| 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 | 58.3 | Low | 82.4 | Confident | 233 Ų | 233 | 74.8 Ų | 74.8 | 100% | 1.148 | 39% | 0.386 | S | S | * | . | 0 | 148.4 | 0 | -59.8 | 172.9 | -173.8 | 0 | 0 | 108.9 | |||||
| 2 | P | 64.7 | Low | 81.8 | Confident | 97 Ų | 97 | 72.8 Ų | 72.8 | 63% | 0.63 | 38% | 0.375 | S | S | * | . | P | Polyproline II helix | trans | -61.2 | 134.2 | 168 | -16.4 | 30.5 | 0 | 0 | 0 | 109.4 | P22 | P2-P22 HydrophobicContact CB-CG 4.2Š|
| 3 | K | 77 | Confident | 81.1 | Confident | 180 Ų | 180 | 72.1 Ų | 72.1 | 78% | 0.783 | 37% | 0.372 | S | S | * | . | P | Polyproline II helix | trans | -69.1 | 130.3 | 172.5 | -72.1 | -171.8 | 175.8 | -174.8 | 0 | 109 | P22 | K3-P22 WeakPolarHBondContact O-CD 3.47Å; K3-P22 VanDerWaalsContact O-CG 3.25Å; K3-P22 WeakPolarHBondContact O-CG 2.84Å |
| 4 | P | 83.5 | Confident | 81 | Confident | 91 Ų | 91 | 69.9 Ų | 69.9 | 59% | 0.591 | 37% | 0.37 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 152.8 | 169.8 | 26.2 | -32.5 | 0 | 0 | 0 | 110.3 | A19 | P4-A19 HydrophobicContact CB-CB 3.95Š|
| 5 | I | 85.8 | Confident | 81.5 | Confident | 43 Ų | 43 | 72.1 Ų | 72.1 | 22% | 0.221 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 117.4 | 175.7 | -57.7 | 175.4 | 0 | 0 | 0 | 106.9 | A19 I20 P22 T66 L76 | I5-A19 WeakPolarHBondContact O-CA 3.04Å; I5-I20 HydrophobicContact CB-CG1 4.01Å; I5-I20 PolarHBondContact N-O 3.24Å; I5-I20 PolarHBondContact O-N 2.62Å; I5-P22 HydrophobicContact CD1-CB 4.25Å; I5-P22 HydrophobicContact CD1-CG 4.14Å; I5-P22 HydrophobicContact CG1-CG 4.38Å; I5-T66 HydrophobicContact CD1-CG2 3.38Å; I5-L76 HydrophobicContact CG2-CD1 3.56Å; I5-L76 HydrophobicContact CG2-CG 4.01Å |
| 6 | N | 90.2 | Very high | 81.9 | Confident | 75 Ų | 75 | 69.3 Ų | 69.3 | 40% | 0.401 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 138 | 178.3 | -60.9 | -13.3 | 0 | 0 | 0 | 109.7 | P75 L76 | N6-P75 HydrophobicContact CB-CB 4.02Å; N6-P75 WeakPolarHBondContact O-CA 3.35Å; N6-L76 PolarHBondContact O-N 3.15Å |
| 7 | V | 90.9 | Very high | 82.4 | Confident | 1 Ų | 1 | 71.8 Ų | 71.8 | 1% | 0.006 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 135 | -178.4 | 179.1 | 0 | 0 | 0 | 0 | 108.3 | V9 E17 F18 I20 L29 L76 F78 | V7-V9 HydrophobicContact CG1-CG2 3.9Å; V7-E17 WeakPolarHBondContact O-CA 3.46Å; V7-F18 PolarHBondContact N-O 2.79Å; V7-F18 PolarHBondContact O-N 3.37Å; V7-I20 HydrophobicContact CG2-CB 4.41Å; V7-I20 HydrophobicContact CG2-CD1 3.76Å; V7-I20 HydrophobicContact CG2-CG1 3.72Å; V7-I20 HydrophobicContact CG2-CG2 3.94Å; V7-L29 HydrophobicContact CG1-CD1 3.98Å; V7-L29 HydrophobicContact CG1-CD2 4.37Å; V7-L76 HydrophobicContact CG2-CB 4.42Å; V7-F78 HydrophobicContact CG1-CD2 3.52Å; V7-F78 HydrophobicContact CG1-CE2 3.69Å; V7-F78 HydrophobicContact CG2-CE2 4.48Å |
| 8 | R | 92.7 | Very high | 82.9 | Confident | 69 Ų | 69 | 69.8 Ų | 69.8 | 26% | 0.26 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 126.6 | 166.9 | -177.9 | 179.5 | -63.1 | -159.9 | 3.7 | 108 | E15 L16 E17 P75 L76 F78 | R8-E15 WeakPolarHBondContact CD-OE2 3.22Å; R8-E15 IonicContact CZ-OE2 2.7Å; R8-E15 IonicContact NE-OE2 3.47Å; R8-E15 IonicContact NH1-OE2 2.63Å; R8-E15 PolarHBondContact NH1-OE2 3.06Å; R8-L16 WeakPolarHBondContact CA-O 3.25Å; R8-E17 HydrophobicContact CB-CG 4.21Å; R8-E17 HydrophobicContact CG-CG 4.1Å; R8-E17 IonicContact CZ-OE1 2.68Å; R8-E17 IonicContact NE-OE1 2.69Å; R8-E17 PolarHBondContact NE-OE1 3.17Å; R8-E17 IonicContact NH2-OE1 2.69Å; R8-E17 PolarHBondContact NH2-OE1 3.14Å; R8-P75 HydrophobicContact CB-CB 4.07Å; R8-P75 HydrophobicContact CB-CG 3.79Å; R8-L76 PolarHBondContact N-O 3.14Å; R8-F78 PolarHBondContact O-N 3.4Å |
| 9 | V | 91.2 | Very high | 83.3 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 104.8 | 170.9 | -173.5 | 0 | 0 | 0 | 0 | 108.8 | V7 L16 F18 L29 V33 L47 F78 F80 | V7-V9 HydrophobicContact CG1-CG2 3.9Å; V9-L16 HydrophobicContact CB-CB 4.41Å; V9-L16 PolarHBondContact N-O 3.06Å; V9-L16 PolarHBondContact O-N 3.11Å; V9-F18 HydrophobicContact CG2-CE1 4.22Å; V9-F18 HydrophobicContact CG2-CZ 4.2Å; V9-L29 HydrophobicContact CG2-CD1 4.3Å; V9-V33 HydrophobicContact CB-CG2 3.99Å; V9-V33 HydrophobicContact CG1-CG1 4.06Å; V9-V33 HydrophobicContact CG1-CG2 3.81Å; V9-V33 HydrophobicContact CG2-CG2 3.73Å; V9-L47 HydrophobicContact CG1-CD2 3.46Å; V9-L47 VanDerWaalsContact CG1-CD2 3.46Å; V9-L47 HydrophobicContact CG2-CD2 4.33Å; V9-F78 WeakPolarHBondContact CA-O 3.41Å; V9-F78 HydrophobicContact CG2-CB 4.32Å; V9-F80 HydrophobicContact CG1-CB 3.96Å |
| 10 | T | 88.8 | Confident | 83.5 | Confident | 33 Ų | 33 | 66.1 Ų | 66.1 | 20% | 0.202 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 121.8 | 174.2 | -50.8 | 0 | 0 | 0 | 0 | 108.9 | E15 F78 K79 F80 | T10-E15 HydrophobicContact CG2-CG 4.15Å; T10-E15 VanDerWaalsContact CG2-OE1 3.32Å; T10-E15 WeakPolarHBondContact CG2-OE1 3.4Å; T10-E15 PolarHBondContact OG1-OE1 2.6Å; T10-F78 PolarHBondContact N-O 3.28Å; T10-K79 WeakPolarHBondContact O-CA 3.29Å; T10-F80 PolarHBondContact O-N 2.7Å |
| 11 | T | 83.4 | Confident | 83.8 | Confident | 1 Ų | 1 | 68.8 Ų | 68.8 | 1% | 0.006 | 36% | 0.36 | C | S | . | . | trans | -86.6 | -130.5 | 171 | 63.4 | 0 | 0 | 0 | 0 | 109.2 | D13 A14 V37 F80 R81 | T11-D13 WeakPolarHBondContact CB-OD1 3.22Å; T11-D13 PolarHBondContact OG1-N 3.1Å; T11-D13 PolarHBondContact OG1-OD1 3Å; T11-A14 PolarHBondContact N-O 3.43Å; T11-A14 PolarHBondContact OG1-N 3.49Å; T11-A14 PolarHBondContact OG1-O 2.63Å; T11-A14 VanDerWaalsContact OG1-O 3.07Å; T11-V37 HydrophobicContact CG2-CG2 4.2Å; T11-F80 HydrophobicContact CG2-CB 4Å; T11-F80 HydrophobicContact CG2-CD1 4.28Å; T11-F80 HydrophobicContact CG2-CG 4.38Å; T11-R81 PolarHBondContact O-NH1 3.08Å | ||
| 12 | M | 75.3 | Confident | 85.1 | Confident | 51 Ų | 51 | 59.9 Ų | 59.9 | 25% | 0.251 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -111.6 | -18.7 | 163.1 | -72.1 | -50.3 | -56.5 | 0 | 0 | 113.4 | R81 L101 L104 Q105 E109 | M12-R81 PolarHBondContact SD-NH2 2.78Å; M12-L101 HydrophobicContact CB-CD2 4.25Å; M12-L101 HydrophobicContact CG-CD2 4.5Å; M12-L104 HydrophobicContact CB-CB 3.72Å; M12-L104 HydrophobicContact CB-CD1 3.89Å; M12-L104 HydrophobicContact CB-CG 4.46Å; M12-L104 HydrophobicContact CE-CB 4.27Å; M12-L104 HydrophobicContact CG-CB 3.81Å; M12-Q105 VanDerWaalsContact CG-CA 3.49Å; M12-Q105 HydrophobicContact CG-CB 3.4Å; M12-Q105 HydrophobicContact CG-CG 3.78Å; M12-Q105 HydrophobicContact SD-CB 4.02Å; M12-Q105 HydrophobicContact SD-CG 4.1Å; M12-E109 VanDerWaalsContact CE-CD 3.47Å; M12-E109 HydrophobicContact CE-CG 3.71Å |
| 13 | D | 72.1 | Confident | 86.1 | Confident | 63 Ų | 63 | 57.8 Ų | 57.8 | 34% | 0.337 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -129 | -10 | -164.6 | 53.3 | -16.3 | 0 | 0 | 0 | 112.5 | T11 R100 L104 | T11-D13 WeakPolarHBondContact CB-OD1 3.22Å; T11-D13 PolarHBondContact OG1-N 3.1Å; T11-D13 PolarHBondContact OG1-OD1 3Å; D13-R100 IonicContact OD2-NE 3.13Å; D13-L104 HydrophobicContact CB-CD1 4.45Å |
| 14 | A | 80.8 | Confident | 86.7 | Confident | 41 Ų | 41 | 50 Ų | 50 | 34% | 0.339 | 28% | 0.275 | S | S | . | . | trans | -146.8 | 154.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | T11 L16 | T11-A14 PolarHBondContact N-O 3.43Å; T11-A14 PolarHBondContact OG1-N 3.49Å; T11-A14 PolarHBondContact OG1-O 2.63Å; T11-A14 VanDerWaalsContact OG1-O 3.07Å; A14-L16 HydrophobicContact CB-CD2 4.25Å | ||
| 15 | E | 87.3 | Confident | 87.1 | Confident | 104 Ų | 104 | 47.7 Ų | 47.7 | 49% | 0.486 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 122 | 158.1 | -57.8 | -143.2 | 122.4 | 0 | 0 | 108.5 | R8 T10 | R8-E15 WeakPolarHBondContact CD-OE2 3.22Å; R8-E15 IonicContact CZ-OE2 2.7Å; R8-E15 IonicContact NE-OE2 3.47Å; R8-E15 IonicContact NH1-OE2 2.63Å; R8-E15 PolarHBondContact NH1-OE2 3.06Å; T10-E15 HydrophobicContact CG2-CG 4.15Å; T10-E15 VanDerWaalsContact CG2-OE1 3.32Å; T10-E15 WeakPolarHBondContact CG2-OE1 3.4Å; T10-E15 PolarHBondContact OG1-OE1 2.6Å |
| 16 | L | 88.5 | Confident | 87.3 | Confident | 27 Ų | 27 | 45.7 Ų | 45.7 | 14% | 0.141 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 108.6 | 179.2 | -56.7 | -178.6 | 0 | 0 | 0 | 109.4 | R8 V9 A14 F18 V33 T36 V37 | R8-L16 WeakPolarHBondContact CA-O 3.25Å; V9-L16 HydrophobicContact CB-CB 4.41Å; V9-L16 PolarHBondContact N-O 3.06Å; V9-L16 PolarHBondContact O-N 3.11Å; A14-L16 HydrophobicContact CB-CD2 4.25Å; L16-F18 HydrophobicContact CB-CD1 4.28Å; L16-F18 HydrophobicContact CB-CE1 4.04Å; L16-V33 HydrophobicContact CD1-CG1 4.26Å; L16-T36 HydrophobicContact CD1-CG2 3.9Å; L16-T36 HydrophobicContact CD2-CG2 3.79Å; L16-T36 HydrophobicContact CG-CG2 4.5Å; L16-V37 HydrophobicContact CD1-CG2 4.19Å |
| 17 | E | 90.8 | Very high | 87.3 | Confident | 112 Ų | 112 | 46.9 Ų | 46.9 | 52% | 0.523 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 127.1 | 173 | -64.8 | -153.9 | 135.2 | 0 | 0 | 111.7 | V7 R8 | V7-E17 WeakPolarHBondContact O-CA 3.46Å; R8-E17 HydrophobicContact CB-CG 4.21Å; R8-E17 HydrophobicContact CG-CG 4.1Å; R8-E17 IonicContact CZ-OE1 2.68Å; R8-E17 IonicContact NE-OE1 2.69Å; R8-E17 PolarHBondContact NE-OE1 3.17Å; R8-E17 IonicContact NH2-OE1 2.69Å; R8-E17 PolarHBondContact NH2-OE1 3.14Å |
| 18 | F | 90.3 | Very high | 87.3 | Confident | 36 Ų | 36 | 51.8 Ų | 51.8 | 16% | 0.158 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 161.1 | 174.7 | 52.1 | -87.5 | 0 | 0 | 0 | 112.6 | V7 V9 L16 I20 L29 Q32 V33 | V7-F18 PolarHBondContact N-O 2.79Å; V7-F18 PolarHBondContact O-N 3.37Å; V9-F18 HydrophobicContact CG2-CE1 4.22Å; V9-F18 HydrophobicContact CG2-CZ 4.2Å; L16-F18 HydrophobicContact CB-CD1 4.28Å; L16-F18 HydrophobicContact CB-CE1 4.04Å; F18-I20 HydrophobicContact CD2-CG2 4Å; F18-I20 HydrophobicContact CE2-CG2 3.91Å; F18-L29 HydrophobicContact CE2-CD1 3.44Å; F18-L29 VanDerWaalsContact CE2-CD1 3.44Å; F18-L29 HydrophobicContact CZ-CD1 3.47Å; F18-L29 VanDerWaalsContact CZ-CD1 3.47Å; F18-Q32 VanDerWaalsContact CD2-NE2 3.29Å; F18-Q32 HydrophobicContact CE2-CB 4.48Å; F18-Q32 HydrophobicContact CE2-CG 4.07Å; F18-Q32 HydrophobicContact CZ-CB 4.48Å; F18-Q32 HydrophobicContact CZ-CG 4.12Å; F18-V33 HydrophobicContact CE1-CG2 4.31Å; F18-V33 HydrophobicContact CZ-CG2 3.99Å |
| 19 | A | 90.3 | Very high | 87.2 | Confident | 57 Ų | 57 | 48.5 Ų | 48.5 | 47% | 0.471 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 129.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | P4 I5 | P4-A19 HydrophobicContact CB-CB 3.95Å; I5-A19 WeakPolarHBondContact O-CA 3.04Å |
| 20 | I | 89.1 | Confident | 87.3 | Confident | 7 Ų | 7 | 48.9 Ų | 48.9 | 4% | 0.036 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 161.6 | 169.4 | 71.4 | 170.8 | 0 | 0 | 0 | 111.5 | I5 V7 F18 T24 L29 V65 | I5-I20 HydrophobicContact CB-CG1 4.01Å; I5-I20 PolarHBondContact N-O 3.24Å; I5-I20 PolarHBondContact O-N 2.62Å; V7-I20 HydrophobicContact CG2-CB 4.41Å; V7-I20 HydrophobicContact CG2-CD1 3.76Å; V7-I20 HydrophobicContact CG2-CG1 3.72Å; V7-I20 HydrophobicContact CG2-CG2 3.94Å; F18-I20 HydrophobicContact CD2-CG2 4Å; F18-I20 HydrophobicContact CE2-CG2 3.91Å; I20-T24 HydrophobicContact CB-CG2 4.08Å; I20-T24 HydrophobicContact CD1-CG2 4.37Å; I20-T24 HydrophobicContact CG2-CG2 4.29Å; I20-L29 HydrophobicContact CG2-CD1 4.16Å; I20-V65 HydrophobicContact CD1-CB 3.93Å; I20-V65 HydrophobicContact CD1-CG1 4.11Å; I20-V65 HydrophobicContact CD1-CG2 3.98Å |
| 21 | Q | 89.1 | Confident | 87.4 | Confident | 123 Ų | 123 | 49.6 Ų | 49.6 | 58% | 0.575 | 27% | 0.265 | S | S | * | . | trans | -84.9 | 153 | 171.3 | -61 | -173.6 | 6.9 | 0 | 0 | 110.7 | S23 T24 | Q21-S23 WeakPolarHBondContact CB-OG 2.98Å; Q21-S23 PolarHBondContact O-N 2.76Å; Q21-S23 PolarHBondContact OE1-OG 2.75Å; Q21-S23 VanDerWaalsContact OE1-OG 3.12Å; Q21-T24 PolarHBondContact N-OG1 2.72Å; Q21-T24 VanDerWaalsContact N-OG1 3.11Å; Q21-T24 VanDerWaalsContact O-CB 3.22Å; Q21-T24 WeakPolarHBondContact O-CB 3.21Å; Q21-T24 PolarHBondContact O-N 2.74Å; Q21-T24 PolarHBondContact O-OG1 3.01Å; Q21-T24 VanDerWaalsContact O-OG1 3.09Å | ||
| 22 | P | 85.2 | Confident | 87.7 | Confident | 47 Ų | 47 | 53.3 Ų | 53.3 | 31% | 0.305 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -17.7 | 173.9 | -25.2 | 35.2 | 0 | 0 | 0 | 114.7 | P2 K3 I5 T66 | P2-P22 HydrophobicContact CB-CG 4.2Å; K3-P22 WeakPolarHBondContact O-CD 3.47Å; K3-P22 VanDerWaalsContact O-CG 3.25Å; K3-P22 WeakPolarHBondContact O-CG 2.84Å; I5-P22 HydrophobicContact CD1-CB 4.25Å; I5-P22 HydrophobicContact CD1-CG 4.14Å; I5-P22 HydrophobicContact CG1-CG 4.38Å; P22-T66 HydrophobicContact CB-CG2 4.35Å; P22-T66 PolarHBondContact O-OG1 3.24Å |
| 23 | S | 86.8 | Confident | 88.5 | Confident | 53 Ų | 53 | 50.9 Ų | 50.9 | 37% | 0.371 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -22.1 | 173.7 | 43.7 | 0 | 0 | 0 | 0 | 114.1 | Q21 | Q21-S23 WeakPolarHBondContact CB-OG 2.98Å; Q21-S23 PolarHBondContact O-N 2.76Å; Q21-S23 PolarHBondContact OE1-OG 2.75Å; Q21-S23 VanDerWaalsContact OE1-OG 3.12Å |
| 24 | T | 88.9 | Confident | 89.4 | Confident | 16 Ų | 16 | 48.2 Ų | 48.2 | 10% | 0.098 | 26% | 0.257 | C | S | . | . | trans | -59.9 | 131.8 | -168.3 | -63.2 | 0 | 0 | 0 | 0 | 112.6 | I20 Q21 Q28 L29 K64 V65 | I20-T24 HydrophobicContact CB-CG2 4.08Å; I20-T24 HydrophobicContact CD1-CG2 4.37Å; I20-T24 HydrophobicContact CG2-CG2 4.29Å; Q21-T24 PolarHBondContact N-OG1 2.72Å; Q21-T24 VanDerWaalsContact N-OG1 3.11Å; Q21-T24 VanDerWaalsContact O-CB 3.22Å; Q21-T24 WeakPolarHBondContact O-CB 3.21Å; Q21-T24 PolarHBondContact O-N 2.74Å; Q21-T24 PolarHBondContact O-OG1 3.01Å; Q21-T24 VanDerWaalsContact O-OG1 3.09Å; T24-Q28 HydrophobicContact CG2-CB 3.79Å; T24-L29 HydrophobicContact CG2-CB 4.46Å; T24-K64 WeakPolarHBondContact O-CA 3.5Å; T24-V65 PolarHBondContact O-N 3.2Å | ||
| 25 | T | 92.1 | Very high | 89.8 | Confident | 43 Ų | 43 | 54.4 Ų | 54.4 | 26% | 0.264 | 28% | 0.276 | S | S | . | . | B | Isolated β-bridge | trans | -81.2 | 157 | 175.7 | 66.8 | 0 | 0 | 0 | 0 | 111.7 | K27 Q28 L29 | T25-K27 PolarHBondContact O-N 2.88Å; T25-Q28 PolarHBondContact O-N 2.8Å; T25-Q28 VanDerWaalsContact O-N 3.14Å; T25-Q28 WeakPolarHBondContact OG1-CG 3.39Å; T25-Q28 PolarHBondContact OG1-N 2.75Å; T25-Q28 VanDerWaalsContact OG1-N 3.12Å; T25-Q28 PolarHBondContact OG1-OE1 3.11Å; T25-L29 PolarHBondContact O-N 3.46Å; T25-L29 VanDerWaalsContact O-N 3.08Å |
| 26 | G | 89.2 | Confident | 89.9 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.7 | -31.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | F30 L61 K63 | G26-F30 VanDerWaalsContact O-CB 3.23Å; G26-F30 WeakPolarHBondContact O-CB 3.28Å; G26-F30 PolarHBondContact O-N 2.86Å; G26-L61 PolarHBondContact N-O 3.15Å; G26-K63 PolarHBondContact N-O 2.89Å |
| 27 | K | 90.9 | Very high | 89.7 | Confident | 100 Ų | 100 | 53.9 Ų | 53.9 | 44% | 0.435 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.6 | -48.8 | 172.9 | -159.7 | -161.8 | -178.1 | -59.4 | 0 | 111.2 | T25 L29 F30 D31 L61 | T25-K27 PolarHBondContact O-N 2.88Å; K27-L29 PolarHBondContact O-N 3.18Å; K27-F30 PolarHBondContact O-N 2.87Å; K27-D31 IonicContact NZ-OD1 2.7Å; K27-D31 PolarHBondContact NZ-OD1 2.61Å; K27-D31 IonicContact NZ-OD2 3.21Å; K27-D31 PolarHBondContact NZ-OD2 3.32Å; K27-D31 VanDerWaalsContact O-CB 3.28Å; K27-D31 WeakPolarHBondContact O-CB 3.45Å; K27-D31 PolarHBondContact O-N 2.91Å; K27-L61 HydrophobicContact CB-CB 3.97Å; K27-L61 HydrophobicContact CG-CB 4.41Å; K27-L61 PolarHBondContact N-O 3.38Å |
| 28 | Q | 90.8 | Very high | 89.5 | Confident | 104 Ų | 104 | 50.6 Ų | 50.6 | 49% | 0.486 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.5 | -41.9 | 179.1 | -75.5 | 168.1 | -33.9 | 0 | 0 | 112.5 | T24 T25 Q32 | T24-Q28 HydrophobicContact CG2-CB 3.79Å; T25-Q28 PolarHBondContact O-N 2.8Å; T25-Q28 VanDerWaalsContact O-N 3.14Å; T25-Q28 WeakPolarHBondContact OG1-CG 3.39Å; T25-Q28 PolarHBondContact OG1-N 2.75Å; T25-Q28 VanDerWaalsContact OG1-N 3.12Å; T25-Q28 PolarHBondContact OG1-OE1 3.11Å; Q28-Q32 WeakPolarHBondContact O-CB 3.36Å; Q28-Q32 PolarHBondContact O-N 3.03Å; Q28-Q32 VanDerWaalsContact O-N 3.11Å |
| 29 | L | 90.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.9 | -44.9 | 174.6 | 173 | 58.1 | 0 | 0 | 0 | 111.4 | V7 V9 F18 I20 T24 T25 K27 V33 L47 L59 V65 F78 | V7-L29 HydrophobicContact CG1-CD1 3.98Å; V7-L29 HydrophobicContact CG1-CD2 4.37Å; V9-L29 HydrophobicContact CG2-CD1 4.3Å; F18-L29 HydrophobicContact CE2-CD1 3.44Å; F18-L29 VanDerWaalsContact CE2-CD1 3.44Å; F18-L29 HydrophobicContact CZ-CD1 3.47Å; F18-L29 VanDerWaalsContact CZ-CD1 3.47Å; I20-L29 HydrophobicContact CG2-CD1 4.16Å; T24-L29 HydrophobicContact CG2-CB 4.46Å; T25-L29 PolarHBondContact O-N 3.46Å; T25-L29 VanDerWaalsContact O-N 3.08Å; K27-L29 PolarHBondContact O-N 3.18Å; L29-V33 WeakPolarHBondContact O-CG2 3.33Å; L29-V33 PolarHBondContact O-N 3.23Å; L29-L47 HydrophobicContact CD2-CD1 4.03Å; L29-L47 HydrophobicContact CG-CD1 3.75Å; L29-L59 HydrophobicContact CD2-CD2 3.91Å; L29-V65 HydrophobicContact CB-CG2 4.22Å; L29-V65 HydrophobicContact CD2-CG1 4.31Å; L29-V65 HydrophobicContact CD2-CG2 3.84Å; L29-F78 HydrophobicContact CD2-CD2 4.41Å; L29-F78 HydrophobicContact CD2-CE1 4.44Å; L29-F78 HydrophobicContact CD2-CE2 4.12Å; L29-F78 HydrophobicContact CD2-CZ 4.16Å |
| 30 | F | 92.7 | Very high | 89.3 | Confident | 9 Ų | 9 | 52.5 Ų | 52.5 | 4% | 0.039 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.2 | -46.7 | 178.3 | 179 | -84.4 | 0 | 0 | 0 | 112.6 | G26 K27 Q32 V33 V34 V42 F45 L47 L61 F80 | G26-F30 VanDerWaalsContact O-CB 3.23Å; G26-F30 WeakPolarHBondContact O-CB 3.28Å; G26-F30 PolarHBondContact O-N 2.86Å; K27-F30 PolarHBondContact O-N 2.87Å; F30-Q32 PolarHBondContact O-N 3.46Å; F30-V33 PolarHBondContact O-N 3.19Å; F30-V33 VanDerWaalsContact O-N 3.13Å; F30-V34 HydrophobicContact CD1-CG1 4.15Å; F30-V34 HydrophobicContact CD1-CG2 4.48Å; F30-V34 HydrophobicContact CE1-CG1 3.63Å; F30-V34 HydrophobicContact CE1-CG2 4.27Å; F30-V34 HydrophobicContact CE2-CG1 4.2Å; F30-V34 HydrophobicContact CZ-CG1 3.67Å; F30-V34 WeakPolarHBondContact O-CG2 3.21Å; F30-V34 PolarHBondContact O-N 2.92Å; F30-V42 HydrophobicContact CE1-CB 3.76Å; F30-V42 HydrophobicContact CE1-CG1 3.86Å; F30-V42 HydrophobicContact CZ-CB 4.03Å; F30-V42 HydrophobicContact CZ-CG1 4.37Å; F30-F45 HydrophobicContact CE2-CB 4.11Å; F30-F45 HydrophobicContact CZ-CB 4.22Å; F30-L47 HydrophobicContact CB-CD1 4.11Å; F30-L47 HydrophobicContact CD2-CD1 4.41Å; F30-L47 HydrophobicContact CD2-CG 4.29Å; F30-L61 HydrophobicContact CB-CD2 3.71Å; F30-L61 HydrophobicContact CD2-CD2 4.25Å; F30-L61 HydrophobicContact CG-CD2 3.94Å; F30-F80 HydrophobicContact CD2-CE2 4.26Å; F30-F80 AromaticContact CE2-CE2 3.74Å; F30-F80 HydrophobicContact CE2-CE2 3.74Å; F30-F80 HydrophobicContact CZ-CE2 4.34Å |
| 31 | D | 91.4 | Very high | 89.2 | Confident | 47 Ų | 47 | 52.1 Ų | 52.1 | 25% | 0.251 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -56.8 | -35.2 | 177.2 | -70.6 | -12.1 | 0 | 0 | 0 | 111.5 | K27 K35 | K27-D31 IonicContact NZ-OD1 2.7Å; K27-D31 PolarHBondContact NZ-OD1 2.61Å; K27-D31 IonicContact NZ-OD2 3.21Å; K27-D31 PolarHBondContact NZ-OD2 3.32Å; K27-D31 VanDerWaalsContact O-CB 3.28Å; K27-D31 WeakPolarHBondContact O-CB 3.45Å; K27-D31 PolarHBondContact O-N 2.91Å; D31-K35 WeakPolarHBondContact O-CB 3.34Å; D31-K35 WeakPolarHBondContact O-CG 3.48Å; D31-K35 PolarHBondContact O-N 2.93Å |
