | 97.6 | Very high | 82.3 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 119.5 | 170.5 | -57.7 | 174.5 | 0 | 0 | 0 | 108.8 | T497 A500 I501 M506 I510 I511 F512 V590 I616 | T497-I588 HydrophobicContact CG2-CD1 4.15Å; T497-I588 HydrophobicContact CG2-CG2 4.4Å; A500-I588 HydrophobicContact CB-CD1 4.06Å; I501-I588 HydrophobicContact CD1-CD1 4.44Å; I501-I588 HydrophobicContact CG1-CD1 3.87Å; M506-I588 HydrophobicContact CE-CD1 3.92Å; M506-I588 HydrophobicContact CE-CG1 4.03Å; M506-I588 HydrophobicContact SD-CD1 3.74Å; M506-I588 HydrophobicContact SD-CG1 4.2Å; I510-I588 PolarHBondContact O-N 3.48Å; I511-I588 CarbonylContact C-O 3.53Å; I511-I588 WeakPolarHBondContact CA-O 3.47Å; I511-I588 HydrophobicContact CG1-CB 4.32Å; I511-I588 HydrophobicContact CG1-CD1 4.44Å; F512-I588 PolarHBondContact N-O 2.73Å; I588-V590 HydrophobicContact CG2-CG2 4.18Å; I588-I616 CarbonylContact C-O 3.54Å; I588-I616 WeakPolarHBondContact CA-O 3.23Å |
| 589 | N | 97.7 | Very high | 84 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 100 | 167.4 | -60.2 | -47.7 | 0 | 0 | 0 | 108.4 | T591 R602 I616 S617 L618 | N589-T591 VanDerWaalsContact C-N 3.27Å; N589-R602 WeakPolarHBondContact OD1-CD 3.42Å; N589-I616 PolarHBondContact N-O 2.76Å; N589-S617 PolarHBondContact ND2-OG 2.78Å; N589-L618 PolarHBondContact O-N 2.91Å |
| 590 | V | 97.7 | Very high | 84.8 | Confident | 10 Ų | 10 | 24.5 Ų | 24.5 | 6% | 0.061 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -69.7 | -32.3 | 178 | -176.3 | 0 | 0 | 0 | 0 | 110.8 | K493 T497 I511 F512 M522 I588 | K493-V590 HydrophobicContact CB-CG1 4.1Å; K493-V590 VanDerWaalsContact CD-O 3.23Å; K493-V590 WeakPolarHBondContact CD-O 3.16Å; K493-V590 WeakPolarHBondContact CE-O 3.45Å; K493-V590 PolarHBondContact NZ-O 3.47Å; T497-V590 HydrophobicContact CG2-CG2 4.45Å; I511-V590 HydrophobicContact CG2-CG2 3.43Å; I511-V590 VanDerWaalsContact CG2-CG2 3.43Å; F512-V590 WeakPolarHBondContact O-CB 3.5Å; F512-V590 PolarHBondContact O-N 2.92Å; M522-V590 HydrophobicContact CE-CG1 4.06Å; M522-V590 HydrophobicContact CE-CG2 4.18Å; I588-V590 HydrophobicContact CG2-CG2 4.18Å |
| 591 | T | 94.6 | Very high | 85.4 | Confident | 13 Ų | 13 | 22 Ų | 22 | 8% | 0.08 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -134.6 | 135.5 | 175.7 | -44.2 | 0 | 0 | 0 | 0 | 107.3 | R514 N589 R602 Y653 E655 | R514-T591 HydrophobicContact CB-CG2 3.87Å; N589-T591 VanDerWaalsContact C-N 3.27Å; T591-R602 PolarHBondContact O-NH1 3.49Å; T591-Y653 HydrophobicContact CG2-CD1 4.37Å; T591-Y653 HydrophobicContact CG2-CE1 3.83Å; T591-E655 VanDerWaalsContact CA-OE1 3.28Å; T591-E655 WeakPolarHBondContact CA-OE1 3.38Å; T591-E655 WeakPolarHBondContact CG2-OE1 3.44Å |
| 592 | L | 95.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | trans | -63.4 | 144.5 | 173.9 | -72.7 | -175.9 | 0 | 0 | 0 | 110.4 | Y599 V619 Y653 E655 L658 L659 I662 | L592-Y599 HydrophobicContact CD2-CD2 4.13Å; L592-Y599 HydrophobicContact CD2-CE2 4.04Å; L592-V619 HydrophobicContact CD1-CG1 4.21Å; L592-V619 HydrophobicContact CD1-CG2 3.79Å; L592-V619 HydrophobicContact CD2-CG2 4.3Å; L592-V619 HydrophobicContact CG-CG2 4.05Å; L592-Y653 PolarHBondContact O-OH 3.12Å; L592-E655 HydrophobicContact CB-CG 4.37Å; L592-E655 HydrophobicContact CD1-CB 4.25Å; L592-E655 PolarHBondContact N-OE1 3.09Å; L592-L658 HydrophobicContact CD1-CB 4.37Å; L592-L659 HydrophobicContact CD1-CB 3.95Å; L592-I662 HydrophobicContact CD1-CD1 4.27Å; L592-I662 HydrophobicContact CD2-CD1 4.28Å | ||
| 593 | P | 91.4 | Very high | 87.4 | Confident | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.006 | 11% | 0.105 | C | C | . | . | trans | -66 | 152.3 | 177.3 | 26 | -30 | 0 | 0 | 0 | 111.6 | E595 N598 Y653 | P593-E595 PolarHBondContact O-N 2.83Å; P593-N598 HydrophobicContact CB-CB 3.62Å; P593-N598 HydrophobicContact CG-CB 4.11Å; P593-Y653 VanDerWaalsContact C-OH 3.26Å; P593-Y653 PolarHBondContact O-OH 2.92Å | ||
| 594 | D | 85.9 | Confident | 87.8 | Confident | 78 Ų | 78 | 19.5 Ų | 19.5 | 42% | 0.417 | 11% | 0.106 | S | C | . | . | S | Bend | trans | -67.7 | -18.4 | 178.1 | -50.7 | -88 | 0 | 0 | 0 | 112.1 | R514 Y653 | R514-D594 IonicContact CZ-OD1 2.69Å; R514-D594 IonicContact NE-OD1 3.62Å; R514-D594 PolarHBondContact NE-OD1 3.4Å; R514-D594 IonicContact NE-OD2 3.05Å; R514-D594 IonicContact NH2-OD1 2.67Å; R514-D594 PolarHBondContact NH2-OD1 2.82Å; D594-Y653 WeakPolarHBondContact CA-OH 3.26Å; D594-Y653 PolarHBondContact N-OH 3.23Å; D594-Y653 WeakPolarHBondContact OD1-CE2 3.27Å; D594-Y653 PolarHBondContact OD1-OH 3.03Å |
| 595 | E | 82.3 | Confident | 87.6 | Confident | 79 Ų | 79 | 20.2 Ų | 20.2 | 37% | 0.369 | 11% | 0.108 | S | C | . | . | S | Bend | trans | -126.1 | 134.9 | 179.2 | -60.8 | 168.2 | 169.6 | 0 | 0 | 110.5 | R577 P593 Q597 N598 | R577-E595 IonicContact NH2-OE2 2.75Å; P593-E595 PolarHBondContact O-N 2.83Å; E595-Q597 VanDerWaalsContact C-N 3.31Å; E595-Q597 PolarHBondContact O-N 2.98Å; E595-N598 WeakPolarHBondContact O-CB 3.34Å; E595-N598 PolarHBondContact O-N 3.44Å; E595-N598 VanDerWaalsContact O-N 3.09Å; E595-N598 PolarHBondContact OE2-ND2 3.31Å |
| 596 | K | 83 | Confident | 87.1 | Confident | 61 Ų | 61 | 19.5 Ų | 19.5 | 27% | 0.265 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -60.1 | -32.3 | -179 | 64.6 | -164.3 | -167 | 161.3 | 0 | 114.6 | N598 Y599 I662 H665 | K596-N598 VanDerWaalsContact C-N 3.28Å; K596-N598 PolarHBondContact O-N 2.76Å; K596-Y599 VanDerWaalsContact O-CB 3.22Å; K596-Y599 WeakPolarHBondContact O-CB 3.35Å; K596-Y599 PolarHBondContact O-N 3.45Å; K596-Y599 VanDerWaalsContact O-N 3.12Å; K596-I662 HydrophobicContact CB-CG1 3.92Å; K596-H665 HydrophobicContact CD-CB 3.83Å; K596-H665 WeakPolarHBondContact CE-ND1 2.92Å; K596-H665 HydrophobicContact CG-CB 4.34Å |
| 597 | Q | 77.3 | Confident | 85.7 | Confident | 47 Ų | 47 | 19.4 Ų | 19.4 | 22% | 0.22 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64.4 | -34.7 | 176.8 | -65 | 81.6 | 1.7 | 0 | 0 | 111.8 | E595 Y599 V600 H601 | E595-Q597 VanDerWaalsContact C-N 3.31Å; E595-Q597 PolarHBondContact O-N 2.98Å; Q597-Y599 PolarHBondContact O-N 3.47Å; Q597-V600 PolarHBondContact O-N 2.94Å; Q597-H601 PolarHBondContact O-N 3.32Å |
| 598 | N | 81.7 | Confident | 84 | Confident | 12 Ų | 12 | 25 Ų | 25 | 6% | 0.064 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -66.4 | -27.8 | 177.4 | -67.7 | -35.1 | 0 | 0 | 0 | 111.6 | R577 P593 E595 K596 V600 H601 R602 | R577-N598 PolarHBondContact NH2-ND2 2.96Å; R577-N598 PolarHBondContact NH2-OD1 3.42Å; P593-N598 HydrophobicContact CB-CB 3.62Å; P593-N598 HydrophobicContact CG-CB 4.11Å; E595-N598 WeakPolarHBondContact O-CB 3.34Å; E595-N598 PolarHBondContact O-N 3.44Å; E595-N598 VanDerWaalsContact O-N 3.09Å; E595-N598 PolarHBondContact OE2-ND2 3.31Å; K596-N598 VanDerWaalsContact C-N 3.28Å; K596-N598 PolarHBondContact O-N 2.76Å; N598-V600 VanDerWaalsContact C-N 3.34Å; N598-V600 PolarHBondContact O-N 3.13Å; N598-H601 PolarHBondContact O-N 2.89Å; N598-R602 VanDerWaalsContact O-CG 3.23Å; N598-R602 WeakPolarHBondContact O-CG 3.17Å; N598-R602 PolarHBondContact O-N 2.82Å |
| 599 | Y | 88.6 | Confident | 81.6 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.8 | -48.9 | 174.9 | -176.7 | -101.6 | 0 | 0 | 0 | 111.1 | H443 L592 K596 Q597 H601 R602 I603 S617 I662 L666 I670 | H443-Y599 AromaticContact ND1-CE1 3.84Å; L592-Y599 HydrophobicContact CD2-CD2 4.13Å; L592-Y599 HydrophobicContact CD2-CE2 4.04Å; K596-Y599 VanDerWaalsContact O-CB 3.22Å; K596-Y599 WeakPolarHBondContact O-CB 3.35Å; K596-Y599 PolarHBondContact O-N 3.45Å; K596-Y599 VanDerWaalsContact O-N 3.12Å; Q597-Y599 PolarHBondContact O-N 3.47Å; Y599-H601 VanDerWaalsContact C-N 3.32Å; Y599-H601 PolarHBondContact O-N 3.43Å; Y599-R602 PolarHBondContact O-N 3.3Å; Y599-I603 HydrophobicContact CD1-CD1 4.13Å; Y599-I603 HydrophobicContact CE1-CD1 3.77Å; Y599-I603 HydrophobicContact CE1-CG2 4.23Å; Y599-I603 HydrophobicContact CE2-CG2 4.28Å; Y599-I603 PolarHBondContact O-N 3Å; Y599-S617 WeakPolarHBondContact CE2-OG 3.37Å; Y599-S617 PolarHBondContact OH-OG 3.35Å; Y599-I662 HydrophobicContact CD1-CG2 3.42Å; Y599-I662 VanDerWaalsContact CD1-CG2 3.42Å; Y599-I662 HydrophobicContact CD2-CD1 3.84Å; Y599-I662 HydrophobicContact CD2-CG2 4.42Å; Y599-I662 HydrophobicContact CE1-CG2 3.71Å; Y599-I662 HydrophobicContact CG-CD1 3.86Å; Y599-I662 HydrophobicContact CG-CG1 4.24Å; Y599-I662 HydrophobicContact CG-CG2 3.81Å; Y599-L666 HydrophobicContact CD1-CD1 4.19Å; Y599-L666 HydrophobicContact CE1-CD1 4Å; Y599-I670 HydrophobicContact CE1-CD1 3.93Å |
| 600 | V | 81.8 | Confident | 79.6 | Confident | 8 Ų | 8 | 36.3 Ų | 36.3 | 5% | 0.048 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.6 | -41.5 | 177.4 | -175.6 | 0 | 0 | 0 | 0 | 110.7 | D435 Q597 N598 R602 G604 L666 | D435-V600 HydrophobicContact CB-CG1 4.32Å; D435-V600 HydrophobicContact CB-CG2 4.21Å; Q597-V600 PolarHBondContact O-N 2.94Å; N598-V600 VanDerWaalsContact C-N 3.34Å; N598-V600 PolarHBondContact O-N 3.13Å; V600-R602 VanDerWaalsContact C-N 3.34Å; V600-R602 PolarHBondContact O-N 2.94Å; V600-G604 PolarHBondContact O-N 3.45Å; V600-L666 HydrophobicContact CG2-CD2 3.88Å |
| 601 | H | 79.3 | Confident | 78 | Confident | 31 Ų | 31 | 40.9 Ų | 40.9 | 14% | 0.144 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.1 | -32.3 | 176.3 | -66.3 | 164.3 | 0 | 0 | 0 | 114.5 | D373 A408 Q597 N598 Y599 R605 | D373-H601 IonicContact OD2-CE1 3.41Å; A408-H601 WeakPolarHBondContact CB-NE2 3.38Å; Q597-H601 PolarHBondContact O-N 3.32Å; N598-H601 PolarHBondContact O-N 2.89Å; Y599-H601 VanDerWaalsContact C-N 3.32Å; Y599-H601 PolarHBondContact O-N 3.43Å; H601-R605 PolarHBondContact O-NE 3.22Å |
| 602 | R | 87.2 | Confident | 77 | Confident | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.008 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -72.2 | -50.5 | 176.6 | -71.8 | -178.5 | -175.9 | -168.4 | 3.1 | 111.1 | F512 D573 N589 T591 N598 Y599 V600 G604 R605 | F512-R602 HydrophobicContact CD1-CG 3.76Å; F512-R602 HydrophobicContact CD2-CB 3.87Å; F512-R602 HydrophobicContact CD2-CG 3.8Å; F512-R602 HydrophobicContact CE1-CB 4.49Å; F512-R602 HydrophobicContact CE1-CG 3.74Å; F512-R602 HydrophobicContact CE2-CB 3.68Å; F512-R602 HydrophobicContact CE2-CG 3.79Å; F512-R602 HydrophobicContact CG-CB 4.37Å; F512-R602 HydrophobicContact CG-CG 3.79Å; F512-R602 HydrophobicContact CZ-CB 4.03Å; F512-R602 HydrophobicContact CZ-CG 3.77Å; D573-R602 IonicContact OD1-CZ 2.91Å; D573-R602 IonicContact OD1-NE 3.24Å; D573-R602 PolarHBondContact OD1-NE 2.7Å; D573-R602 IonicContact OD1-NH2 3.3Å; D573-R602 PolarHBondContact OD1-NH2 3.1Å; D573-R602 IonicContact OD2-CZ 3.25Å; D573-R602 IonicContact OD2-NE 3.78Å; D573-R602 IonicContact OD2-NH2 3.54Å; D573-R602 PolarHBondContact OD2-NH2 3.35Å; N589-R602 WeakPolarHBondContact OD1-CD 3.42Å; T591-R602 PolarHBondContact O-NH1 3.49Å; N598-R602 VanDerWaalsContact O-CG 3.23Å; N598-R602 WeakPolarHBondContact O-CG 3.17Å; N598-R602 PolarHBondContact O-N 2.82Å; Y599-R602 PolarHBondContact O-N 3.3Å; V600-R602 VanDerWaalsContact C-N 3.34Å; V600-R602 PolarHBondContact O-N 2.94Å; R602-G604 VanDerWaalsContact C-N 3.32Å; R602-G604 PolarHBondContact O-N 3.45Å; R602-R605 WeakPolarHBondContact O-CB 3.35Å; R602-R605 VanDerWaalsContact O-CG 3.27Å; R602-R605 WeakPolarHBondContact O-CG 3.01Å; R602-R605 PolarHBondContact O-N 3.41Å |
| 603 | I | 86.1 | Confident | 76.5 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -72.5 | -27.3 | -178.3 | 71.5 | 178 | 0 | 0 | 0 | 111.8 | V437 V441 Y599 R605 V606 A615 | V437-I603 HydrophobicContact CB-CD1 4.38Å; V437-I603 HydrophobicContact CG1-CD1 3.82Å; V437-I603 HydrophobicContact CG2-CD1 3.76Å; V441-I603 HydrophobicContact CG1-CB 4.23Å; V441-I603 HydrophobicContact CG1-CD1 4.46Å; V441-I603 HydrophobicContact CG1-CG1 4.48Å; Y599-I603 HydrophobicContact CD1-CD1 4.13Å; Y599-I603 HydrophobicContact CE1-CD1 3.77Å; Y599-I603 HydrophobicContact CE1-CG2 4.23Å; Y599-I603 HydrophobicContact CE2-CG2 4.28Å; Y599-I603 PolarHBondContact O-N 3Å; I603-R605 PolarHBondContact O-N 3.42Å; I603-V606 WeakPolarHBondContact O-CG2 3.25Å; I603-V606 PolarHBondContact O-N 3.42Å; I603-A615 HydrophobicContact CB-CB 3.93Å; I603-A615 HydrophobicContact CG2-CB 3.6Å |
| 604 | G | 77.4 | Confident | 76.5 | Confident | 34 Ų | 34 | 43.3 Ų | 43.3 | 35% | 0.351 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -2.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | V600 R602 V606 | V600-G604 PolarHBondContact O-N 3.45Å; R602-G604 VanDerWaalsContact C-N 3.32Å; R602-G604 PolarHBondContact O-N 3.45Å; G604-V606 VanDerWaalsContact C-N 3.31Å |
| 605 | R | 80.4 | Confident | 76.8 | Confident | 18 Ų | 18 | 39.6 Ų | 39.6 | 7% | 0.068 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -18.1 | 168.7 | -54.5 | -64 | 160.9 | 175.1 | -5.2 | 112.6 | I510 F512 A576 I579 G583 V584 V587 H601 R602 I603 | I510-R605 HydrophobicContact CD1-CB 3.91Å; I510-R605 HydrophobicContact CD1-CG 4.32Å; F512-R605 HydrophobicContact CZ-CG 4.23Å; A576-R605 PolarHBondContact O-NH2 3.34Å; I579-R605 PolarHBondContact O-NH1 2.87Å; G583-R605 PolarHBondContact N-O 2.92Å; V584-R605 PolarHBondContact N-O 2.98Å; V587-R605 HydrophobicContact CG2-CB 4.08Å; H601-R605 PolarHBondContact O-NE 3.22Å; R602-R605 WeakPolarHBondContact O-CB 3.35Å; R602-R605 VanDerWaalsContact O-CG 3.27Å; R602-R605 WeakPolarHBondContact O-CG 3.01Å; R602-R605 PolarHBondContact O-N 3.41Å; I603-R605 PolarHBondContact O-N 3.42Å |
| 606 | V | 76.6 | Confident | 77.5 | Confident | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.012 | 19% | 0.185 | C | C | . | . | B | Isolated β-bridge | trans | -97.2 | 154.4 | 171.4 | -56.4 | 0 | 0 | 0 | 0 | 111.6 | V441 V584 Y586 V587 I603 G604 A615 | V441-V606 HydrophobicContact CB-CG2 4.29Å; V441-V606 HydrophobicContact CG1-CG2 3.6Å; V441-V606 HydrophobicContact CG2-CG2 3.91Å; V441-V606 WeakPolarHBondContact CG2-O 3.2Å; V584-V606 WeakPolarHBondContact O-CA 3.28Å; V584-V606 VanDerWaalsContact O-CB 3.31Å; V584-V606 WeakPolarHBondContact O-CB 3.39Å; V584-V606 WeakPolarHBondContact O-CG1 3.33Å; Y586-V606 VanDerWaalsContact C-CG1 3.41Å; V587-V606 HydrophobicContact CB-CG1 3.61Å; V587-V606 HydrophobicContact CG2-CG1 3.38Å; I603-V606 WeakPolarHBondContact O-CG2 3.25Å; I603-V606 PolarHBondContact O-N 3.42Å; G604-V606 VanDerWaalsContact C-N 3.31Å; V606-A615 HydrophobicContact CG2-CB 4.3Å |
| 607 | G | 63.2 | Low | 78.2 | Confident | 12 Ų | 12 | 33 Ų | 33 | 12% | 0.124 | 17% | 0.172 | C | C | . | . | trans | 80.5 | 124 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 608 | R | 59.9 | Low | 79.1 | Confident | 116 Ų | 116 | 30.7 Ų | 30.7 | 44% | 0.438 | 16% | 0.162 | S | C | . | . | B | Isolated β-bridge | trans | -167.2 | 150.8 | 164.2 | -110.5 | -168.6 | -176.7 | -140.5 | 3.3 | 109.2 | S582 E610 R611 | S582-R608 PolarHBondContact OG-NE 3.01Å; R608-E610 PolarHBondContact O-N 3.3Å; R608-R611 PolarHBondContact O-N 2.81Å |
| 609 | A | 47.4 | Very low | 79.9 | Confident | 84 Ų | 84 | 30.1 Ų | 30.1 | 69% | 0.694 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.7 | 63.5 | 166.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | R611 | A609-R611 VanDerWaalsContact C-N 3.32Å; A609-R611 PolarHBondContact O-N 2.89Å |
| 610 | E | 54.7 | Low | 80.3 | Confident | 154 Ų | 154 | 30.2 Ų | 30.2 | 72% | 0.72 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.1 | 17.1 | 173.6 | -47.5 | 176.5 | 156.8 | 0 | 0 | 115.9 | R608 | R608-E610 PolarHBondContact O-N 3.3Š|
| 611 | R | 63.5 | Low | 80.9 | Confident | 106 Ų | 106 | 31.2 Ų | 31.2 | 40% | 0.4 | 16% | 0.164 | S | C | . | . | B | Isolated β-bridge | trans | -117.2 | 127.7 | 177.8 | -61.2 | -173.7 | -173 | -171 | 4.7 | 112.2 | R608 A609 G691 R693 | R608-R611 PolarHBondContact O-N 2.81Å; A609-R611 VanDerWaalsContact C-N 3.32Å; A609-R611 PolarHBondContact O-N 2.89Å; R611-G691 PolarHBondContact NH1-O 2.7Å; R611-R693 HydrophobicContact CG-CG 4.48Å |
| 612 | M | 74.1 | Confident | 81.7 | Confident | 65 Ų | 65 | 32.4 Ų | 32.4 | 32% | 0.32 | 17% | 0.17 | S | C | . | . | trans | -68.4 | 129.1 | 172.5 | -66.6 | -61.1 | -70 | 0 | 0 | 110.8 | T440 H442 V688 Y690 G691 | T440-M612 WeakPolarHBondContact O-CA 3.48Å; H442-M612 HydrophobicContact CB-CE 4.33Å; M612-V688 HydrophobicContact CB-CG1 3.81Å; M612-V688 HydrophobicContact CG-CG1 3.82Å; M612-Y690 HydrophobicContact CB-CD1 4.07Å; M612-Y690 HydrophobicContact CB-CE1 4.4Å; M612-G691 PolarHBondContact O-N 3.27Å | ||
| 613 | G | 85.1 | Confident | 82.1 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 151.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | T440 H442 P585 | T440-G613 PolarHBondContact O-N 3.43Å; H442-G613 PolarHBondContact N-O 2.96Å; P585-G613 WeakPolarHBondContact O-CA 3.49Å |
| 614 | L | 90.1 | Very high | 82.6 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 123.4 | 177.8 | 176.3 | 64.9 | 0 | 0 | 0 | 111 | H442 V444 P585 Y586 V587 I616 V679 Y690 | H442-L614 HydrophobicContact CB-CD1 4.37Å; H442-L614 CarbonylContact O-C 3.33Å; H442-L614 VanDerWaalsContact O-CA 3.31Å; H442-L614 WeakPolarHBondContact O-CA 3.47Å; V444-L614 HydrophobicContact CG2-CD1 4.36Å; P585-L614 PolarHBondContact O-N 3.33Å; Y586-L614 CarbonylContact C-O 3.58Å; Y586-L614 VanDerWaalsContact CA-O 3.31Å; Y586-L614 WeakPolarHBondContact CA-O 3.32Å; Y586-L614 HydrophobicContact CD1-CB 3.92Å; Y586-L614 HydrophobicContact CD1-CD2 4.26Å; Y586-L614 HydrophobicContact CE1-CB 4.21Å; Y586-L614 HydrophobicContact CE1-CD2 4.28Å; V587-L614 PolarHBondContact N-O 3.3Å; L614-I616 HydrophobicContact CD1-CG1 4.37Å; L614-I616 HydrophobicContact CD2-CD1 4Å; L614-I616 HydrophobicContact CD2-CG1 4.16Å; L614-I616 HydrophobicContact CG-CD1 4.36Å; L614-I616 HydrophobicContact CG-CG1 3.99Å; L614-V679 HydrophobicContact CD1-CG1 4.25Å; L614-V679 HydrophobicContact CD1-CG2 4.28Å; L614-V679 HydrophobicContact CD2-CG2 4.25Å; L614-Y690 HydrophobicContact CB-CD1 3.81Å; L614-Y690 HydrophobicContact CB-CD2 4.28Å; L614-Y690 HydrophobicContact CB-CE1 3.97Å; L614-Y690 HydrophobicContact CB-CE2 4.43Å; L614-Y690 HydrophobicContact CB-CG 3.99Å; L614-Y690 HydrophobicContact CD2-CD2 4.15Å; L614-Y690 HydrophobicContact CD2-CE2 4.02Å |
| 615 | A | 93.1 | Very high | 83.5 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 119.8 | 173 | 0 | 0 | 0 | 0 | 0 | 110.7 | V441 H442 H443 V444 V587 I603 V606 | V441-A615 HydrophobicContact CG1-CB 4.48Å; H442-A615 PolarHBondContact O-N 3.44Å; H443-A615 CarbonylContact C-O 3.57Å; H443-A615 VanDerWaalsContact CA-O 3.29Å; H443-A615 WeakPolarHBondContact CA-O 3.31Å; H443-A615 HydrophobicContact CB-CB 4.01Å; V444-A615 PolarHBondContact N-O 3.23Å; V587-A615 HydrophobicContact CB-CB 4.36Å; V587-A615 HydrophobicContact CG1-CB 4.43Å; V587-A615 CarbonylContact O-C 3.56Å; V587-A615 WeakPolarHBondContact O-CA 3.32Å; I603-A615 HydrophobicContact CB-CB 3.93Å; I603-A615 HydrophobicContact CG2-CB 3.6Å; V606-A615 HydrophobicContact CG2-CB 4.3Å |
| 616 | I | 96.1 | Very high | 84.2 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 122.8 | 179.9 | -59 | 173.4 | 0 | 0 | 0 | 109 | V444 V446 A500 M506 V587 I588 N589 L614 L618 I677 | V444-I616 HydrophobicContact CG2-CB 4.34Å; V444-I616 HydrophobicContact CG2-CG1 3.91Å; V444-I616 HydrophobicContact CG2-CG2 4.39Å; V446-I616 HydrophobicContact CG2-CG2 3.82Å; A500-I616 HydrophobicContact CB-CD1 3.99Å; M506-I616 HydrophobicContact CE-CD1 3.8Å; V587-I616 PolarHBondContact O-N 3.3Å; I588-I616 CarbonylContact C-O 3.54Å; I588-I616 WeakPolarHBondContact CA-O 3.23Å; N589-I616 PolarHBondContact N-O 2.76Å; L614-I616 HydrophobicContact CD1-CG1 4.37Å; L614-I616 HydrophobicContact CD2-CD1 4Å; L614-I616 HydrophobicContact CD2-CG1 4.16Å; L614-I616 HydrophobicContact CG-CD1 4.36Å; L614-I616 HydrophobicContact CG-CG1 3.99Å; I616-L618 HydrophobicContact CG2-CD2 4.2Å; I616-I677 HydrophobicContact CD1-CG2 4.02Å; I616-I677 HydrophobicContact CG2-CG2 4.4Å |
| 617 | S | 97.7 | Very high | 84.9 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 118.8 | 179.3 | -59.1 | 0 | 0 | 0 | 0 | 111.4 | V444 V445 V446 N589 Y599 | V444-S617 PolarHBondContact O-N 3.29Å; V445-S617 CarbonylContact C-O 3.49Å; V445-S617 WeakPolarHBondContact CA-O 3.45Å; V446-S617 PolarHBondContact N-O 3.32Å; N589-S617 PolarHBondContact ND2-OG 2.78Å; Y599-S617 WeakPolarHBondContact CE2-OG 3.37Å; Y599-S617 PolarHBondContact OH-OG 3.35Å |
| 618 | L | 97.9 | Very high | 86.2 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 116.6 | 177.1 | -52.9 | -174.2 | 0 | 0 | 0 | 109.1 | V446 V448 K493 Y496 N589 I616 | V446-L618 HydrophobicContact CB-CD2 3.92Å; V446-L618 HydrophobicContact CG1-CD2 4.43Å; V446-L618 HydrophobicContact CG2-CD2 4.36Å; V448-L618 HydrophobicContact CG2-CB 3.95Å; K493-L618 HydrophobicContact CB-CD1 4.33Å; K493-L618 HydrophobicContact CG-CB 4.37Å; K493-L618 HydrophobicContact CG-CD1 4.38Å; K493-L618 WeakPolarHBondContact O-CD1 3.4Å; Y496-L618 HydrophobicContact CD2-CD2 4.32Å; N589-L618 PolarHBondContact O-N 2.91Å; I616-L618 HydrophobicContact CG2-CD2 4.2Å |
| 619 | V | 97.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 118 | -172.9 | -176.8 | 0 | 0 | 0 | 0 | 110.7 | V445 V446 V448 L592 M621 E655 L659 | V445-V619 HydrophobicContact CB-CG2 4.39Å; V445-V619 HydrophobicContact CG1-CB 3.92Å; V445-V619 HydrophobicContact CG1-CG2 3.52Å; V445-V619 HydrophobicContact CG2-CG2 4.1Å; V446-V619 PolarHBondContact O-N 2.96Å; V448-V619 PolarHBondContact N-O 3.16Å; L592-V619 HydrophobicContact CD1-CG1 4.21Å; L592-V619 HydrophobicContact CD1-CG2 3.79Å; L592-V619 HydrophobicContact CD2-CG2 4.3Å; L592-V619 HydrophobicContact CG-CG2 4.05Å; V619-M621 HydrophobicContact CB-CE 3.92Å; V619-M621 HydrophobicContact CG1-CE 3.62Å; V619-M621 WeakPolarHBondContact O-CE 3.41Å; V619-M621 PolarHBondContact O-N 2.76Å; V619-E655 HydrophobicContact CG1-CB 3.96Å; V619-L659 HydrophobicContact CG1-CB 4.36Å; V619-L659 HydrophobicContact CG1-CD2 4.15Å; V619-L659 HydrophobicContact CG2-CD2 4.39Å |