| 32 | Q | 90.4 | Very high | 89.2 | Confident | 80 Ų | 80 | 48.8 Ų | 48.8 | 37% | 0.374 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -68.9 | -48.1 | 175.9 | -176.4 | 169.7 | -5.1 | 0 | 0 | 111.5 | F18 Q28 F30 K35 T36 | F18-Q32 VanDerWaalsContact CD2-NE2 3.29Å; F18-Q32 HydrophobicContact CE2-CB 4.48Å; F18-Q32 HydrophobicContact CE2-CG 4.07Å; F18-Q32 HydrophobicContact CZ-CB 4.48Å; F18-Q32 HydrophobicContact CZ-CG 4.12Å; Q28-Q32 WeakPolarHBondContact O-CB 3.36Å; Q28-Q32 PolarHBondContact O-N 3.03Å; Q28-Q32 VanDerWaalsContact O-N 3.11Å; F30-Q32 PolarHBondContact O-N 3.46Å; Q32-K35 PolarHBondContact O-N 3Å; Q32-T36 PolarHBondContact O-N 3.4Å; Q32-T36 PolarHBondContact O-OG1 2.83Å |
| 33 | V | 90.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.8 | -52.2 | 178.3 | 172.7 | 0 | 0 | 0 | 0 | 111.3 | V9 L16 F18 L29 F30 K35 T36 V37 F80 | V9-V33 HydrophobicContact CB-CG2 3.99Å; V9-V33 HydrophobicContact CG1-CG1 4.06Å; V9-V33 HydrophobicContact CG1-CG2 3.81Å; V9-V33 HydrophobicContact CG2-CG2 3.73Å; L16-V33 HydrophobicContact CD1-CG1 4.26Å; F18-V33 HydrophobicContact CE1-CG2 4.31Å; F18-V33 HydrophobicContact CZ-CG2 3.99Å; L29-V33 WeakPolarHBondContact O-CG2 3.33Å; L29-V33 PolarHBondContact O-N 3.23Å; F30-V33 PolarHBondContact O-N 3.19Å; F30-V33 VanDerWaalsContact O-N 3.13Å; V33-K35 VanDerWaalsContact C-N 3.3Å; V33-K35 PolarHBondContact O-N 3.17Å; V33-T36 PolarHBondContact O-N 3.07Å; V33-V37 WeakPolarHBondContact O-CG2 3.36Å; V33-V37 PolarHBondContact O-N 3.48Å; V33-F80 HydrophobicContact CG1-CD2 3.67Å; V33-F80 HydrophobicContact CG1-CE2 3.96Å; V33-F80 HydrophobicContact CG1-CG 4.15Å |
| 34 | V | 91 | Very high | 89.4 | Confident | 6 Ų | 6 | 46.8 Ų | 46.8 | 4% | 0.036 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.2 | -32 | -175.9 | -57.9 | 0 | 0 | 0 | 0 | 112.3 | F30 V37 G38 L39 V42 F80 | F30-V34 HydrophobicContact CD1-CG1 4.15Å; F30-V34 HydrophobicContact CD1-CG2 4.48Å; F30-V34 HydrophobicContact CE1-CG1 3.63Å; F30-V34 HydrophobicContact CE1-CG2 4.27Å; F30-V34 HydrophobicContact CE2-CG1 4.2Å; F30-V34 HydrophobicContact CZ-CG1 3.67Å; F30-V34 WeakPolarHBondContact O-CG2 3.21Å; F30-V34 PolarHBondContact O-N 2.92Å; V34-V37 PolarHBondContact O-N 2.69Å; V34-G38 PolarHBondContact O-N 3.33Å; V34-L39 HydrophobicContact CB-CB 4.35Å; V34-L39 HydrophobicContact CB-CD2 4.48Å; V34-L39 HydrophobicContact CG1-CD2 4.29Å; V34-L39 PolarHBondContact O-N 3.01Å; V34-V42 HydrophobicContact CB-CG1 4.18Å; V34-V42 HydrophobicContact CG1-CG1 4.2Å; V34-V42 HydrophobicContact CG2-CG1 3.83Å; V34-F80 HydrophobicContact CG1-CE2 3.74Å; V34-F80 HydrophobicContact CG1-CZ 3.79Å |
| 35 | K | 89.6 | Confident | 89.4 | Confident | 172 Ų | 172 | 46.7 Ų | 46.7 | 75% | 0.748 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -67.2 | -42.1 | 171.9 | -78.1 | 179 | 177.9 | -170.9 | 0 | 112.9 | D31 Q32 V33 V37 G38 | D31-K35 WeakPolarHBondContact O-CB 3.34Å; D31-K35 WeakPolarHBondContact O-CG 3.48Å; D31-K35 PolarHBondContact O-N 2.93Å; Q32-K35 PolarHBondContact O-N 3Å; V33-K35 VanDerWaalsContact C-N 3.3Å; V33-K35 PolarHBondContact O-N 3.17Å; K35-V37 VanDerWaalsContact C-N 3.26Å; K35-V37 PolarHBondContact O-N 3.49Å; K35-G38 PolarHBondContact O-N 2.82Å |
| 36 | T | 88.5 | Confident | 89.3 | Confident | 93 Ų | 93 | 45 Ų | 45 | 57% | 0.571 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -64.9 | -31.3 | 175.5 | -62.2 | 0 | 0 | 0 | 0 | 112.3 | L16 Q32 V33 | L16-T36 HydrophobicContact CD1-CG2 3.9Å; L16-T36 HydrophobicContact CD2-CG2 3.79Å; L16-T36 HydrophobicContact CG-CG2 4.5Å; Q32-T36 PolarHBondContact O-N 3.4Å; Q32-T36 PolarHBondContact O-OG1 2.83Å; V33-T36 PolarHBondContact O-N 3.07Å |
| 37 | V | 86.1 | Confident | 89.4 | Confident | 27 Ų | 27 | 45.1 Ų | 45.1 | 16% | 0.164 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -86.5 | -11.6 | 177.8 | 176.1 | 0 | 0 | 0 | 0 | 112.9 | T11 L16 V33 V34 K35 L39 I97 L101 | T11-V37 HydrophobicContact CG2-CG2 4.2Å; L16-V37 HydrophobicContact CD1-CG2 4.19Å; V33-V37 WeakPolarHBondContact O-CG2 3.36Å; V33-V37 PolarHBondContact O-N 3.48Å; V34-V37 PolarHBondContact O-N 2.69Å; K35-V37 VanDerWaalsContact C-N 3.26Å; K35-V37 PolarHBondContact O-N 3.49Å; V37-L39 VanDerWaalsContact C-N 3.31Å; V37-L39 HydrophobicContact CG1-CB 4.23Å; V37-I97 HydrophobicContact CG1-CD1 4.08Å; V37-I97 HydrophobicContact CG1-CG1 3.6Å; V37-L101 HydrophobicContact CG1-CD1 4.12Å |
| 38 | G | 86.7 | Confident | 89.3 | Confident | 43 Ų | 43 | 43 Ų | 43 | 44% | 0.443 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76 | 14.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | V34 K35 Q95 | V34-G38 PolarHBondContact O-N 3.33Å; K35-G38 PolarHBondContact O-N 2.82Å; G38-Q95 PolarHBondContact O-NE2 2.94Å |
| 39 | L | 88.7 | Confident | 89.3 | Confident | 6 Ų | 6 | 38.9 Ų | 38.9 | 3% | 0.031 | 20% | 0.198 | C | C | . | . | trans | -88.9 | 123.7 | -173.1 | -169.3 | 144.6 | 0 | 0 | 0 | 111.8 | V34 V37 V42 F45 I97 L101 | V34-L39 HydrophobicContact CB-CB 4.35Å; V34-L39 HydrophobicContact CB-CD2 4.48Å; V34-L39 HydrophobicContact CG1-CD2 4.29Å; V34-L39 PolarHBondContact O-N 3.01Å; V37-L39 VanDerWaalsContact C-N 3.31Å; V37-L39 HydrophobicContact CG1-CB 4.23Å; L39-V42 HydrophobicContact CD2-CG1 4.33Å; L39-F45 HydrophobicContact CD1-CD2 4.07Å; L39-F45 HydrophobicContact CD1-CE1 4.46Å; L39-F45 HydrophobicContact CD1-CE2 3.58Å; L39-F45 HydrophobicContact CD1-CZ 3.8Å; L39-F45 HydrophobicContact CD2-CD2 3.88Å; L39-F45 HydrophobicContact CD2-CE2 4.07Å; L39-F45 HydrophobicContact CG-CE2 4.41Å; L39-I97 HydrophobicContact CB-CG2 4.4Å; L39-L101 HydrophobicContact CD1-CD1 3.7Å | ||
| 40 | R | 87.1 | Confident | 89.1 | Confident | 126 Ų | 126 | 41.9 Ų | 41.9 | 48% | 0.475 | 22% | 0.216 | S | C | . | . | trans | -102.4 | -25.3 | 176.7 | -57.7 | -178.3 | -174.8 | 166.4 | 5.1 | 112.5 | V42 M306 | R40-V42 PolarHBondContact O-N 2.67Å; R40-M306 HydrophobicContact CB-CE 3.64Å; R40-M306 HydrophobicContact CB-SD 3.7Å; R40-M306 HydrophobicContact CG-SD 4.47Å | ||
| 41 | E | 87.3 | Confident | 88.8 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -75.6 | 47.9 | 179.4 | -62.3 | 173.7 | 86.6 | 0 | 0 | 113.3 | W43 F44 I94 Q95 T98 M306 | E41-W43 HydrophobicContact CB-CH2 4.41Å; E41-W43 HydrophobicContact CB-CZ2 3.94Å; E41-W43 HydrophobicContact CG-CH2 4.22Å; E41-W43 HydrophobicContact CG-CZ2 3.83Å; E41-W43 PolarHBondContact O-N 3.17Å; E41-F44 HydrophobicContact CB-CD2 4.27Å; E41-F44 PolarHBondContact O-N 3.01Å; E41-I94 PolarHBondContact OE1-N 3.44Å; E41-I94 PolarHBondContact OE2-N 2.93Å; E41-Q95 HydrophobicContact CG-CG 4.49Å; E41-Q95 VanDerWaalsContact OE2-CB 3.28Å; E41-Q95 WeakPolarHBondContact OE2-CB 3.41Å; E41-Q95 WeakPolarHBondContact OE2-CG 3.36Å; E41-Q95 PolarHBondContact OE2-N 3.45Å; E41-T98 HydrophobicContact CB-CG2 4.24Å; E41-T98 WeakPolarHBondContact OE2-CB 3.29Å; E41-T98 WeakPolarHBondContact OE2-CG2 3.42Å; E41-T98 PolarHBondContact OE2-OG1 3.46Å; E41-M306 HydrophobicContact CG-CE 3.49Å; E41-M306 VanDerWaalsContact CG-CE 3.49Å | ||
| 42 | V | 88.9 | Confident | 88.3 | Confident | 53 Ų | 53 | 42.4 Ų | 42.4 | 32% | 0.321 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -57.3 | -25.1 | -169.3 | -68.6 | 0 | 0 | 0 | 0 | 114.7 | F30 V34 L39 R40 F44 F45 | F30-V42 HydrophobicContact CE1-CB 3.76Å; F30-V42 HydrophobicContact CE1-CG1 3.86Å; F30-V42 HydrophobicContact CZ-CB 4.03Å; F30-V42 HydrophobicContact CZ-CG1 4.37Å; V34-V42 HydrophobicContact CB-CG1 4.18Å; V34-V42 HydrophobicContact CG1-CG1 4.2Å; V34-V42 HydrophobicContact CG2-CG1 3.83Å; L39-V42 HydrophobicContact CD2-CG1 4.33Å; R40-V42 PolarHBondContact O-N 2.67Å; V42-F44 VanDerWaalsContact C-N 3.28Å; V42-F44 PolarHBondContact O-N 3.43Å; V42-F45 PolarHBondContact O-N 2.91Å; V42-F45 VanDerWaalsContact O-N 3.15Å |
| 43 | W | 87.9 | Confident | 87.8 | Confident | 58 Ų | 58 | 45.1 Ų | 45.1 | 22% | 0.22 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -68 | -21.9 | -171.7 | 48.4 | 78.3 | 0 | 0 | 0 | 114.3 | E41 F84 L291 V303 M306 | E41-W43 HydrophobicContact CB-CH2 4.41Å; E41-W43 HydrophobicContact CB-CZ2 3.94Å; E41-W43 HydrophobicContact CG-CH2 4.22Å; E41-W43 HydrophobicContact CG-CZ2 3.83Å; E41-W43 PolarHBondContact O-N 3.17Å; W43-F84 WeakPolarHBondContact O-CD2 3.44Å; W43-L291 HydrophobicContact CB-CD2 4.08Å; W43-L291 HydrophobicContact CG-CD2 4.26Å; W43-V303 HydrophobicContact CH2-CG2 3.91Å; W43-V303 HydrophobicContact CZ2-CG2 4.4Å; W43-M306 HydrophobicContact CH2-CE 4.26Å |
| 44 | F | 87.8 | Confident | 87.1 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -77.3 | -24.7 | 173.8 | -66.2 | -59.5 | 0 | 0 | 0 | 113.4 | E41 V42 A82 K83 F84 P86 E92 L93 T98 F102 | E41-F44 HydrophobicContact CB-CD2 4.27Å; E41-F44 PolarHBondContact O-N 3.01Å; V42-F44 VanDerWaalsContact C-N 3.28Å; V42-F44 PolarHBondContact O-N 3.43Å; F44-A82 CarbonylContact O-C 3.56Å; F44-A82 WeakPolarHBondContact O-CA 3.29Å; F44-K83 PolarHBondContact O-N 3.24Å; F44-F84 PolarHBondContact O-N 2.85Å; F44-P86 HydrophobicContact CE1-CB 4.28Å; F44-P86 HydrophobicContact CZ-CB 4.32Å; F44-E92 HydrophobicContact CZ-CB 4.23Å; F44-L93 HydrophobicContact CD2-CD2 4.32Å; F44-L93 HydrophobicContact CE2-CD2 3.82Å; F44-L93 HydrophobicContact CZ-CD2 4.14Å; F44-T98 HydrophobicContact CD2-CG2 4.42Å; F44-F102 HydrophobicContact CB-CE2 3.84Å; F44-F102 HydrophobicContact CB-CZ 3.74Å; F44-F102 HydrophobicContact CD1-CE2 4.43Å; F44-F102 AromaticContact CD1-CZ 3.98Å; F44-F102 HydrophobicContact CD1-CZ 3.98Å; F44-F102 AromaticContact CD2-CE2 3.93Å; F44-F102 HydrophobicContact CD2-CE2 3.93Å; F44-F102 HydrophobicContact CD2-CZ 4.3Å; F44-F102 AromaticContact CG-CE2 3.82Å; F44-F102 HydrophobicContact CG-CE2 3.82Å; F44-F102 AromaticContact CG-CZ 3.76Å; F44-F102 HydrophobicContact CG-CZ 3.76Å |
| 45 | F | 89.6 | Confident | 86.5 | Confident | 13 Ų | 13 | 52.8 Ų | 52.8 | 6% | 0.057 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 160.5 | -161.9 | -64.3 | -92.8 | 0 | 0 | 0 | 114.9 | F30 L39 V42 F80 A82 T98 L101 F102 | F30-F45 HydrophobicContact CE2-CB 4.11Å; F30-F45 HydrophobicContact CZ-CB 4.22Å; L39-F45 HydrophobicContact CD1-CD2 4.07Å; L39-F45 HydrophobicContact CD1-CE1 4.46Å; L39-F45 HydrophobicContact CD1-CE2 3.58Å; L39-F45 HydrophobicContact CD1-CZ 3.8Å; L39-F45 HydrophobicContact CD2-CD2 3.88Å; L39-F45 HydrophobicContact CD2-CE2 4.07Å; L39-F45 HydrophobicContact CG-CE2 4.41Å; V42-F45 PolarHBondContact O-N 2.91Å; V42-F45 VanDerWaalsContact O-N 3.15Å; F45-F80 HydrophobicContact CB-CE1 3.99Å; F45-F80 HydrophobicContact CB-CE2 3.81Å; F45-F80 HydrophobicContact CB-CZ 3.4Å; F45-F80 VanDerWaalsContact CB-CZ 3.4Å; F45-F80 AromaticContact CD1-CD1 3.89Å; F45-F80 HydrophobicContact CD1-CD1 3.89Å; F45-F80 AromaticContact CD1-CE1 3.18Å; F45-F80 HydrophobicContact CD1-CE1 3.18Å; F45-F80 AromaticContact CD1-CZ 3.57Å; F45-F80 HydrophobicContact CD1-CZ 3.57Å; F45-F80 HydrophobicContact CD2-CZ 4.3Å; F45-F80 HydrophobicContact CE1-CD1 4.41Å; F45-F80 AromaticContact CE1-CE1 3.72Å; F45-F80 HydrophobicContact CE1-CE1 3.72Å; F45-F80 HydrophobicContact CE1-CZ 4.41Å; F45-F80 AromaticContact CG-CE1 3.65Å; F45-F80 HydrophobicContact CG-CE1 3.65Å; F45-F80 HydrophobicContact CG-CE2 4.37Å; F45-F80 AromaticContact CG-CZ 3.5Å; F45-F80 HydrophobicContact CG-CZ 3.5Å; F45-F80 VanDerWaalsContact CG-CZ 3.5Å; F45-A82 HydrophobicContact CD1-CB 4.05Å; F45-A82 HydrophobicContact CE1-CB 4.06Å; F45-T98 HydrophobicContact CE2-CG2 4.01Å; F45-T98 HydrophobicContact CZ-CG2 4.21Å; F45-L101 HydrophobicContact CE1-CB 4.09Å; F45-L101 HydrophobicContact CE1-CD1 4.2Å; F45-L101 HydrophobicContact CZ-CB 4.16Å; F45-L101 HydrophobicContact CZ-CD1 4.32Å; F45-F102 HydrophobicContact CE2-CE2 4.22Å; F45-F102 HydrophobicContact CZ-CD2 4.16Å; F45-F102 HydrophobicContact CZ-CE2 4.02Å |
| 46 | G | 90.1 | Very high | 86.1 | Confident | 9 Ų | 9 | 47 Ų | 47 | 9% | 0.093 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 170.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112 | R81 | G46-R81 PolarHBondContact N-O 2.63Å; G46-R81 PolarHBondContact O-N 2.92Å |
| 47 | L | 90.5 | Very high | 85.9 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 117.6 | 170.8 | -69.5 | 165.5 | 0 | 0 | 0 | 108.7 | V9 L29 F30 L59 F78 F80 | V9-L47 HydrophobicContact CG1-CD2 3.46Å; V9-L47 VanDerWaalsContact CG1-CD2 3.46Å; V9-L47 HydrophobicContact CG2-CD2 4.33Å; L29-L47 HydrophobicContact CD2-CD1 4.03Å; L29-L47 HydrophobicContact CG-CD1 3.75Å; F30-L47 HydrophobicContact CB-CD1 4.11Å; F30-L47 HydrophobicContact CD2-CD1 4.41Å; F30-L47 HydrophobicContact CD2-CG 4.29Å; L47-L59 HydrophobicContact CB-CB 3.97Å; L47-L59 HydrophobicContact CB-CD2 4.03Å; L47-L59 HydrophobicContact CD1-CD2 3.76Å; L47-L59 WeakPolarHBondContact O-CB 3.02Å; L47-L59 PolarHBondContact O-N 2.94Å; L47-F78 HydrophobicContact CB-CD1 4.17Å; L47-F78 HydrophobicContact CD2-CB 4.12Å; L47-F80 HydrophobicContact CD2-CB 4.22Å; L47-F80 HydrophobicContact CD2-CD2 3.98Å |
| 48 | Q | 89.3 | Confident | 86 | Confident | 57 Ų | 57 | 45.4 Ų | 45.4 | 27% | 0.266 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 138.1 | 172.8 | -171 | -172.8 | 81.8 | 0 | 0 | 109.3 | A56 T57 W58 F78 K79 | Q48-A56 HydrophobicContact CG-CB 4.37Å; Q48-T57 CarbonylContact C-O 3.54Å; Q48-T57 WeakPolarHBondContact CA-O 3.12Å; Q48-W58 HydrophobicContact CB-CD2 4.48Å; Q48-W58 HydrophobicContact CB-CE3 4Å; Q48-W58 HydrophobicContact CB-CH2 4.43Å; Q48-W58 HydrophobicContact CB-CZ3 3.97Å; Q48-F78 CarbonylContact O-C 3.54Å; Q48-F78 WeakPolarHBondContact O-CA 3.46Å; Q48-K79 PolarHBondContact N-O 2.72Å; Q48-K79 PolarHBondContact O-N 3.37Å |
| 49 | Y | 90.1 | Very high | 86.1 | Confident | 16 Ų | 16 | 44 Ų | 44 | 6% | 0.063 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 164.4 | 174.9 | 65.7 | -82.5 | 0 | 0 | 0 | 110.4 | D51 A56 T57 L59 Q68 V70 F78 | Y49-D51 HydrophobicContact CE2-CB 4.26Å; Y49-A56 WeakPolarHBondContact O-CA 3.42Å; Y49-T57 WeakPolarHBondContact CD1-O 3.32Å; Y49-T57 HydrophobicContact CE1-CG2 3.96Å; Y49-T57 WeakPolarHBondContact CE1-O 3.45Å; Y49-T57 HydrophobicContact CE2-CG2 4.39Å; Y49-T57 PolarHBondContact N-O 2.91Å; Y49-T57 PolarHBondContact O-N 3.25Å; Y49-T57 WeakPolarHBondContact OH-CG2 3.03Å; Y49-L59 HydrophobicContact CD1-CB 4.26Å; Y49-L59 HydrophobicContact CE1-CB 4.27Å; Y49-L59 HydrophobicContact CE1-CD1 4.36Å; Y49-Q68 WeakPolarHBondContact CE2-O 3.45Å; Y49-Q68 PolarHBondContact OH-O 3.21Å; Y49-V70 HydrophobicContact CD2-CB 3.97Å; Y49-V70 HydrophobicContact CD2-CG1 3.85Å; Y49-V70 HydrophobicContact CD2-CG2 3.78Å; Y49-V70 HydrophobicContact CE2-CB 4.23Å; Y49-V70 HydrophobicContact CE2-CG2 3.8Å; Y49-V70 HydrophobicContact CG-CG1 4.26Å; Y49-V70 HydrophobicContact CG-CG2 4.24Å; Y49-F78 HydrophobicContact CD1-CD1 4.36Å; Y49-F78 HydrophobicContact CD1-CE1 4.07Å; Y49-F78 HydrophobicContact CG-CD1 4.36Å; Y49-F78 HydrophobicContact CG-CE1 4.05Å |
| 50 | V | 87.7 | Confident | 86 | Confident | 63 Ų | 63 | 49.7 Ų | 49.7 | 38% | 0.382 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 126.8 | 170.7 | -174.7 | 0 | 0 | 0 | 0 | 108.4 | K71 | V50-K71 HydrophobicContact CG1-CD 4.4Å; V50-K71 VanDerWaalsContact O-CB 3.24Å; V50-K71 WeakPolarHBondContact O-CB 3.49Å; V50-K71 PolarHBondContact O-N 2.85Å |
| 51 | D | 84.9 | Confident | 86 | Confident | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | B | Isolated β-bridge | trans | -73.2 | 170 | 175.8 | 92.1 | -28.9 | 0 | 0 | 0 | 112 | Y49 K53 G54 Y55 D69 R276 | Y49-D51 HydrophobicContact CE2-CB 4.26Å; D51-K53 PolarHBondContact O-N 3.45Å; D51-K53 VanDerWaalsContact OD1-C 3.23Å; D51-K53 VanDerWaalsContact OD1-CA 3.31Å; D51-K53 WeakPolarHBondContact OD1-CA 3.18Å; D51-K53 WeakPolarHBondContact OD1-CB 3.32Å; D51-K53 PolarHBondContact OD1-N 2.94Å; D51-G54 PolarHBondContact O-N 3.5Å; D51-G54 PolarHBondContact OD1-N 3.03Å; D51-Y55 PolarHBondContact N-O 2.82Å; D51-Y55 PolarHBondContact OD1-N 3.5Å; D51-D69 CarbonylContact C-O 3.3Å; D51-D69 VanDerWaalsContact CA-O 3.31Å; D51-D69 WeakPolarHBondContact CA-O 3.38Å; D51-R276 IonicContact OD1-NH1 2.63Å; D51-R276 IonicContact OD2-CZ 3.92Å; D51-R276 IonicContact OD2-NH1 3.79Å; D51-R276 PolarHBondContact OD2-NH1 2.89Å; D51-R276 IonicContact OD2-NH2 3.69Å; D51-R276 PolarHBondContact OD2-NH2 3.01Å |
| 52 | S | 81.8 | Confident | 85.9 | Confident | 63 Ų | 63 | 54 Ų | 54 | 44% | 0.441 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -7.8 | 177.6 | 66.7 | 0 | 0 | 0 | 0 | 115.2 | D69 | S52-D69 WeakPolarHBondContact CB-OD1 3.47Å; S52-D69 PolarHBondContact N-O 2.64Å; S52-D69 PolarHBondContact OG-OD1 2.98Å; S52-D69 PolarHBondContact OG-OD2 2.92Å |
| 53 | K | 79 | Confident | 85.8 | Confident | 138 Ų | 138 | 57 Ų | 57 | 60% | 0.6 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.5 | 11.5 | -179.3 | -50.5 | -170.1 | -175.3 | -165.7 | 0 | 113 | D51 Y55 | D51-K53 PolarHBondContact O-N 3.45Å; D51-K53 VanDerWaalsContact OD1-C 3.23Å; D51-K53 VanDerWaalsContact OD1-CA 3.31Å; D51-K53 WeakPolarHBondContact OD1-CA 3.18Å; D51-K53 WeakPolarHBondContact OD1-CB 3.32Å; D51-K53 PolarHBondContact OD1-N 2.94Å; K53-Y55 HydrophobicContact CB-CD2 3.88Å; K53-Y55 HydrophobicContact CB-CE2 4.04Å; K53-Y55 VanDerWaalsContact O-CD2 3.29Å; K53-Y55 WeakPolarHBondContact O-CD2 3.03Å; K53-Y55 WeakPolarHBondContact O-CE2 3.18Å |
| 54 | G | 77.4 | Confident | 85.8 | Confident | 57 Ų | 57 | 58.4 Ų | 58.4 | 59% | 0.588 | 31% | 0.307 | S | S | * | . | S | Bend | trans | 86.5 | 6.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | D51 | D51-G54 PolarHBondContact O-N 3.5Å; D51-G54 PolarHBondContact OD1-N 3.03Å |
| 55 | Y | 77.4 | Confident | 85.7 | Confident | 110 Ų | 110 | 58.5 Ų | 58.5 | 43% | 0.431 | 31% | 0.307 | S | S | . | . | trans | -94.4 | 124.9 | -176.2 | -65.5 | -91.8 | 0 | 0 | 0 | 112.5 | D51 K53 T57 R274 R276 | D51-Y55 PolarHBondContact N-O 2.82Å; D51-Y55 PolarHBondContact OD1-N 3.5Å; K53-Y55 HydrophobicContact CB-CD2 3.88Å; K53-Y55 HydrophobicContact CB-CE2 4.04Å; K53-Y55 VanDerWaalsContact O-CD2 3.29Å; K53-Y55 WeakPolarHBondContact O-CD2 3.03Å; K53-Y55 WeakPolarHBondContact O-CE2 3.18Å; Y55-T57 PolarHBondContact O-N 2.82Å; Y55-T57 PolarHBondContact O-OG1 2.89Å; Y55-R274 PolarHBondContact OH-NH1 2.92Å; Y55-R276 VanDerWaalsContact CD2-NH1 3.3Å | ||
| 56 | A | 82 | Confident | 85.4 | Confident | 51 Ų | 51 | 61.2 Ų | 61.2 | 42% | 0.421 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 118.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q48 Y49 | Q48-A56 HydrophobicContact CG-CB 4.37Å; Y49-A56 WeakPolarHBondContact O-CA 3.42Å |
| 57 | T | 83.4 | Confident | 85.2 | Confident | 42 Ų | 42 | 67 Ų | 67 | 26% | 0.258 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 144.4 | -170.4 | -57.1 | 0 | 0 | 0 | 0 | 110.2 | Q48 Y49 Y55 | Q48-T57 CarbonylContact C-O 3.54Å; Q48-T57 WeakPolarHBondContact CA-O 3.12Å; Y49-T57 WeakPolarHBondContact CD1-O 3.32Å; Y49-T57 HydrophobicContact CE1-CG2 3.96Å; Y49-T57 WeakPolarHBondContact CE1-O 3.45Å; Y49-T57 HydrophobicContact CE2-CG2 4.39Å; Y49-T57 PolarHBondContact N-O 2.91Å; Y49-T57 PolarHBondContact O-N 3.25Å; Y49-T57 WeakPolarHBondContact OH-CG2 3.03Å; Y55-T57 PolarHBondContact O-N 2.82Å; Y55-T57 PolarHBondContact O-OG1 2.89Å |
| 58 | W | 88.5 | Confident | 84.7 | Confident | 44 Ų | 44 | 67.6 Ų | 67.6 | 17% | 0.167 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 134.3 | 177.4 | -66.7 | 105.1 | 0 | 0 | 0 | 111.8 | Q48 R81 A82 K83 | Q48-W58 HydrophobicContact CB-CD2 4.48Å; Q48-W58 HydrophobicContact CB-CE3 4Å; Q48-W58 HydrophobicContact CB-CH2 4.43Å; Q48-W58 HydrophobicContact CB-CZ3 3.97Å; W58-R81 HydrophobicContact CH2-CB 3.75Å; W58-R81 HydrophobicContact CZ3-CB 4.1Å; W58-R81 WeakPolarHBondContact CZ3-O 2.81Å; W58-A82 WeakPolarHBondContact CH2-O 3.3Å; W58-K83 HydrophobicContact CB-CD 4.44Å; W58-K83 HydrophobicContact CD2-CB 4.38Å; W58-K83 HydrophobicContact CD2-CD 3.74Å; W58-K83 HydrophobicContact CD2-CG 4.11Å; W58-K83 HydrophobicContact CE3-CB 4.28Å; W58-K83 HydrophobicContact CE3-CD 4.09Å; W58-K83 HydrophobicContact CE3-CG 4.47Å; W58-K83 HydrophobicContact CG-CD 3.91Å; W58-K83 HydrophobicContact CH2-CB 3.69Å; W58-K83 HydrophobicContact CH2-CG 4.31Å; W58-K83 HydrophobicContact CZ2-CB 3.8Å; W58-K83 HydrophobicContact CZ2-CD 4.49Å; W58-K83 HydrophobicContact CZ2-CG 3.95Å; W58-K83 HydrophobicContact CZ3-CB 3.95Å |