| 620 | A | 97.1 | Very high | 89.2 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.008 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 126.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | I489 E622 E624 E655 | I489-A620 HydrophobicContact CD1-CB 4.08Å; I489-A620 HydrophobicContact CG2-CB 3.76Å; A620-E622 WeakPolarHBondContact CB-O 3.39Å; A620-E624 HydrophobicContact CB-CG 4.03Å; A620-E624 VanDerWaalsContact CB-OE2 3.31Å; A620-E624 WeakPolarHBondContact CB-OE2 3.42Å; A620-E655 HydrophobicContact CB-CB 4.24Å; A620-E655 HydrophobicContact CB-CG 4.35Å; A620-E655 VanDerWaalsContact CB-OE2 3.24Å; A620-E655 WeakPolarHBondContact CB-OE2 3.48Å; A620-E655 PolarHBondContact N-OE2 2.89Å |
| 621 | M | 95.4 | Very high | 90.6 | Very high | 29 Ų | 29 | 33.1 Ų | 33.1 | 14% | 0.143 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -86.7 | -8.9 | 179 | -64.5 | -66.1 | 112.6 | 0 | 0 | 113.6 | P447 V448 N449 V619 K656 | P447-M621 HydrophobicContact CB-CE 3.69Å; P447-M621 HydrophobicContact CB-CG 3.83Å; P447-M621 HydrophobicContact CB-SD 3.78Å; V448-M621 PolarHBondContact O-N 2.88Å; N449-M621 HydrophobicContact CB-CB 3.95Å; N449-M621 HydrophobicContact CB-CG 3.92Å; V619-M621 HydrophobicContact CB-CE 3.92Å; V619-M621 HydrophobicContact CG1-CE 3.62Å; V619-M621 WeakPolarHBondContact O-CE 3.41Å; V619-M621 PolarHBondContact O-N 2.76Å; M621-K656 HydrophobicContact CE-CG 4.35Å; M621-K656 WeakPolarHBondContact O-CE 3.26Å; M621-K656 PolarHBondContact O-NZ 2.88Å; M621-K656 WeakPolarHBondContact SD-CE 3.17Å |
| 622 | E | 95.7 | Very high | 91.4 | Very high | 57 Ų | 57 | 37.3 Ų | 37.3 | 27% | 0.266 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -124.9 | 159.6 | 169.9 | -56.8 | -69.8 | 148.9 | 0 | 0 | 108.7 | P450 K451 W485 I489 A620 E624 | P450-E622 HydrophobicContact CG-CG 4.24Å; K451-E622 WeakPolarHBondContact CE-OE1 3.26Å; K451-E622 IonicContact NZ-OE1 3.72Å; K451-E622 PolarHBondContact NZ-OE1 3.38Å; K451-E622 IonicContact NZ-OE2 2.59Å; K451-E622 PolarHBondContact NZ-OE2 2.98Å; W485-E622 HydrophobicContact CB-CB 4.47Å; I489-E622 HydrophobicContact CD1-CB 3.77Å; I489-E622 WeakPolarHBondContact CD1-O 3.4Å; A620-E622 WeakPolarHBondContact CB-O 3.39Å; E622-E624 PolarHBondContact O-N 3.21Å |
| 623 | K | 95.9 | Very high | 91.6 | Very high | 113 Ų | 113 | 39.7 Ų | 39.7 | 49% | 0.491 | 19% | 0.192 | S | C | . | . | P | Polyproline II helix | trans | -65.1 | 136.7 | 178.7 | -63.4 | -174 | -179.7 | -172.9 | 0 | 110.4 | W652 Y653 N654 | K623-W652 HydrophobicContact CB-CB 4.35Å; K623-W652 HydrophobicContact CB-CD2 4.42Å; K623-W652 HydrophobicContact CB-CE3 3.76Å; K623-W652 HydrophobicContact CB-CZ3 4.49Å; K623-W652 HydrophobicContact CD-CB 4.13Å; K623-W652 WeakPolarHBondContact O-CZ3 3.29Å; K623-Y653 WeakPolarHBondContact CA-O 3.05Å; K623-N654 HydrophobicContact CG-CB 4.36Å |
| 624 | E | 95.9 | Very high | 91.2 | Very high | 5 Ų | 5 | 50.2 Ų | 50.2 | 2% | 0.023 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 133.5 | 174.4 | -71.8 | -178.9 | 88.5 | 0 | 0 | 110.4 | S486 I489 K493 A620 E622 V626 W652 Y653 | S486-E624 WeakPolarHBondContact OG-CA 3.24Å; I489-E624 HydrophobicContact CB-CG 4.13Å; I489-E624 HydrophobicContact CD1-CG 4.13Å; I489-E624 HydrophobicContact CG2-CG 3.74Å; I489-E624 WeakPolarHBondContact CG2-OE1 3.4Å; K493-E624 IonicContact NZ-OE1 2.76Å; K493-E624 IonicContact NZ-OE2 3.7Å; K493-E624 PolarHBondContact NZ-OE2 3.39Å; A620-E624 HydrophobicContact CB-CG 4.03Å; A620-E624 VanDerWaalsContact CB-OE2 3.31Å; A620-E624 WeakPolarHBondContact CB-OE2 3.42Å; E622-E624 PolarHBondContact O-N 3.21Å; E624-V626 HydrophobicContact CB-CG1 4.05Å; E624-V626 PolarHBondContact O-N 2.82Å; E624-W652 CarbonylContact O-C 3.56Å; E624-Y653 PolarHBondContact N-O 3.49Å; E624-Y653 WeakPolarHBondContact O-CB 3.39Å; E624-Y653 PolarHBondContact O-N 3.12Å |
| 625 | K | 96.2 | Very high | 90.7 | Very high | 11 Ų | 11 | 51 Ų | 51 | 5% | 0.048 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 123.2 | 167.9 | -164 | 175.7 | 175.2 | -177.4 | 0 | 107.7 | V469 H470 D473 E483 S486 K490 T641 I651 W652 | V469-K625 WeakPolarHBondContact CG1-O 3.3Å; V469-K625 HydrophobicContact CG2-CG 4.22Å; H470-K625 VanDerWaalsContact CE1-CB 3.45Å; H470-K625 WeakPolarHBondContact CE1-CB 3.48Å; D473-K625 IonicContact OD1-NZ 3.34Å; D473-K625 PolarHBondContact OD1-NZ 3.01Å; D473-K625 IonicContact OD2-NZ 3.42Å; D473-K625 PolarHBondContact OD2-NZ 2.73Å; E483-K625 HydrophobicContact CG-CD 4.29Å; S486-K625 PolarHBondContact OG-N 2.97Å; K490-K625 VanDerWaalsContact CE-O 3.31Å; K490-K625 WeakPolarHBondContact CE-O 3.34Å; K490-K625 PolarHBondContact NZ-O 2.96Å; K490-K625 VanDerWaalsContact NZ-O 3.14Å; K625-T641 WeakPolarHBondContact CE-O 3.2Å; K625-T641 PolarHBondContact NZ-O 2.92Å; K625-I651 WeakPolarHBondContact CA-O 3.3Å; K625-W652 HydrophobicContact CB-CE3 4.03Å; K625-W652 HydrophobicContact CB-CH2 3.95Å; K625-W652 HydrophobicContact CB-CZ2 4.48Å; K625-W652 HydrophobicContact CB-CZ3 3.72Å; K625-W652 HydrophobicContact CD-CH2 4.41Å; K625-W652 HydrophobicContact CD-CZ2 4.42Å |
| 626 | V | 94.6 | Very high | 90.1 | Very high | 7 Ų | 7 | 61.3 Ų | 61.3 | 4% | 0.042 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 156 | -176.4 | -56.6 | 0 | 0 | 0 | 0 | 111.3 | E624 T650 I651 Y653 | E624-V626 HydrophobicContact CB-CG1 4.05Å; E624-V626 PolarHBondContact O-N 2.82Å; V626-T650 CarbonylContact O-C 3.59Å; V626-T650 WeakPolarHBondContact O-CA 3.35Å; V626-T650 VanDerWaalsContact O-CB 3.27Å; V626-T650 WeakPolarHBondContact O-CB 3.19Å; V626-I651 HydrophobicContact CG2-CD1 4.3Å; V626-I651 HydrophobicContact CG2-CG1 3.66Å; V626-I651 PolarHBondContact N-O 3.31Å; V626-I651 PolarHBondContact O-N 3.08Å; V626-Y653 HydrophobicContact CG1-CG 4.39Å; V626-Y653 HydrophobicContact CG2-CD2 4.27Å; V626-Y653 HydrophobicContact CG2-CG 4.17Å |
| 627 | W | 92.5 | Very high | 89.4 | Confident | 20 Ų | 20 | 64.1 Ų | 64.1 | 8% | 0.076 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 135.5 | 171.4 | -66.7 | 111.3 | 0 | 0 | 0 | 111.9 | D467 V469 R514 H629 N640 T641 C649 T650 | D467-W627 PolarHBondContact O-NE1 2.64Å; V469-W627 HydrophobicContact CB-CZ2 4.27Å; V469-W627 HydrophobicContact CG2-CD2 4.18Å; V469-W627 HydrophobicContact CG2-CZ2 4.26Å; R514-W627 PolarHBondContact NH1-O 2.81Å; W627-H629 AromaticContact CD2-CE1 3.75Å; W627-H629 AromaticContact CE3-CE1 3.45Å; W627-H629 VanDerWaalsContact CE3-CE1 3.45Å; W627-H629 AromaticContact CE3-ND1 3.92Å; W627-H629 AromaticContact CG-NE2 4Å; W627-N640 WeakPolarHBondContact CZ3-O 3.34Å; W627-T641 HydrophobicContact CH2-CG2 3.52Å; W627-T641 HydrophobicContact CZ2-CG2 3.93Å; W627-T641 HydrophobicContact CZ3-CG2 4.44Å; W627-C649 HydrophobicContact CE3-CB 4.24Å; W627-C649 HydrophobicContact CZ3-CB 4.15Å; W627-T650 HydrophobicContact CD2-CG2 4.32Å; W627-T650 HydrophobicContact CE3-CG2 3.73Å; W627-T650 HydrophobicContact CZ3-CG2 3.86Å |
| 628 | Y | 89.2 | Confident | 88.9 | Confident | 112 Ų | 112 | 65.4 Ų | 65.4 | 44% | 0.439 | 32% | 0.317 | S | S | . | . | trans | -126.7 | -23.8 | 176.1 | -176.9 | -98.8 | 0 | 0 | 0 | 112.9 | V630 K644 C649 I651 | Y628-V630 HydrophobicContact CD1-CG1 3.88Å; Y628-V630 HydrophobicContact CE1-CG1 3.86Å; Y628-K644 HydrophobicContact CD1-CD 3.91Å; Y628-K644 HydrophobicContact CE1-CD 3.74Å; Y628-C649 PolarHBondContact N-O 3.5Å; Y628-I651 HydrophobicContact CD1-CG2 4.22Å; Y628-I651 HydrophobicContact CD2-CD1 3.64Å; Y628-I651 HydrophobicContact CD2-CG1 4.37Å; Y628-I651 HydrophobicContact CD2-CG2 4.25Å; Y628-I651 HydrophobicContact CE2-CD1 4.34Å; Y628-I651 HydrophobicContact CG-CD1 4.19Å; Y628-I651 HydrophobicContact CG-CG1 4.46Å; Y628-I651 HydrophobicContact CG-CG2 3.82Å | ||
| 629 | H | 86.8 | Confident | 88.5 | Confident | 55 Ų | 55 | 73.3 Ų | 73.3 | 26% | 0.255 | 35% | 0.348 | S | S | . | . | trans | 48.2 | 88 | 174.5 | -60.1 | -50.2 | 0 | 0 | 0 | 116 | W627 G635 C649 | W627-H629 AromaticContact CD2-CE1 3.75Å; W627-H629 AromaticContact CE3-CE1 3.45Å; W627-H629 VanDerWaalsContact CE3-CE1 3.45Å; W627-H629 AromaticContact CE3-ND1 3.92Å; W627-H629 AromaticContact CG-NE2 4Å; H629-G635 VanDerWaalsContact CG-CA 3.48Å; H629-G635 WeakPolarHBondContact ND1-CA 3.42Å; H629-C649 PolarHBondContact N-O 2.91Å | ||
| 630 | V | 84.5 | Confident | 88.2 | Confident | 78 Ų | 78 | 75.9 Ų | 75.9 | 47% | 0.473 | 36% | 0.362 | S | S | . | . | trans | -88.7 | -5.3 | 164.5 | -65.8 | 0 | 0 | 0 | 0 | 113.5 | Y628 K644 G648 | Y628-V630 HydrophobicContact CD1-CG1 3.88Å; Y628-V630 HydrophobicContact CE1-CG1 3.86Å; V630-K644 HydrophobicContact CG1-CD 4.05Å; V630-K644 HydrophobicContact CG1-CG 4.02Å; V630-G648 VanDerWaalsContact CG2-O 3.25Å; V630-G648 WeakPolarHBondContact CG2-O 3.48Å | ||
| 631 | C | 83.8 | Confident | 88 | Confident | 36 Ų | 36 | 76.5 Ų | 76.5 | 24% | 0.243 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -66.5 | 149.8 | -178.8 | 61.3 | 0 | 0 | 0 | 0 | 112.6 | N633 R634 G635 | C631-N633 PolarHBondContact O-N 3.06Å; C631-N633 VanDerWaalsContact O-N 3.15Å; C631-R634 PolarHBondContact O-N 3.23Å; C631-G635 PolarHBondContact SG-N 2.87Å |
| 632 | Q | 80.8 | Confident | 88 | Confident | 193 Ų | 193 | 81.9 Ų | 81.9 | 90% | 0.902 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -36.1 | -177.6 | -68.3 | -176.6 | -8.4 | 0 | 0 | 113.6 | R634 | Q632-R634 PolarHBondContact O-N 3.21Š|
| 633 | N | 77.4 | Confident | 87.9 | Confident | 115 Ų | 115 | 80.9 Ų | 80.9 | 62% | 0.615 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | 7.5 | -179.6 | -65.6 | -22.6 | 0 | 0 | 0 | 114 | C631 G635 R636 | C631-N633 PolarHBondContact O-N 3.06Å; C631-N633 VanDerWaalsContact O-N 3.15Å; N633-G635 PolarHBondContact O-N 3.02Å; N633-G635 VanDerWaalsContact O-N 3.14Å; N633-R636 PolarHBondContact O-N 3.06Å; N633-R636 VanDerWaalsContact O-N 3.15Å |
| 634 | R | 78.2 | Confident | 87.7 | Confident | 222 Ų | 222 | 80.1 Ų | 80.1 | 84% | 0.838 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.2 | 44.5 | 177.3 | -59.9 | -172.7 | 179.7 | -168.1 | -0.7 | 113.4 | C631 Q632 | C631-R634 PolarHBondContact O-N 3.23Å; Q632-R634 PolarHBondContact O-N 3.21Å |
| 635 | G | 79.3 | Confident | 87.5 | Confident | 18 Ų | 18 | 88.7 Ų | 88.7 | 19% | 0.186 | 42% | 0.417 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 94.3 | -13.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | H629 C631 N633 G637 C638 | H629-G635 VanDerWaalsContact CG-CA 3.48Å; H629-G635 WeakPolarHBondContact ND1-CA 3.42Å; C631-G635 PolarHBondContact SG-N 2.87Å; N633-G635 PolarHBondContact O-N 3.02Å; N633-G635 VanDerWaalsContact O-N 3.14Å; G635-G637 PolarHBondContact O-N 2.88Å; G635-C638 PolarHBondContact O-N 3.23Å |
| 636 | R | 79.8 | Confident | 87.3 | Confident | 215 Ų | 215 | 92.9 Ų | 92.9 | 81% | 0.811 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | 113.8 | 177.7 | -64.7 | -172.4 | -154.2 | 173.5 | 6.9 | 111 | N633 C638 | N633-R636 PolarHBondContact O-N 3.06Å; N633-R636 VanDerWaalsContact O-N 3.15Å; R636-C638 VanDerWaalsContact C-N 3.28Å; R636-C638 PolarHBondContact O-N 2.63Å |
| 637 | G | 81.8 | Confident | 87.1 | Confident | 60 Ų | 60 | 94.9 Ų | 94.9 | 62% | 0.619 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.7 | 25.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | G635 Y639 | G635-G637 PolarHBondContact O-N 2.88Å; G637-Y639 WeakPolarHBondContact O-CD2 3.44Å; G637-Y639 WeakPolarHBondContact O-CE2 3.4Å |
| 638 | C | 87 | Confident | 87.1 | Confident | 27 Ų | 27 | 94 Ų | 94 | 18% | 0.182 | 46% | 0.459 | C | S | . | . | trans | -84.8 | 129.4 | -178.9 | -172.6 | 0 | 0 | 0 | 0 | 111.7 | G635 R636 | G635-C638 PolarHBondContact O-N 3.23Å; R636-C638 VanDerWaalsContact C-N 3.28Å; R636-C638 PolarHBondContact O-N 2.63Å | ||
| 639 | Y | 89.6 | Confident | 87.3 | Confident | 166 Ų | 166 | 88.8 Ų | 88.8 | 65% | 0.651 | 44% | 0.439 | S | S | * | . | trans | -124.2 | 17.5 | 178.1 | -55.5 | -81.7 | 0 | 0 | 0 | 112.9 | K472 G637 T641 | K472-Y639 PolarHBondContact NZ-O 3.02Å; G637-Y639 WeakPolarHBondContact O-CD2 3.44Å; G637-Y639 WeakPolarHBondContact O-CE2 3.4Å; Y639-T641 PolarHBondContact O-N 2.81Å | ||
| 640 | N | 91.4 | Very high | 87.7 | Confident | 53 Ų | 53 | 86.2 Ų | 86.2 | 28% | 0.283 | 43% | 0.427 | S | S | . | . | trans | -87.9 | 82.5 | -177.8 | -173.5 | 0.5 | 0 | 0 | 0 | 110.6 | W627 R642 G647 C649 | W627-N640 WeakPolarHBondContact CZ3-O 3.34Å; N640-R642 PolarHBondContact O-N 2.86Å; N640-G647 PolarHBondContact ND2-O 2.77Å; N640-G647 VanDerWaalsContact ND2-O 3.09Å; N640-C649 WeakPolarHBondContact O-CB 3.3Å; N640-C649 PolarHBondContact O-N 2.86Å; N640-C649 VanDerWaalsContact O-N 3.11Å | ||
| 641 | T | 93.4 | Very high | 88.2 | Confident | 14 Ų | 14 | 84.3 Ų | 84.3 | 9% | 0.086 | 41% | 0.414 | C | S | . | . | trans | -77.5 | 7.4 | -175.9 | 58.8 | 0 | 0 | 0 | 0 | 114.5 | V469 K625 W627 Y639 T650 | V469-T641 WeakPolarHBondContact O-CB 3.47Å; V469-T641 WeakPolarHBondContact O-CG2 3.37Å; K625-T641 WeakPolarHBondContact CE-O 3.2Å; K625-T641 PolarHBondContact NZ-O 2.92Å; W627-T641 HydrophobicContact CH2-CG2 3.52Å; W627-T641 HydrophobicContact CZ2-CG2 3.93Å; W627-T641 HydrophobicContact CZ3-CG2 4.44Å; Y639-T641 PolarHBondContact O-N 2.81Å; T641-T650 PolarHBondContact O-OG1 2.9Å | ||
| 642 | R | 93.5 | Very high | 88.8 | Confident | 143 Ų | 143 | 86.2 Ų | 86.2 | 54% | 0.54 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -73 | 159.4 | 174.3 | -64.3 | -171.5 | -61.4 | 168.4 | 7.5 | 110.4 | N640 D646 G647 G648 C649 T650 | N640-R642 PolarHBondContact O-N 2.86Å; R642-D646 HydrophobicContact CB-CB 4.49Å; R642-G647 PolarHBondContact NH2-O 2.82Å; R642-G648 CarbonylContact O-C 3.57Å; R642-G648 VanDerWaalsContact O-C 3.32Å; R642-G648 WeakPolarHBondContact O-CA 3.35Å; R642-C649 PolarHBondContact O-N 3.33Å; R642-T650 VanDerWaalsContact C-OG1 3.24Å; R642-T650 PolarHBondContact O-N 3.24Å; R642-T650 PolarHBondContact O-OG1 3.37Å |
| 643 | L | 93.8 | Very high | 89.5 | Confident | 36 Ų | 36 | 77.6 Ų | 77.6 | 19% | 0.188 | 38% | 0.375 | C | S | . | . | B | Isolated β-bridge | trans | -68.4 | 150.4 | 175 | -64.1 | 169 | 0 | 0 | 0 | 111 | E645 D646 G647 G648 T650 W652 | L643-E645 PolarHBondContact O-N 2.88Å; L643-D646 CarbonylContact O-C 3.42Å; L643-D646 WeakPolarHBondContact O-CA 3.31Å; L643-D646 PolarHBondContact O-N 2.87Å; L643-G647 PolarHBondContact O-N 3.02Å; L643-G648 VanDerWaalsContact O-CA 3.22Å; L643-G648 WeakPolarHBondContact O-CA 3.31Å; L643-G648 PolarHBondContact O-N 3.01Å; L643-T650 CarbonylContact C-O 3.53Å; L643-T650 WeakPolarHBondContact CA-O 3.19Å; L643-W652 HydrophobicContact CD2-CG 4.33Å |
| 644 | K | 93.3 | Very high | 90.4 | Very high | 97 Ų | 97 | 73.8 Ų | 73.8 | 42% | 0.422 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -52.7 | -40.8 | 176.7 | 179.7 | -174.7 | 175.8 | -175.4 | 0 | 111.8 | Y628 V630 D646 G647 T650 I651 | Y628-K644 HydrophobicContact CD1-CD 3.91Å; Y628-K644 HydrophobicContact CE1-CD 3.74Å; V630-K644 HydrophobicContact CG1-CD 4.05Å; V630-K644 HydrophobicContact CG1-CG 4.02Å; K644-D646 PolarHBondContact O-N 3.36Å; K644-G647 PolarHBondContact O-N 3.23Å; K644-G647 VanDerWaalsContact O-N 3.11Å; K644-T650 PolarHBondContact N-O 3.39Å; K644-I651 HydrophobicContact CB-CG2 4.11Å; K644-I651 HydrophobicContact CD-CG2 4.49Å |
| 645 | E | 91.7 | Very high | 91.2 | Very high | 184 Ų | 184 | 63.3 Ų | 63.3 | 86% | 0.86 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -60.7 | -28.7 | 177.3 | -64.4 | 171.1 | -158 | 0 | 0 | 112.1 | L643 | L643-E645 PolarHBondContact O-N 2.88Š|
| 646 | D | 92.2 | Very high | 92 | Very high | 100 Ų | 100 | 67 Ų | 67 | 54% | 0.535 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -98.1 | 20.5 | 178.2 | -56.1 | -48.4 | 0 | 0 | 0 | 113.3 | R642 L643 K644 G648 | R642-D646 HydrophobicContact CB-CB 4.49Å; L643-D646 CarbonylContact O-C 3.42Å; L643-D646 WeakPolarHBondContact O-CA 3.31Å; L643-D646 PolarHBondContact O-N 2.87Å; K644-D646 PolarHBondContact O-N 3.36Å; D646-G648 VanDerWaalsContact C-N 3.3Å; D646-G648 PolarHBondContact O-N 2.88Å |
| 647 | G | 89.7 | Confident | 92.7 | Very high | 49 Ų | 49 | 61.9 Ų | 61.9 | 51% | 0.505 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | 29 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | N640 R642 L643 K644 | N640-G647 PolarHBondContact ND2-O 2.77Å; N640-G647 VanDerWaalsContact ND2-O 3.09Å; R642-G647 PolarHBondContact NH2-O 2.82Å; L643-G647 PolarHBondContact O-N 3.02Å; K644-G647 PolarHBondContact O-N 3.23Å; K644-G647 VanDerWaalsContact O-N 3.11Å |
| 648 | G | 92.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -102.5 | -167.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | V630 R642 L643 D646 | V630-G648 VanDerWaalsContact CG2-O 3.25Å; V630-G648 WeakPolarHBondContact CG2-O 3.48Å; R642-G648 CarbonylContact O-C 3.57Å; R642-G648 VanDerWaalsContact O-C 3.32Å; R642-G648 WeakPolarHBondContact O-CA 3.35Å; L643-G648 VanDerWaalsContact O-CA 3.22Å; L643-G648 WeakPolarHBondContact O-CA 3.31Å; L643-G648 PolarHBondContact O-N 3.01Å; D646-G648 VanDerWaalsContact C-N 3.3Å; D646-G648 PolarHBondContact O-N 2.88Å |
| 649 | C | 93.6 | Very high | 93.7 | Very high | 4 Ų | 4 | 59.3 Ų | 59.3 | 3% | 0.027 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -123.5 | 16.1 | -178.7 | -78.1 | 0 | 0 | 0 | 0 | 114.1 | W627 Y628 H629 N640 R642 | W627-C649 HydrophobicContact CE3-CB 4.24Å; W627-C649 HydrophobicContact CZ3-CB 4.15Å; Y628-C649 PolarHBondContact N-O 3.5Å; H629-C649 PolarHBondContact N-O 2.91Å; N640-C649 WeakPolarHBondContact O-CB 3.3Å; N640-C649 PolarHBondContact O-N 2.86Å; N640-C649 VanDerWaalsContact O-N 3.11Å; R642-C649 PolarHBondContact O-N 3.33Å |
| 650 | T | 94.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 161.6 | 177.5 | 69.7 | 0 | 0 | 0 | 0 | 112 | V469 V626 W627 T641 R642 L643 K644 | V469-T650 HydrophobicContact CG2-CG2 3.42Å; V469-T650 VanDerWaalsContact CG2-CG2 3.42Å; V626-T650 CarbonylContact O-C 3.59Å; V626-T650 WeakPolarHBondContact O-CA 3.35Å; V626-T650 VanDerWaalsContact O-CB 3.27Å; V626-T650 WeakPolarHBondContact O-CB 3.19Å; W627-T650 HydrophobicContact CD2-CG2 4.32Å; W627-T650 HydrophobicContact CE3-CG2 3.73Å; W627-T650 HydrophobicContact CZ3-CG2 3.86Å; T641-T650 PolarHBondContact O-OG1 2.9Å; R642-T650 VanDerWaalsContact C-OG1 3.24Å; R642-T650 PolarHBondContact O-N 3.24Å; R642-T650 PolarHBondContact O-OG1 3.37Å; L643-T650 CarbonylContact C-O 3.53Å; L643-T650 WeakPolarHBondContact CA-O 3.19Å; K644-T650 PolarHBondContact N-O 3.39Å |
| 651 | I | 95.4 | Very high | 93.9 | Very high | 39 Ų | 39 | 55.7 Ų | 55.7 | 20% | 0.2 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 164.6 | 169.5 | 62.5 | 174.3 | 0 | 0 | 0 | 109.6 | K625 V626 Y628 K644 | K625-I651 WeakPolarHBondContact CA-O 3.3Å; V626-I651 HydrophobicContact CG2-CD1 4.3Å; V626-I651 HydrophobicContact CG2-CG1 3.66Å; V626-I651 PolarHBondContact N-O 3.31Å; V626-I651 PolarHBondContact O-N 3.08Å; Y628-I651 HydrophobicContact CD1-CG2 4.22Å; Y628-I651 HydrophobicContact CD2-CD1 3.64Å; Y628-I651 HydrophobicContact CD2-CG1 4.37Å; Y628-I651 HydrophobicContact CD2-CG2 4.25Å; Y628-I651 HydrophobicContact CE2-CD1 4.34Å; Y628-I651 HydrophobicContact CG-CD1 4.19Å; Y628-I651 HydrophobicContact CG-CG1 4.46Å; Y628-I651 HydrophobicContact CG-CG2 3.82Å; K644-I651 HydrophobicContact CB-CG2 4.11Å; K644-I651 HydrophobicContact CD-CG2 4.49Å |
| 652 | W | 96.3 | Very high | 93.8 | Very high | 76 Ų | 76 | 55.2 Ų | 55.2 | 29% | 0.288 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 120 | 164 | -72.2 | 110.1 | 0 | 0 | 0 | 109.6 | P482 E483 K623 E624 K625 L643 | P482-W652 HydrophobicContact CB-CH2 3.43Å; P482-W652 VanDerWaalsContact CB-CH2 3.43Å; P482-W652 HydrophobicContact CB-CZ2 3.8Å; P482-W652 HydrophobicContact CB-CZ3 4.16Å; E483-W652 HydrophobicContact CG-CH2 4.32Å; K623-W652 HydrophobicContact CB-CB 4.35Å; K623-W652 HydrophobicContact CB-CD2 4.42Å; K623-W652 HydrophobicContact CB-CE3 3.76Å; K623-W652 HydrophobicContact CB-CZ3 4.49Å; K623-W652 HydrophobicContact CD-CB 4.13Å; K623-W652 WeakPolarHBondContact O-CZ3 3.29Å; E624-W652 CarbonylContact O-C 3.56Å; K625-W652 HydrophobicContact CB-CE3 4.03Å; K625-W652 HydrophobicContact CB-CH2 3.95Å; K625-W652 HydrophobicContact CB-CZ2 4.48Å; K625-W652 HydrophobicContact CB-CZ3 3.72Å; K625-W652 HydrophobicContact CD-CH2 4.41Å; K625-W652 HydrophobicContact CD-CZ2 4.42Å; L643-W652 HydrophobicContact CD2-CG 4.33Å |
| 653 | Y | 95.4 | Very high | 93.6 | Very high | 11 Ų | 11 | 50 Ų | 50 | 4% | 0.043 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 125 | 179.8 | -158.3 | -117.2 | 0 | 0 | 0 | 109.6 | T591 L592 P593 D594 K623 E624 V626 E655 L658 | T591-Y653 HydrophobicContact CG2-CD1 4.37Å; T591-Y653 HydrophobicContact CG2-CE1 3.83Å; L592-Y653 PolarHBondContact O-OH 3.12Å; P593-Y653 VanDerWaalsContact C-OH 3.26Å; P593-Y653 PolarHBondContact O-OH 2.92Å; D594-Y653 WeakPolarHBondContact CA-OH 3.26Å; D594-Y653 PolarHBondContact N-OH 3.23Å; D594-Y653 WeakPolarHBondContact OD1-CE2 3.27Å; D594-Y653 PolarHBondContact OD1-OH 3.03Å; K623-Y653 WeakPolarHBondContact CA-O 3.05Å; E624-Y653 PolarHBondContact N-O 3.49Å; E624-Y653 WeakPolarHBondContact O-CB 3.39Å; E624-Y653 PolarHBondContact O-N 3.12Å; V626-Y653 HydrophobicContact CG1-CG 4.39Å; V626-Y653 HydrophobicContact CG2-CD2 4.27Å; V626-Y653 HydrophobicContact CG2-CG 4.17Å; Y653-E655 HydrophobicContact CD1-CG 3.64Å; Y653-E655 HydrophobicContact CE1-CG 3.65Å; Y653-L658 HydrophobicContact CD1-CD1 4.36Å; Y653-L658 HydrophobicContact CD2-CD1 4.46Å; Y653-L658 HydrophobicContact CE1-CD1 3.6Å; Y653-L658 HydrophobicContact CE2-CD1 3.7Å; Y653-L658 VanDerWaalsContact OH-CD1 3.24Å; Y653-L658 WeakPolarHBondContact OH-CD1 3.35Å |