| 59 | L | 88.8 | Confident | 84.3 | Confident | 14 Ų | 14 | 68.8 Ų | 68.8 | 7% | 0.073 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 131.4 | 177.1 | -172.4 | 70.2 | 0 | 0 | 0 | 111.1 | L29 L47 Y49 V65 F78 | L29-L59 HydrophobicContact CD2-CD2 3.91Å; L47-L59 HydrophobicContact CB-CB 3.97Å; L47-L59 HydrophobicContact CB-CD2 4.03Å; L47-L59 HydrophobicContact CD1-CD2 3.76Å; L47-L59 WeakPolarHBondContact O-CB 3.02Å; L47-L59 PolarHBondContact O-N 2.94Å; Y49-L59 HydrophobicContact CD1-CB 4.26Å; Y49-L59 HydrophobicContact CE1-CB 4.27Å; Y49-L59 HydrophobicContact CE1-CD1 4.36Å; L59-V65 HydrophobicContact CD1-CG1 4.44Å; L59-F78 HydrophobicContact CD1-CE1 4.14Å; L59-F78 HydrophobicContact CD2-CE1 4.3Å |
| 60 | K | 87 | Confident | 83.8 | Confident | 125 Ų | 125 | 68.8 Ų | 68.8 | 54% | 0.543 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -89.6 | 117.2 | 175.7 | -55.7 | -176.4 | 179.5 | -170.3 | 0 | 109.1 | N62 K63 Q68 | K60-N62 VanDerWaalsContact C-N 3.26Å; K60-N62 PolarHBondContact O-N 3.06Å; K60-K63 PolarHBondContact O-N 2.67Å; K60-Q68 VanDerWaalsContact CB-OE1 3.23Å; K60-Q68 PolarHBondContact O-NE2 2.86Å |
| 61 | L | 86.5 | Confident | 83.6 | Confident | 63 Ų | 63 | 70.2 Ų | 70.2 | 33% | 0.33 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -40.3 | -177.2 | -54.5 | -174.4 | 0 | 0 | 0 | 111.9 | G26 K27 F30 K63 | G26-L61 PolarHBondContact N-O 3.15Å; K27-L61 HydrophobicContact CB-CB 3.97Å; K27-L61 HydrophobicContact CG-CB 4.41Å; K27-L61 PolarHBondContact N-O 3.38Å; F30-L61 HydrophobicContact CB-CD2 3.71Å; F30-L61 HydrophobicContact CD2-CD2 4.25Å; F30-L61 HydrophobicContact CG-CD2 3.94Å; L61-K63 PolarHBondContact O-N 3.2Å; L61-K63 VanDerWaalsContact O-N 3.12Å |
| 62 | N | 84.7 | Confident | 83.3 | Confident | 153 Ų | 153 | 79.7 Ų | 79.7 | 82% | 0.818 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | 16 | -176.8 | -58 | -0.1 | 0 | 0 | 0 | 114.3 | K60 | K60-N62 VanDerWaalsContact C-N 3.26Å; K60-N62 PolarHBondContact O-N 3.06Å |
| 63 | K | 87.4 | Confident | 83.3 | Confident | 116 Ų | 116 | 80.2 Ų | 80.2 | 50% | 0.504 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -132.6 | 154.3 | 174.8 | -73.2 | -157.1 | 172.2 | -152.2 | 0 | 111.5 | G26 K60 L61 Q68 | G26-K63 PolarHBondContact N-O 2.89Å; K60-K63 PolarHBondContact O-N 2.67Å; L61-K63 PolarHBondContact O-N 3.2Å; L61-K63 VanDerWaalsContact O-N 3.12Å; K63-Q68 HydrophobicContact CB-CG 4.17Å; K63-Q68 PolarHBondContact O-NE2 3.11Å |
| 64 | K | 87.8 | Confident | 83.4 | Confident | 87 Ų | 87 | 79.8 Ų | 79.8 | 38% | 0.378 | 40% | 0.404 | S | S | . | . | B | Isolated β-bridge | trans | -61.9 | 141.5 | 172.7 | -63.4 | -175.7 | 175.5 | 176.8 | 0 | 110.3 | T24 T66 Q67 Q68 | T24-K64 WeakPolarHBondContact O-CA 3.5Å; K64-T66 VanDerWaalsContact C-N 3.27Å; K64-T66 PolarHBondContact O-N 3.34Å; K64-Q67 HydrophobicContact CB-CB 4.28Å; K64-Q67 HydrophobicContact CB-CG 4Å; K64-Q67 PolarHBondContact O-N 3.24Å; K64-Q67 VanDerWaalsContact O-N 3.12Å; K64-Q68 WeakPolarHBondContact O-CG 3.29Å; K64-Q68 PolarHBondContact O-NE2 3.28Å |
| 65 | V | 86.1 | Confident | 83.7 | Confident | 2 Ų | 2 | 78.2 Ų | 78.2 | 1% | 0.012 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -60.7 | -41.7 | -179.9 | -177.4 | 0 | 0 | 0 | 0 | 110.4 | I20 T24 L29 L59 Q67 Q68 V70 L76 F78 | I20-V65 HydrophobicContact CD1-CB 3.93Å; I20-V65 HydrophobicContact CD1-CG1 4.11Å; I20-V65 HydrophobicContact CD1-CG2 3.98Å; T24-V65 PolarHBondContact O-N 3.2Å; L29-V65 HydrophobicContact CB-CG2 4.22Å; L29-V65 HydrophobicContact CD2-CG1 4.31Å; L29-V65 HydrophobicContact CD2-CG2 3.84Å; L59-V65 HydrophobicContact CD1-CG1 4.44Å; V65-Q67 PolarHBondContact O-N 3.2Å; V65-Q67 VanDerWaalsContact O-N 3.11Å; V65-Q68 PolarHBondContact O-N 3.03Å; V65-V70 HydrophobicContact CG1-CG2 4.47Å; V65-L76 HydrophobicContact CG1-CD1 4.48Å; V65-F78 HydrophobicContact CG1-CE1 4.41Å; V65-F78 HydrophobicContact CG1-CE2 4.38Å; V65-F78 HydrophobicContact CG1-CZ 3.61Å |
| 66 | T | 83.1 | Confident | 84.2 | Confident | 71 Ų | 71 | 73.9 Ų | 73.9 | 44% | 0.436 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -59.7 | -17.6 | 175.7 | 49 | 0 | 0 | 0 | 0 | 115.3 | I5 P22 K64 | I5-T66 HydrophobicContact CD1-CG2 3.38Å; P22-T66 HydrophobicContact CB-CG2 4.35Å; P22-T66 PolarHBondContact O-OG1 3.24Å; K64-T66 VanDerWaalsContact C-N 3.27Å; K64-T66 PolarHBondContact O-N 3.34Å |
| 67 | Q | 84.9 | Confident | 84.6 | Confident | 129 Ų | 129 | 74.8 Ų | 74.8 | 60% | 0.603 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -101.6 | 14.2 | -176.8 | -67.9 | -178.6 | -29.3 | 0 | 0 | 113.5 | K64 V65 | K64-Q67 HydrophobicContact CB-CB 4.28Å; K64-Q67 HydrophobicContact CB-CG 4Å; K64-Q67 PolarHBondContact O-N 3.24Å; K64-Q67 VanDerWaalsContact O-N 3.12Å; V65-Q67 PolarHBondContact O-N 3.2Å; V65-Q67 VanDerWaalsContact O-N 3.11Å |
| 68 | Q | 80.8 | Confident | 84.9 | Confident | 15 Ų | 15 | 72.9 Ų | 72.9 | 7% | 0.07 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -118.2 | 17.3 | -170.6 | -65.7 | -171.9 | 72.3 | 0 | 0 | 115 | Y49 K60 K63 K64 V65 V70 | Y49-Q68 WeakPolarHBondContact CE2-O 3.45Å; Y49-Q68 PolarHBondContact OH-O 3.21Å; K60-Q68 VanDerWaalsContact CB-OE1 3.23Å; K60-Q68 PolarHBondContact O-NE2 2.86Å; K63-Q68 HydrophobicContact CB-CG 4.17Å; K63-Q68 PolarHBondContact O-NE2 3.11Å; K64-Q68 WeakPolarHBondContact O-CG 3.29Å; K64-Q68 PolarHBondContact O-NE2 3.28Å; V65-Q68 PolarHBondContact O-N 3.03Å; Q68-V70 HydrophobicContact CB-CG2 4.44Å; Q68-V70 PolarHBondContact O-N 2.83Å |
| 69 | D | 80.5 | Confident | 85 | Confident | 81 Ų | 81 | 75.9 Ų | 75.9 | 43% | 0.433 | 37% | 0.366 | S | S | . | . | trans | 58 | 32.3 | 172.3 | -160.1 | 16.7 | 0 | 0 | 0 | 113.2 | D51 S52 | D51-D69 CarbonylContact C-O 3.3Å; D51-D69 VanDerWaalsContact CA-O 3.31Å; D51-D69 WeakPolarHBondContact CA-O 3.38Å; S52-D69 WeakPolarHBondContact CB-OD1 3.47Å; S52-D69 PolarHBondContact N-O 2.64Å; S52-D69 PolarHBondContact OG-OD1 2.98Å; S52-D69 PolarHBondContact OG-OD2 2.92Å | ||
| 70 | V | 81.2 | Confident | 85 | Confident | 16 Ų | 16 | 75.2 Ų | 75.2 | 10% | 0.097 | 36% | 0.362 | C | S | . | . | B | Isolated β-bridge | trans | -60.9 | 136.9 | 173.5 | -170.7 | 0 | 0 | 0 | 0 | 109.1 | Y49 V65 Q68 K72 L76 F78 | Y49-V70 HydrophobicContact CD2-CB 3.97Å; Y49-V70 HydrophobicContact CD2-CG1 3.85Å; Y49-V70 HydrophobicContact CD2-CG2 3.78Å; Y49-V70 HydrophobicContact CE2-CB 4.23Å; Y49-V70 HydrophobicContact CE2-CG2 3.8Å; Y49-V70 HydrophobicContact CG-CG1 4.26Å; Y49-V70 HydrophobicContact CG-CG2 4.24Å; V65-V70 HydrophobicContact CG1-CG2 4.47Å; Q68-V70 HydrophobicContact CB-CG2 4.44Å; Q68-V70 PolarHBondContact O-N 2.83Å; V70-K72 PolarHBondContact O-N 3.02Å; V70-L76 HydrophobicContact CG1-CD2 4.02Å; V70-F78 HydrophobicContact CG1-CE1 4.45Å; V70-F78 HydrophobicContact CG1-CZ 4.04Å; V70-F78 HydrophobicContact CG2-CE1 4.4Å; V70-F78 HydrophobicContact CG2-CZ 4.19Å |
| 71 | K | 82.5 | Confident | 85 | Confident | 93 Ų | 93 | 70.6 Ų | 70.6 | 40% | 0.404 | 34% | 0.341 | S | S | . | . | trans | -53.1 | 128.8 | 174.5 | -169.3 | -175.5 | 179.5 | -158.1 | 0 | 109.7 | V50 E73 L76 | V50-K71 HydrophobicContact CG1-CD 4.4Å; V50-K71 VanDerWaalsContact O-CB 3.24Å; V50-K71 WeakPolarHBondContact O-CB 3.49Å; V50-K71 PolarHBondContact O-N 2.85Å; K71-E73 VanDerWaalsContact C-N 3.25Å; K71-E73 HydrophobicContact CD-CG 4.25Å; K71-E73 WeakPolarHBondContact CD-OE1 3.29Å; K71-E73 WeakPolarHBondContact CE-OE1 3.48Å; K71-E73 HydrophobicContact CG-CG 4.2Å; K71-E73 IonicContact NZ-OE1 3.87Å; K71-E73 PolarHBondContact NZ-OE1 2.92Å; K71-E73 PolarHBondContact O-N 3.1Å; K71-L76 VanDerWaalsContact O-CD2 3.3Å; K71-L76 WeakPolarHBondContact O-CD2 3.39Å | ||
| 72 | K | 78.4 | Confident | 85.1 | Confident | 204 Ų | 204 | 67.8 Ų | 67.8 | 89% | 0.887 | 33% | 0.328 | S | S | * | . | trans | -79.2 | 70.3 | -171.1 | -65.6 | -178.3 | -178.1 | 175.7 | 0 | 111.9 | V70 | V70-K72 PolarHBondContact O-N 3.02Š| ||
| 73 | E | 81.1 | Confident | 85.1 | Confident | 74 Ų | 74 | 62 Ų | 62 | 35% | 0.346 | 30% | 0.295 | S | S | . | . | trans | -100.6 | 161.9 | 173.4 | -67.7 | 173.9 | 154 | 0 | 0 | 110.4 | K71 P75 L76 Q77 | K71-E73 VanDerWaalsContact C-N 3.25Å; K71-E73 HydrophobicContact CD-CG 4.25Å; K71-E73 WeakPolarHBondContact CD-OE1 3.29Å; K71-E73 WeakPolarHBondContact CE-OE1 3.48Å; K71-E73 HydrophobicContact CG-CG 4.2Å; K71-E73 IonicContact NZ-OE1 3.87Å; K71-E73 PolarHBondContact NZ-OE1 2.92Å; K71-E73 PolarHBondContact O-N 3.1Å; E73-P75 CarbonylContact C-O 3.45Å; E73-P75 VanDerWaalsContact C-O 3.3Å; E73-P75 WeakPolarHBondContact CB-O 3.31Å; E73-P75 CarbonylContact O-C 3.54Å; E73-L76 WeakPolarHBondContact O-CD2 3.33Å; E73-L76 PolarHBondContact O-N 2.86Å; E73-Q77 WeakPolarHBondContact OE2-CG 3.39Å | ||
| 74 | N | 81.4 | Confident | 85 | Confident | 129 Ų | 129 | 57.6 Ų | 57.6 | 69% | 0.69 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -134.3 | 104.4 | 176.3 | -177.6 | 34.2 | 0 | 0 | 0 | 108.5 | ||
| 75 | P | 84.3 | Confident | 84.9 | Confident | 24 Ų | 24 | 54.6 Ų | 54.6 | 16% | 0.156 | 26% | 0.263 | C | S | . | . | S | Bend | cis | -69 | 159.7 | 0.8 | 31.7 | -38.1 | 0 | 0 | 0 | 113.8 | N6 R8 E73 Q77 | N6-P75 HydrophobicContact CB-CB 4.02Å; N6-P75 WeakPolarHBondContact O-CA 3.35Å; R8-P75 HydrophobicContact CB-CB 4.07Å; R8-P75 HydrophobicContact CB-CG 3.79Å; E73-P75 CarbonylContact C-O 3.45Å; E73-P75 VanDerWaalsContact C-O 3.3Å; E73-P75 WeakPolarHBondContact CB-O 3.31Å; E73-P75 CarbonylContact O-C 3.54Å; P75-Q77 PolarHBondContact O-N 3Å |
| 76 | L | 87.9 | Confident | 84.9 | Confident | 18 Ų | 18 | 54.7 Ų | 54.7 | 9% | 0.094 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 126.1 | 167.7 | -67.7 | 178.3 | 0 | 0 | 0 | 109.8 | I5 N6 V7 R8 V65 V70 K71 E73 F78 | I5-L76 HydrophobicContact CG2-CD1 3.56Å; I5-L76 HydrophobicContact CG2-CG 4.01Å; N6-L76 PolarHBondContact O-N 3.15Å; V7-L76 HydrophobicContact CG2-CB 4.42Å; R8-L76 PolarHBondContact N-O 3.14Å; V65-L76 HydrophobicContact CG1-CD1 4.48Å; V70-L76 HydrophobicContact CG1-CD2 4.02Å; K71-L76 VanDerWaalsContact O-CD2 3.3Å; K71-L76 WeakPolarHBondContact O-CD2 3.39Å; E73-L76 WeakPolarHBondContact O-CD2 3.33Å; E73-L76 PolarHBondContact O-N 2.86Å; L76-F78 HydrophobicContact CB-CD2 4.43Å; L76-F78 HydrophobicContact CB-CE2 3.7Å; L76-F78 HydrophobicContact CB-CZ 4.47Å; L76-F78 HydrophobicContact CD1-CE2 4.41Å |
| 77 | Q | 89.9 | Confident | 84.7 | Confident | 71 Ų | 71 | 51.8 Ų | 51.8 | 33% | 0.332 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 121.3 | -176 | -62.3 | -64.1 | -18.8 | 0 | 0 | 112.3 | E73 P75 | E73-Q77 WeakPolarHBondContact OE2-CG 3.39Å; P75-Q77 PolarHBondContact O-N 3Å |
| 78 | F | 90.9 | Very high | 84.6 | Confident | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.009 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 140.6 | 168.4 | -59.6 | -95.7 | 0 | 0 | 0 | 110.5 | V7 R8 V9 T10 L29 L47 Q48 Y49 L59 V65 V70 L76 | V7-F78 HydrophobicContact CG1-CD2 3.52Å; V7-F78 HydrophobicContact CG1-CE2 3.69Å; V7-F78 HydrophobicContact CG2-CE2 4.48Å; R8-F78 PolarHBondContact O-N 3.4Å; V9-F78 WeakPolarHBondContact CA-O 3.41Å; V9-F78 HydrophobicContact CG2-CB 4.32Å; T10-F78 PolarHBondContact N-O 3.28Å; L29-F78 HydrophobicContact CD2-CD2 4.41Å; L29-F78 HydrophobicContact CD2-CE1 4.44Å; L29-F78 HydrophobicContact CD2-CE2 4.12Å; L29-F78 HydrophobicContact CD2-CZ 4.16Å; L47-F78 HydrophobicContact CB-CD1 4.17Å; L47-F78 HydrophobicContact CD2-CB 4.12Å; Q48-F78 CarbonylContact O-C 3.54Å; Q48-F78 WeakPolarHBondContact O-CA 3.46Å; Y49-F78 HydrophobicContact CD1-CD1 4.36Å; Y49-F78 HydrophobicContact CD1-CE1 4.07Å; Y49-F78 HydrophobicContact CG-CD1 4.36Å; Y49-F78 HydrophobicContact CG-CE1 4.05Å; L59-F78 HydrophobicContact CD1-CE1 4.14Å; L59-F78 HydrophobicContact CD2-CE1 4.3Å; V65-F78 HydrophobicContact CG1-CE1 4.41Å; V65-F78 HydrophobicContact CG1-CE2 4.38Å; V65-F78 HydrophobicContact CG1-CZ 3.61Å; V70-F78 HydrophobicContact CG1-CE1 4.45Å; V70-F78 HydrophobicContact CG1-CZ 4.04Å; V70-F78 HydrophobicContact CG2-CE1 4.4Å; V70-F78 HydrophobicContact CG2-CZ 4.19Å; L76-F78 HydrophobicContact CB-CD2 4.43Å; L76-F78 HydrophobicContact CB-CE2 3.7Å; L76-F78 HydrophobicContact CB-CZ 4.47Å; L76-F78 HydrophobicContact CD1-CE2 4.41Å |
| 79 | K | 89.6 | Confident | 84.8 | Confident | 107 Ų | 107 | 45.5 Ų | 45.5 | 47% | 0.465 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 122.6 | 165.8 | -61.7 | -170.5 | 175.4 | -167.4 | 0 | 108.7 | T10 Q48 R81 | T10-K79 WeakPolarHBondContact O-CA 3.29Å; Q48-K79 PolarHBondContact N-O 2.72Å; Q48-K79 PolarHBondContact O-N 3.37Å; K79-R81 HydrophobicContact CB-CG 4.04Å; K79-R81 PolarHBondContact O-N 2.74Å |
| 80 | F | 89.6 | Confident | 84.6 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 121.6 | 163.2 | -169.3 | -104.2 | 0 | 0 | 0 | 107.2 | V9 T10 T11 F30 V33 V34 F45 L47 L101 Q105 | V9-F80 HydrophobicContact CG1-CB 3.96Å; T10-F80 PolarHBondContact O-N 2.7Å; T11-F80 HydrophobicContact CG2-CB 4Å; T11-F80 HydrophobicContact CG2-CD1 4.28Å; T11-F80 HydrophobicContact CG2-CG 4.38Å; F30-F80 HydrophobicContact CD2-CE2 4.26Å; F30-F80 AromaticContact CE2-CE2 3.74Å; F30-F80 HydrophobicContact CE2-CE2 3.74Å; F30-F80 HydrophobicContact CZ-CE2 4.34Å; V33-F80 HydrophobicContact CG1-CD2 3.67Å; V33-F80 HydrophobicContact CG1-CE2 3.96Å; V33-F80 HydrophobicContact CG1-CG 4.15Å; V34-F80 HydrophobicContact CG1-CE2 3.74Å; V34-F80 HydrophobicContact CG1-CZ 3.79Å; F45-F80 HydrophobicContact CB-CE1 3.99Å; F45-F80 HydrophobicContact CB-CE2 3.81Å; F45-F80 HydrophobicContact CB-CZ 3.4Å; F45-F80 VanDerWaalsContact CB-CZ 3.4Å; F45-F80 AromaticContact CD1-CD1 3.89Å; F45-F80 HydrophobicContact CD1-CD1 3.89Å; F45-F80 AromaticContact CD1-CE1 3.18Å; F45-F80 HydrophobicContact CD1-CE1 3.18Å; F45-F80 AromaticContact CD1-CZ 3.57Å; F45-F80 HydrophobicContact CD1-CZ 3.57Å; F45-F80 HydrophobicContact CD2-CZ 4.3Å; F45-F80 HydrophobicContact CE1-CD1 4.41Å; F45-F80 AromaticContact CE1-CE1 3.72Å; F45-F80 HydrophobicContact CE1-CE1 3.72Å; F45-F80 HydrophobicContact CE1-CZ 4.41Å; F45-F80 AromaticContact CG-CE1 3.65Å; F45-F80 HydrophobicContact CG-CE1 3.65Å; F45-F80 HydrophobicContact CG-CE2 4.37Å; F45-F80 AromaticContact CG-CZ 3.5Å; F45-F80 HydrophobicContact CG-CZ 3.5Å; F45-F80 VanDerWaalsContact CG-CZ 3.5Å; L47-F80 HydrophobicContact CD2-CB 4.22Å; L47-F80 HydrophobicContact CD2-CD2 3.98Å; F80-L101 HydrophobicContact CE1-CD1 4.14Å; F80-Q105 PolarHBondContact O-OE1 2.86Å |
| 81 | R | 86.8 | Confident | 84.5 | Confident | 27 Ų | 27 | 50.3 Ų | 50.3 | 10% | 0.102 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 141.7 | -177.4 | -73 | -59.8 | -175.6 | -94.7 | 13.9 | 109.7 | T11 M12 G46 W58 K79 Q105 E109 | T11-R81 PolarHBondContact O-NH1 3.08Å; M12-R81 PolarHBondContact SD-NH2 2.78Å; G46-R81 PolarHBondContact N-O 2.63Å; G46-R81 PolarHBondContact O-N 2.92Å; W58-R81 HydrophobicContact CH2-CB 3.75Å; W58-R81 HydrophobicContact CZ3-CB 4.1Å; W58-R81 WeakPolarHBondContact CZ3-O 2.81Å; K79-R81 HydrophobicContact CB-CG 4.04Å; K79-R81 PolarHBondContact O-N 2.74Å; R81-Q105 VanDerWaalsContact CA-OE1 3.3Å; R81-E109 IonicContact CZ-OE2 2.65Å; R81-E109 IonicContact NE-OE2 2.69Å; R81-E109 IonicContact NH2-OE1 2.67Å; R81-E109 IonicContact NH2-OE2 4Å; R81-E109 PolarHBondContact NH2-OE2 2.64Å |
| 82 | A | 87.2 | Confident | 84.3 | Confident | 5 Ų | 5 | 47.6 Ų | 47.6 | 4% | 0.041 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 136.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | F44 F45 W58 F102 Q106 | F44-A82 CarbonylContact O-C 3.56Å; F44-A82 WeakPolarHBondContact O-CA 3.29Å; F45-A82 HydrophobicContact CD1-CB 4.05Å; F45-A82 HydrophobicContact CE1-CB 4.06Å; W58-A82 WeakPolarHBondContact CH2-O 3.3Å; A82-F102 HydrophobicContact CB-CE1 3.93Å; A82-F102 HydrophobicContact CB-CE2 4.49Å; A82-F102 HydrophobicContact CB-CZ 3.91Å; A82-Q106 VanDerWaalsContact C-NE2 3.34Å; A82-Q106 HydrophobicContact CB-CG 4.37Å; A82-Q106 VanDerWaalsContact CB-NE2 3.33Å; A82-Q106 PolarHBondContact O-NE2 2.94Å |
| 83 | K | 85.8 | Confident | 84.6 | Confident | 31 Ų | 31 | 38.2 Ų | 38.2 | 14% | 0.135 | 19% | 0.189 | C | C | . | . | trans | -109.9 | -27 | -176.9 | 177.3 | 172.3 | 174.2 | -80.5 | 0 | 111.4 | F44 W58 A283 L284 | F44-K83 PolarHBondContact O-N 3.24Å; W58-K83 HydrophobicContact CB-CD 4.44Å; W58-K83 HydrophobicContact CD2-CB 4.38Å; W58-K83 HydrophobicContact CD2-CD 3.74Å; W58-K83 HydrophobicContact CD2-CG 4.11Å; W58-K83 HydrophobicContact CE3-CB 4.28Å; W58-K83 HydrophobicContact CE3-CD 4.09Å; W58-K83 HydrophobicContact CE3-CG 4.47Å; W58-K83 HydrophobicContact CG-CD 3.91Å; W58-K83 HydrophobicContact CH2-CB 3.69Å; W58-K83 HydrophobicContact CH2-CG 4.31Å; W58-K83 HydrophobicContact CZ2-CB 3.8Å; W58-K83 HydrophobicContact CZ2-CD 4.49Å; W58-K83 HydrophobicContact CZ2-CG 3.95Å; W58-K83 HydrophobicContact CZ3-CB 3.95Å; K83-A283 PolarHBondContact NZ-O 3.1Å; K83-L284 HydrophobicContact CG-CD2 3.95Å | ||
| 84 | F | 86.3 | Confident | 84.8 | Confident | 24 Ų | 24 | 35.5 Ų | 35.5 | 11% | 0.105 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -126.2 | 150.1 | 177.1 | -52.4 | -72.3 | 0 | 0 | 0 | 108.5 | W43 F44 L284 N288 L291 | W43-F84 WeakPolarHBondContact O-CD2 3.44Å; F44-F84 PolarHBondContact O-N 2.85Å; F84-L284 HydrophobicContact CE1-CD2 4.34Å; F84-N288 VanDerWaalsContact CD1-OD1 3.28Å; F84-N288 WeakPolarHBondContact CD1-OD1 3.08Å; F84-L291 HydrophobicContact CB-CD1 3.59Å; F84-L291 HydrophobicContact CD1-CD1 4.44Å; F84-L291 HydrophobicContact CD2-CD1 4.08Å; F84-L291 HydrophobicContact CG-CD1 3.82Å |
| 85 | F | 85.5 | Confident | 84.9 | Confident | 23 Ų | 23 | 31.1 Ų | 31.1 | 10% | 0.101 | 15% | 0.152 | C | C | . | . | trans | -109.8 | 153.2 | -178.4 | -68.5 | -107.4 | 0 | 0 | 0 | 109.8 | F102 Q106 Y202 R295 | F85-F102 HydrophobicContact CD1-CE1 4.34Å; F85-Q106 HydrophobicContact CE1-CB 4.13Å; F85-Q106 VanDerWaalsContact CE1-CD 3.41Å; F85-Q106 HydrophobicContact CE1-CG 4.25Å; F85-Q106 VanDerWaalsContact CE2-NE2 3.33Å; F85-Q106 HydrophobicContact CZ-CB 4.4Å; F85-Q106 HydrophobicContact CZ-CG 4.14Å; F85-Y202 HydrophobicContact CD1-CD1 4.48Å; F85-Y202 AromaticContact CD1-CE1 3.82Å; F85-Y202 HydrophobicContact CD1-CE1 3.82Å; F85-Y202 HydrophobicContact CD1-CE2 4.07Å; F85-Y202 AromaticContact CD1-CZ 3.6Å; F85-Y202 HydrophobicContact CE1-CD2 4.44Å; F85-Y202 HydrophobicContact CE1-CE1 4.44Å; F85-Y202 HydrophobicContact CE1-CE2 4.05Å; F85-R295 PolarHBondContact O-NH2 3.26Å | ||
| 86 | P | 85.1 | Confident | 84.8 | Confident | 5 Ų | 5 | 34 Ų | 34 | 3% | 0.032 | 16% | 0.163 | C | C | . | . | trans | -62.6 | 157.5 | 163.7 | 30.9 | -36.9 | 0 | 0 | 0 | 111.1 | F44 V89 E92 L93 | F44-P86 HydrophobicContact CE1-CB 4.28Å; F44-P86 HydrophobicContact CZ-CB 4.32Å; P86-V89 HydrophobicContact CG-CB 4.35Å; P86-V89 HydrophobicContact CG-CG1 3.65Å; P86-E92 WeakPolarHBondContact CA-OE2 3.46Å; P86-E92 HydrophobicContact CB-CB 3.71Å; P86-E92 HydrophobicContact CB-CG 4.26Å; P86-L93 HydrophobicContact CB-CD2 4.25Å; P86-L93 HydrophobicContact CG-CD1 4.44Å; P86-L93 HydrophobicContact CG-CD2 3.98Å; P86-L93 HydrophobicContact CG-CG 4.24Å | ||