| 654 | N | 96.1 | Very high | 93.3 | Very high | 36 Ų | 36 | 55.3 Ų | 55.3 | 19% | 0.193 | 28% | 0.279 | C | S | . | . | trans | -113.9 | 83.7 | -172.5 | -171.3 | 8.2 | 0 | 0 | 0 | 110.6 | K623 K656 E657 L658 | K623-N654 HydrophobicContact CG-CB 4.36Å; N654-K656 PolarHBondContact O-N 3.1Å; N654-E657 HydrophobicContact CB-CB 4.17Å; N654-E657 WeakPolarHBondContact ND2-CB 3.38Å; N654-E657 PolarHBondContact ND2-OE2 3.06Å; N654-E657 PolarHBondContact O-N 3.04Å; N654-L658 PolarHBondContact O-N 3.42Å | ||
| 655 | E | 96.1 | Very high | 92.7 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.2 | -21.2 | -176.8 | -68.3 | -167.8 | 148.2 | 0 | 0 | 114 | K493 T591 L592 V619 A620 Y653 L659 | K493-E655 IonicContact NZ-OE1 3.79Å; K493-E655 PolarHBondContact NZ-OE1 2.93Å; K493-E655 IonicContact NZ-OE2 2.83Å; K493-E655 PolarHBondContact NZ-OE2 3.42Å; T591-E655 VanDerWaalsContact CA-OE1 3.28Å; T591-E655 WeakPolarHBondContact CA-OE1 3.38Å; T591-E655 WeakPolarHBondContact CG2-OE1 3.44Å; L592-E655 HydrophobicContact CB-CG 4.37Å; L592-E655 HydrophobicContact CD1-CB 4.25Å; L592-E655 PolarHBondContact N-OE1 3.09Å; V619-E655 HydrophobicContact CG1-CB 3.96Å; A620-E655 HydrophobicContact CB-CB 4.24Å; A620-E655 HydrophobicContact CB-CG 4.35Å; A620-E655 VanDerWaalsContact CB-OE2 3.24Å; A620-E655 WeakPolarHBondContact CB-OE2 3.48Å; A620-E655 PolarHBondContact N-OE2 2.89Å; Y653-E655 HydrophobicContact CD1-CG 3.64Å; Y653-E655 HydrophobicContact CE1-CG 3.65Å; E655-L659 VanDerWaalsContact O-CB 3.31Å; E655-L659 WeakPolarHBondContact O-CB 3.31Å; E655-L659 PolarHBondContact O-N 3.2Å |
| 656 | K | 94.9 | Very high | 92.3 | Very high | 95 Ų | 95 | 45.2 Ų | 45.2 | 41% | 0.413 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.4 | -44.2 | 171.8 | -79.5 | 175.5 | 158.8 | 168.5 | 0 | 112 | M621 N654 L659 S660 | M621-K656 HydrophobicContact CE-CG 4.35Å; M621-K656 WeakPolarHBondContact O-CE 3.26Å; M621-K656 PolarHBondContact O-NZ 2.88Å; M621-K656 WeakPolarHBondContact SD-CE 3.17Å; N654-K656 PolarHBondContact O-N 3.1Å; K656-L659 PolarHBondContact O-N 3.32Å; K656-S660 PolarHBondContact O-N 3.25Å; K656-S660 PolarHBondContact O-OG 3.49Å |
| 657 | E | 95 | Very high | 91.8 | Very high | 108 Ų | 108 | 48 Ų | 48 | 51% | 0.505 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -68.3 | -43.6 | 178.3 | -178.5 | 172 | -165.1 | 0 | 0 | 110.7 | N654 L659 S660 E661 | N654-E657 HydrophobicContact CB-CB 4.17Å; N654-E657 WeakPolarHBondContact ND2-CB 3.38Å; N654-E657 PolarHBondContact ND2-OE2 3.06Å; N654-E657 PolarHBondContact O-N 3.04Å; E657-L659 VanDerWaalsContact C-N 3.31Å; E657-L659 PolarHBondContact O-N 2.93Å; E657-S660 WeakPolarHBondContact O-CB 3.11Å; E657-S660 PolarHBondContact O-N 3.26Å; E657-S660 VanDerWaalsContact O-N 3.12Å; E657-E661 WeakPolarHBondContact O-CG 3.37Å; E657-E661 PolarHBondContact O-N 3.15Å |
| 658 | L | 94.9 | Very high | 91.4 | Very high | 22 Ų | 22 | 48 Ų | 48 | 12% | 0.115 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.3 | -40 | 173.9 | -64 | 172.7 | 0 | 0 | 0 | 112.4 | L592 Y653 N654 E661 I662 | L592-L658 HydrophobicContact CD1-CB 4.37Å; Y653-L658 HydrophobicContact CD1-CD1 4.36Å; Y653-L658 HydrophobicContact CD2-CD1 4.46Å; Y653-L658 HydrophobicContact CE1-CD1 3.6Å; Y653-L658 HydrophobicContact CE2-CD1 3.7Å; Y653-L658 VanDerWaalsContact OH-CD1 3.24Å; Y653-L658 WeakPolarHBondContact OH-CD1 3.35Å; N654-L658 PolarHBondContact O-N 3.42Å; L658-E661 PolarHBondContact O-N 2.94Å; L658-I662 WeakPolarHBondContact O-CD1 3.4Å; L658-I662 VanDerWaalsContact O-CG1 3.22Å; L658-I662 WeakPolarHBondContact O-CG1 3.31Å; L658-I662 PolarHBondContact O-N 3.44Å |
| 659 | L | 95.3 | Very high | 91.1 | Very high | 11 Ų | 11 | 53.5 Ų | 53.5 | 6% | 0.058 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.6 | -45.6 | 174.3 | 177.5 | 61.8 | 0 | 0 | 0 | 110.9 | V445 L592 V619 E655 K656 E657 E661 I662 E663 I670 | V445-L659 HydrophobicContact CG1-CD2 4.11Å; V445-L659 HydrophobicContact CG2-CD1 3.76Å; V445-L659 HydrophobicContact CG2-CD2 4.28Å; L592-L659 HydrophobicContact CD1-CB 3.95Å; V619-L659 HydrophobicContact CG1-CB 4.36Å; V619-L659 HydrophobicContact CG1-CD2 4.15Å; V619-L659 HydrophobicContact CG2-CD2 4.39Å; E655-L659 VanDerWaalsContact O-CB 3.31Å; E655-L659 WeakPolarHBondContact O-CB 3.31Å; E655-L659 PolarHBondContact O-N 3.2Å; K656-L659 PolarHBondContact O-N 3.32Å; E657-L659 VanDerWaalsContact C-N 3.31Å; E657-L659 PolarHBondContact O-N 2.93Å; L659-E661 VanDerWaalsContact C-N 3.33Å; L659-E661 PolarHBondContact O-N 2.89Å; L659-I662 WeakPolarHBondContact O-CB 3.49Å; L659-I662 PolarHBondContact O-N 3.35Å; L659-I662 VanDerWaalsContact O-N 3.14Å; L659-E663 HydrophobicContact CD1-CG 4.13Å; L659-E663 HydrophobicContact CG-CG 4.37Å; L659-E663 WeakPolarHBondContact O-CG 3.33Å; L659-E663 PolarHBondContact O-N 2.97Å; L659-I670 HydrophobicContact CD1-CD1 4.07Å |
| 660 | S | 93.5 | Very high | 90.9 | Very high | 69 Ų | 69 | 53.4 Ų | 53.4 | 48% | 0.483 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.2 | -41.4 | 176.6 | -61.4 | 0 | 0 | 0 | 0 | 112.4 | K656 E657 I662 E663 E664 | K656-S660 PolarHBondContact O-N 3.25Å; K656-S660 PolarHBondContact O-OG 3.49Å; E657-S660 WeakPolarHBondContact O-CB 3.11Å; E657-S660 PolarHBondContact O-N 3.26Å; E657-S660 VanDerWaalsContact O-N 3.12Å; S660-I662 VanDerWaalsContact C-N 3.31Å; S660-I662 PolarHBondContact O-N 3.44Å; S660-E663 PolarHBondContact O-N 2.58Å; S660-E664 WeakPolarHBondContact O-CB 3.27Å; S660-E664 PolarHBondContact O-N 3.36Å |
| 661 | E | 90.9 | Very high | 90.6 | Very high | 75 Ų | 75 | 56.6 Ų | 56.6 | 35% | 0.35 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.9 | -35.8 | 174.9 | -70.2 | 179 | -166.2 | 0 | 0 | 112.8 | E657 L658 L659 H665 | E657-E661 WeakPolarHBondContact O-CG 3.37Å; E657-E661 PolarHBondContact O-N 3.15Å; L658-E661 PolarHBondContact O-N 2.94Å; L659-E661 VanDerWaalsContact C-N 3.33Å; L659-E661 PolarHBondContact O-N 2.89Å; E661-H665 VanDerWaalsContact O-CB 3.27Å; E661-H665 WeakPolarHBondContact O-CB 3.47Å; E661-H665 PolarHBondContact O-N 3.45Å; E661-H665 VanDerWaalsContact O-N 3.09Å |
| 662 | I | 91 | Very high | 90.4 | Very high | 3 Ų | 3 | 60.4 Ų | 60.4 | 2% | 0.015 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -68 | -47.8 | 175.1 | -70.7 | 162.1 | 0 | 0 | 0 | 110.3 | L592 K596 Y599 L658 L659 S660 E664 H665 L666 I670 | L592-I662 HydrophobicContact CD1-CD1 4.27Å; L592-I662 HydrophobicContact CD2-CD1 4.28Å; K596-I662 HydrophobicContact CB-CG1 3.92Å; Y599-I662 HydrophobicContact CD1-CG2 3.42Å; Y599-I662 VanDerWaalsContact CD1-CG2 3.42Å; Y599-I662 HydrophobicContact CD2-CD1 3.84Å; Y599-I662 HydrophobicContact CD2-CG2 4.42Å; Y599-I662 HydrophobicContact CE1-CG2 3.71Å; Y599-I662 HydrophobicContact CG-CD1 3.86Å; Y599-I662 HydrophobicContact CG-CG1 4.24Å; Y599-I662 HydrophobicContact CG-CG2 3.81Å; L658-I662 WeakPolarHBondContact O-CD1 3.4Å; L658-I662 VanDerWaalsContact O-CG1 3.22Å; L658-I662 WeakPolarHBondContact O-CG1 3.31Å; L658-I662 PolarHBondContact O-N 3.44Å; L659-I662 WeakPolarHBondContact O-CB 3.49Å; L659-I662 PolarHBondContact O-N 3.35Å; L659-I662 VanDerWaalsContact O-N 3.14Å; S660-I662 VanDerWaalsContact C-N 3.31Å; S660-I662 PolarHBondContact O-N 3.44Å; I662-E664 PolarHBondContact O-N 3.2Å; I662-H665 WeakPolarHBondContact O-CB 3.49Å; I662-H665 PolarHBondContact O-N 3.04Å; I662-L666 HydrophobicContact CG2-CD1 3.88Å; I662-L666 HydrophobicContact CG2-CG 4.38Å; I662-L666 WeakPolarHBondContact O-CB 3.2Å; I662-L666 VanDerWaalsContact O-CG 3.32Å; I662-L666 WeakPolarHBondContact O-CG 3.4Å; I662-L666 PolarHBondContact O-N 2.72Å; I662-I670 HydrophobicContact CG2-CD1 4.03Å |
| 663 | E | 90.6 | Very high | 89.9 | Confident | 33 Ų | 33 | 57 Ų | 57 | 15% | 0.154 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.8 | -40.9 | 179.1 | -72.6 | -177.9 | 146.1 | 0 | 0 | 112 | L659 S660 H665 L666 K667 C668 T669 I670 | L659-E663 HydrophobicContact CD1-CG 4.13Å; L659-E663 HydrophobicContact CG-CG 4.37Å; L659-E663 WeakPolarHBondContact O-CG 3.33Å; L659-E663 PolarHBondContact O-N 2.97Å; S660-E663 PolarHBondContact O-N 2.58Å; E663-H665 VanDerWaalsContact C-N 3.35Å; E663-L666 PolarHBondContact O-N 3.31Å; E663-K667 WeakPolarHBondContact O-CA 3.49Å; E663-K667 PolarHBondContact O-N 2.87Å; E663-C668 CarbonylContact C-O 3.54Å; E663-C668 VanDerWaalsContact CA-O 3.26Å; E663-C668 WeakPolarHBondContact CA-O 3.43Å; E663-C668 VanDerWaalsContact CB-O 3.23Å; E663-C668 WeakPolarHBondContact CB-O 3.4Å; E663-C668 WeakPolarHBondContact CG-O 3.23Å; E663-C668 PolarHBondContact O-N 3.46Å; E663-C668 VanDerWaalsContact O-N 3.15Å; E663-T669 WeakPolarHBondContact OE1-CG2 3.35Å; E663-I670 HydrophobicContact CG-CD1 4.34Å; E663-I670 HydrophobicContact CG-CG1 4.11Å; E663-I670 PolarHBondContact OE1-N 3.48Å |
| 664 | E | 86.8 | Confident | 89.6 | Confident | 149 Ų | 149 | 62.5 Ų | 62.5 | 70% | 0.696 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -61.6 | -43.6 | 173.7 | -174.7 | -177.5 | -178.5 | 0 | 0 | 111.5 | S660 I662 K667 | S660-E664 WeakPolarHBondContact O-CB 3.27Å; S660-E664 PolarHBondContact O-N 3.36Å; I662-E664 PolarHBondContact O-N 3.2Å; E664-K667 PolarHBondContact O-N 2.84Å |
| 665 | H | 81.5 | Confident | 89.1 | Confident | 43 Ų | 43 | 63.7 Ų | 63.7 | 20% | 0.199 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65 | -40.8 | 178.5 | -177.6 | 77.2 | 0 | 0 | 0 | 112.8 | D435 K596 E661 I662 E663 K667 | D435-H665 VanDerWaalsContact CB-NE2 3.28Å; D435-H665 WeakPolarHBondContact CB-NE2 3.14Å; D435-H665 IonicContact OD2-CE1 3.72Å; D435-H665 IonicContact OD2-NE2 3.89Å; D435-H665 PolarHBondContact OD2-NE2 3.26Å; K596-H665 HydrophobicContact CD-CB 3.83Å; K596-H665 WeakPolarHBondContact CE-ND1 2.92Å; K596-H665 HydrophobicContact CG-CB 4.34Å; E661-H665 VanDerWaalsContact O-CB 3.27Å; E661-H665 WeakPolarHBondContact O-CB 3.47Å; E661-H665 PolarHBondContact O-N 3.45Å; E661-H665 VanDerWaalsContact O-N 3.09Å; I662-H665 WeakPolarHBondContact O-CB 3.49Å; I662-H665 PolarHBondContact O-N 3.04Å; E663-H665 VanDerWaalsContact C-N 3.35Å; H665-K667 VanDerWaalsContact C-N 3.26Å |
| 666 | L | 81.5 | Confident | 88.5 | Confident | 25 Ų | 25 | 66.5 Ų | 66.5 | 13% | 0.131 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -80.3 | -9.3 | 177.6 | -64 | -179.1 | 0 | 0 | 0 | 113.2 | V437 Y599 V600 I662 E663 C668 I670 | V437-L666 HydrophobicContact CG2-CD1 3.76Å; V437-L666 HydrophobicContact CG2-CD2 3.74Å; V437-L666 HydrophobicContact CG2-CG 4.34Å; Y599-L666 HydrophobicContact CD1-CD1 4.19Å; Y599-L666 HydrophobicContact CE1-CD1 4Å; V600-L666 HydrophobicContact CG2-CD2 3.88Å; I662-L666 HydrophobicContact CG2-CD1 3.88Å; I662-L666 HydrophobicContact CG2-CG 4.38Å; I662-L666 WeakPolarHBondContact O-CB 3.2Å; I662-L666 VanDerWaalsContact O-CG 3.32Å; I662-L666 WeakPolarHBondContact O-CG 3.4Å; I662-L666 PolarHBondContact O-N 2.72Å; E663-L666 PolarHBondContact O-N 3.31Å; L666-C668 PolarHBondContact O-N 3.11Å; L666-I670 HydrophobicContact CD1-CD1 4.4Å |