| 87 | E | 79.4 | Confident | 84.7 | Confident | 10 Ų | 10 | 34.7 Ų | 34.7 | 5% | 0.047 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -81 | -36.5 | 167.5 | -80.5 | 178.1 | -130.3 | 0 | 0 | 112.1 | E92 A223 L224 Y292 R295 R296 R511 | E87-E92 WeakPolarHBondContact CB-OE1 3.46Å; E87-E92 PolarHBondContact N-OE1 2.96Å; E87-A223 HydrophobicContact CG-CB 3.96Å; E87-L224 HydrophobicContact CB-CD2 4.29Å; E87-L224 HydrophobicContact CG-CD2 3.82Å; E87-Y292 WeakPolarHBondContact OE1-CD2 3.44Å; E87-R295 WeakPolarHBondContact OE1-CD 3.33Å; E87-R295 IonicContact OE1-CZ 3.65Å; E87-R295 IonicContact OE1-NE 3.64Å; E87-R295 IonicContact OE1-NH1 3.86Å; E87-R295 PolarHBondContact OE1-NH1 3.07Å; E87-R296 IonicContact OE1-CZ 3.55Å; E87-R296 IonicContact OE1-NH1 3.3Å; E87-R296 PolarHBondContact OE1-NH1 2.6Å; E87-R296 IonicContact OE1-NH2 3.27Å; E87-R296 IonicContact OE2-CZ 3.73Å; E87-R296 IonicContact OE2-NH1 2.8Å; E87-R296 PolarHBondContact OE2-NH1 3.25Å; E87-R296 IonicContact OE2-NH2 2.76Å; E87-R296 PolarHBondContact OE2-NH2 2.92Å; E87-R511 PolarHBondContact O-NH1 2.7Å; E87-R511 IonicContact OE2-CZ 2.68Å; E87-R511 IonicContact OE2-NH2 3.67Å; E87-R511 PolarHBondContact OE2-NH2 2.87Å |
| 88 | D | 82.5 | Confident | 84.5 | Confident | 12 Ų | 12 | 31.3 Ų | 31.3 | 6% | 0.064 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -135.4 | 121.4 | 162.3 | -165.6 | -48.2 | 0 | 0 | 0 | 109 | S90 E91 E92 Q197 K517 | D88-S90 PolarHBondContact O-N 3.41Å; D88-S90 WeakPolarHBondContact OD1-CB 3.43Å; D88-S90 PolarHBondContact OD1-N 2.9Å; D88-S90 PolarHBondContact OD1-OG 2.81Å; D88-E91 PolarHBondContact O-N 2.84Å; D88-E92 WeakPolarHBondContact O-CB 3.19Å; D88-E92 PolarHBondContact O-N 3.48Å; D88-Q197 PolarHBondContact OD1-NE2 3.1Å; D88-K517 IonicContact OD2-NZ 3.84Å; D88-K517 PolarHBondContact OD2-NZ 2.95Å |
| 89 | V | 84 | Confident | 84.2 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60 | -27.5 | -178.1 | -62.6 | 0 | 0 | 0 | 0 | 113.1 | P86 L93 M190 L193 K194 Q197 Y202 | P86-V89 HydrophobicContact CG-CB 4.35Å; P86-V89 HydrophobicContact CG-CG1 3.65Å; V89-L93 HydrophobicContact CB-CD1 3.98Å; V89-L93 HydrophobicContact CB-CG 4.45Å; V89-L93 HydrophobicContact CG1-CD1 4.27Å; V89-L93 WeakPolarHBondContact O-CB 3.38Å; V89-L93 WeakPolarHBondContact O-CG 3.43Å; V89-L93 PolarHBondContact O-N 3.19Å; V89-M190 HydrophobicContact CB-SD 4.36Å; V89-M190 HydrophobicContact CG2-SD 3.95Å; V89-M190 WeakPolarHBondContact O-CE 3.49Å; V89-L193 HydrophobicContact CB-CB 4.14Å; V89-L193 HydrophobicContact CG1-CB 4.13Å; V89-L193 HydrophobicContact CG2-CB 3.92Å; V89-K194 HydrophobicContact CG2-CG 4.03Å; V89-Q197 HydrophobicContact CG1-CB 4.39Å; V89-Q197 HydrophobicContact CG2-CG 4.49Å; V89-Y202 WeakPolarHBondContact CG1-OH 3.48Å |
| 90 | S | 77.8 | Confident | 83.9 | Confident | 54 Ų | 54 | 32.3 Ų | 32.3 | 38% | 0.378 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -83.5 | -21.1 | -172.9 | 64.9 | 0 | 0 | 0 | 0 | 114.2 | D88 | D88-S90 PolarHBondContact O-N 3.41Å; D88-S90 WeakPolarHBondContact OD1-CB 3.43Å; D88-S90 PolarHBondContact OD1-N 2.9Å; D88-S90 PolarHBondContact OD1-OG 2.81Å |
| 91 | E | 77.4 | Confident | 83.6 | Confident | 143 Ų | 143 | 32.3 Ų | 32.3 | 67% | 0.668 | 15% | 0.153 | S | C | * | . | H | α-helix | trans | -102.8 | -25.9 | 178.5 | -61.1 | -173 | 161.1 | 0 | 0 | 113.1 | D88 | D88-E91 PolarHBondContact O-N 2.84Å |
| 92 | E | 79.9 | Confident | 83.4 | Confident | 36 Ų | 36 | 31 Ų | 31 | 17% | 0.168 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -99.5 | -27.1 | -173.5 | -79.8 | -173.8 | -118.8 | 0 | 0 | 116.1 | F44 P86 E87 D88 I94 R295 | F44-E92 HydrophobicContact CZ-CB 4.23Å; P86-E92 WeakPolarHBondContact CA-OE2 3.46Å; P86-E92 HydrophobicContact CB-CB 3.71Å; P86-E92 HydrophobicContact CB-CG 4.26Å; E87-E92 WeakPolarHBondContact CB-OE1 3.46Å; E87-E92 PolarHBondContact N-OE1 2.96Å; D88-E92 WeakPolarHBondContact O-CB 3.19Å; D88-E92 PolarHBondContact O-N 3.48Å; E92-I94 PolarHBondContact O-N 3.37Å; E92-R295 IonicContact OE1-CZ 3.13Å; E92-R295 IonicContact OE1-NE 2.79Å; E92-R295 PolarHBondContact OE1-NE 3.22Å; E92-R295 IonicContact OE1-NH2 2.66Å; E92-R295 PolarHBondContact OE1-NH2 3.18Å; E92-R295 IonicContact OE2-CZ 2.76Å; E92-R295 VanDerWaalsContact OE2-CZ 3.25Å; E92-R295 IonicContact OE2-NE 3.71Å; E92-R295 PolarHBondContact OE2-NE 3.06Å; E92-R295 IonicContact OE2-NH2 3.8Å; E92-R295 PolarHBondContact OE2-NH2 2.91Å |
| 93 | L | 84.8 | Confident | 83 | Confident | 7 Ų | 7 | 31.2 Ų | 31.2 | 4% | 0.037 | 15% | 0.148 | C | C | . | . | trans | -91.8 | 100.5 | -173.6 | -56.4 | -174.3 | 0 | 0 | 0 | 111 | F44 P86 V89 T98 Q99 F102 M190 L193 | F44-L93 HydrophobicContact CD2-CD2 4.32Å; F44-L93 HydrophobicContact CE2-CD2 3.82Å; F44-L93 HydrophobicContact CZ-CD2 4.14Å; P86-L93 HydrophobicContact CB-CD2 4.25Å; P86-L93 HydrophobicContact CG-CD1 4.44Å; P86-L93 HydrophobicContact CG-CD2 3.98Å; P86-L93 HydrophobicContact CG-CG 4.24Å; V89-L93 HydrophobicContact CB-CD1 3.98Å; V89-L93 HydrophobicContact CB-CG 4.45Å; V89-L93 HydrophobicContact CG1-CD1 4.27Å; V89-L93 WeakPolarHBondContact O-CB 3.38Å; V89-L93 WeakPolarHBondContact O-CG 3.43Å; V89-L93 PolarHBondContact O-N 3.19Å; L93-T98 HydrophobicContact CD2-CG2 4.04Å; L93-Q99 HydrophobicContact CB-CG 3.72Å; L93-Q99 HydrophobicContact CD1-CG 4.47Å; L93-Q99 PolarHBondContact O-NE2 3.01Å; L93-F102 HydrophobicContact CD1-CB 4.2Å; L93-F102 HydrophobicContact CD1-CD2 4.05Å; L93-F102 HydrophobicContact CD1-CG 4.15Å; L93-F102 HydrophobicContact CD2-CD2 3.78Å; L93-F102 HydrophobicContact CD2-CE2 3.66Å; L93-F102 HydrophobicContact CD2-CZ 4.32Å; L93-M190 HydrophobicContact CB-CE 4.46Å; L93-L193 HydrophobicContact CD1-CD1 3.93Å | ||
| 94 | I | 84.1 | Confident | 82.3 | Confident | 18 Ų | 18 | 31.9 Ų | 31.9 | 9% | 0.092 | 15% | 0.153 | C | C | . | . | trans | -86.8 | -46.7 | -165.3 | -55.2 | 163.5 | 0 | 0 | 0 | 112.3 | E41 E92 V303 M306 K307 A310 | E41-I94 PolarHBondContact OE1-N 3.44Å; E41-I94 PolarHBondContact OE2-N 2.93Å; E92-I94 PolarHBondContact O-N 3.37Å; I94-V303 HydrophobicContact CD1-CG1 3.89Å; I94-M306 HydrophobicContact CD1-CB 4.41Å; I94-M306 HydrophobicContact CD1-CE 4.24Å; I94-M306 HydrophobicContact CG2-CB 4.04Å; I94-M306 WeakPolarHBondContact CG2-O 3.28Å; I94-K307 HydrophobicContact CD1-CG 3.86Å; I94-K307 HydrophobicContact CG1-CG 3.83Å; I94-K307 HydrophobicContact CG2-CG 4.1Å; I94-A310 HydrophobicContact CG2-CB 3.78Å; I94-A310 WeakPolarHBondContact O-CB 3.42Å | ||
| 95 | Q | 83.9 | Confident | 81.1 | Confident | 36 Ų | 36 | 31 Ų | 31 | 17% | 0.168 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -93.3 | 143 | -174.9 | -57.9 | -178 | -96.9 | 0 | 0 | 112.3 | G38 E41 I97 T98 Q99 M306 | G38-Q95 PolarHBondContact O-NE2 2.94Å; E41-Q95 HydrophobicContact CG-CG 4.49Å; E41-Q95 VanDerWaalsContact OE2-CB 3.28Å; E41-Q95 WeakPolarHBondContact OE2-CB 3.41Å; E41-Q95 WeakPolarHBondContact OE2-CG 3.36Å; E41-Q95 PolarHBondContact OE2-N 3.45Å; Q95-I97 VanDerWaalsContact C-N 3.27Å; Q95-I97 HydrophobicContact CB-CG2 4.04Å; Q95-I97 PolarHBondContact O-N 3.2Å; Q95-T98 WeakPolarHBondContact O-CB 3.34Å; Q95-T98 PolarHBondContact O-N 3.21Å; Q95-Q99 PolarHBondContact O-N 3.49Å; Q95-M306 HydrophobicContact CG-CE 4.38Å |
| 96 | E | 81.9 | Confident | 79.7 | Confident | 84 Ų | 84 | 30.9 Ų | 30.9 | 39% | 0.393 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -51 | -44.7 | 172.5 | -174.3 | -171.3 | 151.4 | 0 | 0 | 112.3 | T98 Q99 R100 E186 K317 | E96-T98 VanDerWaalsContact C-N 3.31Å; E96-T98 PolarHBondContact O-N 3.47Å; E96-Q99 PolarHBondContact O-N 3.11Å; E96-R100 VanDerWaalsContact O-CB 3.25Å; E96-R100 WeakPolarHBondContact O-CB 3.29Å; E96-R100 PolarHBondContact O-N 2.82Å; E96-E186 HydrophobicContact CG-CG 4.11Å; E96-K317 IonicContact OE2-NZ 2.77Å; E96-K317 PolarHBondContact OE2-NZ 2.88Å |
| 97 | I | 85.4 | Confident | 78.4 | Confident | 33 Ų | 33 | 30.6 Ų | 30.6 | 17% | 0.169 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.2 | -35.3 | 179.2 | -171.4 | 56.7 | 0 | 0 | 0 | 112.5 | V37 L39 Q95 L101 | V37-I97 HydrophobicContact CG1-CD1 4.08Å; V37-I97 HydrophobicContact CG1-CG1 3.6Å; L39-I97 HydrophobicContact CB-CG2 4.4Å; Q95-I97 VanDerWaalsContact C-N 3.27Å; Q95-I97 HydrophobicContact CB-CG2 4.04Å; Q95-I97 PolarHBondContact O-N 3.2Å; I97-L101 HydrophobicContact CD1-CD1 4.33Å; I97-L101 HydrophobicContact CD1-CG 4.3Å; I97-L101 HydrophobicContact CG1-CD1 4.12Å; I97-L101 VanDerWaalsContact O-CB 3.3Å; I97-L101 WeakPolarHBondContact O-CB 3.43Å; I97-L101 VanDerWaalsContact O-CG 3.22Å; I97-L101 WeakPolarHBondContact O-CG 3.4Å; I97-L101 PolarHBondContact O-N 3.31Å |
| 98 | T | 86.8 | Confident | 78 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68.2 | -48 | 175.9 | -57.7 | 0 | 0 | 0 | 0 | 110.6 | E41 F44 F45 L93 Q95 E96 L101 F102 | E41-T98 HydrophobicContact CB-CG2 4.24Å; E41-T98 WeakPolarHBondContact OE2-CB 3.29Å; E41-T98 WeakPolarHBondContact OE2-CG2 3.42Å; E41-T98 PolarHBondContact OE2-OG1 3.46Å; F44-T98 HydrophobicContact CD2-CG2 4.42Å; F45-T98 HydrophobicContact CE2-CG2 4.01Å; F45-T98 HydrophobicContact CZ-CG2 4.21Å; L93-T98 HydrophobicContact CD2-CG2 4.04Å; Q95-T98 WeakPolarHBondContact O-CB 3.34Å; Q95-T98 PolarHBondContact O-N 3.21Å; E96-T98 VanDerWaalsContact C-N 3.31Å; E96-T98 PolarHBondContact O-N 3.47Å; T98-L101 PolarHBondContact O-N 3.44Å; T98-F102 HydrophobicContact CG2-CD2 3.86Å; T98-F102 HydrophobicContact CG2-CE2 3.98Å; T98-F102 WeakPolarHBondContact O-CD2 3.2Å; T98-F102 PolarHBondContact O-N 3.19Å |
| 99 | Q | 84.8 | Confident | 77.7 | Confident | 27 Ų | 27 | 35 Ų | 35 | 13% | 0.126 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.7 | -49.6 | 176.8 | -65.6 | 172.1 | 11.1 | 0 | 0 | 111.1 | L93 Q95 E96 L101 F102 F103 M190 | L93-Q99 HydrophobicContact CB-CG 3.72Å; L93-Q99 HydrophobicContact CD1-CG 4.47Å; L93-Q99 PolarHBondContact O-NE2 3.01Å; Q95-Q99 PolarHBondContact O-N 3.49Å; E96-Q99 PolarHBondContact O-N 3.11Å; Q99-L101 VanDerWaalsContact C-N 3.35Å; Q99-L101 PolarHBondContact O-N 3.26Å; Q99-F102 PolarHBondContact O-N 3.36Å; Q99-F103 WeakPolarHBondContact O-CB 3.31Å; Q99-F103 PolarHBondContact O-N 3.29Å; Q99-M190 HydrophobicContact CG-CE 3.9Å |
| 100 | R | 83.6 | Confident | 77.3 | Confident | 104 Ų | 104 | 35.3 Ų | 35.3 | 39% | 0.392 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -58.4 | -43.4 | 176.5 | 178.5 | 176.9 | 169.1 | -178 | -6.4 | 112.1 | D13 E96 L104 M189 | D13-R100 IonicContact OD2-NE 3.13Å; E96-R100 VanDerWaalsContact O-CB 3.25Å; E96-R100 WeakPolarHBondContact O-CB 3.29Å; E96-R100 PolarHBondContact O-N 2.82Å; R100-L104 HydrophobicContact CG-CD1 4.08Å; R100-L104 VanDerWaalsContact O-CG 3.31Å; R100-L104 WeakPolarHBondContact O-CG 3.44Å; R100-L104 PolarHBondContact O-N 3.12Å; R100-M189 HydrophobicContact CB-CE 4.07Å; R100-M189 HydrophobicContact CB-SD 3.91Å; R100-M189 HydrophobicContact CG-SD 4.02Å |
| 101 | L | 82.5 | Confident | 77.4 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.8 | -52.2 | 175 | -75.9 | 169.2 | 0 | 0 | 0 | 110.6 | M12 V37 L39 F45 F80 I97 T98 Q99 F103 L104 Q105 | M12-L101 HydrophobicContact CB-CD2 4.25Å; M12-L101 HydrophobicContact CG-CD2 4.5Å; V37-L101 HydrophobicContact CG1-CD1 4.12Å; L39-L101 HydrophobicContact CD1-CD1 3.7Å; F45-L101 HydrophobicContact CE1-CB 4.09Å; F45-L101 HydrophobicContact CE1-CD1 4.2Å; F45-L101 HydrophobicContact CZ-CB 4.16Å; F45-L101 HydrophobicContact CZ-CD1 4.32Å; F80-L101 HydrophobicContact CE1-CD1 4.14Å; I97-L101 HydrophobicContact CD1-CD1 4.33Å; I97-L101 HydrophobicContact CD1-CG 4.3Å; I97-L101 HydrophobicContact CG1-CD1 4.12Å; I97-L101 VanDerWaalsContact O-CB 3.3Å; I97-L101 WeakPolarHBondContact O-CB 3.43Å; I97-L101 VanDerWaalsContact O-CG 3.22Å; I97-L101 WeakPolarHBondContact O-CG 3.4Å; I97-L101 PolarHBondContact O-N 3.31Å; T98-L101 PolarHBondContact O-N 3.44Å; Q99-L101 VanDerWaalsContact C-N 3.35Å; Q99-L101 PolarHBondContact O-N 3.26Å; L101-F103 VanDerWaalsContact C-N 3.31Å; L101-F103 PolarHBondContact O-N 2.87Å; L101-L104 PolarHBondContact O-N 3.15Å; L101-Q105 WeakPolarHBondContact O-CA 3.39Å; L101-Q105 WeakPolarHBondContact O-CB 3.22Å; L101-Q105 PolarHBondContact O-N 2.78Å |
| 102 | F | 82.9 | Confident | 77.4 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -53.1 | -46.5 | 177.5 | -93.7 | -82 | 0 | 0 | 0 | 112.9 | F44 F45 A82 F85 L93 T98 Q99 Q105 Q106 L193 | F44-F102 HydrophobicContact CB-CE2 3.84Å; F44-F102 HydrophobicContact CB-CZ 3.74Å; F44-F102 HydrophobicContact CD1-CE2 4.43Å; F44-F102 AromaticContact CD1-CZ 3.98Å; F44-F102 HydrophobicContact CD1-CZ 3.98Å; F44-F102 AromaticContact CD2-CE2 3.93Å; F44-F102 HydrophobicContact CD2-CE2 3.93Å; F44-F102 HydrophobicContact CD2-CZ 4.3Å; F44-F102 AromaticContact CG-CE2 3.82Å; F44-F102 HydrophobicContact CG-CE2 3.82Å; F44-F102 AromaticContact CG-CZ 3.76Å; F44-F102 HydrophobicContact CG-CZ 3.76Å; F45-F102 HydrophobicContact CE2-CE2 4.22Å; F45-F102 HydrophobicContact CZ-CD2 4.16Å; F45-F102 HydrophobicContact CZ-CE2 4.02Å; A82-F102 HydrophobicContact CB-CE1 3.93Å; A82-F102 HydrophobicContact CB-CE2 4.49Å; A82-F102 HydrophobicContact CB-CZ 3.91Å; F85-F102 HydrophobicContact CD1-CE1 4.34Å; L93-F102 HydrophobicContact CD1-CB 4.2Å; L93-F102 HydrophobicContact CD1-CD2 4.05Å; L93-F102 HydrophobicContact CD1-CG 4.15Å; L93-F102 HydrophobicContact CD2-CD2 3.78Å; L93-F102 HydrophobicContact CD2-CE2 3.66Å; L93-F102 HydrophobicContact CD2-CZ 4.32Å; T98-F102 HydrophobicContact CG2-CD2 3.86Å; T98-F102 HydrophobicContact CG2-CE2 3.98Å; T98-F102 WeakPolarHBondContact O-CD2 3.2Å; T98-F102 PolarHBondContact O-N 3.19Å; Q99-F102 PolarHBondContact O-N 3.36Å; F102-Q105 PolarHBondContact O-N 2.68Å; F102-Q106 PolarHBondContact O-N 2.63Å; F102-L193 HydrophobicContact CB-CD1 3.98Å; F102-L193 HydrophobicContact CB-CD2 4.24Å |
| 103 | F | 78.8 | Confident | 77.4 | Confident | 9 Ų | 9 | 29 Ų | 29 | 4% | 0.039 | 14% | 0.137 | C | C | . | . | I | π-helix | trans | -55.1 | -54.6 | 176.4 | 165.7 | -99 | 0 | 0 | 0 | 112.4 | Q99 L101 K108 A130 A133 M189 Y192 L193 | Q99-F103 WeakPolarHBondContact O-CB 3.31Å; Q99-F103 PolarHBondContact O-N 3.29Å; L101-F103 VanDerWaalsContact C-N 3.31Å; L101-F103 PolarHBondContact O-N 2.87Å; F103-K108 PolarHBondContact O-N 3.03Å; F103-A130 HydrophobicContact CE2-CB 4.29Å; F103-A130 HydrophobicContact CZ-CB 4.03Å; F103-A133 HydrophobicContact CE1-CB 4.29Å; F103-A133 HydrophobicContact CE2-CB 4.35Å; F103-A133 HydrophobicContact CZ-CB 3.83Å; F103-M189 HydrophobicContact CB-CB 4.17Å; F103-M189 HydrophobicContact CB-CG 4.26Å; F103-M189 HydrophobicContact CB-SD 4.41Å; F103-M189 HydrophobicContact CD1-CG 3.71Å; F103-M189 HydrophobicContact CD1-SD 3.72Å; F103-M189 HydrophobicContact CD2-CB 4.05Å; F103-M189 HydrophobicContact CD2-CG 3.9Å; F103-M189 HydrophobicContact CE1-CG 3.99Å; F103-M189 HydrophobicContact CE1-SD 4.21Å; F103-M189 HydrophobicContact CE2-CG 4.17Å; F103-M189 HydrophobicContact CG-CB 4.01Å; F103-M189 HydrophobicContact CG-CG 3.69Å; F103-M189 HydrophobicContact CG-SD 4.12Å; F103-M189 HydrophobicContact CZ-CG 4.22Å; F103-Y192 AromaticContact CD2-CD1 3.31Å; F103-Y192 HydrophobicContact CD2-CD1 3.31Å; F103-Y192 HydrophobicContact CD2-CD2 4.35Å; F103-Y192 AromaticContact CD2-CE1 3.73Å; F103-Y192 HydrophobicContact CD2-CE1 3.73Å; F103-Y192 AromaticContact CD2-CG 3.67Å; F103-Y192 HydrophobicContact CD2-CG 3.67Å; F103-Y192 AromaticContact CE2-CD1 3.6Å; F103-Y192 HydrophobicContact CE2-CD1 3.6Å; F103-Y192 AromaticContact CE2-CD2 3.79Å; F103-Y192 HydrophobicContact CE2-CD2 3.79Å; F103-Y192 AromaticContact CE2-CE1 3.88Å; F103-Y192 HydrophobicContact CE2-CE1 3.88Å; F103-Y192 HydrophobicContact CE2-CE2 4.1Å; F103-Y192 AromaticContact CE2-CG 3.55Å; F103-Y192 HydrophobicContact CE2-CG 3.55Å; F103-Y192 HydrophobicContact CG-CD1 4.48Å; F103-L193 HydrophobicContact CB-CD1 4.35Å; F103-L193 HydrophobicContact CB-CG 4.38Å |
| 104 | L | 71.6 | Confident | 76.9 | Confident | 44 Ų | 44 | 31.9 Ų | 31.9 | 23% | 0.23 | 15% | 0.152 | C | C | . | . | I | π-helix | trans | -67.6 | -42.8 | -179.7 | -66.5 | 174.6 | 0 | 0 | 0 | 112.6 | M12 D13 R100 L101 | M12-L104 HydrophobicContact CB-CB 3.72Å; M12-L104 HydrophobicContact CB-CD1 3.89Å; M12-L104 HydrophobicContact CB-CG 4.46Å; M12-L104 HydrophobicContact CE-CB 4.27Å; M12-L104 HydrophobicContact CG-CB 3.81Å; D13-L104 HydrophobicContact CB-CD1 4.45Å; R100-L104 HydrophobicContact CG-CD1 4.08Å; R100-L104 VanDerWaalsContact O-CG 3.31Å; R100-L104 WeakPolarHBondContact O-CG 3.44Å; R100-L104 PolarHBondContact O-N 3.12Å; L101-L104 PolarHBondContact O-N 3.15Å |
| 105 | Q | 61 | Low | 76.5 | Confident | 6 Ų | 6 | 37.4 Ų | 37.4 | 3% | 0.028 | 18% | 0.178 | C | C | . | . | I | π-helix | trans | -91 | -30.6 | -154.3 | -173.6 | -171.4 | -119.4 | 0 | 0 | 115.9 | M12 F80 R81 L101 F102 | M12-Q105 VanDerWaalsContact CG-CA 3.49Å; M12-Q105 HydrophobicContact CG-CB 3.4Å; M12-Q105 HydrophobicContact CG-CG 3.78Å; M12-Q105 HydrophobicContact SD-CB 4.02Å; M12-Q105 HydrophobicContact SD-CG 4.1Å; F80-Q105 PolarHBondContact O-OE1 2.86Å; R81-Q105 VanDerWaalsContact CA-OE1 3.3Å; L101-Q105 WeakPolarHBondContact O-CA 3.39Å; L101-Q105 WeakPolarHBondContact O-CB 3.22Å; L101-Q105 PolarHBondContact O-N 2.78Å; F102-Q105 PolarHBondContact O-N 2.68Å |
| 106 | Q | 54.9 | Low | 76.3 | Confident | 20 Ų | 20 | 36.7 Ų | 36.7 | 9% | 0.093 | 18% | 0.175 | C | C | . | . | I | π-helix | trans | -127.8 | -17.1 | -169.8 | -87.4 | -172.8 | -29.6 | 0 | 0 | 113.8 | A82 F85 F102 A110 | A82-Q106 VanDerWaalsContact C-NE2 3.34Å; A82-Q106 HydrophobicContact CB-CG 4.37Å; A82-Q106 VanDerWaalsContact CB-NE2 3.33Å; A82-Q106 PolarHBondContact O-NE2 2.94Å; F85-Q106 HydrophobicContact CE1-CB 4.13Å; F85-Q106 VanDerWaalsContact CE1-CD 3.41Å; F85-Q106 HydrophobicContact CE1-CG 4.25Å; F85-Q106 VanDerWaalsContact CE2-NE2 3.33Å; F85-Q106 HydrophobicContact CZ-CB 4.4Å; F85-Q106 HydrophobicContact CZ-CG 4.14Å; F102-Q106 PolarHBondContact O-N 2.63Å; Q106-A110 WeakPolarHBondContact O-CB 3.41Å |
| 107 | V | 59.3 | Low | 76.4 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | I | π-helix | trans | -110 | -57.3 | 178.5 | -176.4 | 0 | 0 | 0 | 0 | 110.3 | A110 I111 Y192 L193 A196 Y202 | V107-A110 PolarHBondContact O-N 3.2Å; V107-I111 HydrophobicContact CG1-CD1 3.55Å; V107-I111 HydrophobicContact CG1-CG1 4.29Å; V107-I111 WeakPolarHBondContact O-CB 3.3Å; V107-I111 WeakPolarHBondContact O-CG1 3.4Å; V107-I111 PolarHBondContact O-N 2.96Å; V107-Y192 HydrophobicContact CB-CE1 3.75Å; V107-Y192 HydrophobicContact CG1-CD1 4.09Å; V107-Y192 HydrophobicContact CG1-CE1 3.29Å; V107-L193 HydrophobicContact CB-CD2 4.46Å; V107-L193 HydrophobicContact CG2-CD2 3.73Å; V107-A196 HydrophobicContact CB-CB 4.37Å; V107-A196 HydrophobicContact CG1-CB 3.37Å; V107-A196 HydrophobicContact CG2-CB 4.08Å; V107-Y202 HydrophobicContact CG2-CD2 3.98Å; V107-Y202 HydrophobicContact CG2-CE2 3.55Å |
| 108 | K | 69.8 | Low | 76.5 | Confident | 39 Ų | 39 | 31.3 Ų | 31.3 | 17% | 0.17 | 15% | 0.149 | C | C | . | . | I | π-helix | trans | -63 | -48.7 | -178 | -168.2 | 168.2 | -178.4 | 176.4 | 0 | 112.7 | F103 L112 A130 Y192 | F103-K108 PolarHBondContact O-N 3.03Å; K108-L112 HydrophobicContact CG-CD1 3.71Å; K108-L112 HydrophobicContact CG-CG 4.39Å; K108-L112 VanDerWaalsContact O-CB 3.28Å; K108-L112 WeakPolarHBondContact O-CB 3.24Å; K108-L112 WeakPolarHBondContact O-CD1 3.4Å; K108-L112 WeakPolarHBondContact O-CG 3.22Å; K108-L112 PolarHBondContact O-N 2.82Å; K108-A130 HydrophobicContact CD-CB 4.39Å; K108-Y192 WeakPolarHBondContact CA-OH 3.33Å |
| 109 | E | 75.9 | Confident | 76.5 | Confident | 75 Ų | 75 | 31.4 Ų | 31.4 | 35% | 0.35 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -60.8 | -46.6 | 173.9 | -75.4 | -160 | 133.3 | 0 | 0 | 112.6 | M12 R81 L112 N113 | M12-E109 VanDerWaalsContact CE-CD 3.47Å; M12-E109 HydrophobicContact CE-CG 3.71Å; R81-E109 IonicContact CZ-OE2 2.65Å; R81-E109 IonicContact NE-OE2 2.69Å; R81-E109 IonicContact NH2-OE1 2.67Å; R81-E109 IonicContact NH2-OE2 4Å; R81-E109 PolarHBondContact NH2-OE2 2.64Å; E109-L112 PolarHBondContact O-N 2.69Å; E109-N113 VanDerWaalsContact O-CB 3.26Å; E109-N113 WeakPolarHBondContact O-CB 3.26Å; E109-N113 PolarHBondContact O-N 2.92Å; E109-N113 PolarHBondContact O-ND2 3.19Å |
| 110 | A | 76.4 | Confident | 76.5 | Confident | 7 Ų | 7 | 30.2 Ų | 30.2 | 6% | 0.058 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -71 | -38 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q106 V107 D114 E115 N116 | Q106-A110 WeakPolarHBondContact O-CB 3.41Å; V107-A110 PolarHBondContact O-N 3.2Å; A110-D114 PolarHBondContact O-N 3.3Å; A110-E115 HydrophobicContact CB-CB 4.22Å; A110-E115 PolarHBondContact O-N 2.99Å; A110-N116 HydrophobicContact CB-CB 4.4Å; A110-N116 WeakPolarHBondContact CB-ND2 3.1Å; A110-N116 PolarHBondContact O-N 3.23Å |
| 111 | I | 79.6 | Confident | 76.7 | Confident | 6 Ų | 6 | 27 Ų | 27 | 3% | 0.031 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -69.5 | -46 | 174.3 | -69.8 | 178.2 | 0 | 0 | 0 | 110.1 | V107 N113 D114 N116 C118 L126 P155 L199 | V107-I111 HydrophobicContact CG1-CD1 3.55Å; V107-I111 HydrophobicContact CG1-CG1 4.29Å; V107-I111 WeakPolarHBondContact O-CB 3.3Å; V107-I111 WeakPolarHBondContact O-CG1 3.4Å; V107-I111 PolarHBondContact O-N 2.96Å; I111-N113 VanDerWaalsContact C-N 3.26Å; I111-N113 PolarHBondContact O-N 2.71Å; I111-D114 PolarHBondContact O-N 3.13Å; I111-N116 HydrophobicContact CG1-CB 4.17Å; I111-C118 HydrophobicContact CD1-CB 4.12Å; I111-C118 HydrophobicContact CG1-CB 4.19Å; I111-C118 HydrophobicContact CG2-CB 3.8Å; I111-L126 HydrophobicContact CD1-CD1 3.67Å; I111-P155 HydrophobicContact CG2-CG 3.84Å; I111-P155 WeakPolarHBondContact O-CG 3.42Å; I111-L199 HydrophobicContact CD1-CD1 3.65Å; I111-L199 HydrophobicContact CG1-CD1 4.38Å |
| 112 | L | 78 | Confident | 76.9 | Confident | 17 Ų | 17 | 27.7 Ų | 27.7 | 9% | 0.089 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.4 | -30.8 | -179 | -67.6 | 175.6 | 0 | 0 | 0 | 112.9 | K108 E109 D114 R152 L154 | K108-L112 HydrophobicContact CG-CD1 3.71Å; K108-L112 HydrophobicContact CG-CG 4.39Å; K108-L112 VanDerWaalsContact O-CB 3.28Å; K108-L112 WeakPolarHBondContact O-CB 3.24Å; K108-L112 WeakPolarHBondContact O-CD1 3.4Å; K108-L112 WeakPolarHBondContact O-CG 3.22Å; K108-L112 PolarHBondContact O-N 2.82Å; E109-L112 PolarHBondContact O-N 2.69Å; L112-D114 VanDerWaalsContact C-N 3.33Å; L112-R152 VanDerWaalsContact C-NH2 3.33Å; L112-R152 HydrophobicContact CD1-CB 4.21Å; L112-R152 HydrophobicContact CD1-CG 4.09Å; L112-R152 WeakPolarHBondContact CD1-O 3.46Å; L112-R152 HydrophobicContact CD2-CG 4.26Å; L112-R152 WeakPolarHBondContact CD2-O 3.4Å; L112-R152 PolarHBondContact O-NH2 2.99Å; L112-L154 VanDerWaalsContact CD2-C 3.45Å |
| 113 | N | 78.8 | Confident | 77.1 | Confident | 77 Ų | 77 | 27.9 Ų | 27.9 | 41% | 0.412 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 1.9 | 173.6 | -66.5 | -25.2 | 0 | 0 | 0 | 114 | E109 I111 E115 R152 | E109-N113 VanDerWaalsContact O-CB 3.26Å; E109-N113 WeakPolarHBondContact O-CB 3.26Å; E109-N113 PolarHBondContact O-N 2.92Å; E109-N113 PolarHBondContact O-ND2 3.19Å; I111-N113 VanDerWaalsContact C-N 3.26Å; I111-N113 PolarHBondContact O-N 2.71Å; N113-E115 HydrophobicContact CB-CG 4.24Å; N113-E115 PolarHBondContact O-N 2.8Å; N113-R152 VanDerWaalsContact OD1-CZ 3.29Å; N113-R152 PolarHBondContact OD1-NH1 2.88Å; N113-R152 PolarHBondContact OD1-NH2 3.1Å |
| 114 | D | 75.3 | Confident | 77.6 | Confident | 67 Ų | 67 | 27.5 Ų | 27.5 | 36% | 0.358 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 24.1 | -178.7 | -132.1 | 9.9 | 0 | 0 | 0 | 113.7 | A110 I111 L112 R157 | A110-D114 PolarHBondContact O-N 3.3Å; I111-D114 PolarHBondContact O-N 3.13Å; L112-D114 VanDerWaalsContact C-N 3.33Å; D114-R157 IonicContact OD1-NE 2.67Å; D114-R157 VanDerWaalsContact OD2-CB 3.3Å; D114-R157 WeakPolarHBondContact OD2-CB 3.07Å; D114-R157 VanDerWaalsContact OD2-CD 3.29Å; D114-R157 WeakPolarHBondContact OD2-CD 3.45Å; D114-R157 IonicContact OD2-NE 2.82Å |
| 115 | E | 76.4 | Confident | 78.4 | Confident | 135 Ų | 135 | 25.4 Ų | 25.4 | 63% | 0.631 | 13% | 0.127 | S | C | * | . | S | Bend | trans | -71.3 | -36.5 | 169.9 | -65.3 | -171.6 | 163.6 | 0 | 0 | 111.1 | A110 N113 M201 | A110-E115 HydrophobicContact CB-CB 4.22Å; A110-E115 PolarHBondContact O-N 2.99Å; N113-E115 HydrophobicContact CB-CG 4.24Å; N113-E115 PolarHBondContact O-N 2.8Å; E115-M201 WeakPolarHBondContact O-CE 3.41Å |
| 116 | N | 79.8 | Confident | 79.7 | Confident | 20 Ų | 20 | 25.2 Ų | 25.2 | 11% | 0.107 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -108.7 | 115 | 169.6 | -76.5 | -35.4 | 0 | 0 | 0 | 108.6 | A110 I111 C118 M201 | A110-N116 HydrophobicContact CB-CB 4.4Å; A110-N116 WeakPolarHBondContact CB-ND2 3.1Å; A110-N116 PolarHBondContact O-N 3.23Å; I111-N116 HydrophobicContact CG1-CB 4.17Å; N116-C118 PolarHBondContact O-N 3.09Å; N116-M201 PolarHBondContact OD1-O 3.49Å |
| 117 | Y | 83.8 | Confident | 81.3 | Confident | 3 Ų | 3 | 24.5 Ų | 24.5 | 1% | 0.012 | 12% | 0.124 | C | C | . | . | trans | -59.5 | 130.1 | 170.8 | 173.7 | -94.1 | 0 | 0 | 0 | 110.3 | P119 R157 M201 L235 N544 H548 | Y117-P119 HydrophobicContact CE1-CB 4.42Å; Y117-R157 VanDerWaalsContact CE2-NH2 3.31Å; Y117-M201 VanDerWaalsContact CB-SD 3.55Å; Y117-M201 PolarHBondContact N-SD 3.3Å; Y117-L235 HydrophobicContact CD1-CD1 4.04Å; Y117-L235 HydrophobicContact CD1-CD2 3.9Å; Y117-L235 HydrophobicContact CE1-CD1 4.23Å; Y117-L235 HydrophobicContact CG-CD2 4.13Å; Y117-N544 HydrophobicContact CD2-CB 3.43Å; Y117-N544 VanDerWaalsContact CD2-CB 3.43Å; Y117-N544 HydrophobicContact CE2-CB 3.67Å; Y117-N544 HydrophobicContact CG-CB 4Å; Y117-H548 HydrophobicContact CE1-CB 3.61Å; Y117-H548 AromaticContact CE1-CG 3.64Å; Y117-H548 AromaticContact CE1-ND1 3.88Å | ||
| 118 | C | 85.6 | Confident | 82.7 | Confident | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.007 | 12% | 0.124 | C | C | . | . | trans | -135.9 | 127.9 | 174.6 | -177 | 0 | 0 | 0 | 0 | 108 | I111 N116 R157 L199 | I111-C118 HydrophobicContact CD1-CB 4.12Å; I111-C118 HydrophobicContact CG1-CB 4.19Å; I111-C118 HydrophobicContact CG2-CB 3.8Å; N116-C118 PolarHBondContact O-N 3.09Å; C118-R157 PolarHBondContact O-NH2 3.2Å; C118-L199 HydrophobicContact CB-CD1 3.97Å; C118-L199 HydrophobicContact CB-CD2 4.36Å | ||
| 119 | P | 86.9 | Confident | 83.6 | Confident | 3 Ų | 3 | 22.8 Ų | 22.8 | 2% | 0.019 | 12% | 0.117 | C | C | . | . | trans | -69.3 | 156.4 | -178.8 | 30.8 | -36.5 | 0 | 0 | 0 | 111.6 | Y117 E121 T122 A123 | Y117-P119 HydrophobicContact CE1-CB 4.42Å; P119-E121 PolarHBondContact O-N 2.88Å; P119-T122 PolarHBondContact O-N 2.83Å; P119-A123 WeakPolarHBondContact O-CB 3.47Å; P119-A123 PolarHBondContact O-N 3.08Å | ||
| 120 | P | 86 | Confident | 84.1 | Confident | 2 Ų | 2 | 19.4 Ų | 19.4 | 1% | 0.013 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -51.4 | -47.9 | -174.1 | -29.9 | 37.3 | 0 | 0 | 0 | 115.1 | A123 V124 V158 L532 | P120-A123 WeakPolarHBondContact O-CB 3.46Å; P120-A123 PolarHBondContact O-N 3.41Å; P120-V124 WeakPolarHBondContact O-CG2 3.4Å; P120-V124 PolarHBondContact O-N 3.31Å; P120-V158 HydrophobicContact CB-CG1 4.06Å; P120-L532 HydrophobicContact CB-CD1 4.02Å |
| 121 | E | 86.5 | Confident | 84.6 | Confident | 35 Ų | 35 | 19.1 Ų | 19.1 | 16% | 0.164 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -59.7 | -48.2 | 179.9 | 54.2 | -88.8 | -134.7 | 0 | 0 | 111.8 | P119 A123 V124 L125 L525 L528 L532 | P119-E121 PolarHBondContact O-N 2.88Å; E121-A123 VanDerWaalsContact C-N 3.34Å; E121-A123 PolarHBondContact O-N 3.01Å; E121-V124 PolarHBondContact O-N 2.98Å; E121-L125 PolarHBondContact O-N 3.2Å; E121-L125 VanDerWaalsContact O-N 3.08Å; E121-L525 HydrophobicContact CB-CD2 4.45Å; E121-L525 HydrophobicContact CG-CD2 4.39Å; E121-L528 HydrophobicContact CB-CB 3.93Å; E121-L532 HydrophobicContact CB-CD1 4.19Å |
| 122 | T | 87.8 | Confident | 84.9 | Confident | 15 Ų | 15 | 18.9 Ų | 18.9 | 9% | 0.092 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -67.3 | -36 | 176.6 | -54.4 | 0 | 0 | 0 | 0 | 111.3 | P119 V124 L125 L126 I195 L199 | P119-T122 PolarHBondContact O-N 2.83Å; T122-V124 VanDerWaalsContact C-N 3.35Å; T122-V124 PolarHBondContact O-N 3.48Å; T122-L125 PolarHBondContact O-N 2.84Å; T122-L126 HydrophobicContact CG2-CD1 3.87Å; T122-L126 HydrophobicContact CG2-CG 4.11Å; T122-L126 WeakPolarHBondContact O-CB 3.48Å; T122-L126 WeakPolarHBondContact O-CG 3.41Å; T122-L126 PolarHBondContact O-N 3.48Å; T122-I195 HydrophobicContact CG2-CG2 3.56Å; T122-L199 HydrophobicContact CG2-CD2 4.23Å |
| 123 | A | 87.9 | Confident | 85.3 | Confident | 4 Ų | 4 | 18.7 Ų | 18.7 | 3% | 0.033 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.1 | -38.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | P119 P120 E121 A127 L154 V158 | P119-A123 WeakPolarHBondContact O-CB 3.47Å; P119-A123 PolarHBondContact O-N 3.08Å; P120-A123 WeakPolarHBondContact O-CB 3.46Å; P120-A123 PolarHBondContact O-N 3.41Å; E121-A123 VanDerWaalsContact C-N 3.34Å; E121-A123 PolarHBondContact O-N 3.01Å; A123-A127 WeakPolarHBondContact O-CB 3.49Å; A123-A127 PolarHBondContact O-N 3.21Å; A123-L154 HydrophobicContact CB-CD2 3.88Å; A123-L154 WeakPolarHBondContact O-CD2 3.32Å; A123-V158 HydrophobicContact CB-CG2 4.26Å |
| 124 | V | 87.9 | Confident | 85.5 | Confident | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.006 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -70.8 | -44.5 | 175.5 | 179.2 | 0 | 0 | 0 | 0 | 111.7 | P120 E121 T122 L126 A127 S128 L154 W169 I173 L528 L532 | P120-V124 WeakPolarHBondContact O-CG2 3.4Å; P120-V124 PolarHBondContact O-N 3.31Å; E121-V124 PolarHBondContact O-N 2.98Å; T122-V124 VanDerWaalsContact C-N 3.35Å; T122-V124 PolarHBondContact O-N 3.48Å; V124-L126 PolarHBondContact O-N 3.17Å; V124-A127 WeakPolarHBondContact O-CB 3.39Å; V124-A127 PolarHBondContact O-N 3.21Å; V124-A127 VanDerWaalsContact O-N 3.11Å; V124-S128 PolarHBondContact O-N 2.86Å; V124-L154 HydrophobicContact CG2-CD1 4.41Å; V124-L154 HydrophobicContact CG2-CD2 4.15Å; V124-W169 HydrophobicContact CG2-CE3 4.22Å; V124-W169 HydrophobicContact CG2-CH2 4.29Å; V124-W169 HydrophobicContact CG2-CZ3 3.48Å; V124-W169 VanDerWaalsContact CG2-CZ3 3.48Å; V124-I173 HydrophobicContact CG1-CG1 4.05Å; V124-L528 HydrophobicContact CB-CD1 4.48Å; V124-L528 HydrophobicContact CB-CD2 3.87Å; V124-L528 HydrophobicContact CG1-CD2 3.51Å; V124-L532 HydrophobicContact CG2-CD1 4.19Å |
| 125 | L | 89.2 | Confident | 85.8 | Confident | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -60.6 | -47.2 | 177.2 | -174.8 | 56.2 | 0 | 0 | 0 | 110.6 | E121 T122 A127 S128 Y129 I195 V521 Q524 L525 L528 | E121-L125 PolarHBondContact O-N 3.2Å; E121-L125 VanDerWaalsContact O-N 3.08Å; T122-L125 PolarHBondContact O-N 2.84Å; L125-A127 VanDerWaalsContact C-N 3.32Å; L125-A127 PolarHBondContact O-N 3.21Å; L125-S128 PolarHBondContact O-N 3.26Å; L125-S128 PolarHBondContact O-OG 3.34Å; L125-Y129 HydrophobicContact CD1-CD2 4.23Å; L125-Y129 HydrophobicContact CD1-CE2 3.67Å; L125-Y129 HydrophobicContact CD2-CE2 4.36Å; L125-Y129 HydrophobicContact CG-CD2 4.12Å; L125-Y129 HydrophobicContact CG-CE2 3.72Å; L125-Y129 VanDerWaalsContact O-CD2 3.26Å; L125-Y129 WeakPolarHBondContact O-CD2 3.25Å; L125-Y129 PolarHBondContact O-N 3.36Å; L125-I195 HydrophobicContact CD2-CD1 3.99Å; L125-I195 HydrophobicContact CG-CD1 4.32Å; L125-V521 HydrophobicContact CD2-CG1 4.23Å; L125-Q524 HydrophobicContact CD1-CB 4.24Å; L125-Q524 HydrophobicContact CD2-CB 4.24Å; L125-L525 HydrophobicContact CB-CD2 4.31Å; L125-L525 HydrophobicContact CD2-CD2 3.72Å; L125-L525 HydrophobicContact CD2-CG 3.84Å; L125-L528 HydrophobicContact CB-CD1 3.73Å; L125-L528 HydrophobicContact CD1-CD1 4.43Å |
| 126 | L | 88.8 | Confident | 86.1 | Confident | 3 Ų | 3 | 13.6 Ų | 13.6 | 2% | 0.016 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -58.4 | -40.7 | 172.3 | -73.2 | 176.8 | 0 | 0 | 0 | 111.9 | I111 T122 V124 S128 Y129 A130 Y192 I195 | I111-L126 HydrophobicContact CD1-CD1 3.67Å; T122-L126 HydrophobicContact CG2-CD1 3.87Å; T122-L126 HydrophobicContact CG2-CG 4.11Å; T122-L126 WeakPolarHBondContact O-CB 3.48Å; T122-L126 WeakPolarHBondContact O-CG 3.41Å; T122-L126 PolarHBondContact O-N 3.48Å; V124-L126 PolarHBondContact O-N 3.17Å; L126-S128 VanDerWaalsContact C-N 3.34Å; L126-S128 PolarHBondContact O-N 3.33Å; L126-Y129 PolarHBondContact O-N 3Å; L126-A130 WeakPolarHBondContact O-CB 3.31Å; L126-A130 PolarHBondContact O-N 2.86Å; L126-Y192 HydrophobicContact CB-CD2 3.87Å; L126-Y192 HydrophobicContact CB-CE2 3.53Å; L126-Y192 HydrophobicContact CD2-CD1 4.2Å; L126-Y192 HydrophobicContact CD2-CD2 3.47Å; L126-Y192 VanDerWaalsContact CD2-CD2 3.47Å; L126-Y192 HydrophobicContact CD2-CE2 3.79Å; L126-Y192 HydrophobicContact CD2-CG 3.69Å; L126-Y192 VanDerWaalsContact CD2-O 3.3Å; L126-Y192 WeakPolarHBondContact CD2-O 3.46Å; L126-Y192 HydrophobicContact CG-CD2 4.26Å; L126-Y192 HydrophobicContact CG-CE2 4.16Å; L126-Y192 WeakPolarHBondContact O-CD2 3.39Å; L126-Y192 WeakPolarHBondContact O-CE2 3.39Å; L126-I195 HydrophobicContact CD2-CB 3.98Å; L126-I195 HydrophobicContact CD2-CG2 3.84Å; L126-I195 HydrophobicContact CG-CG2 4.14Å |
| 127 | A | 87.9 | Confident | 86.4 | Confident | 5 Ų | 5 | 15.2 Ų | 15.2 | 4% | 0.041 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -60.3 | -41.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A123 V124 L125 A130 V131 L154 I173 | A123-A127 WeakPolarHBondContact O-CB 3.49Å; A123-A127 PolarHBondContact O-N 3.21Å; V124-A127 WeakPolarHBondContact O-CB 3.39Å; V124-A127 PolarHBondContact O-N 3.21Å; V124-A127 VanDerWaalsContact O-N 3.11Å; L125-A127 VanDerWaalsContact C-N 3.32Å; L125-A127 PolarHBondContact O-N 3.21Å; A127-A130 PolarHBondContact O-N 3.18Å; A127-V131 WeakPolarHBondContact O-CG2 3.45Å; A127-V131 PolarHBondContact O-N 2.8Å; A127-L154 HydrophobicContact CB-CD2 4.13Å; A127-I173 HydrophobicContact CB-CD1 3.78Å; A127-I173 HydrophobicContact CB-CG1 4.15Å; A127-I173 HydrophobicContact CB-CG2 4.4Å |
| 128 | S | 88.8 | Confident | 86.3 | Confident | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -63.2 | -44.8 | 177.2 | 73.7 | 0 | 0 | 0 | 0 | 113 | V124 L125 L126 A130 V131 Q132 H180 | V124-S128 PolarHBondContact O-N 2.86Å; L125-S128 PolarHBondContact O-N 3.26Å; L125-S128 PolarHBondContact O-OG 3.34Å; L126-S128 VanDerWaalsContact C-N 3.34Å; L126-S128 PolarHBondContact O-N 3.33Å; S128-A130 VanDerWaalsContact C-N 3.31Å; S128-A130 PolarHBondContact O-N 3.01Å; S128-V131 PolarHBondContact O-N 2.98Å; S128-Q132 PolarHBondContact O-N 2.97Å; S128-H180 PolarHBondContact OG-NE2 3.4Å |
| 129 | Y | 88.6 | Confident | 86 | Confident | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.008 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -62.8 | -36.5 | 172.2 | -73.3 | -65.6 | 0 | 0 | 0 | 112.1 | L125 L126 V131 Q132 A133 H180 M183 S188 E191 I195 | L125-Y129 HydrophobicContact CD1-CD2 4.23Å; L125-Y129 HydrophobicContact CD1-CE2 3.67Å; L125-Y129 HydrophobicContact CD2-CE2 4.36Å; L125-Y129 HydrophobicContact CG-CD2 4.12Å; L125-Y129 HydrophobicContact CG-CE2 3.72Å; L125-Y129 VanDerWaalsContact O-CD2 3.26Å; L125-Y129 WeakPolarHBondContact O-CD2 3.25Å; L125-Y129 PolarHBondContact O-N 3.36Å; L126-Y129 PolarHBondContact O-N 3Å; Y129-V131 VanDerWaalsContact C-N 3.29Å; Y129-V131 PolarHBondContact O-N 2.77Å; Y129-Q132 PolarHBondContact O-N 3.24Å; Y129-A133 VanDerWaalsContact O-CB 3.25Å; Y129-A133 WeakPolarHBondContact O-CB 3.19Å; Y129-A133 PolarHBondContact O-N 3.22Å; Y129-H180 AromaticContact CD1-CE1 3.97Å; Y129-H180 AromaticContact CD1-NE2 3.88Å; Y129-H180 AromaticContact CE1-CE1 3.33Å; Y129-H180 WeakPolarHBondContact CE1-CE1 3.46Å; Y129-H180 AromaticContact CE1-CG 3.99Å; Y129-H180 AromaticContact CE1-ND1 3.49Å; Y129-H180 WeakPolarHBondContact CE1-ND1 3.45Å; Y129-H180 AromaticContact CE1-NE2 3.72Å; Y129-H180 AromaticContact CE2-CE1 3.88Å; Y129-H180 AromaticContact CZ-CE1 3.27Å; Y129-H180 AromaticContact CZ-ND1 3.84Å; Y129-H180 AromaticContact CZ-NE2 3.8Å; Y129-H180 PolarHBondContact OH-CE1 2.94Å; Y129-M183 HydrophobicContact CD1-SD 4.12Å; Y129-M183 HydrophobicContact CE1-CE 4.02Å; Y129-M183 HydrophobicContact CE1-SD 3.82Å; Y129-S188 PolarHBondContact O-OG 3.29Å; Y129-S188 VanDerWaalsContact O-OG 3.05Å; Y129-E191 HydrophobicContact CD1-CB 4.28Å; Y129-E191 HydrophobicContact CE1-CB 3.96Å; Y129-E191 HydrophobicContact CE1-CG 4Å; Y129-I195 HydrophobicContact CD2-CD1 4.01Å; Y129-I195 HydrophobicContact CE2-CD1 3.44Å; Y129-I195 VanDerWaalsContact CE2-CD1 3.44Å |
| 130 | A | 86.5 | Confident | 85.5 | Confident | 4 Ų | 4 | 24.6 Ų | 24.6 | 3% | 0.033 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -70.9 | -22.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | F103 K108 L126 A127 S128 K134 Y192 | F103-A130 HydrophobicContact CE2-CB 4.29Å; F103-A130 HydrophobicContact CZ-CB 4.03Å; K108-A130 HydrophobicContact CD-CB 4.39Å; L126-A130 WeakPolarHBondContact O-CB 3.31Å; L126-A130 PolarHBondContact O-N 2.86Å; A127-A130 PolarHBondContact O-N 3.18Å; S128-A130 VanDerWaalsContact C-N 3.31Å; S128-A130 PolarHBondContact O-N 3.01Å; A130-K134 WeakPolarHBondContact O-CB 3.44Å; A130-K134 PolarHBondContact O-N 3.23Å; A130-Y192 HydrophobicContact CB-CD2 4.22Å; A130-Y192 HydrophobicContact CB-CE2 3.85Å |
| 131 | V | 86.2 | Confident | 84.9 | Confident | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.012 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -77.6 | -50.7 | 170.4 | 172.3 | 0 | 0 | 0 | 0 | 110.2 | A127 S128 Y129 A133 K134 Y135 Y147 L148 L153 I173 H177 | A127-V131 WeakPolarHBondContact O-CG2 3.45Å; A127-V131 PolarHBondContact O-N 2.8Å; S128-V131 PolarHBondContact O-N 2.98Å; Y129-V131 VanDerWaalsContact C-N 3.29Å; Y129-V131 PolarHBondContact O-N 2.77Å; V131-A133 VanDerWaalsContact C-N 3.28Å; V131-A133 PolarHBondContact O-N 2.89Å; V131-K134 PolarHBondContact O-N 3.14Å; V131-Y135 HydrophobicContact CG1-CD2 3.89Å; V131-Y135 HydrophobicContact CG1-CE2 4.49Å; V131-Y135 PolarHBondContact O-N 2.83Å; V131-Y147 HydrophobicContact CG1-CE2 4.16Å; V131-L148 HydrophobicContact CB-CD2 4.45Å; V131-L148 HydrophobicContact CG1-CD1 4.49Å; V131-L148 HydrophobicContact CG1-CD2 3.84Å; V131-L148 HydrophobicContact CG2-CD1 4.09Å; V131-L148 HydrophobicContact CG2-CD2 3.67Å; V131-L153 HydrophobicContact CG2-CD2 3.97Å; V131-I173 HydrophobicContact CG2-CG2 4.01Å; V131-H177 WeakPolarHBondContact CG1-ND1 3.41Å |
| 132 | Q | 86.7 | Confident | 84.4 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -55.2 | -41.8 | 175.1 | 178 | 72.1 | 23.8 | 0 | 0 | 111.4 | S128 Y129 K134 G136 D137 H177 H180 M183 S188 | S128-Q132 PolarHBondContact O-N 2.97Å; Y129-Q132 PolarHBondContact O-N 3.24Å; Q132-K134 VanDerWaalsContact C-N 3.34Å; Q132-K134 PolarHBondContact O-N 3Å; Q132-G136 WeakPolarHBondContact O-CA 3.45Å; Q132-G136 PolarHBondContact O-N 2.88Å; Q132-D137 PolarHBondContact NE2-OD1 3.34Å; Q132-H177 PolarHBondContact OE1-CD2 3.45Å; Q132-H177 VanDerWaalsContact OE1-CD2 3.25Å; Q132-H177 PolarHBondContact OE1-NE2 2.91Å; Q132-H180 HydrophobicContact CB-CB 4.37Å; Q132-H180 HydrophobicContact CG-CB 4.07Å; Q132-M183 PolarHBondContact NE2-O 3.3Å; Q132-S188 WeakPolarHBondContact CB-OG 3.15Å; Q132-S188 WeakPolarHBondContact CG-OG 3.31Å |