| 667 | K | 81.6 | Confident | 88.1 | Confident | 158 Ų | 158 | 62 Ų | 62 | 69% | 0.687 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 33 | -174.4 | -55.3 | 173.2 | -169.9 | 160.8 | 0 | 111.9 | E434 E663 E664 H665 | E434-K667 IonicContact OE2-NZ 3.57Å; E434-K667 PolarHBondContact OE2-NZ 3.27Å; E663-K667 WeakPolarHBondContact O-CA 3.49Å; E663-K667 PolarHBondContact O-N 2.87Å; E664-K667 PolarHBondContact O-N 2.84Å; H665-K667 VanDerWaalsContact C-N 3.26Å |
| 668 | C | 82 | Confident | 87.6 | Confident | 50 Ų | 50 | 62.5 Ų | 62.5 | 34% | 0.338 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -147.6 | 151.3 | 178.1 | 74.3 | 0 | 0 | 0 | 0 | 111.4 | E663 L666 | E663-C668 CarbonylContact C-O 3.54Å; E663-C668 VanDerWaalsContact CA-O 3.26Å; E663-C668 WeakPolarHBondContact CA-O 3.43Å; E663-C668 VanDerWaalsContact CB-O 3.23Å; E663-C668 WeakPolarHBondContact CB-O 3.4Å; E663-C668 WeakPolarHBondContact CG-O 3.23Å; E663-C668 PolarHBondContact O-N 3.46Å; E663-C668 VanDerWaalsContact O-N 3.15Å; L666-C668 PolarHBondContact O-N 3.11Å |
| 669 | T | 86.7 | Confident | 86.9 | Confident | 116 Ų | 116 | 62 Ų | 62 | 71% | 0.712 | 32% | 0.323 | S | S | * | . | P | Polyproline II helix | trans | -87.7 | 129.5 | 168.8 | -57.1 | 0 | 0 | 0 | 0 | 108.8 | E663 | E663-T669 WeakPolarHBondContact OE1-CG2 3.35Š|
| 670 | I | 89.3 | Confident | 85.3 | Confident | 2 Ų | 2 | 64.5 Ų | 64.5 | 1% | 0.01 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -81 | 133.3 | -177.6 | -57.8 | 173 | 0 | 0 | 0 | 108.9 | V445 Y599 L659 I662 E663 L666 Q672 | V445-I670 HydrophobicContact CB-CG2 4.49Å; V445-I670 HydrophobicContact CG2-CB 4.11Å; V445-I670 HydrophobicContact CG2-CG2 3.82Å; Y599-I670 HydrophobicContact CE1-CD1 3.93Å; L659-I670 HydrophobicContact CD1-CD1 4.07Å; I662-I670 HydrophobicContact CG2-CD1 4.03Å; E663-I670 HydrophobicContact CG-CD1 4.34Å; E663-I670 HydrophobicContact CG-CG1 4.11Å; E663-I670 PolarHBondContact OE1-N 3.48Å; L666-I670 HydrophobicContact CD1-CD1 4.4Å; I670-Q672 PolarHBondContact O-N 3.4Å |
| 671 | T | 88.6 | Confident | 83.5 | Confident | 67 Ų | 67 | 65.8 Ų | 65.8 | 41% | 0.411 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.1 | 127.9 | 179.4 | -56.4 | 0 | 0 | 0 | 0 | 111 | V444 V445 | V444-T671 CarbonylContact C-O 3.52Å; V444-T671 VanDerWaalsContact CA-O 3.26Å; V444-T671 WeakPolarHBondContact CA-O 3.27Å; V445-T671 PolarHBondContact N-O 2.94Å |
| 672 | Q | 90.1 | Very high | 81.3 | Confident | 119 Ų | 119 | 67.1 Ų | 67.1 | 56% | 0.556 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 136.8 | 176.1 | -65.1 | -173.3 | 11.2 | 0 | 0 | 110.8 | V445 I670 | V445-Q672 HydrophobicContact CB-CG 4.41Å; V445-Q672 HydrophobicContact CG1-CG 4.45Å; V445-Q672 CarbonylContact O-C 3.53Å; V445-Q672 VanDerWaalsContact O-CA 3.3Å; V445-Q672 WeakPolarHBondContact O-CA 3.28Å; I670-Q672 PolarHBondContact O-N 3.4Å |
| 673 | C | 87.1 | Confident | 78.7 | Confident | 4 Ų | 4 | 76.8 Ų | 76.8 | 3% | 0.027 | 40% | 0.4 | C | S | . | . | trans | -113.7 | 145 | 176 | -179.4 | 0 | 0 | 0 | 0 | 109.6 | V445 V446 P447 I677 K678 | V445-C673 PolarHBondContact O-N 2.91Å; V446-C673 HydrophobicContact CG2-CB 4.2Å; P447-C673 WeakPolarHBondContact CD-O 3.21Å; C673-I677 VanDerWaalsContact SG-C 3.57Å; C673-K678 PolarHBondContact SG-O 3.42Å | ||
| 674 | D | 87.6 | Confident | 76.2 | Confident | 127 Ų | 127 | 82.8 Ų | 82.8 | 68% | 0.679 | 43% | 0.425 | S | S | * | . | trans | -66.1 | 168.2 | 177.9 | -80.4 | -39.5 | 0 | 0 | 0 | 112.4 | D676 I677 | D674-D676 PolarHBondContact O-N 2.69Å; D674-D676 VanDerWaalsContact O-N 3.09Å; D674-I677 WeakPolarHBondContact O-CA 3.38Å; D674-I677 PolarHBondContact O-N 3.38Å | ||
| 675 | T | 86.1 | Confident | 73.9 | Confident | 60 Ų | 60 | 79.2 Ų | 79.2 | 37% | 0.368 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -15.1 | -178.6 | 63.9 | 0 | 0 | 0 | 0 | 113.8 | Y496 R499 I677 | Y496-T675 HydrophobicContact CE2-CG2 4.27Å; Y496-T675 WeakPolarHBondContact OH-CB 3.35Å; Y496-T675 WeakPolarHBondContact OH-CG2 3.44Å; R499-T675 VanDerWaalsContact CD-O 3.29Å; R499-T675 WeakPolarHBondContact CD-O 3.35Å; R499-T675 PolarHBondContact NH1-O 3.21Å; T675-I677 PolarHBondContact O-N 3.49Å |
| 676 | D | 84.2 | Confident | 71.9 | Confident | 61 Ų | 61 | 80.9 Ų | 80.9 | 33% | 0.326 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -7.8 | 171.8 | 74.2 | -10.2 | 0 | 0 | 0 | 112.9 | D674 K678 | D674-D676 PolarHBondContact O-N 2.69Å; D674-D676 VanDerWaalsContact O-N 3.09Å; D676-K678 HydrophobicContact CB-CG 4.49Å; D676-K678 PolarHBondContact O-N 3.44Å; D676-K678 PolarHBondContact OD1-N 3.4Å; D676-K678 VanDerWaalsContact OD1-N 3.16Å; D676-K678 VanDerWaalsContact OD2-CD 3.23Å; D676-K678 WeakPolarHBondContact OD2-CD 3.31Å; D676-K678 WeakPolarHBondContact OD2-CE 3.25Å; D676-K678 IonicContact OD2-NZ 2.72Å; D676-K678 PolarHBondContact OD2-NZ 3.38Å |
| 677 | I | 86.8 | Confident | 69.9 | Low | 0 Ų | 0 | 89.1 Ų | 89.1 | 0% | 0 | 48% | 0.475 | C | S | . | . | trans | 57.9 | 29.1 | 177.6 | -43.8 | -177.7 | 0 | 0 | 0 | 110.9 | V446 Y496 R499 A500 H504 I616 C673 D674 T675 V679 | V446-I677 HydrophobicContact CG1-CG1 4.18Å; V446-I677 HydrophobicContact CG2-CG1 4.25Å; V446-I677 HydrophobicContact CG2-CG2 4.17Å; Y496-I677 HydrophobicContact CG-CD1 4.24Å; Y496-I677 WeakPolarHBondContact O-CD1 3.48Å; R499-I677 HydrophobicContact CB-CD1 4Å; R499-I677 HydrophobicContact CG-CD1 4.09Å; R499-I677 HydrophobicContact CG-CG1 4.32Å; A500-I677 HydrophobicContact CB-CD1 4.09Å; A500-I677 HydrophobicContact CB-CG2 4.04Å; H504-I677 PolarHBondContact NE2-O 2.92Å; H504-I677 VanDerWaalsContact NE2-O 3.1Å; I616-I677 HydrophobicContact CD1-CG2 4.02Å; I616-I677 HydrophobicContact CG2-CG2 4.4Å; C673-I677 VanDerWaalsContact SG-C 3.57Å; D674-I677 WeakPolarHBondContact O-CA 3.38Å; D674-I677 PolarHBondContact O-N 3.38Å; T675-I677 PolarHBondContact O-N 3.49Å; I677-V679 PolarHBondContact O-N 3.47Å; I677-V679 VanDerWaalsContact O-N 3.16Å | ||
| 678 | K | 84.4 | Confident | 68.4 | Low | 118 Ų | 118 | 83.6 Ų | 83.6 | 51% | 0.513 | 45% | 0.454 | S | S | . | . | trans | -82.6 | 93.9 | 168.9 | -69.1 | -174.3 | -166.7 | 150.3 | 0 | 108.8 | E503 C673 D676 P680 | E503-K678 HydrophobicContact CG-CG 4.4Å; C673-K678 PolarHBondContact SG-O 3.42Å; D676-K678 HydrophobicContact CB-CG 4.49Å; D676-K678 PolarHBondContact O-N 3.44Å; D676-K678 PolarHBondContact OD1-N 3.4Å; D676-K678 VanDerWaalsContact OD1-N 3.16Å; D676-K678 VanDerWaalsContact OD2-CD 3.23Å; D676-K678 WeakPolarHBondContact OD2-CD 3.31Å; D676-K678 WeakPolarHBondContact OD2-CE 3.25Å; D676-K678 IonicContact OD2-NZ 2.72Å; D676-K678 PolarHBondContact OD2-NZ 3.38Å; K678-P680 VanDerWaalsContact O-CD 3.31Å; K678-P680 WeakPolarHBondContact O-CD 3.43Å | ||
| 679 | V | 79.6 | Confident | 67.2 | Low | 13 Ų | 13 | 84.8 Ų | 84.8 | 8% | 0.079 | 46% | 0.46 | C | S | . | . | trans | -62.6 | 118.8 | 173.7 | 179 | 0 | 0 | 0 | 0 | 108.3 | H442 V444 L614 I677 V681 | H442-V679 WeakPolarHBondContact CE1-CG1 3.49Å; V444-V679 HydrophobicContact CG1-CG1 3.88Å; V444-V679 HydrophobicContact CG1-CG2 4.38Å; V444-V679 HydrophobicContact CG2-CG2 3.86Å; L614-V679 HydrophobicContact CD1-CG1 4.25Å; L614-V679 HydrophobicContact CD1-CG2 4.28Å; L614-V679 HydrophobicContact CD2-CG2 4.25Å; I677-V679 PolarHBondContact O-N 3.47Å; I677-V679 VanDerWaalsContact O-N 3.16Å; V679-V681 PolarHBondContact O-N 2.89Å | ||
| 680 | P | 61.4 | Low | 66.2 | Low | 63 Ų | 63 | 80.7 Ų | 80.7 | 41% | 0.409 | 43% | 0.431 | S | S | . | . | trans | -54 | 129.3 | 176.9 | -21.9 | 31.5 | 0 | 0 | 0 | 109.2 | K678 D682 | K678-P680 VanDerWaalsContact O-CD 3.31Å; K678-P680 WeakPolarHBondContact O-CD 3.43Å; P680-D682 PolarHBondContact O-N 3.16Å | ||
| 681 | V | 55.5 | Low | 64.4 | Low | 95 Ų | 95 | 81.3 Ų | 81.3 | 58% | 0.576 | 44% | 0.439 | S | S | * | . | trans | -82.1 | 97.6 | 166.4 | -172.9 | 0 | 0 | 0 | 0 | 104 | V679 E683 | V679-V681 PolarHBondContact O-N 2.89Å; V681-E683 PolarHBondContact O-N 3.16Å | ||
| 682 | D | 45 | Very low | 62.8 | Low | 104 Ų | 104 | 84.2 Ų | 84.2 | 56% | 0.556 | 45% | 0.447 | S | S | * | . | trans | -53.4 | 132 | 175.6 | -75.9 | -36.7 | 0 | 0 | 0 | 108.8 | P680 F684 | P680-D682 PolarHBondContact O-N 3.16Å; D682-F684 HydrophobicContact CB-CB 4.42Å; D682-F684 PolarHBondContact O-N 3.09Å | ||
| 683 | E | 36.7 | Very low | 60.5 | Low | 206 Ų | 206 | 87.1 Ų | 87.1 | 96% | 0.963 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 3.2 | 178.5 | -71.3 | -174.5 | 151.1 | 0 | 0 | 113.4 | V681 D685 | V681-E683 PolarHBondContact O-N 3.16Å; E683-D685 VanDerWaalsContact C-N 3.35Å |
| 684 | F | 37.8 | Very low | 58.4 | Low | 158 Ų | 158 | 94.9 Ų | 94.9 | 69% | 0.693 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -11.2 | -178.5 | -116.6 | -104.1 | 0 | 0 | 0 | 114.9 | D682 Y701 | D682-F684 HydrophobicContact CB-CB 4.42Å; D682-F684 PolarHBondContact O-N 3.09Å; F684-Y701 WeakPolarHBondContact CE1-OH 3.29Å |
| 685 | D | 39.3 | Very low | 56.1 | Low | 74 Ų | 74 | 93.1 Ų | 93.1 | 40% | 0.396 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -152.2 | 116.4 | -180 | -111.9 | -38.9 | 0 | 0 | 0 | 112.3 | E683 K687 V688 R694 | E683-D685 VanDerWaalsContact C-N 3.35Å; D685-K687 PolarHBondContact O-N 3.24Å; D685-K687 VanDerWaalsContact O-N 3.14Å; D685-V688 HydrophobicContact CB-CG2 3.85Å; D685-R694 IonicContact OD1-CZ 3.75Å; D685-R694 IonicContact OD1-NH2 3.58Å; D685-R694 PolarHBondContact OD1-NH2 3.2Å; D685-R694 IonicContact OD2-CZ 2.77Å; D685-R694 IonicContact OD2-NH2 3.03Å; D685-R694 PolarHBondContact OD2-NH2 3.12Å |
| 686 | G | 38.8 | Very low | 53.7 | Low | 78 Ų | 78 | 99.2 Ų | 99.2 | 80% | 0.804 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.5 | 120.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | V688 | G686-V688 PolarHBondContact O-N 3.1Š|
| 687 | K | 39.8 | Very low | 51.4 | Low | 199 Ų | 199 | 99.4 Ų | 99.4 | 87% | 0.865 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 32.6 | 64.5 | 172.2 | -79.5 | -174.6 | 175.3 | 177.1 | 0 | 114.8 | D685 T689 | D685-K687 PolarHBondContact O-N 3.24Å; D685-K687 VanDerWaalsContact O-N 3.14Å; K687-T689 PolarHBondContact O-N 3.21Å; K687-T689 VanDerWaalsContact O-N 3.11Å |
| 688 | V | 49.5 | Very low | 49 | Very low | 42 Ų | 42 | 103.2 Ų | 103.2 | 26% | 0.255 | 57% | 0.57 | S | S | . | * | trans | -66.2 | 111 | 166.5 | -177.3 | 0 | 0 | 0 | 0 | 109 | M612 D685 G686 Y690 | M612-V688 HydrophobicContact CB-CG1 3.81Å; M612-V688 HydrophobicContact CG-CG1 3.82Å; D685-V688 HydrophobicContact CB-CG2 3.85Å; G686-V688 PolarHBondContact O-N 3.1Å; V688-Y690 HydrophobicContact CG1-CD1 4.42Å; V688-Y690 HydrophobicContact CG1-CE1 4.37Å | ||
| 689 | T | 56.2 | Low | 46.6 | Very low | 74 Ų | 74 | 100.5 Ų | 100.5 | 45% | 0.454 | 58% | 0.576 | S | S | . | * | trans | -98.3 | 109.9 | 164.4 | -55.1 | 0 | 0 | 0 | 0 | 107 | K687 G691 Q692 | K687-T689 PolarHBondContact O-N 3.21Å; K687-T689 VanDerWaalsContact O-N 3.11Å; T689-G691 PolarHBondContact O-N 2.71Å; T689-Q692 HydrophobicContact CG2-CG 3.92Å; T689-Q692 PolarHBondContact O-N 3.18Å; T689-Q692 VanDerWaalsContact O-N 3.08Å | ||