| 133 | A | 85.3 | Confident | 83.8 | Confident | 13 Ų | 13 | 34.2 Ų | 34.2 | 11% | 0.107 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.1 | -32.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | F103 Y129 V131 R185 M189 | F103-A133 HydrophobicContact CE1-CB 4.29Å; F103-A133 HydrophobicContact CE2-CB 4.35Å; F103-A133 HydrophobicContact CZ-CB 3.83Å; Y129-A133 VanDerWaalsContact O-CB 3.25Å; Y129-A133 WeakPolarHBondContact O-CB 3.19Å; Y129-A133 PolarHBondContact O-N 3.22Å; V131-A133 VanDerWaalsContact C-N 3.28Å; V131-A133 PolarHBondContact O-N 2.89Å; A133-R185 WeakPolarHBondContact O-CD 3.37Å; A133-R185 WeakPolarHBondContact O-CG 3.19Å; A133-M189 HydrophobicContact CB-CG 3.7Å |
| 134 | K | 83.8 | Confident | 83.1 | Confident | 97 Ų | 97 | 41.3 Ų | 41.3 | 42% | 0.422 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -86.2 | -49.7 | -178.5 | 178.8 | -178.9 | 166.1 | -161.1 | 0 | 112.3 | A130 V131 Q132 D151 | A130-K134 WeakPolarHBondContact O-CB 3.44Å; A130-K134 PolarHBondContact O-N 3.23Å; V131-K134 PolarHBondContact O-N 3.14Å; Q132-K134 VanDerWaalsContact C-N 3.34Å; Q132-K134 PolarHBondContact O-N 3Å; K134-D151 IonicContact NZ-OD1 3.93Å; K134-D151 PolarHBondContact NZ-OD1 3.45Å; K134-D151 IonicContact NZ-OD2 3.06Å; K134-D151 PolarHBondContact NZ-OD2 2.93Å |
| 135 | Y | 81.1 | Confident | 82.2 | Confident | 66 Ų | 66 | 45.7 Ų | 45.7 | 26% | 0.259 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -93.1 | -29.5 | -173.2 | -67.1 | -93.1 | 0 | 0 | 0 | 112.4 | V131 Y147 L148 D151 R185 | V131-Y135 HydrophobicContact CG1-CD2 3.89Å; V131-Y135 HydrophobicContact CG1-CE2 4.49Å; V131-Y135 PolarHBondContact O-N 2.83Å; Y135-Y147 HydrophobicContact CD1-CD2 4.25Å; Y135-Y147 HydrophobicContact CD2-CE2 4.44Å; Y135-Y147 AromaticContact CE1-CD2 3.99Å; Y135-Y147 HydrophobicContact CE1-CD2 3.99Å; Y135-Y147 HydrophobicContact CE2-CD2 4.48Å; Y135-Y147 HydrophobicContact CG-CE2 4.44Å; Y135-Y147 PolarHBondContact OH-O 3.32Å; Y135-Y147 VanDerWaalsContact OH-O 3.06Å; Y135-L148 HydrophobicContact CD2-CD2 4.43Å; Y135-L148 HydrophobicContact CE2-CD2 3.79Å; Y135-D151 WeakPolarHBondContact CE2-OD2 3.42Å; Y135-D151 PolarHBondContact OH-OD2 2.99Å; Y135-R185 PolarHBondContact O-NH2 2.82Å |
| 136 | G | 84.1 | Confident | 81.2 | Confident | 9 Ų | 9 | 47.4 Ų | 47.4 | 9% | 0.093 | 26% | 0.26 | C | S | . | . | trans | 79.1 | -169.8 | -165 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q132 Y138 H177 | Q132-G136 WeakPolarHBondContact O-CA 3.45Å; Q132-G136 PolarHBondContact O-N 2.88Å; G136-Y138 PolarHBondContact O-N 3.4Å; G136-H177 PolarHBondContact O-NE2 3.49Å; G136-H177 VanDerWaalsContact O-NE2 3.1Å | ||
| 137 | D | 84.8 | Confident | 80.7 | Confident | 55 Ų | 55 | 49.1 Ų | 49.1 | 29% | 0.294 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -49.7 | 127.4 | -170.3 | -65.9 | -34.2 | 0 | 0 | 0 | 114.6 | Q132 N139 K181 G182 R321 | Q132-D137 PolarHBondContact NE2-OD1 3.34Å; D137-N139 PolarHBondContact O-N 3.08Å; D137-K181 HydrophobicContact CB-CG 4.43Å; D137-G182 WeakPolarHBondContact OD1-CA 3.47Å; D137-G182 PolarHBondContact OD1-N 3.2Å; D137-R321 IonicContact OD2-NH2 2.7Å; D137-R321 PolarHBondContact OD2-NH2 3.42Å |
| 138 | Y | 81 | Confident | 80 | Confident | 16 Ų | 16 | 48.9 Ų | 48.9 | 6% | 0.063 | 26% | 0.264 | C | S | . | . | trans | -57.1 | 131.2 | 175.5 | -177.9 | -122.1 | 0 | 0 | 0 | 112.7 | G136 K140 H143 Y147 Q174 H177 E178 | G136-Y138 PolarHBondContact O-N 3.4Å; Y138-K140 HydrophobicContact CE1-CD 4.39Å; Y138-K140 HydrophobicContact CE1-CG 3.74Å; Y138-H143 HydrophobicContact CD2-CB 3.81Å; Y138-H143 HydrophobicContact CE2-CB 3.59Å; Y138-Y147 HydrophobicContact CE2-CE1 4.45Å; Y138-Q174 HydrophobicContact CD2-CG 4.43Å; Y138-Q174 HydrophobicContact CE1-CG 4.21Å; Y138-Q174 HydrophobicContact CE2-CG 3.72Å; Y138-Q174 PolarHBondContact OH-NE2 3.33Å; Y138-Q174 PolarHBondContact OH-OE1 2.96Å; Y138-H177 AromaticContact CD2-ND1 3.87Å; Y138-E178 HydrophobicContact CD1-CB 3.65Å; Y138-E178 HydrophobicContact CD1-CG 3.86Å; Y138-E178 HydrophobicContact CE1-CB 4.14Å; Y138-E178 HydrophobicContact CE1-CG 4.34Å | ||
| 139 | N | 79.9 | Confident | 78.9 | Confident | 67 Ų | 67 | 52.3 Ų | 52.3 | 36% | 0.358 | 29% | 0.285 | S | S | . | . | trans | -141 | 121.1 | 176.8 | -178.7 | 7 | 0 | 0 | 0 | 110.2 | D137 D141 V142 H143 | D137-N139 PolarHBondContact O-N 3.08Å; N139-D141 VanDerWaalsContact C-N 3.28Å; N139-D141 PolarHBondContact O-N 3.17Å; N139-D141 PolarHBondContact OD1-N 3.37Å; N139-D141 PolarHBondContact OD1-OD2 3.4Å; N139-V142 PolarHBondContact O-N 2.92Å; N139-H143 PolarHBondContact N-ND1 2.76Å; N139-H143 VanDerWaalsContact N-ND1 3.15Å; N139-H143 WeakPolarHBondContact O-CB 3.24Å; N139-H143 PolarHBondContact O-N 3.5Å; N139-H143 PolarHBondContact O-ND1 2.85Å | ||
| 140 | K | 77.1 | Confident | 77.9 | Confident | 121 Ų | 121 | 61.3 Ų | 61.3 | 53% | 0.526 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -25.7 | -174.5 | -70.4 | 169.1 | 175.1 | 163.6 | 0 | 113.7 | Y138 E178 | Y138-K140 HydrophobicContact CE1-CD 4.39Å; Y138-K140 HydrophobicContact CE1-CG 3.74Å; K140-E178 VanDerWaalsContact CE-OE1 3.28Å; K140-E178 WeakPolarHBondContact CE-OE1 3.3Å; K140-E178 WeakPolarHBondContact CE-OE2 3.31Å; K140-E178 IonicContact NZ-OE1 2.62Å; K140-E178 PolarHBondContact NZ-OE1 3.45Å; K140-E178 IonicContact NZ-OE2 2.95Å; K140-E178 PolarHBondContact NZ-OE2 3.42Å |
| 141 | D | 73 | Confident | 77.1 | Confident | 130 Ų | 130 | 63 Ų | 63 | 70% | 0.695 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -29.8 | 179 | -54.5 | -44.3 | 0 | 0 | 0 | 112.8 | N139 | N139-D141 VanDerWaalsContact C-N 3.28Å; N139-D141 PolarHBondContact O-N 3.17Å; N139-D141 PolarHBondContact OD1-N 3.37Å; N139-D141 PolarHBondContact OD1-OD2 3.4Å |
| 142 | V | 76 | Confident | 76.5 | Confident | 103 Ų | 103 | 69.1 Ų | 69.1 | 62% | 0.624 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | -44 | -174.2 | 179.2 | 0 | 0 | 0 | 0 | 111.2 | N139 K144 | N139-V142 PolarHBondContact O-N 2.92Å; V142-K144 PolarHBondContact O-N 2.85Å |
| 143 | H | 76.3 | Confident | 75.8 | Confident | 20 Ų | 20 | 70.4 Ų | 70.4 | 9% | 0.093 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -92.4 | 76.9 | -175.7 | -56.7 | 92.5 | 0 | 0 | 0 | 109.9 | Y138 N139 Y147 | Y138-H143 HydrophobicContact CD2-CB 3.81Å; Y138-H143 HydrophobicContact CE2-CB 3.59Å; N139-H143 PolarHBondContact N-ND1 2.76Å; N139-H143 VanDerWaalsContact N-ND1 3.15Å; N139-H143 WeakPolarHBondContact O-CB 3.24Å; N139-H143 PolarHBondContact O-N 3.5Å; N139-H143 PolarHBondContact O-ND1 2.85Å; H143-Y147 HydrophobicContact CB-CD1 3.96Å; H143-Y147 HydrophobicContact CB-CD2 4.27Å; H143-Y147 HydrophobicContact CB-CE1 3.9Å; H143-Y147 HydrophobicContact CB-CE2 4.2Å; H143-Y147 HydrophobicContact CB-CG 4.14Å; H143-Y147 AromaticContact CD2-CD2 3.62Å; H143-Y147 AromaticContact CD2-CE2 3.51Å |
| 144 | K | 73.2 | Confident | 75.6 | Confident | 154 Ų | 154 | 70 Ų | 70 | 67% | 0.67 | 36% | 0.361 | S | S | * | . | trans | -73.4 | 153.8 | 174.8 | -61.8 | -178 | -179.3 | -179.3 | 0 | 110.6 | V142 G146 Y147 | V142-K144 PolarHBondContact O-N 2.85Å; K144-G146 PolarHBondContact O-N 2.85Å; K144-Y147 WeakPolarHBondContact O-CB 3.42Å; K144-Y147 WeakPolarHBondContact O-CD1 3.17Å; K144-Y147 PolarHBondContact O-N 2.76Å; K144-Y147 VanDerWaalsContact O-N 3.11Å | ||
| 145 | A | 68.6 | Low | 75.6 | Confident | 93 Ų | 93 | 65.5 Ų | 65.5 | 77% | 0.769 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48 | 134.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 146 | G | 68.5 | Low | 75.7 | Confident | 36 Ų | 36 | 68.4 Ų | 68.4 | 37% | 0.371 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.1 | 0.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | K144 L148 T149 E170 | K144-G146 PolarHBondContact O-N 2.85Å; G146-L148 PolarHBondContact O-N 2.88Å; G146-L148 VanDerWaalsContact O-N 3.11Å; G146-T149 VanDerWaalsContact CA-OG1 3.31Å; G146-T149 WeakPolarHBondContact CA-OG1 3.44Å; G146-T149 PolarHBondContact O-N 2.63Å; G146-T149 PolarHBondContact O-OG1 2.7Å; G146-E170 WeakPolarHBondContact CA-OE2 3.4Å |
| 147 | Y | 77.1 | Confident | 75.6 | Confident | 38 Ų | 38 | 68.9 Ų | 68.9 | 15% | 0.149 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -13.3 | 176.4 | 80.7 | -79.3 | 0 | 0 | 0 | 114.4 | V131 Y135 Y138 H143 K144 Q174 H177 | V131-Y147 HydrophobicContact CG1-CE2 4.16Å; Y135-Y147 HydrophobicContact CD1-CD2 4.25Å; Y135-Y147 HydrophobicContact CD2-CE2 4.44Å; Y135-Y147 AromaticContact CE1-CD2 3.99Å; Y135-Y147 HydrophobicContact CE1-CD2 3.99Å; Y135-Y147 HydrophobicContact CE2-CD2 4.48Å; Y135-Y147 HydrophobicContact CG-CE2 4.44Å; Y135-Y147 PolarHBondContact OH-O 3.32Å; Y135-Y147 VanDerWaalsContact OH-O 3.06Å; Y138-Y147 HydrophobicContact CE2-CE1 4.45Å; H143-Y147 HydrophobicContact CB-CD1 3.96Å; H143-Y147 HydrophobicContact CB-CD2 4.27Å; H143-Y147 HydrophobicContact CB-CE1 3.9Å; H143-Y147 HydrophobicContact CB-CE2 4.2Å; H143-Y147 HydrophobicContact CB-CG 4.14Å; H143-Y147 AromaticContact CD2-CD2 3.62Å; H143-Y147 AromaticContact CD2-CE2 3.51Å; K144-Y147 WeakPolarHBondContact O-CB 3.42Å; K144-Y147 WeakPolarHBondContact O-CD1 3.17Å; K144-Y147 PolarHBondContact O-N 2.76Å; K144-Y147 VanDerWaalsContact O-N 3.11Å; Y147-Q174 HydrophobicContact CE1-CG 4.49Å; Y147-H177 PolarHBondContact OH-ND1 3.41Å |
| 148 | L | 73.3 | Confident | 75.5 | Confident | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | -7.5 | 179.4 | -61.4 | 179 | 0 | 0 | 0 | 113.7 | V131 Y135 G146 H150 D151 L153 E170 I173 | V131-L148 HydrophobicContact CB-CD2 4.45Å; V131-L148 HydrophobicContact CG1-CD1 4.49Å; V131-L148 HydrophobicContact CG1-CD2 3.84Å; V131-L148 HydrophobicContact CG2-CD1 4.09Å; V131-L148 HydrophobicContact CG2-CD2 3.67Å; Y135-L148 HydrophobicContact CD2-CD2 4.43Å; Y135-L148 HydrophobicContact CE2-CD2 3.79Å; G146-L148 PolarHBondContact O-N 2.88Å; G146-L148 VanDerWaalsContact O-N 3.11Å; L148-H150 PolarHBondContact O-N 2.95Å; L148-D151 PolarHBondContact O-N 2.89Å; L148-L153 HydrophobicContact CB-CD1 4.05Å; L148-L153 HydrophobicContact CB-CD2 4.41Å; L148-L153 HydrophobicContact CD1-CD1 4.39Å; L148-L153 HydrophobicContact CD2-CD2 4.45Å; L148-E170 HydrophobicContact CB-CG 3.91Å; L148-E170 WeakPolarHBondContact CB-OE2 3.3Å; L148-E170 PolarHBondContact N-OE2 3.09Å; L148-I173 HydrophobicContact CD1-CG2 4.13Å |
| 149 | T | 65.9 | Low | 75.5 | Confident | 71 Ų | 71 | 68.7 Ų | 68.7 | 44% | 0.436 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -20.9 | -173.9 | -50.3 | 0 | 0 | 0 | 0 | 114.4 | G146 E170 | G146-T149 VanDerWaalsContact CA-OG1 3.31Å; G146-T149 WeakPolarHBondContact CA-OG1 3.44Å; G146-T149 PolarHBondContact O-N 2.63Å; G146-T149 PolarHBondContact O-OG1 2.7Å; T149-E170 WeakPolarHBondContact CA-OE1 3.43Å; T149-E170 VanDerWaalsContact CB-OE1 3.32Å; T149-E170 WeakPolarHBondContact CB-OE1 3.28Å; T149-E170 PolarHBondContact N-OE1 3.39Å; T149-E170 PolarHBondContact N-OE2 2.76Å; T149-E170 VanDerWaalsContact OG1-CD 3.3Å; T149-E170 PolarHBondContact OG1-OE1 2.86Å; T149-E170 PolarHBondContact OG1-OE2 2.8Å |
| 150 | H | 66.8 | Low | 75.6 | Confident | 192 Ų | 192 | 70.4 Ų | 70.4 | 89% | 0.889 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -11.8 | 174.2 | -67.2 | -49.4 | 0 | 0 | 0 | 114.6 | L148 | L148-H150 PolarHBondContact O-N 2.95Š|
| 151 | D | 70.3 | Confident | 75.8 | Confident | 39 Ų | 39 | 64.8 Ų | 64.8 | 21% | 0.209 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -85.9 | 140.5 | 177.4 | -91.9 | -31.7 | 0 | 0 | 0 | 112.1 | K134 Y135 L148 L153 | K134-D151 IonicContact NZ-OD1 3.93Å; K134-D151 PolarHBondContact NZ-OD1 3.45Å; K134-D151 IonicContact NZ-OD2 3.06Å; K134-D151 PolarHBondContact NZ-OD2 2.93Å; Y135-D151 WeakPolarHBondContact CE2-OD2 3.42Å; Y135-D151 PolarHBondContact OH-OD2 2.99Å; L148-D151 PolarHBondContact O-N 2.89Å; D151-L153 HydrophobicContact CB-CD2 3.76Å; D151-L153 HydrophobicContact CB-CG 4.24Å; D151-L153 PolarHBondContact O-N 2.93Å; D151-L153 VanDerWaalsContact O-N 3.09Å |
| 152 | R | 74.1 | Confident | 76.2 | Confident | 131 Ų | 131 | 59 Ų | 59 | 49% | 0.494 | 31% | 0.306 | S | S | . | . | trans | -80.4 | 88.5 | 167.3 | -167.6 | 178.5 | 176 | -166.2 | -1.8 | 108.4 | L112 N113 | L112-R152 VanDerWaalsContact C-NH2 3.33Å; L112-R152 HydrophobicContact CD1-CB 4.21Å; L112-R152 HydrophobicContact CD1-CG 4.09Å; L112-R152 WeakPolarHBondContact CD1-O 3.46Å; L112-R152 HydrophobicContact CD2-CG 4.26Å; L112-R152 WeakPolarHBondContact CD2-O 3.4Å; L112-R152 PolarHBondContact O-NH2 2.99Å; N113-R152 VanDerWaalsContact OD1-CZ 3.29Å; N113-R152 PolarHBondContact OD1-NH1 2.88Å; N113-R152 PolarHBondContact OD1-NH2 3.1Å | ||
| 153 | L | 72.1 | Confident | 76.3 | Confident | 27 Ų | 27 | 61 Ų | 61 | 14% | 0.141 | 31% | 0.307 | C | S | . | . | trans | -76.8 | -42.7 | -173.5 | -60.4 | 173.7 | 0 | 0 | 0 | 113.6 | V131 L148 D151 E170 I173 | V131-L153 HydrophobicContact CG2-CD2 3.97Å; L148-L153 HydrophobicContact CB-CD1 4.05Å; L148-L153 HydrophobicContact CB-CD2 4.41Å; L148-L153 HydrophobicContact CD1-CD1 4.39Å; L148-L153 HydrophobicContact CD2-CD2 4.45Å; D151-L153 HydrophobicContact CB-CD2 3.76Å; D151-L153 HydrophobicContact CB-CG 4.24Å; D151-L153 PolarHBondContact O-N 2.93Å; D151-L153 VanDerWaalsContact O-N 3.09Å; L153-E170 HydrophobicContact CD1-CG 4.14Å; L153-I173 HydrophobicContact CB-CD1 3.91Å; L153-I173 HydrophobicContact CD1-CD1 3.73Å; L153-I173 HydrophobicContact CG-CD1 4.32Å | ||
| 154 | L | 81.2 | Confident | 76.5 | Confident | 5 Ų | 5 | 61.5 Ų | 61.5 | 3% | 0.026 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -131.3 | 157 | -169.3 | -68.6 | 172.9 | 0 | 0 | 0 | 112.5 | L112 A123 V124 A127 V158 L159 W169 I173 | L112-L154 VanDerWaalsContact CD2-C 3.45Å; A123-L154 HydrophobicContact CB-CD2 3.88Å; A123-L154 WeakPolarHBondContact O-CD2 3.32Å; V124-L154 HydrophobicContact CG2-CD1 4.41Å; V124-L154 HydrophobicContact CG2-CD2 4.15Å; A127-L154 HydrophobicContact CB-CD2 4.13Å; L154-V158 HydrophobicContact CD1-CG1 4.41Å; L154-L159 HydrophobicContact CB-CD2 3.96Å; L154-L159 HydrophobicContact CB-CG 4.04Å; L154-L159 HydrophobicContact CD1-CD2 3.88Å; L154-W169 HydrophobicContact CD1-CD2 3.6Å; L154-W169 HydrophobicContact CD1-CE3 3.44Å; L154-W169 VanDerWaalsContact CD1-CE3 3.44Å; L154-W169 HydrophobicContact CD1-CG 4.19Å; L154-W169 HydrophobicContact CD1-CH2 4.03Å; L154-W169 HydrophobicContact CD1-CZ2 4.17Å; L154-W169 HydrophobicContact CD1-CZ3 3.69Å; L154-I173 HydrophobicContact CD1-CD1 4.28Å; L154-I173 HydrophobicContact CG-CD1 4.31Å |
| 155 | P | 83.8 | Confident | 76.9 | Confident | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.013 | 30% | 0.298 | C | S | . | . | trans | -62.3 | 145.2 | 170 | -17.1 | 30.2 | 0 | 0 | 0 | 111.3 | I111 R157 V158 L159 | I111-P155 HydrophobicContact CG2-CG 3.84Å; I111-P155 WeakPolarHBondContact O-CG 3.42Å; P155-R157 PolarHBondContact O-N 3.48Å; P155-V158 HydrophobicContact CB-CG2 4.25Å; P155-V158 HydrophobicContact CG-CG2 4.08Å; P155-V158 PolarHBondContact O-N 2.92Å; P155-L159 PolarHBondContact O-N 3.35Å | ||
| 156 | Q | 82.1 | Confident | 77.5 | Confident | 127 Ų | 127 | 60.1 Ų | 60.1 | 59% | 0.593 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -56 | -40.2 | 179.2 | 179.4 | 172.3 | -14.8 | 0 | 0 | 112 | V158 L159 E160 | Q156-V158 VanDerWaalsContact C-N 3.32Å; Q156-V158 PolarHBondContact O-N 3.36Å; Q156-L159 PolarHBondContact O-N 3.43Å; Q156-E160 HydrophobicContact CG-CG 4.27Å; Q156-E160 VanDerWaalsContact CG-OE1 3.28Å; Q156-E160 WeakPolarHBondContact CG-OE1 3.49Å; Q156-E160 PolarHBondContact NE2-OE1 3.2Å; Q156-E160 WeakPolarHBondContact O-CG 3.47Å; Q156-E160 PolarHBondContact O-N 3.27Å |
| 157 | R | 82.8 | Confident | 78.1 | Confident | 19 Ų | 19 | 65.2 Ų | 65.2 | 7% | 0.072 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -53.2 | -43.9 | 174.1 | -172.2 | -169.6 | 67.5 | 76.8 | -7.3 | 113.4 | D114 Y117 C118 P155 Q161 T542 D545 | D114-R157 IonicContact OD1-NE 2.67Å; D114-R157 VanDerWaalsContact OD2-CB 3.3Å; D114-R157 WeakPolarHBondContact OD2-CB 3.07Å; D114-R157 VanDerWaalsContact OD2-CD 3.29Å; D114-R157 WeakPolarHBondContact OD2-CD 3.45Å; D114-R157 IonicContact OD2-NE 2.82Å; Y117-R157 VanDerWaalsContact CE2-NH2 3.31Å; C118-R157 PolarHBondContact O-NH2 3.2Å; P155-R157 PolarHBondContact O-N 3.48Å; R157-Q161 WeakPolarHBondContact O-CB 3.32Å; R157-Q161 WeakPolarHBondContact O-CG 3.45Å; R157-Q161 PolarHBondContact O-N 2.98Å; R157-Q161 VanDerWaalsContact O-N 3.15Å; R157-T542 HydrophobicContact CG-CG2 3.84Å; R157-D545 IonicContact CZ-OD1 2.91Å; R157-D545 IonicContact CZ-OD2 3.91Å; R157-D545 IonicContact NH1-OD1 2.87Å; R157-D545 PolarHBondContact NH1-OD1 2.83Å; R157-D545 IonicContact NH1-OD2 3.24Å; R157-D545 PolarHBondContact NH1-OD2 2.71Å; R157-D545 IonicContact NH2-OD1 3.58Å |
| 158 | V | 81.7 | Confident | 78.4 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -71.1 | -40.5 | 180 | 177.8 | 0 | 0 | 0 | 0 | 110.8 | P120 A123 L154 P155 Q156 Q161 H162 W169 | P120-V158 HydrophobicContact CB-CG1 4.06Å; A123-V158 HydrophobicContact CB-CG2 4.26Å; L154-V158 HydrophobicContact CD1-CG1 4.41Å; P155-V158 HydrophobicContact CB-CG2 4.25Å; P155-V158 HydrophobicContact CG-CG2 4.08Å; P155-V158 PolarHBondContact O-N 2.92Å; Q156-V158 VanDerWaalsContact C-N 3.32Å; Q156-V158 PolarHBondContact O-N 3.36Å; V158-Q161 PolarHBondContact O-N 3.28Å; V158-H162 PolarHBondContact O-ND1 3.3Å; V158-W169 HydrophobicContact CG1-CH2 3.86Å; V158-W169 HydrophobicContact CG1-CZ2 4.13Å |
| 159 | L | 81.6 | Confident | 78.9 | Confident | 66 Ų | 66 | 67.7 Ų | 67.7 | 35% | 0.346 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.7 | -41.8 | 176.4 | -64.8 | 174.6 | 0 | 0 | 0 | 112 | L154 P155 Q156 W169 | L154-L159 HydrophobicContact CB-CD2 3.96Å; L154-L159 HydrophobicContact CB-CG 4.04Å; L154-L159 HydrophobicContact CD1-CD2 3.88Å; P155-L159 PolarHBondContact O-N 3.35Å; Q156-L159 PolarHBondContact O-N 3.43Å; L159-W169 HydrophobicContact CD2-CD2 4.32Å; L159-W169 HydrophobicContact CD2-CG 4.07Å |
| 160 | E | 81.9 | Confident | 79.7 | Confident | 103 Ų | 103 | 65.1 Ų | 65.1 | 48% | 0.481 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -72.1 | -30.2 | -179.8 | -73.3 | 177.9 | -173.9 | 0 | 0 | 113 | Q156 K540 | Q156-E160 HydrophobicContact CG-CG 4.27Å; Q156-E160 VanDerWaalsContact CG-OE1 3.28Å; Q156-E160 WeakPolarHBondContact CG-OE1 3.49Å; Q156-E160 PolarHBondContact NE2-OE1 3.2Å; Q156-E160 WeakPolarHBondContact O-CG 3.47Å; Q156-E160 PolarHBondContact O-N 3.27Å; E160-K540 WeakPolarHBondContact O-CD 3.41Å; E160-K540 WeakPolarHBondContact O-CE 3.35Å; E160-K540 PolarHBondContact O-NZ 3.18Å |
| 161 | Q | 81.4 | Confident | 80.6 | Confident | 4 Ų | 4 | 60.3 Ų | 60.3 | 2% | 0.019 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -76.5 | -13.6 | -177.7 | -82.8 | -179.7 | -0.5 | 0 | 0 | 115.7 | R157 V158 D537 K540 D545 | R157-Q161 WeakPolarHBondContact O-CB 3.32Å; R157-Q161 WeakPolarHBondContact O-CG 3.45Å; R157-Q161 PolarHBondContact O-N 2.98Å; R157-Q161 VanDerWaalsContact O-N 3.15Å; V158-Q161 PolarHBondContact O-N 3.28Å; Q161-D537 WeakPolarHBondContact O-CB 3.31Å; Q161-D537 PolarHBondContact O-N 2.83Å; Q161-K540 HydrophobicContact CG-CB 3.9Å; Q161-K540 WeakPolarHBondContact CG-O 3.43Å; Q161-K540 PolarHBondContact NE2-O 2.75Å; Q161-D545 PolarHBondContact NE2-OD2 3.03Å; Q161-D545 PolarHBondContact OE1-OD1 3.49Å |
| 162 | H | 81.6 | Confident | 81.2 | Confident | 8 Ų | 8 | 61.1 Ų | 61.1 | 4% | 0.037 | 28% | 0.283 | C | S | . | . | B | Isolated β-bridge | trans | -118.8 | 145.5 | -179 | -56.8 | 78.1 | 0 | 0 | 0 | 110.8 | V158 L164 W169 A535 | V158-H162 PolarHBondContact O-ND1 3.3Å; H162-L164 HydrophobicContact CB-CD1 4.16Å; H162-L164 HydrophobicContact CB-CG 4.15Å; H162-L164 PolarHBondContact O-N 2.87Å; H162-W169 HydrophobicContact CB-CH2 4.31Å; H162-W169 HydrophobicContact CB-CZ2 3.74Å; H162-W169 AromaticContact CG-CH2 4Å; H162-W169 AromaticContact CG-CZ2 3.84Å; H162-W169 AromaticContact ND1-CH2 3.89Å; H162-W169 AromaticContact ND1-CZ2 3.78Å; H162-A535 CarbonylContact C-O 3.58Å; H162-A535 VanDerWaalsContact CA-O 3.29Å; H162-A535 WeakPolarHBondContact CA-O 3.49Å |
| 163 | K | 79.1 | Confident | 81.8 | Confident | 146 Ų | 146 | 54.9 Ų | 54.9 | 64% | 0.635 | 26% | 0.26 | S | S | * | . | trans | -84 | 44.8 | -179.4 | -64.5 | 174.8 | -176.2 | 166.3 | 0 | 111.4 | A535 D537 | K163-A535 PolarHBondContact N-O 3.43Å; K163-D537 VanDerWaalsContact CE-CG 3.44Å; K163-D537 WeakPolarHBondContact CE-OD2 3.49Å; K163-D537 IonicContact NZ-OD1 3.24Å; K163-D537 IonicContact NZ-OD2 3.66Å; K163-D537 PolarHBondContact NZ-OD2 3.29Å | ||
| 164 | L | 79.3 | Confident | 82.5 | Confident | 30 Ų | 30 | 55.4 Ų | 55.4 | 16% | 0.157 | 26% | 0.261 | C | S | . | . | trans | -111.8 | 139.1 | -175.6 | -63.5 | 176 | 0 | 0 | 0 | 111.1 | H162 Q168 W169 L532 A535 | H162-L164 HydrophobicContact CB-CD1 4.16Å; H162-L164 HydrophobicContact CB-CG 4.15Å; H162-L164 PolarHBondContact O-N 2.87Å; L164-Q168 HydrophobicContact CB-CB 4.34Å; L164-Q168 HydrophobicContact CD2-CB 4.26Å; L164-W169 HydrophobicContact CB-CD2 4.41Å; L164-W169 HydrophobicContact CB-CG 4.46Å; L164-W169 HydrophobicContact CD1-CD2 4.05Å; L164-W169 HydrophobicContact CD1-CE3 4.13Å; L164-W169 HydrophobicContact CD1-CH2 4.05Å; L164-W169 HydrophobicContact CD1-CZ2 3.95Å; L164-W169 HydrophobicContact CD1-CZ3 4.11Å; L164-L532 HydrophobicContact CD1-CD2 4.49Å; L164-A535 HydrophobicContact CD1-CB 4.08Å; L164-A535 HydrophobicContact CD2-CB 3.77Å; L164-A535 HydrophobicContact CG-CB 3.81Å | ||
| 165 | T | 82.9 | Confident | 82.8 | Confident | 69 Ų | 69 | 58.1 Ų | 58.1 | 42% | 0.423 | 29% | 0.285 | S | S | . | . | trans | -73.1 | 165.2 | 170 | 69.8 | 0 | 0 | 0 | 0 | 110.9 | E167 Q168 W169 | T165-E167 VanDerWaalsContact C-N 3.27Å; T165-E167 PolarHBondContact O-N 3.2Å; T165-Q168 PolarHBondContact O-N 3.25Å; T165-Q168 WeakPolarHBondContact OG1-CG 3.23Å; T165-Q168 PolarHBondContact OG1-N 3.3Å; T165-W169 PolarHBondContact O-N 2.87Å; T165-W169 VanDerWaalsContact O-N 3.09Å | ||
| 166 | K | 79.1 | Confident | 82.9 | Confident | 149 Ų | 149 | 59.1 Ų | 59.1 | 65% | 0.648 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -59.2 | -40.7 | 173.3 | -71.4 | -172 | 176.4 | -174.1 | 0 | 112 | Q168 W169 E170 | K166-Q168 PolarHBondContact O-N 3.02Å; K166-W169 WeakPolarHBondContact O-CB 3.25Å; K166-W169 PolarHBondContact O-N 2.74Å; K166-W169 VanDerWaalsContact O-N 3.13Å; K166-E170 WeakPolarHBondContact O-CG 3.2Å; K166-E170 PolarHBondContact O-N 2.97Å |
| 167 | E | 81.3 | Confident | 83.1 | Confident | 143 Ų | 143 | 53.1 Ų | 53.1 | 67% | 0.668 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -59.5 | -46.6 | 177 | -65.2 | 158.7 | 178.4 | 0 | 0 | 110.9 | T165 W169 E170 D171 | T165-E167 VanDerWaalsContact C-N 3.27Å; T165-E167 PolarHBondContact O-N 3.2Å; E167-W169 VanDerWaalsContact C-N 3.27Å; E167-W169 PolarHBondContact O-N 3.18Å; E167-E170 PolarHBondContact O-N 3.22Å; E167-E170 VanDerWaalsContact O-N 3.08Å; E167-D171 PolarHBondContact O-N 3.11Å |
| 168 | Q | 83.5 | Confident | 83.3 | Confident | 84 Ų | 84 | 55.8 Ų | 55.8 | 39% | 0.393 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.2 | -29.2 | 175.8 | -70.5 | 170.6 | -29.4 | 0 | 0 | 113.4 | L164 T165 K166 R172 | L164-Q168 HydrophobicContact CB-CB 4.34Å; L164-Q168 HydrophobicContact CD2-CB 4.26Å; T165-Q168 PolarHBondContact O-N 3.25Å; T165-Q168 WeakPolarHBondContact OG1-CG 3.23Å; T165-Q168 PolarHBondContact OG1-N 3.3Å; K166-Q168 PolarHBondContact O-N 3.02Å; Q168-R172 WeakPolarHBondContact O-CB 3.45Å; Q168-R172 WeakPolarHBondContact O-CD 3.41Å; Q168-R172 VanDerWaalsContact O-CG 3.25Å; Q168-R172 WeakPolarHBondContact O-CG 3.45Å; Q168-R172 PolarHBondContact O-N 2.81Å |
| 169 | W | 84.6 | Confident | 83.5 | Confident | 7 Ų | 7 | 59.3 Ų | 59.3 | 3% | 0.027 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -72.2 | -41.5 | 170.4 | -77.6 | 118.8 | 0 | 0 | 0 | 112.2 | V124 L154 V158 L159 H162 L164 T165 K166 E167 I173 L532 | V124-W169 HydrophobicContact CG2-CE3 4.22Å; V124-W169 HydrophobicContact CG2-CH2 4.29Å; V124-W169 HydrophobicContact CG2-CZ3 3.48Å; V124-W169 VanDerWaalsContact CG2-CZ3 3.48Å; L154-W169 HydrophobicContact CD1-CD2 3.6Å; L154-W169 HydrophobicContact CD1-CE3 3.44Å; L154-W169 VanDerWaalsContact CD1-CE3 3.44Å; L154-W169 HydrophobicContact CD1-CG 4.19Å; L154-W169 HydrophobicContact CD1-CH2 4.03Å; L154-W169 HydrophobicContact CD1-CZ2 4.17Å; L154-W169 HydrophobicContact CD1-CZ3 3.69Å; V158-W169 HydrophobicContact CG1-CH2 3.86Å; V158-W169 HydrophobicContact CG1-CZ2 4.13Å; L159-W169 HydrophobicContact CD2-CD2 4.32Å; L159-W169 HydrophobicContact CD2-CG 4.07Å; H162-W169 HydrophobicContact CB-CH2 4.31Å; H162-W169 HydrophobicContact CB-CZ2 3.74Å; H162-W169 AromaticContact CG-CH2 4Å; H162-W169 AromaticContact CG-CZ2 3.84Å; H162-W169 AromaticContact ND1-CH2 3.89Å; H162-W169 AromaticContact ND1-CZ2 3.78Å; L164-W169 HydrophobicContact CB-CD2 4.41Å; L164-W169 HydrophobicContact CB-CG 4.46Å; L164-W169 HydrophobicContact CD1-CD2 4.05Å; L164-W169 HydrophobicContact CD1-CE3 4.13Å; L164-W169 HydrophobicContact CD1-CH2 4.05Å; L164-W169 HydrophobicContact CD1-CZ2 3.95Å; L164-W169 HydrophobicContact CD1-CZ3 4.11Å; T165-W169 PolarHBondContact O-N 2.87Å; T165-W169 VanDerWaalsContact O-N 3.09Å; K166-W169 WeakPolarHBondContact O-CB 3.25Å; K166-W169 PolarHBondContact O-N 2.74Å; K166-W169 VanDerWaalsContact O-N 3.13Å; E167-W169 VanDerWaalsContact C-N 3.27Å; E167-W169 PolarHBondContact O-N 3.18Å; W169-I173 WeakPolarHBondContact O-CB 3.47Å; W169-I173 WeakPolarHBondContact O-CD1 3.46Å; W169-I173 VanDerWaalsContact O-CG1 3.28Å; W169-I173 WeakPolarHBondContact O-CG1 3.46Å; W169-I173 PolarHBondContact O-N 3.39Å; W169-L532 HydrophobicContact CH2-CD2 3.61Å; W169-L532 HydrophobicContact CZ3-CD2 3.59Å |
| 170 | E | 83.7 | Confident | 83.6 | Confident | 16 Ų | 16 | 56.2 Ų | 56.2 | 8% | 0.075 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.7 | -46.1 | 174.9 | -70.6 | -175.1 | -132 | 0 | 0 | 111.4 | G146 L148 T149 L153 K166 E167 R172 I173 Q174 | G146-E170 WeakPolarHBondContact CA-OE2 3.4Å; L148-E170 HydrophobicContact CB-CG 3.91Å; L148-E170 WeakPolarHBondContact CB-OE2 3.3Å; L148-E170 PolarHBondContact N-OE2 3.09Å; T149-E170 WeakPolarHBondContact CA-OE1 3.43Å; T149-E170 VanDerWaalsContact CB-OE1 3.32Å; T149-E170 WeakPolarHBondContact CB-OE1 3.28Å; T149-E170 PolarHBondContact N-OE1 3.39Å; T149-E170 PolarHBondContact N-OE2 2.76Å; T149-E170 VanDerWaalsContact OG1-CD 3.3Å; T149-E170 PolarHBondContact OG1-OE1 2.86Å; T149-E170 PolarHBondContact OG1-OE2 2.8Å; L153-E170 HydrophobicContact CD1-CG 4.14Å; K166-E170 WeakPolarHBondContact O-CG 3.2Å; K166-E170 PolarHBondContact O-N 2.97Å; E167-E170 PolarHBondContact O-N 3.22Å; E167-E170 VanDerWaalsContact O-N 3.08Å; E170-R172 PolarHBondContact O-N 3.2Å; E170-I173 PolarHBondContact O-N 2.65Å; E170-Q174 WeakPolarHBondContact O-CB 3.49Å; E170-Q174 PolarHBondContact O-N 3.33Å |
| 171 | D | 84.2 | Confident | 83.5 | Confident | 91 Ų | 91 | 57.7 Ų | 57.7 | 49% | 0.487 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -58.6 | -45.8 | 177.2 | -75.6 | -31.8 | 0 | 0 | 0 | 112.3 | E167 Q174 A175 | E167-D171 PolarHBondContact O-N 3.11Å; D171-Q174 PolarHBondContact O-N 3.45Å; D171-A175 PolarHBondContact O-N 3.3Å |
| 172 | R | 84.4 | Confident | 83.3 | Confident | 57 Ų | 57 | 59.3 Ų | 59.3 | 22% | 0.215 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.1 | -50.5 | 176 | -75.4 | 169.8 | 176.1 | -122.9 | 2.1 | 111 | Q168 E170 Q174 A175 W176 E531 | Q168-R172 WeakPolarHBondContact O-CB 3.45Å; Q168-R172 WeakPolarHBondContact O-CD 3.41Å; Q168-R172 VanDerWaalsContact O-CG 3.25Å; Q168-R172 WeakPolarHBondContact O-CG 3.45Å; Q168-R172 PolarHBondContact O-N 2.81Å; E170-R172 PolarHBondContact O-N 3.2Å; R172-Q174 PolarHBondContact O-N 3Å; R172-A175 PolarHBondContact O-N 2.87Å; R172-A175 VanDerWaalsContact O-N 3.16Å; R172-W176 PolarHBondContact O-N 3.32Å; R172-W176 VanDerWaalsContact O-N 3.16Å; R172-E531 VanDerWaalsContact NH1-C 3.33Å; R172-E531 PolarHBondContact NH1-O 2.93Å; R172-E531 PolarHBondContact NH2-O 3.43Å |
| 173 | I | 86.6 | Confident | 83.3 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.3 | -33.4 | 179.8 | -69.8 | 165.7 | 0 | 0 | 0 | 111.2 | V124 A127 V131 L148 L153 L154 W169 E170 H177 | V124-I173 HydrophobicContact CG1-CG1 4.05Å; A127-I173 HydrophobicContact CB-CD1 3.78Å; A127-I173 HydrophobicContact CB-CG1 4.15Å; A127-I173 HydrophobicContact CB-CG2 4.4Å; V131-I173 HydrophobicContact CG2-CG2 4.01Å; L148-I173 HydrophobicContact CD1-CG2 4.13Å; L153-I173 HydrophobicContact CB-CD1 3.91Å; L153-I173 HydrophobicContact CD1-CD1 3.73Å; L153-I173 HydrophobicContact CG-CD1 4.32Å; L154-I173 HydrophobicContact CD1-CD1 4.28Å; L154-I173 HydrophobicContact CG-CD1 4.31Å; W169-I173 WeakPolarHBondContact O-CB 3.47Å; W169-I173 WeakPolarHBondContact O-CD1 3.46Å; W169-I173 VanDerWaalsContact O-CG1 3.28Å; W169-I173 WeakPolarHBondContact O-CG1 3.46Å; W169-I173 PolarHBondContact O-N 3.39Å; E170-I173 PolarHBondContact O-N 2.65Å; I173-H177 VanDerWaalsContact O-CB 3.28Å; I173-H177 WeakPolarHBondContact O-CB 3.35Å; I173-H177 PolarHBondContact O-N 3.11Å |
| 174 | Q | 85.4 | Confident | 83.4 | Confident | 38 Ų | 38 | 55.8 Ų | 55.8 | 18% | 0.178 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.7 | -39.2 | 174.1 | -178.4 | -177.4 | -95.1 | 0 | 0 | 112.7 | Y138 Y147 E170 D171 R172 H177 E178 | Y138-Q174 HydrophobicContact CD2-CG 4.43Å; Y138-Q174 HydrophobicContact CE1-CG 4.21Å; Y138-Q174 HydrophobicContact CE2-CG 3.72Å; Y138-Q174 PolarHBondContact OH-NE2 3.33Å; Y138-Q174 PolarHBondContact OH-OE1 2.96Å; Y147-Q174 HydrophobicContact CE1-CG 4.49Å; E170-Q174 WeakPolarHBondContact O-CB 3.49Å; E170-Q174 PolarHBondContact O-N 3.33Å; D171-Q174 PolarHBondContact O-N 3.45Å; R172-Q174 PolarHBondContact O-N 3Å; Q174-H177 WeakPolarHBondContact O-CB 3.44Å; Q174-H177 PolarHBondContact O-N 3.16Å; Q174-E178 PolarHBondContact O-N 3.16Å |
| 175 | A | 87.6 | Confident | 83.7 | Confident | 62 Ų | 62 | 60.5 Ų | 60.5 | 51% | 0.512 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.3 | -45.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | D171 R172 H177 E178 E179 | D171-A175 PolarHBondContact O-N 3.3Å; R172-A175 PolarHBondContact O-N 2.87Å; R172-A175 VanDerWaalsContact O-N 3.16Å; A175-H177 VanDerWaalsContact C-N 3.31Å; A175-H177 PolarHBondContact O-N 3.47Å; A175-E178 PolarHBondContact O-N 2.9Å; A175-E179 PolarHBondContact O-N 3.38Å |
| 176 | W | 86.8 | Confident | 83.6 | Confident | 23 Ų | 23 | 58.8 Ų | 58.8 | 9% | 0.087 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.2 | -30.1 | 174.2 | -67.2 | 106.6 | 0 | 0 | 0 | 112.7 | R172 E179 H180 Q524 T527 L528 E531 | R172-W176 PolarHBondContact O-N 3.32Å; R172-W176 VanDerWaalsContact O-N 3.16Å; W176-E179 VanDerWaalsContact CZ3-OE2 3.25Å; W176-E179 WeakPolarHBondContact CZ3-OE2 3.41Å; W176-E179 PolarHBondContact O-N 2.88Å; W176-H180 PolarHBondContact O-CD2 3.32Å; W176-H180 PolarHBondContact O-NE2 3Å; W176-Q524 HydrophobicContact CE3-CG 4.42Å; W176-Q524 HydrophobicContact CH2-CB 4.49Å; W176-Q524 HydrophobicContact CZ3-CB 3.99Å; W176-Q524 HydrophobicContact CZ3-CG 3.81Å; W176-T527 HydrophobicContact CH2-CG2 3.84Å; W176-T527 HydrophobicContact CZ2-CG2 3.84Å; W176-L528 HydrophobicContact CD2-CD1 4.4Å; W176-L528 HydrophobicContact CD2-CG 4.4Å; W176-L528 HydrophobicContact CH2-CG 4.49Å; W176-L528 HydrophobicContact CZ2-CD1 4.43Å; W176-L528 HydrophobicContact CZ2-CD2 4.16Å; W176-L528 HydrophobicContact CZ2-CG 3.72Å; W176-E531 PolarHBondContact NE1-OE2 3.18Å |
| 177 | H | 86.4 | Confident | 83.8 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.6 | -37.7 | 172.1 | -178.7 | -154.8 | 0 | 0 | 0 | 112.5 | V131 Q132 G136 Y138 Y147 I173 Q174 A175 E179 H180 | V131-H177 WeakPolarHBondContact CG1-ND1 3.41Å; Q132-H177 PolarHBondContact OE1-CD2 3.45Å; Q132-H177 VanDerWaalsContact OE1-CD2 3.25Å; Q132-H177 PolarHBondContact OE1-NE2 2.91Å; G136-H177 PolarHBondContact O-NE2 3.49Å; G136-H177 VanDerWaalsContact O-NE2 3.1Å; Y138-H177 AromaticContact CD2-ND1 3.87Å; Y147-H177 PolarHBondContact OH-ND1 3.41Å; I173-H177 VanDerWaalsContact O-CB 3.28Å; I173-H177 WeakPolarHBondContact O-CB 3.35Å; I173-H177 PolarHBondContact O-N 3.11Å; Q174-H177 WeakPolarHBondContact O-CB 3.44Å; Q174-H177 PolarHBondContact O-N 3.16Å; A175-H177 VanDerWaalsContact C-N 3.31Å; A175-H177 PolarHBondContact O-N 3.47Å; H177-E179 PolarHBondContact O-N 3.35Å; H177-H180 PolarHBondContact O-N 3.04Å |
| 178 | E | 86.1 | Confident | 84.1 | Confident | 75 Ų | 75 | 47.1 Ų | 47.1 | 35% | 0.35 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.6 | -28.3 | 174.7 | -171.8 | 156.8 | -157.4 | 0 | 0 | 112.3 | Y138 K140 Q174 A175 K181 | Y138-E178 HydrophobicContact CD1-CB 3.65Å; Y138-E178 HydrophobicContact CD1-CG 3.86Å; Y138-E178 HydrophobicContact CE1-CB 4.14Å; Y138-E178 HydrophobicContact CE1-CG 4.34Å; K140-E178 VanDerWaalsContact CE-OE1 3.28Å; K140-E178 WeakPolarHBondContact CE-OE1 3.3Å; K140-E178 WeakPolarHBondContact CE-OE2 3.31Å; K140-E178 IonicContact NZ-OE1 2.62Å; K140-E178 PolarHBondContact NZ-OE1 3.45Å; K140-E178 IonicContact NZ-OE2 2.95Å; K140-E178 PolarHBondContact NZ-OE2 3.42Å; Q174-E178 PolarHBondContact O-N 3.16Å; A175-E178 PolarHBondContact O-N 2.9Å; E178-K181 WeakPolarHBondContact O-CB 3.48Å |
| 179 | E | 85.9 | Confident | 84.2 | Confident | 74 Ų | 74 | 43.7 Ų | 43.7 | 35% | 0.346 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -71 | -25.6 | 175.6 | -146.2 | -145.9 | 132.3 | 0 | 0 | 113.6 | A175 W176 H177 K181 R520 Q524 | A175-E179 PolarHBondContact O-N 3.38Å; W176-E179 VanDerWaalsContact CZ3-OE2 3.25Å; W176-E179 WeakPolarHBondContact CZ3-OE2 3.41Å; W176-E179 PolarHBondContact O-N 2.88Å; H177-E179 PolarHBondContact O-N 3.35Å; E179-K181 VanDerWaalsContact C-N 3.31Å; E179-K181 PolarHBondContact O-N 3.36Å; E179-R520 VanDerWaalsContact CD-NH2 3.3Å; E179-R520 PolarHBondContact O-NH2 3.12Å; E179-R520 IonicContact OE1-CZ 2.68Å; E179-R520 IonicContact OE1-NE 2.75Å; E179-R520 PolarHBondContact OE1-NE 3.38Å; E179-R520 IonicContact OE1-NH2 3.26Å; E179-R520 PolarHBondContact OE1-NH2 2.91Å; E179-Q524 VanDerWaalsContact CD-NE2 3.26Å; E179-Q524 PolarHBondContact OE1-NE2 3.38Å; E179-Q524 PolarHBondContact OE2-NE2 3.02Å |
| 180 | H | 83.5 | Confident | 84.3 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.009 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 1.9 | -178.6 | -59.9 | -45.3 | 0 | 0 | 0 | 114 | S128 Y129 Q132 W176 H177 G182 M183 | S128-H180 PolarHBondContact OG-NE2 3.4Å; Y129-H180 AromaticContact CD1-CE1 3.97Å; Y129-H180 AromaticContact CD1-NE2 3.88Å; Y129-H180 AromaticContact CE1-CE1 3.33Å; Y129-H180 WeakPolarHBondContact CE1-CE1 3.46Å; Y129-H180 AromaticContact CE1-CG 3.99Å; Y129-H180 AromaticContact CE1-ND1 3.49Å; Y129-H180 WeakPolarHBondContact CE1-ND1 3.45Å; Y129-H180 AromaticContact CE1-NE2 3.72Å; Y129-H180 AromaticContact CE2-CE1 3.88Å; Y129-H180 AromaticContact CZ-CE1 3.27Å; Y129-H180 AromaticContact CZ-ND1 3.84Å; Y129-H180 AromaticContact CZ-NE2 3.8Å; Y129-H180 PolarHBondContact OH-CE1 2.94Å; Q132-H180 HydrophobicContact CB-CB 4.37Å; Q132-H180 HydrophobicContact CG-CB 4.07Å; W176-H180 PolarHBondContact O-CD2 3.32Å; W176-H180 PolarHBondContact O-NE2 3Å; H177-H180 PolarHBondContact O-N 3.04Å; H180-G182 PolarHBondContact O-N 2.96Å; H180-M183 WeakPolarHBondContact O-CB 3.32Å; H180-M183 PolarHBondContact O-N 3.08Å |
| 181 | K | 80.6 | Confident | 84.4 | Confident | 134 Ų | 134 | 44.9 Ų | 44.9 | 58% | 0.583 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | 126 | -177.3 | -173.3 | 175.8 | -175.1 | 173.2 | 0 | 112.7 | D137 E178 E179 | D137-K181 HydrophobicContact CB-CG 4.43Å; E178-K181 WeakPolarHBondContact O-CB 3.48Å; E179-K181 VanDerWaalsContact C-N 3.31Å; E179-K181 PolarHBondContact O-N 3.36Å |
| 182 | G | 77.8 | Confident | 84.6 | Confident | 37 Ų | 37 | 40.9 Ų | 40.9 | 38% | 0.381 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 103.1 | -23.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | D137 H180 L184 R321 | D137-G182 WeakPolarHBondContact OD1-CA 3.47Å; D137-G182 PolarHBondContact OD1-N 3.2Å; H180-G182 PolarHBondContact O-N 2.96Å; G182-L184 PolarHBondContact O-N 3.18Å; G182-R321 PolarHBondContact O-NH1 3.36Å |
| 183 | M | 81.4 | Confident | 84.8 | Confident | 40 Ų | 40 | 38.2 Ų | 38.2 | 20% | 0.197 | 19% | 0.194 | C | C | . | . | trans | -66.3 | 130.2 | -178.4 | -172.6 | 176.5 | -72.4 | 0 | 0 | 111.7 | Y129 Q132 H180 D187 | Y129-M183 HydrophobicContact CD1-SD 4.12Å; Y129-M183 HydrophobicContact CE1-CE 4.02Å; Y129-M183 HydrophobicContact CE1-SD 3.82Å; Q132-M183 PolarHBondContact NE2-O 3.3Å; H180-M183 WeakPolarHBondContact O-CB 3.32Å; H180-M183 PolarHBondContact O-N 3.08Å; M183-D187 HydrophobicContact CG-CB 3.95Å | ||
| 184 | L | 81.3 | Confident | 84.8 | Confident | 40 Ų | 40 | 40.1 Ų | 40.1 | 21% | 0.209 | 20% | 0.202 | C | C | . | . | trans | -62.2 | 147.7 | 174.7 | -68 | 171.6 | 0 | 0 | 0 | 110.5 | G182 E186 D187 S188 Q318 | G182-L184 PolarHBondContact O-N 3.18Å; L184-E186 PolarHBondContact O-N 3.4Å; L184-D187 HydrophobicContact CB-CB 4.33Å; L184-D187 PolarHBondContact O-N 3.47Å; L184-D187 VanDerWaalsContact O-N 3.14Å; L184-S188 WeakPolarHBondContact O-CB 3.45Å; L184-S188 PolarHBondContact O-N 3.29Å; L184-Q318 HydrophobicContact CD1-CG 4.43Å | ||
| 185 | R | 84.1 | Confident | 84.9 | Confident | 130 Ų | 130 | 38.7 Ų | 38.7 | 49% | 0.491 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -56.2 | -36.2 | 174.8 | -67.8 | 179.7 | 177.3 | 165.1 | -0.4 | 111.8 | A133 Y135 S188 M189 | A133-R185 WeakPolarHBondContact O-CD 3.37Å; A133-R185 WeakPolarHBondContact O-CG 3.19Å; Y135-R185 PolarHBondContact O-NH2 2.82Å; R185-S188 PolarHBondContact O-N 2.76Å; R185-M189 WeakPolarHBondContact O-CG 3.48Å; R185-M189 PolarHBondContact O-N 2.92Å |
| 186 | E | 81.1 | Confident | 84.8 | Confident | 32 Ų | 32 | 35.7 Ų | 35.7 | 15% | 0.15 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.6 | -53.7 | 174.5 | -60.3 | 170.5 | -138.8 | 0 | 0 | 111.7 | E96 L184 S188 M189 M190 K317 | E96-E186 HydrophobicContact CG-CG 4.11Å; L184-E186 PolarHBondContact O-N 3.4Å; E186-S188 VanDerWaalsContact C-N 3.28Å; E186-S188 PolarHBondContact O-N 3.43Å; E186-M189 PolarHBondContact O-N 3.24Å; E186-M190 PolarHBondContact O-N 3.18Å; E186-K317 VanDerWaalsContact CD-NZ 3.26Å; E186-K317 IonicContact OE1-NZ 3.42Å; E186-K317 PolarHBondContact OE1-NZ 2.98Å; E186-K317 IonicContact OE2-NZ 2.65Å; E186-K317 PolarHBondContact OE2-NZ 3.19Å |
| 187 | D | 83.5 | Confident | 84.8 | Confident | 48 Ų | 48 | 34.9 Ų | 34.9 | 26% | 0.257 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -63.4 | -35.1 | 177.5 | -66.1 | -42.1 | 0 | 0 | 0 | 111.7 | M183 L184 M190 E191 K314 | M183-D187 HydrophobicContact CG-CB 3.95Å; L184-D187 HydrophobicContact CB-CB 4.33Å; L184-D187 PolarHBondContact O-N 3.47Å; L184-D187 VanDerWaalsContact O-N 3.14Å; D187-M190 WeakPolarHBondContact O-CB 3.41Å; D187-M190 PolarHBondContact O-N 2.93Å; D187-E191 WeakPolarHBondContact O-CB 3.19Å; D187-E191 PolarHBondContact O-N 3.13Å; D187-K314 IonicContact OD1-NZ 3.42Å; D187-K314 PolarHBondContact OD1-NZ 3.18Å; D187-K314 IonicContact OD2-NZ 2.75Å |