| 690 | Y | 66.7 | Low | 44.7 | Very low | 30 Ų | 30 | 108.2 Ų | 108.2 | 12% | 0.118 | 62% | 0.617 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -53.7 | 133.8 | 178.9 | -58.5 | -75.4 | 0 | 0 | 0 | 110.4 | H442 Y586 M612 L614 V688 | H442-Y690 HydrophobicContact CB-CE1 4.08Å; H442-Y690 AromaticContact ND1-CZ 3.8Å; H442-Y690 PolarHBondContact ND1-OH 2.78Å; Y586-Y690 HydrophobicContact CE1-CD2 4.38Å; Y586-Y690 HydrophobicContact CE1-CG 4.26Å; Y586-Y690 WeakPolarHBondContact OH-CB 3.21Å; Y586-Y690 PolarHBondContact OH-O 3.35Å; M612-Y690 HydrophobicContact CB-CD1 4.07Å; M612-Y690 HydrophobicContact CB-CE1 4.4Å; L614-Y690 HydrophobicContact CB-CD1 3.81Å; L614-Y690 HydrophobicContact CB-CD2 4.28Å; L614-Y690 HydrophobicContact CB-CE1 3.97Å; L614-Y690 HydrophobicContact CB-CE2 4.43Å; L614-Y690 HydrophobicContact CB-CG 3.99Å; L614-Y690 HydrophobicContact CD2-CD2 4.15Å; L614-Y690 HydrophobicContact CD2-CE2 4.02Å; V688-Y690 HydrophobicContact CG1-CD1 4.42Å; V688-Y690 HydrophobicContact CG1-CE1 4.37Å |
| 691 | G | 51.3 | Low | 43.6 | Very low | 16 Ų | 16 | 113.1 Ų | 113.1 | 17% | 0.165 | 63% | 0.628 | C | S | . | * | T | Hydrogen-bonded Turn | trans | 85.5 | -9.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | R611 M612 T689 | R611-G691 PolarHBondContact NH1-O 2.7Å; M612-G691 PolarHBondContact O-N 3.27Å; T689-G691 PolarHBondContact O-N 2.71Å |
| 692 | Q | 54.2 | Low | 43.1 | Very low | 127 Ų | 127 | 113.4 Ų | 113.4 | 59% | 0.593 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -93.9 | 150.3 | 172.8 | -65.6 | -168.4 | -7.7 | 0 | 0 | 112.3 | T689 | T689-Q692 HydrophobicContact CG2-CG 3.92Å; T689-Q692 PolarHBondContact O-N 3.18Å; T689-Q692 VanDerWaalsContact O-N 3.08Å |
| 693 | R | 42.8 | Very low | 43.1 | Very low | 181 Ų | 181 | 109.9 Ų | 109.9 | 68% | 0.683 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 136.2 | 171.4 | -85.2 | -175.5 | 171.4 | 165.2 | -2.4 | 109.1 | R611 A695 | R611-R693 HydrophobicContact CG-CG 4.48Å; R693-A695 PolarHBondContact O-N 2.89Å; R693-A695 VanDerWaalsContact O-N 3.11Å |
| 694 | R | 43.5 | Very low | 43.5 | Very low | 167 Ų | 167 | 107.2 Ų | 107.2 | 63% | 0.63 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -53 | 118.9 | 166.5 | -121 | 175.8 | 174.1 | 169.5 | -4.1 | 107.9 | D685 L696 | D685-R694 IonicContact OD1-CZ 3.75Å; D685-R694 IonicContact OD1-NH2 3.58Å; D685-R694 PolarHBondContact OD1-NH2 3.2Å; D685-R694 IonicContact OD2-CZ 2.77Å; D685-R694 IonicContact OD2-NH2 3.03Å; D685-R694 PolarHBondContact OD2-NH2 3.12Å; R694-L696 PolarHBondContact O-N 2.77Å |
| 695 | A | 38.2 | Very low | 44.1 | Very low | 89 Ų | 89 | 105.2 Ų | 105.2 | 74% | 0.736 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 131.6 | 162 | 0 | 0 | 0 | 0 | 0 | 106.2 | R693 G697 | R693-A695 PolarHBondContact O-N 2.89Å; R693-A695 VanDerWaalsContact O-N 3.11Å; A695-G697 PolarHBondContact O-N 2.7Å |
| 696 | L | 36.8 | Very low | 44.9 | Very low | 188 Ų | 188 | 106 Ų | 106 | 98% | 0.984 | 61% | 0.61 | S | S | * | * | trans | -60.8 | 75.7 | 173.4 | -79 | 152 | 0 | 0 | 0 | 109.8 | R694 | R694-L696 PolarHBondContact O-N 2.77Š| ||
| 697 | G | 34.7 | Very low | 45.7 | Very low | 65 Ų | 65 | 106.7 Ų | 106.7 | 67% | 0.67 | 60% | 0.598 | S | S | * | * | trans | -95.2 | 109.9 | 160.8 | 0 | 0 | 0 | 0 | 0 | 106 | A695 G699 | A695-G697 PolarHBondContact O-N 2.7Å; G697-G699 PolarHBondContact O-N 2.91Å | ||
| 698 | G | 37.1 | Very low | 46.4 | Very low | 80 Ų | 80 | 101 Ų | 101 | 83% | 0.825 | 58% | 0.577 | S | S | * | * | trans | -53 | 107.7 | 176 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 699 | G | 34.6 | Very low | 47.6 | Very low | 62 Ų | 62 | 101 Ų | 101 | 64% | 0.639 | 58% | 0.581 | S | S | * | * | trans | -74.1 | 128.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | G697 Y701 | G697-G699 PolarHBondContact O-N 2.91Å; G699-Y701 PolarHBondContact O-N 3.29Å | ||
| 700 | N | 38.3 | Very low | 48.7 | Very low | 175 Ų | 175 | 101.2 Ų | 101.2 | 94% | 0.936 | 58% | 0.584 | S | S | * | * | trans | -68.6 | 66.7 | 168.2 | -75.7 | -24.4 | 0 | 0 | 0 | 110.2 | ||||
| 701 | Y | 38.5 | Very low | 49.1 | Very low | 165 Ų | 165 | 103 Ų | 103 | 65% | 0.647 | 60% | 0.599 | S | S | * | * | trans | -116.6 | 118.6 | 168.3 | -106.8 | -90.4 | 0 | 0 | 0 | 108.2 | F684 G699 G703 | F684-Y701 WeakPolarHBondContact CE1-OH 3.29Å; G699-Y701 PolarHBondContact O-N 3.29Å; Y701-G703 PolarHBondContact O-N 3.42Å | ||
| 702 | T | 45.1 | Very low | 50.4 | Low | 102 Ų | 102 | 106.6 Ų | 106.6 | 63% | 0.626 | 62% | 0.617 | S | S | * | * | trans | -56.3 | 115.4 | 159.6 | 41.2 | 0 | 0 | 0 | 0 | 107.4 | D706 | T702-D706 WeakPolarHBondContact CA-OD2 3.21Å; T702-D706 HydrophobicContact CG2-CB 4.32Å | ||
| 703 | G | 46.2 | Very low | 51.9 | Low | 29 Ų | 29 | 107.2 Ų | 107.2 | 30% | 0.299 | 62% | 0.62 | S | S | . | * | trans | -64.3 | 166.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y701 V705 D706 V707 | Y701-G703 PolarHBondContact O-N 3.42Å; G703-V705 PolarHBondContact O-N 2.64Å; G703-D706 PolarHBondContact N-OD2 3.2Å; G703-D706 WeakPolarHBondContact O-CA 3.5Å; G703-D706 WeakPolarHBondContact O-CB 3.31Å; G703-D706 PolarHBondContact O-N 3.38Å; G703-V707 PolarHBondContact O-N 3.32Å | ||
| 704 | H | 45 | Very low | 54 | Low | 150 Ų | 150 | 104.8 Ų | 104.8 | 69% | 0.694 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -51.7 | -28.2 | 168.1 | -137 | 56.5 | 0 | 0 | 0 | 111.6 | V707 L708 | H704-V707 PolarHBondContact O-N 3.09Å; H704-L708 VanDerWaalsContact O-CB 3.28Å; H704-L708 WeakPolarHBondContact O-CB 3.36Å; H704-L708 VanDerWaalsContact O-CG 3.25Å; H704-L708 WeakPolarHBondContact O-CG 3.04Å; H704-L708 PolarHBondContact O-N 2.81Å |
| 705 | V | 50.5 | Low | 55.9 | Low | 117 Ų | 117 | 102.1 Ų | 102.1 | 71% | 0.709 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -59.7 | -42.2 | 170 | -178.8 | 0 | 0 | 0 | 0 | 112.7 | G703 L708 A709 | G703-V705 PolarHBondContact O-N 2.64Å; V705-L708 PolarHBondContact O-N 3.45Å; V705-A709 WeakPolarHBondContact O-CA 3.29Å; V705-A709 WeakPolarHBondContact O-CB 3.38Å; V705-A709 PolarHBondContact O-N 3.05Å |
| 706 | D | 55.3 | Low | 58.2 | Low | 90 Ų | 90 | 100.5 Ų | 100.5 | 48% | 0.481 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -73.3 | -32.1 | 178.9 | -64.4 | -44.8 | 0 | 0 | 0 | 112 | T702 G703 P710 | T702-D706 WeakPolarHBondContact CA-OD2 3.21Å; T702-D706 HydrophobicContact CG2-CB 4.32Å; G703-D706 PolarHBondContact N-OD2 3.2Å; G703-D706 WeakPolarHBondContact O-CA 3.5Å; G703-D706 WeakPolarHBondContact O-CB 3.31Å; G703-D706 PolarHBondContact O-N 3.38Å; D706-P710 WeakPolarHBondContact O-CD 3.13Å |
| 707 | V | 56.1 | Low | 60.8 | Low | 92 Ų | 92 | 95 Ų | 95 | 56% | 0.558 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -70.5 | -39.6 | 174.5 | 179 | 0 | 0 | 0 | 0 | 111.1 | G703 H704 | G703-V707 PolarHBondContact O-N 3.32Å; H704-V707 PolarHBondContact O-N 3.09Å |
| 708 | L | 53.9 | Low | 63.3 | Low | 80 Ų | 80 | 96.7 Ų | 96.7 | 42% | 0.419 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -87.3 | -18.3 | -179.2 | -67.9 | 169.8 | 0 | 0 | 0 | 113.3 | H704 V705 T711 V712 | H704-L708 VanDerWaalsContact O-CB 3.28Å; H704-L708 WeakPolarHBondContact O-CB 3.36Å; H704-L708 VanDerWaalsContact O-CG 3.25Å; H704-L708 WeakPolarHBondContact O-CG 3.04Å; H704-L708 PolarHBondContact O-N 2.81Å; V705-L708 PolarHBondContact O-N 3.45Å; L708-T711 PolarHBondContact O-N 3.42Å; L708-V712 HydrophobicContact CB-CG2 4.42Å; L708-V712 WeakPolarHBondContact O-CG2 3.38Å; L708-V712 PolarHBondContact O-N 3.23Å |
| 709 | A | 75 | Confident | 65.7 | Low | 41 Ų | 41 | 98.4 Ų | 98.4 | 34% | 0.339 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -48.6 | -49.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | V705 T711 V712 Q713 | V705-A709 WeakPolarHBondContact O-CA 3.29Å; V705-A709 WeakPolarHBondContact O-CB 3.38Å; V705-A709 PolarHBondContact O-N 3.05Å; A709-T711 PolarHBondContact O-N 2.89Å; A709-V712 PolarHBondContact O-N 3.09Å; A709-Q713 WeakPolarHBondContact O-CB 3.39Å; A709-Q713 PolarHBondContact O-N 2.98Å |
| 710 | P | 79.5 | Confident | 68.4 | Low | 79 Ų | 79 | 103.9 Ų | 103.9 | 51% | 0.513 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.7 | -39.4 | 177.2 | 20.6 | -30.8 | 0 | 0 | 0 | 112.9 | D706 Q713 E714 | D706-P710 WeakPolarHBondContact O-CD 3.13Å; P710-Q713 PolarHBondContact O-N 3.03Å; P710-E714 WeakPolarHBondContact O-CB 3.27Å; P710-E714 PolarHBondContact O-N 2.79Å |
| 711 | T | 75.3 | Confident | 70.8 | Confident | 69 Ų | 69 | 101.1 Ų | 101.1 | 42% | 0.423 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68.8 | -41.1 | 178.6 | -48.2 | 0 | 0 | 0 | 0 | 112.2 | L708 A709 Q713 E714 L715 | L708-T711 PolarHBondContact O-N 3.42Å; A709-T711 PolarHBondContact O-N 2.89Å; T711-Q713 VanDerWaalsContact C-N 3.31Å; T711-E714 PolarHBondContact O-N 2.92Å; T711-L715 PolarHBondContact O-N 3.01Å |
| 712 | V | 78.6 | Confident | 72.9 | Confident | 91 Ų | 91 | 96.2 Ų | 96.2 | 55% | 0.552 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.5 | -38.1 | 175.4 | 172.3 | 0 | 0 | 0 | 0 | 110.5 | L708 A709 L715 A716 | L708-V712 HydrophobicContact CB-CG2 4.42Å; L708-V712 WeakPolarHBondContact O-CG2 3.38Å; L708-V712 PolarHBondContact O-N 3.23Å; A709-V712 PolarHBondContact O-N 3.09Å; V712-L715 PolarHBondContact O-N 3.39Å; V712-A716 WeakPolarHBondContact O-CB 3.33Å; V712-A716 PolarHBondContact O-N 3.11Å |
| 713 | Q | 84.7 | Confident | 74.7 | Confident | 139 Ų | 139 | 96.4 Ų | 96.4 | 65% | 0.65 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -68.1 | -37.3 | 177 | -164.8 | 160.4 | 5.1 | 0 | 0 | 111.8 | A709 P710 T711 A716 V717 | A709-Q713 WeakPolarHBondContact O-CB 3.39Å; A709-Q713 PolarHBondContact O-N 2.98Å; P710-Q713 PolarHBondContact O-N 3.03Å; T711-Q713 VanDerWaalsContact C-N 3.31Å; Q713-A716 PolarHBondContact O-N 3.44Å; Q713-V717 WeakPolarHBondContact O-CG2 3.47Å; Q713-V717 PolarHBondContact O-N 3.18Å; Q713-V717 VanDerWaalsContact O-N 3.12Å |
| 714 | E | 88.3 | Confident | 76.4 | Confident | 131 Ų | 131 | 97.7 Ų | 97.7 | 61% | 0.612 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.9 | -43.2 | 172.8 | -167.3 | 172.3 | -155.1 | 0 | 0 | 112.1 | P710 T711 A716 V717 L718 | P710-E714 WeakPolarHBondContact O-CB 3.27Å; P710-E714 PolarHBondContact O-N 2.79Å; T711-E714 PolarHBondContact O-N 2.92Å; E714-A716 PolarHBondContact O-N 3.29Å; E714-V717 PolarHBondContact O-N 3.27Å; E714-L718 WeakPolarHBondContact O-CG 3.32Å; E714-L718 PolarHBondContact O-N 3.22Å |
| 715 | L | 82 | Confident | 78 | Confident | 111 Ų | 111 | 93.6 Ų | 93.6 | 58% | 0.581 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.3 | -44.4 | 173.5 | -103.8 | 151.5 | 0 | 0 | 0 | 112.5 | T711 V712 V717 L718 E719 | T711-L715 PolarHBondContact O-N 3.01Å; V712-L715 PolarHBondContact O-N 3.39Å; L715-V717 VanDerWaalsContact C-N 3.29Å; L715-V717 PolarHBondContact O-N 3.25Å; L715-L718 PolarHBondContact O-N 3.15Å; L715-E719 WeakPolarHBondContact O-CB 3.25Å; L715-E719 PolarHBondContact O-N 3.42Å |
| 716 | A | 87.2 | Confident | 79.1 | Confident | 54 Ų | 54 | 95.6 Ų | 95.6 | 45% | 0.446 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.2 | -34.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V712 Q713 E714 R720 | V712-A716 WeakPolarHBondContact O-CB 3.33Å; V712-A716 PolarHBondContact O-N 3.11Å; Q713-A716 PolarHBondContact O-N 3.44Å; E714-A716 PolarHBondContact O-N 3.29Å; A716-R720 WeakPolarHBondContact O-CB 3.33Å; A716-R720 PolarHBondContact O-N 3.26Å |
| 717 | V | 90.1 | Very high | 79.8 | Confident | 73 Ų | 73 | 96 Ų | 96 | 44% | 0.442 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.2 | -47.4 | 173.9 | 170.1 | 0 | 0 | 0 | 0 | 110.7 | Q713 E714 L715 E719 R720 E721 | Q713-V717 WeakPolarHBondContact O-CG2 3.47Å; Q713-V717 PolarHBondContact O-N 3.18Å; Q713-V717 VanDerWaalsContact O-N 3.12Å; E714-V717 PolarHBondContact O-N 3.27Å; L715-V717 VanDerWaalsContact C-N 3.29Å; L715-V717 PolarHBondContact O-N 3.25Å; V717-E719 VanDerWaalsContact C-N 3.34Å; V717-E719 PolarHBondContact O-N 2.86Å; V717-R720 WeakPolarHBondContact O-CB 3.31Å; V717-R720 PolarHBondContact O-N 3.37Å; V717-E721 WeakPolarHBondContact O-CG 3.33Å; V717-E721 PolarHBondContact O-N 3.13Å |
| 718 | L | 88.9 | Confident | 80.5 | Confident | 100 Ų | 100 | 97.9 Ų | 97.9 | 52% | 0.524 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62 | -41 | 178.1 | -73.2 | 169.7 | 0 | 0 | 0 | 112.2 | E714 L715 E721 A722 | E714-L718 WeakPolarHBondContact O-CG 3.32Å; E714-L718 PolarHBondContact O-N 3.22Å; L715-L718 PolarHBondContact O-N 3.15Å; L718-E721 PolarHBondContact O-N 3.1Å; L718-A722 WeakPolarHBondContact O-CB 3.27Å; L718-A722 PolarHBondContact O-N 3.12Å |
| 719 | E | 87.4 | Confident | 81 | Confident | 116 Ų | 116 | 100.1 Ų | 100.1 | 54% | 0.542 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.9 | -45.3 | 174.8 | -173.3 | -177.5 | -177.9 | 0 | 0 | 111.1 | L715 V717 E721 A722 Q723 | L715-E719 WeakPolarHBondContact O-CB 3.25Å; L715-E719 PolarHBondContact O-N 3.42Å; V717-E719 VanDerWaalsContact C-N 3.34Å; V717-E719 PolarHBondContact O-N 2.86Å; E719-E721 VanDerWaalsContact C-N 3.33Å; E719-E721 PolarHBondContact O-N 3.28Å; E719-A722 PolarHBondContact O-N 3.44Å; E719-Q723 WeakPolarHBondContact O-CB 3.46Å; E719-Q723 WeakPolarHBondContact O-CG 3.43Å; E719-Q723 PolarHBondContact O-N 3.18Å; E719-Q723 PolarHBondContact OE1-NE2 3.34Å; E719-Q723 VanDerWaalsContact OE1-NE2 3.11Å |
| 720 | R | 90.5 | Very high | 80 | Confident | 177 Ų | 177 | 101.2 Ų | 101.2 | 67% | 0.668 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.8 | -40.8 | 176.6 | -164.7 | -176.5 | 89.4 | 170.8 | 5.6 | 111.8 | A716 V717 T724 | A716-R720 WeakPolarHBondContact O-CB 3.33Å; A716-R720 PolarHBondContact O-N 3.26Å; V717-R720 WeakPolarHBondContact O-CB 3.31Å; V717-R720 PolarHBondContact O-N 3.37Å; R720-T724 WeakPolarHBondContact O-CB 3.49Å; R720-T724 PolarHBondContact O-N 3.14Å; R720-T724 PolarHBondContact O-OG1 3.36Å |
| 721 | E | 88.5 | Confident | 78.7 | Confident | 117 Ų | 117 | 106.4 Ų | 106.4 | 55% | 0.547 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.9 | -43 | 176 | -75.7 | -176.5 | 170.2 | 0 | 0 | 112 | V717 L718 E719 T724 S725 | V717-E721 WeakPolarHBondContact O-CG 3.33Å; V717-E721 PolarHBondContact O-N 3.13Å; L718-E721 PolarHBondContact O-N 3.1Å; E719-E721 VanDerWaalsContact C-N 3.33Å; E719-E721 PolarHBondContact O-N 3.28Å; E721-T724 PolarHBondContact O-N 3.32Å; E721-S725 VanDerWaalsContact O-CB 3.22Å; E721-S725 WeakPolarHBondContact O-CB 3.38Å; E721-S725 PolarHBondContact O-N 3.11Å |
| 722 | A | 82.7 | Confident | 77.5 | Confident | 62 Ų | 62 | 110.2 Ų | 110.2 | 51% | 0.512 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.4 | -45.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L718 E719 S725 F726 | L718-A722 WeakPolarHBondContact O-CB 3.27Å; L718-A722 PolarHBondContact O-N 3.12Å; E719-A722 PolarHBondContact O-N 3.44Å; A722-S725 PolarHBondContact O-N 3.08Å; A722-F726 WeakPolarHBondContact O-CB 3.37Å; A722-F726 PolarHBondContact O-N 3.25Å |
| 723 | Q | 82.6 | Confident | 76.1 | Confident | 106 Ų | 106 | 111.4 Ų | 111.4 | 50% | 0.495 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.3 | -41 | 176.7 | -69.8 | 177.3 | 7.1 | 0 | 0 | 111.8 | E719 F726 L727 | E719-Q723 WeakPolarHBondContact O-CB 3.46Å; E719-Q723 WeakPolarHBondContact O-CG 3.43Å; E719-Q723 PolarHBondContact O-N 3.18Å; E719-Q723 PolarHBondContact OE1-NE2 3.34Å; E719-Q723 VanDerWaalsContact OE1-NE2 3.11Å; Q723-F726 PolarHBondContact O-N 3.44Å; Q723-L727 WeakPolarHBondContact O-CG 3.4Å; Q723-L727 PolarHBondContact O-N 3.26Å |
| 724 | T | 82.1 | Confident | 74.5 | Confident | 57 Ų | 57 | 112.2 Ų | 112.2 | 35% | 0.35 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -67 | -39 | 176.9 | -55.6 | 0 | 0 | 0 | 0 | 111 | R720 E721 L727 H728 | R720-T724 WeakPolarHBondContact O-CB 3.49Å; R720-T724 PolarHBondContact O-N 3.14Å; R720-T724 PolarHBondContact O-OG1 3.36Å; E721-T724 PolarHBondContact O-N 3.32Å; T724-L727 PolarHBondContact O-N 2.7Å; T724-H728 WeakPolarHBondContact O-CB 3.42Å; T724-H728 PolarHBondContact O-CD2 2.93Å; T724-H728 PolarHBondContact O-N 2.83Å |
| 725 | S | 78 | Confident | 72.7 | Confident | 64 Ų | 64 | 114.7 Ų | 114.7 | 45% | 0.448 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -62.9 | -44.8 | 173.8 | -174.8 | 0 | 0 | 0 | 0 | 111.7 | E721 A722 L727 H728 L729 | E721-S725 VanDerWaalsContact O-CB 3.22Å; E721-S725 WeakPolarHBondContact O-CB 3.38Å; E721-S725 PolarHBondContact O-N 3.11Å; A722-S725 PolarHBondContact O-N 3.08Å; S725-L727 VanDerWaalsContact C-N 3.34Å; S725-L727 PolarHBondContact O-N 2.8Å; S725-H728 PolarHBondContact O-N 3.49Å; S725-L729 WeakPolarHBondContact O-CB 3.41Å; S725-L729 WeakPolarHBondContact O-CG 3.23Å; S725-L729 PolarHBondContact O-N 3.27Å |
| 726 | F | 73.9 | Confident | 70.9 | Confident | 158 Ų | 158 | 116.7 Ų | 116.7 | 69% | 0.693 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -59.5 | -43.4 | 174.3 | -179.9 | -97.4 | 0 | 0 | 0 | 112 | A722 Q723 L729 G730 | A722-F726 WeakPolarHBondContact O-CB 3.37Å; A722-F726 PolarHBondContact O-N 3.25Å; Q723-F726 PolarHBondContact O-N 3.44Å; F726-L729 PolarHBondContact O-N 3.45Å; F726-G730 PolarHBondContact O-N 3.14Å |
| 727 | L | 70.3 | Confident | 68.9 | Low | 98 Ų | 98 | 123.4 Ų | 123.4 | 51% | 0.513 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -65.8 | -40.8 | 175.2 | -70.5 | 169.6 | 0 | 0 | 0 | 111.9 | Q723 T724 S725 L729 G730 Y731 | Q723-L727 WeakPolarHBondContact O-CG 3.4Å; Q723-L727 PolarHBondContact O-N 3.26Å; T724-L727 PolarHBondContact O-N 2.7Å; S725-L727 VanDerWaalsContact C-N 3.34Å; S725-L727 PolarHBondContact O-N 2.8Å; L727-L729 VanDerWaalsContact C-N 3.33Å; L727-L729 PolarHBondContact O-N 3.2Å; L727-G730 CarbonylContact O-C 3.56Å; L727-G730 PolarHBondContact O-N 2.97Å; L727-Y731 WeakPolarHBondContact O-CB 3.15Å; L727-Y731 WeakPolarHBondContact O-CD2 3.49Å; L727-Y731 PolarHBondContact O-N 3.41Å |
| 728 | H | 70.7 | Confident | 66.7 | Low | 133 Ų | 133 | 131.8 Ų | 131.8 | 62% | 0.616 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -64.9 | -35.5 | 174.6 | -82.1 | -61.5 | 0 | 0 | 0 | 113.2 | T724 S725 G730 Y731 M732 | T724-H728 WeakPolarHBondContact O-CB 3.42Å; T724-H728 PolarHBondContact O-CD2 2.93Å; T724-H728 PolarHBondContact O-N 2.83Å; S725-H728 PolarHBondContact O-N 3.49Å; H728-G730 VanDerWaalsContact C-N 3.35Å; H728-Y731 PolarHBondContact O-N 3.31Å; H728-M732 PolarHBondContact O-N 3.21Å |
| 729 | L | 65 | Low | 64.6 | Low | 126 Ų | 126 | 130.6 Ų | 130.6 | 66% | 0.66 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -66.4 | -37.3 | 172 | -77.4 | 160.8 | 0 | 0 | 0 | 111.5 | S725 F726 L727 | S725-L729 WeakPolarHBondContact O-CB 3.41Å; S725-L729 WeakPolarHBondContact O-CG 3.23Å; S725-L729 PolarHBondContact O-N 3.27Å; F726-L729 PolarHBondContact O-N 3.45Å; L727-L729 VanDerWaalsContact C-N 3.33Å; L727-L729 PolarHBondContact O-N 3.2Å |
| 730 | G | 54.7 | Low | 62.3 | Low | 64 Ų | 64 | 138 Ų | 138 | 66% | 0.66 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -73.8 | -21 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115 | F726 L727 H728 | F726-G730 PolarHBondContact O-N 3.14Å; L727-G730 CarbonylContact O-C 3.56Å; L727-G730 PolarHBondContact O-N 2.97Å; H728-G730 VanDerWaalsContact C-N 3.35Å |
| 731 | Y | 51.9 | Low | 60.9 | Low | 189 Ų | 189 | 136.1 Ų | 136.1 | 74% | 0.741 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.3 | 14.8 | -177.8 | -85.8 | -83.4 | 0 | 0 | 0 | 114.5 | L727 H728 P733 | L727-Y731 WeakPolarHBondContact O-CB 3.15Å; L727-Y731 WeakPolarHBondContact O-CD2 3.49Å; L727-Y731 PolarHBondContact O-N 3.41Å; H728-Y731 PolarHBondContact O-N 3.31Å; Y731-P733 VanDerWaalsContact O-CD 3.23Å; Y731-P733 WeakPolarHBondContact O-CD 3.4Å |
| 732 | M | 49.4 | Very low | 59.4 | Low | 148 Ų | 148 | 137.1 Ų | 137.1 | 73% | 0.729 | 70% | 0.699 | S | S | * | * | trans | -66.7 | 117.9 | 164.5 | -79.6 | -146.3 | 169.6 | 0 | 0 | 109.5 | H728 N734 | H728-M732 PolarHBondContact O-N 3.21Å; M732-N734 PolarHBondContact O-N 3.11Å | ||
| 733 | P | 48.9 | Very low | 58.1 | Low | 117 Ų | 117 | 141.3 Ų | 141.3 | 76% | 0.76 | 71% | 0.709 | S | S | * | * | trans | -66.4 | 110.2 | 176.7 | -10.8 | 25.9 | 0 | 0 | 0 | 109.1 | Y731 Q735 | Y731-P733 VanDerWaalsContact O-CD 3.23Å; Y731-P733 WeakPolarHBondContact O-CD 3.4Å; P733-Q735 PolarHBondContact O-N 2.68Å; P733-Q735 VanDerWaalsContact O-N 3.16Å | ||
| 734 | N | 51.9 | Low | 56.7 | Low | 155 Ų | 155 | 143.4 Ų | 143.4 | 83% | 0.829 | 72% | 0.722 | S | S | * | * | S | Bend | trans | 27.5 | 75.4 | 152.3 | -83.9 | -23.6 | 0 | 0 | 0 | 116.9 | M732 | M732-N734 PolarHBondContact O-N 3.11Š|
| 735 | Q | 49.7 | Very low | 55.1 | Low | 183 Ų | 183 | 148.8 Ų | 148.8 | 86% | 0.855 | 75% | 0.745 | S | S | * | * | trans | -134.3 | -5.6 | 159.5 | -78.5 | -162 | -15 | 0 | 0 | 116.5 | P733 | P733-Q735 PolarHBondContact O-N 2.68Å; P733-Q735 VanDerWaalsContact O-N 3.16Å | ||
| 736 | L | 45.3 | Very low | 53.6 | Low | 154 Ų | 154 | 154.4 Ų | 154.4 | 81% | 0.806 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -109 | -3.7 | -175.7 | -89.2 | 154.9 | 0 | 0 | 0 | 116.6 | ||
| 737 | F | 44.9 | Very low | 52.1 | Low | 195 Ų | 195 | 154.1 Ų | 154.1 | 86% | 0.855 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -102.5 | 35 | 177.4 | -80.2 | -76 | 0 | 0 | 0 | 114.4 | ||
| 738 | R | 42.8 | Very low | 50.7 | Low | 248 Ų | 248 | 158.5 Ų | 158.5 | 94% | 0.936 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -109.1 | 7.9 | 172.4 | -102.5 | -168.7 | -176.9 | -170.3 | 3 | 115.8 | ||
| 739 | A | 44.4 | Very low | 49 | Very low | 76 Ų | 76 | 160.6 Ų | 160.6 | 63% | 0.628 | 80% | 0.804 | S | S | * | * | trans | -154.9 | 63.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 740 | F | 39.5 | Very low | 47.6 | Very low | 272 Ų | 272 | 163.7 Ų | 163.7 | 100% | 1.193 | 82% | 0.817 | S | S | * | * | trans | -152.3 | 0 | 153.1 | -83.5 | -67.5 | 0 | 0 | 0 | 109.4 |
Retrieved 740 of 740 residues in 1265.8 ms
(Link to these results)