| 188 | S | 86.7 | Confident | 84.8 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -67 | -38.9 | 176.1 | -161.6 | 0 | 0 | 0 | 0 | 112.9 | Y129 Q132 L184 R185 E186 Y192 | Y129-S188 PolarHBondContact O-OG 3.29Å; Y129-S188 VanDerWaalsContact O-OG 3.05Å; Q132-S188 WeakPolarHBondContact CB-OG 3.15Å; Q132-S188 WeakPolarHBondContact CG-OG 3.31Å; L184-S188 WeakPolarHBondContact O-CB 3.45Å; L184-S188 PolarHBondContact O-N 3.29Å; R185-S188 PolarHBondContact O-N 2.76Å; E186-S188 VanDerWaalsContact C-N 3.28Å; E186-S188 PolarHBondContact O-N 3.43Å; S188-Y192 VanDerWaalsContact O-CB 3.31Å; S188-Y192 WeakPolarHBondContact O-CB 3.45Å; S188-Y192 PolarHBondContact O-N 3.1Å; S188-Y192 VanDerWaalsContact O-N 3.12Å |
| 189 | M | 86.3 | Confident | 84.8 | Confident | 12 Ų | 12 | 32.8 Ų | 32.8 | 6% | 0.059 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.1 | -36.9 | 170.7 | -70.7 | -175.1 | -64.1 | 0 | 0 | 111.8 | R100 F103 A133 R185 E186 L193 | R100-M189 HydrophobicContact CB-CE 4.07Å; R100-M189 HydrophobicContact CB-SD 3.91Å; R100-M189 HydrophobicContact CG-SD 4.02Å; F103-M189 HydrophobicContact CB-CB 4.17Å; F103-M189 HydrophobicContact CB-CG 4.26Å; F103-M189 HydrophobicContact CB-SD 4.41Å; F103-M189 HydrophobicContact CD1-CG 3.71Å; F103-M189 HydrophobicContact CD1-SD 3.72Å; F103-M189 HydrophobicContact CD2-CB 4.05Å; F103-M189 HydrophobicContact CD2-CG 3.9Å; F103-M189 HydrophobicContact CE1-CG 3.99Å; F103-M189 HydrophobicContact CE1-SD 4.21Å; F103-M189 HydrophobicContact CE2-CG 4.17Å; F103-M189 HydrophobicContact CG-CB 4.01Å; F103-M189 HydrophobicContact CG-CG 3.69Å; F103-M189 HydrophobicContact CG-SD 4.12Å; F103-M189 HydrophobicContact CZ-CG 4.22Å; A133-M189 HydrophobicContact CB-CG 3.7Å; R185-M189 WeakPolarHBondContact O-CG 3.48Å; R185-M189 PolarHBondContact O-N 2.92Å; E186-M189 PolarHBondContact O-N 3.24Å; M189-L193 VanDerWaalsContact O-CG 3.32Å; M189-L193 WeakPolarHBondContact O-CG 3.4Å; M189-L193 PolarHBondContact O-N 2.92Å; M189-L193 VanDerWaalsContact O-N 3.12Å |
| 190 | M | 86.5 | Confident | 84.6 | Confident | 21 Ų | 21 | 30.6 Ų | 30.6 | 10% | 0.103 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.6 | -47.6 | 175.9 | -178.8 | 56.7 | 71 | 0 | 0 | 111.9 | V89 L93 Q99 E186 D187 Y192 L193 K194 | V89-M190 HydrophobicContact CB-SD 4.36Å; V89-M190 HydrophobicContact CG2-SD 3.95Å; V89-M190 WeakPolarHBondContact O-CE 3.49Å; L93-M190 HydrophobicContact CB-CE 4.46Å; Q99-M190 HydrophobicContact CG-CE 3.9Å; E186-M190 PolarHBondContact O-N 3.18Å; D187-M190 WeakPolarHBondContact O-CB 3.41Å; D187-M190 PolarHBondContact O-N 2.93Å; M190-Y192 VanDerWaalsContact C-N 3.33Å; M190-Y192 PolarHBondContact O-N 2.98Å; M190-L193 CarbonylContact O-C 3.58Å; M190-L193 WeakPolarHBondContact O-CA 3.28Å; M190-L193 WeakPolarHBondContact O-CB 3.4Å; M190-L193 PolarHBondContact O-N 3.49Å; M190-K194 WeakPolarHBondContact O-CG 3.28Å; M190-K194 PolarHBondContact O-N 2.78Å |
| 191 | E | 86.5 | Confident | 84.7 | Confident | 26 Ų | 26 | 31.1 Ų | 31.1 | 12% | 0.121 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.7 | -39.8 | -179.8 | -147.2 | 74 | 165.6 | 0 | 0 | 111.5 | Y129 D187 L193 K194 I195 N518 | Y129-E191 HydrophobicContact CD1-CB 4.28Å; Y129-E191 HydrophobicContact CE1-CB 3.96Å; Y129-E191 HydrophobicContact CE1-CG 4Å; D187-E191 WeakPolarHBondContact O-CB 3.19Å; D187-E191 PolarHBondContact O-N 3.13Å; E191-L193 VanDerWaalsContact C-N 3.31Å; E191-L193 PolarHBondContact O-N 3.37Å; E191-K194 PolarHBondContact O-N 2.94Å; E191-K194 IonicContact OE1-NZ 3.75Å; E191-K194 WeakPolarHBondContact OE2-CD 3.41Å; E191-K194 WeakPolarHBondContact OE2-CE 3.19Å; E191-K194 IonicContact OE2-NZ 3.35Å; E191-K194 PolarHBondContact OE2-NZ 3.44Å; E191-I195 WeakPolarHBondContact O-CG1 3.36Å; E191-I195 PolarHBondContact O-N 2.76Å; E191-N518 PolarHBondContact OE1-ND2 2.95Å |
| 192 | Y | 88.3 | Confident | 84.9 | Confident | 8 Ų | 8 | 25.3 Ų | 25.3 | 3% | 0.031 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -56.3 | -43.3 | 170 | -177.8 | -82.7 | 0 | 0 | 0 | 112 | F103 V107 K108 L126 A130 S188 M190 A196 | F103-Y192 AromaticContact CD2-CD1 3.31Å; F103-Y192 HydrophobicContact CD2-CD1 3.31Å; F103-Y192 HydrophobicContact CD2-CD2 4.35Å; F103-Y192 AromaticContact CD2-CE1 3.73Å; F103-Y192 HydrophobicContact CD2-CE1 3.73Å; F103-Y192 AromaticContact CD2-CG 3.67Å; F103-Y192 HydrophobicContact CD2-CG 3.67Å; F103-Y192 AromaticContact CE2-CD1 3.6Å; F103-Y192 HydrophobicContact CE2-CD1 3.6Å; F103-Y192 AromaticContact CE2-CD2 3.79Å; F103-Y192 HydrophobicContact CE2-CD2 3.79Å; F103-Y192 AromaticContact CE2-CE1 3.88Å; F103-Y192 HydrophobicContact CE2-CE1 3.88Å; F103-Y192 HydrophobicContact CE2-CE2 4.1Å; F103-Y192 AromaticContact CE2-CG 3.55Å; F103-Y192 HydrophobicContact CE2-CG 3.55Å; F103-Y192 HydrophobicContact CG-CD1 4.48Å; V107-Y192 HydrophobicContact CB-CE1 3.75Å; V107-Y192 HydrophobicContact CG1-CD1 4.09Å; V107-Y192 HydrophobicContact CG1-CE1 3.29Å; K108-Y192 WeakPolarHBondContact CA-OH 3.33Å; L126-Y192 HydrophobicContact CB-CD2 3.87Å; L126-Y192 HydrophobicContact CB-CE2 3.53Å; L126-Y192 HydrophobicContact CD2-CD1 4.2Å; L126-Y192 HydrophobicContact CD2-CD2 3.47Å; L126-Y192 VanDerWaalsContact CD2-CD2 3.47Å; L126-Y192 HydrophobicContact CD2-CE2 3.79Å; L126-Y192 HydrophobicContact CD2-CG 3.69Å; L126-Y192 VanDerWaalsContact CD2-O 3.3Å; L126-Y192 WeakPolarHBondContact CD2-O 3.46Å; L126-Y192 HydrophobicContact CG-CD2 4.26Å; L126-Y192 HydrophobicContact CG-CE2 4.16Å; L126-Y192 WeakPolarHBondContact O-CD2 3.39Å; L126-Y192 WeakPolarHBondContact O-CE2 3.39Å; A130-Y192 HydrophobicContact CB-CD2 4.22Å; A130-Y192 HydrophobicContact CB-CE2 3.85Å; S188-Y192 VanDerWaalsContact O-CB 3.31Å; S188-Y192 WeakPolarHBondContact O-CB 3.45Å; S188-Y192 PolarHBondContact O-N 3.1Å; S188-Y192 VanDerWaalsContact O-N 3.12Å; M190-Y192 VanDerWaalsContact C-N 3.33Å; M190-Y192 PolarHBondContact O-N 2.98Å; Y192-A196 VanDerWaalsContact O-CB 3.22Å; Y192-A196 WeakPolarHBondContact O-CB 3.41Å; Y192-A196 PolarHBondContact O-N 2.76Å |
| 193 | L | 87.8 | Confident | 85.1 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -69.5 | -37.5 | 176.7 | -74.2 | 174.2 | 0 | 0 | 0 | 112.6 | V89 L93 F102 F103 V107 M189 M190 E191 A196 Q197 | V89-L193 HydrophobicContact CB-CB 4.14Å; V89-L193 HydrophobicContact CG1-CB 4.13Å; V89-L193 HydrophobicContact CG2-CB 3.92Å; L93-L193 HydrophobicContact CD1-CD1 3.93Å; F102-L193 HydrophobicContact CB-CD1 3.98Å; F102-L193 HydrophobicContact CB-CD2 4.24Å; F103-L193 HydrophobicContact CB-CD1 4.35Å; F103-L193 HydrophobicContact CB-CG 4.38Å; V107-L193 HydrophobicContact CB-CD2 4.46Å; V107-L193 HydrophobicContact CG2-CD2 3.73Å; M189-L193 VanDerWaalsContact O-CG 3.32Å; M189-L193 WeakPolarHBondContact O-CG 3.4Å; M189-L193 PolarHBondContact O-N 2.92Å; M189-L193 VanDerWaalsContact O-N 3.12Å; M190-L193 CarbonylContact O-C 3.58Å; M190-L193 WeakPolarHBondContact O-CA 3.28Å; M190-L193 WeakPolarHBondContact O-CB 3.4Å; M190-L193 PolarHBondContact O-N 3.49Å; E191-L193 VanDerWaalsContact C-N 3.31Å; E191-L193 PolarHBondContact O-N 3.37Å; L193-A196 PolarHBondContact O-N 2.75Å; L193-Q197 PolarHBondContact O-N 3.21Å |
| 194 | K | 86.7 | Confident | 85.5 | Confident | 40 Ų | 40 | 22.6 Ų | 22.6 | 17% | 0.174 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62.9 | -42.5 | 175.3 | -68 | -175.4 | -166.8 | 165 | 0 | 112.2 | V89 M190 E191 A196 Q197 E514 | V89-K194 HydrophobicContact CG2-CG 4.03Å; M190-K194 WeakPolarHBondContact O-CG 3.28Å; M190-K194 PolarHBondContact O-N 2.78Å; E191-K194 PolarHBondContact O-N 2.94Å; E191-K194 IonicContact OE1-NZ 3.75Å; E191-K194 WeakPolarHBondContact OE2-CD 3.41Å; E191-K194 WeakPolarHBondContact OE2-CE 3.19Å; E191-K194 IonicContact OE2-NZ 3.35Å; E191-K194 PolarHBondContact OE2-NZ 3.44Å; K194-A196 VanDerWaalsContact C-N 3.35Å; K194-Q197 WeakPolarHBondContact O-CG 3.12Å; K194-E514 HydrophobicContact CB-CB 4.36Å; K194-E514 HydrophobicContact CB-CG 4.07Å; K194-E514 HydrophobicContact CD-CG 4.25Å; K194-E514 IonicContact NZ-OE1 2.71Å |
| 195 | I | 87.2 | Confident | 85.8 | Confident | 8 Ų | 8 | 22.3 Ų | 22.3 | 4% | 0.041 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -70.1 | -36.6 | 177.5 | -67 | 166.9 | 0 | 0 | 0 | 110.2 | T122 L125 L126 Y129 E191 E514 V521 | T122-I195 HydrophobicContact CG2-CG2 3.56Å; L125-I195 HydrophobicContact CD2-CD1 3.99Å; L125-I195 HydrophobicContact CG-CD1 4.32Å; L126-I195 HydrophobicContact CD2-CB 3.98Å; L126-I195 HydrophobicContact CD2-CG2 3.84Å; L126-I195 HydrophobicContact CG-CG2 4.14Å; Y129-I195 HydrophobicContact CD2-CD1 4.01Å; Y129-I195 HydrophobicContact CE2-CD1 3.44Å; Y129-I195 VanDerWaalsContact CE2-CD1 3.44Å; E191-I195 WeakPolarHBondContact O-CG1 3.36Å; E191-I195 PolarHBondContact O-N 2.76Å; I195-E514 HydrophobicContact CG1-CG 4.47Å; I195-V521 HydrophobicContact CD1-CG1 4.01Å; I195-V521 HydrophobicContact CD1-CG2 4.22Å; I195-V521 HydrophobicContact CG1-CG1 4.02Å |
| 196 | A | 86.8 | Confident | 86.1 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -73.9 | -31.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | V107 Y192 L193 K194 D198 L199 Y202 | V107-A196 HydrophobicContact CB-CB 4.37Å; V107-A196 HydrophobicContact CG1-CB 3.37Å; V107-A196 HydrophobicContact CG2-CB 4.08Å; Y192-A196 VanDerWaalsContact O-CB 3.22Å; Y192-A196 WeakPolarHBondContact O-CB 3.41Å; Y192-A196 PolarHBondContact O-N 2.76Å; L193-A196 PolarHBondContact O-N 2.75Å; K194-A196 VanDerWaalsContact C-N 3.35Å; A196-D198 PolarHBondContact O-N 2.87Å; A196-L199 WeakPolarHBondContact O-CB 3.46Å; A196-L199 WeakPolarHBondContact O-CG 3.49Å; A196-L199 PolarHBondContact O-N 2.85Å; A196-Y202 HydrophobicContact CB-CD2 4.46Å; A196-Y202 VanDerWaalsContact O-CB 3.24Å; A196-Y202 WeakPolarHBondContact O-CB 3.35Å |
| 197 | Q | 86.7 | Confident | 86.5 | Confident | 5 Ų | 5 | 16.7 Ų | 16.7 | 2% | 0.023 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -66.1 | -24.1 | 179.7 | 65.1 | 175.8 | 2.8 | 0 | 0 | 113.3 | D88 V89 L193 K194 L199 Y202 K558 | D88-Q197 PolarHBondContact OD1-NE2 3.1Å; V89-Q197 HydrophobicContact CG1-CB 4.39Å; V89-Q197 HydrophobicContact CG2-CG 4.49Å; L193-Q197 PolarHBondContact O-N 3.21Å; K194-Q197 WeakPolarHBondContact O-CG 3.12Å; Q197-L199 VanDerWaalsContact C-N 3.32Å; Q197-Y202 VanDerWaalsContact CA-CD1 3.5Å; Q197-Y202 HydrophobicContact CB-CD1 3.93Å; Q197-Y202 HydrophobicContact CB-CE1 3.66Å; Q197-K558 PolarHBondContact O-NZ 3.2Å |
| 198 | D | 86.1 | Confident | 86.8 | Confident | 22 Ų | 22 | 19.5 Ų | 19.5 | 12% | 0.118 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -21.4 | 175.7 | -70.5 | -24.2 | 0 | 0 | 0 | 113.7 | A196 T513 E514 K558 Y559 | A196-D198 PolarHBondContact O-N 2.87Å; D198-T513 HydrophobicContact CB-CG2 4.03Å; D198-T513 VanDerWaalsContact CG-CB 3.47Å; D198-T513 WeakPolarHBondContact OD1-CA 3.4Å; D198-T513 WeakPolarHBondContact OD2-CA 3.42Å; D198-T513 VanDerWaalsContact OD2-CB 3.22Å; D198-T513 WeakPolarHBondContact OD2-CB 3.35Å; D198-E514 PolarHBondContact OD2-N 3.07Å; D198-K558 WeakPolarHBondContact O-CB 3.4Å; D198-K558 VanDerWaalsContact O-CD 3.27Å; D198-K558 WeakPolarHBondContact O-CD 3.17Å; D198-Y559 WeakPolarHBondContact OD1-CE2 3.34Å |
| 199 | L | 85.9 | Confident | 87.1 | Confident | 10 Ų | 10 | 19.6 Ų | 19.6 | 5% | 0.052 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -62.3 | 135.6 | -179.6 | -64 | 174.6 | 0 | 0 | 0 | 110.8 | I111 C118 T122 A196 Q197 M201 Y202 K558 | I111-L199 HydrophobicContact CD1-CD1 3.65Å; I111-L199 HydrophobicContact CG1-CD1 4.38Å; C118-L199 HydrophobicContact CB-CD1 3.97Å; C118-L199 HydrophobicContact CB-CD2 4.36Å; T122-L199 HydrophobicContact CG2-CD2 4.23Å; A196-L199 WeakPolarHBondContact O-CB 3.46Å; A196-L199 WeakPolarHBondContact O-CG 3.49Å; A196-L199 PolarHBondContact O-N 2.85Å; Q197-L199 VanDerWaalsContact C-N 3.32Å; L199-M201 PolarHBondContact O-N 2.77Å; L199-M201 VanDerWaalsContact O-N 3.14Å; L199-Y202 WeakPolarHBondContact O-CB 3.45Å; L199-Y202 PolarHBondContact O-N 2.79Å; L199-K558 WeakPolarHBondContact O-CE 3.42Å; L199-K558 PolarHBondContact O-NZ 2.94Å |
| 200 | E | 82.9 | Confident | 87.3 | Confident | 27 Ų | 27 | 23 Ų | 23 | 13% | 0.126 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -35.2 | -169.8 | -59.2 | 96.7 | 129.1 | 0 | 0 | 112.9 | L235 H548 | E200-L235 HydrophobicContact CB-CB 4.34Å; E200-L235 HydrophobicContact CB-CD2 4.42Å; E200-H548 IonicContact OE1-CE1 3.6Å; E200-H548 PolarHBondContact OE1-CE1 3.22Å; E200-H548 IonicContact OE1-CG 3.7Å; E200-H548 IonicContact OE1-ND1 2.72Å; E200-H548 PolarHBondContact OE1-ND1 3.3Å; E200-H548 IonicContact OE2-CE1 3.56Å; E200-H548 IonicContact OE2-ND1 3.9Å |
| 201 | M | 85.1 | Confident | 87.4 | Confident | 14 Ų | 14 | 22 Ų | 22 | 7% | 0.069 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -17.2 | 178.9 | -56.4 | -168.3 | 63.8 | 0 | 0 | 114.2 | E115 N116 Y117 L199 G203 V204 Y206 L235 | E115-M201 WeakPolarHBondContact O-CE 3.41Å; N116-M201 PolarHBondContact OD1-O 3.49Å; Y117-M201 VanDerWaalsContact CB-SD 3.55Å; Y117-M201 PolarHBondContact N-SD 3.3Å; L199-M201 PolarHBondContact O-N 2.77Å; L199-M201 VanDerWaalsContact O-N 3.14Å; M201-G203 PolarHBondContact O-N 2.84Å; M201-V204 WeakPolarHBondContact O-CB 3.17Å; M201-V204 PolarHBondContact O-N 2.68Å; M201-V204 VanDerWaalsContact O-N 3.1Å; M201-Y206 HydrophobicContact CB-CE2 4.39Å; M201-Y206 HydrophobicContact CE-CD2 4.41Å; M201-Y206 HydrophobicContact CE-CE2 3.65Å; M201-Y206 WeakPolarHBondContact CG-OH 3.3Å; M201-L235 HydrophobicContact CG-CD2 3.64Å; M201-L235 HydrophobicContact SD-CD2 3.85Å |
| 202 | Y | 84.4 | Confident | 87.3 | Confident | 11 Ų | 11 | 28.3 Ų | 28.3 | 4% | 0.043 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | 128.6 | -175.5 | 172.9 | -82.3 | 0 | 0 | 0 | 111.7 | F85 V89 V107 A196 Q197 L199 V204 K558 | F85-Y202 HydrophobicContact CD1-CD1 4.48Å; F85-Y202 AromaticContact CD1-CE1 3.82Å; F85-Y202 HydrophobicContact CD1-CE1 3.82Å; F85-Y202 HydrophobicContact CD1-CE2 4.07Å; F85-Y202 AromaticContact CD1-CZ 3.6Å; F85-Y202 HydrophobicContact CE1-CD2 4.44Å; F85-Y202 HydrophobicContact CE1-CE1 4.44Å; F85-Y202 HydrophobicContact CE1-CE2 4.05Å; V89-Y202 WeakPolarHBondContact CG1-OH 3.48Å; V107-Y202 HydrophobicContact CG2-CD2 3.98Å; V107-Y202 HydrophobicContact CG2-CE2 3.55Å; A196-Y202 HydrophobicContact CB-CD2 4.46Å; A196-Y202 VanDerWaalsContact O-CB 3.24Å; A196-Y202 WeakPolarHBondContact O-CB 3.35Å; Q197-Y202 VanDerWaalsContact CA-CD1 3.5Å; Q197-Y202 HydrophobicContact CB-CD1 3.93Å; Q197-Y202 HydrophobicContact CB-CE1 3.66Å; L199-Y202 WeakPolarHBondContact O-CB 3.45Å; L199-Y202 PolarHBondContact O-N 2.79Å; Y202-V204 VanDerWaalsContact C-N 3.25Å; Y202-V204 PolarHBondContact O-N 2.76Å; Y202-K558 PolarHBondContact O-NZ 3.28Å |
| 203 | G | 82.9 | Confident | 87.1 | Confident | 6 Ų | 6 | 34.2 Ų | 34.2 | 6% | 0.062 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | -10.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115 | M201 N205 | M201-G203 PolarHBondContact O-N 2.84Å; G203-N205 PolarHBondContact O-N 3.32Å; G203-N205 PolarHBondContact O-ND2 3.26Å |
| 204 | V | 88.1 | Confident | 86.9 | Confident | 15 Ų | 15 | 35.8 Ų | 35.8 | 9% | 0.091 | 17% | 0.173 | C | C | . | . | trans | -85.9 | 114.1 | -169.1 | -173.4 | 0 | 0 | 0 | 0 | 111.4 | M201 Y202 Y206 D222 Y229 | M201-V204 WeakPolarHBondContact O-CB 3.17Å; M201-V204 PolarHBondContact O-N 2.68Å; M201-V204 VanDerWaalsContact O-N 3.1Å; Y202-V204 VanDerWaalsContact C-N 3.25Å; Y202-V204 PolarHBondContact O-N 2.76Å; V204-Y206 HydrophobicContact CB-CD2 4.29Å; V204-Y206 HydrophobicContact CB-CE2 3.66Å; V204-Y206 HydrophobicContact CG1-CD1 4.17Å; V204-Y206 HydrophobicContact CG1-CD2 3.99Å; V204-Y206 HydrophobicContact CG1-CE1 3.84Å; V204-Y206 HydrophobicContact CG1-CE2 3.62Å; V204-Y206 HydrophobicContact CG1-CG 4.24Å; V204-Y206 VanDerWaalsContact O-CD2 3.31Å; V204-Y206 WeakPolarHBondContact O-CD2 3.31Å; V204-Y206 PolarHBondContact O-N 3.29Å; V204-D222 HydrophobicContact CG2-CB 4.39Å; V204-Y229 HydrophobicContact CG1-CE2 4.33Å | ||
| 205 | N | 88.8 | Confident | 87 | Confident | 34 Ų | 34 | 36.3 Ų | 36.3 | 18% | 0.182 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 99.5 | 171.5 | -75.3 | -109.4 | 0 | 0 | 0 | 109.7 | G203 F207 V221 L284 | G203-N205 PolarHBondContact O-N 3.32Å; G203-N205 PolarHBondContact O-ND2 3.26Å; N205-F207 HydrophobicContact CB-CE2 3.92Å; N205-F207 WeakPolarHBondContact O-CD2 3.37Å; N205-F207 WeakPolarHBondContact O-CE2 3.24Å; N205-V221 HydrophobicContact CB-CB 4.31Å; N205-V221 WeakPolarHBondContact CB-O 3.46Å; N205-V221 PolarHBondContact N-O 2.93Å; N205-V221 PolarHBondContact O-N 3.3Å; N205-L284 HydrophobicContact CB-CD1 3.87Å; N205-L284 WeakPolarHBondContact OD1-CD1 3.41Å |
| 206 | Y | 89.6 | Confident | 87.2 | Confident | 36 Ų | 36 | 41 Ų | 41 | 14% | 0.141 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 142.5 | 179.6 | -63.8 | -90.3 | 0 | 0 | 0 | 113.5 | M201 V204 W218 L219 Y229 K234 | M201-Y206 HydrophobicContact CB-CE2 4.39Å; M201-Y206 HydrophobicContact CE-CD2 4.41Å; M201-Y206 HydrophobicContact CE-CE2 3.65Å; M201-Y206 WeakPolarHBondContact CG-OH 3.3Å; V204-Y206 HydrophobicContact CB-CD2 4.29Å; V204-Y206 HydrophobicContact CB-CE2 3.66Å; V204-Y206 HydrophobicContact CG1-CD1 4.17Å; V204-Y206 HydrophobicContact CG1-CD2 3.99Å; V204-Y206 HydrophobicContact CG1-CE1 3.84Å; V204-Y206 HydrophobicContact CG1-CE2 3.62Å; V204-Y206 HydrophobicContact CG1-CG 4.24Å; V204-Y206 VanDerWaalsContact O-CD2 3.31Å; V204-Y206 WeakPolarHBondContact O-CD2 3.31Å; V204-Y206 PolarHBondContact O-N 3.29Å; Y206-W218 HydrophobicContact CD1-CB 4.35Å; Y206-L219 CarbonylContact C-O 3.45Å; Y206-L219 WeakPolarHBondContact CA-O 3.5Å; Y206-Y229 HydrophobicContact CE1-CD1 4.37Å; Y206-Y229 HydrophobicContact CE1-CD2 4.3Å; Y206-Y229 HydrophobicContact CE1-CE1 4.1Å; Y206-Y229 HydrophobicContact CE1-CE2 4.06Å; Y206-Y229 HydrophobicContact CE1-CG 4.49Å; Y206-Y229 AromaticContact CE1-CZ 3.97Å; Y206-K234 HydrophobicContact CD1-CG 4.44Å; Y206-K234 HydrophobicContact CE1-CB 3.9Å; Y206-K234 HydrophobicContact CE1-CG 4.24Å; Y206-K234 PolarHBondContact OH-O 2.97Å |
| 207 | F | 90.3 | Very high | 87.4 | Confident | 8 Ų | 8 | 41.1 Ų | 41.1 | 4% | 0.035 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 135.4 | 177 | -66.6 | -81.8 | 0 | 0 | 0 | 112.3 | N205 I209 W218 L219 V221 I277 R280 I281 L284 | N205-F207 HydrophobicContact CB-CE2 3.92Å; N205-F207 WeakPolarHBondContact O-CD2 3.37Å; N205-F207 WeakPolarHBondContact O-CE2 3.24Å; F207-I209 PolarHBondContact O-N 2.84Å; F207-W218 WeakPolarHBondContact O-CA 3.36Å; F207-L219 HydrophobicContact CB-CB 4.38Å; F207-L219 PolarHBondContact N-O 2.75Å; F207-L219 PolarHBondContact O-N 3.12Å; F207-V221 HydrophobicContact CD2-CG2 4.07Å; F207-V221 HydrophobicContact CE2-CG2 3.99Å; F207-I277 HydrophobicContact CD1-CG2 3.56Å; F207-I277 HydrophobicContact CE1-CG2 4.07Å; F207-I277 HydrophobicContact CG-CG2 4.44Å; F207-R280 HydrophobicContact CE1-CB 4.16Å; F207-R280 HydrophobicContact CE1-CG 4.25Å; F207-R280 VanDerWaalsContact CE1-NH2 3.32Å; F207-R280 HydrophobicContact CZ-CB 4.32Å; F207-R280 HydrophobicContact CZ-CG 4.12Å; F207-R280 VanDerWaalsContact CZ-NE 3.27Å; F207-I281 HydrophobicContact CB-CD1 4.05Å; F207-I281 HydrophobicContact CB-CG1 4.31Å; F207-I281 HydrophobicContact CD1-CD1 4.08Å; F207-I281 HydrophobicContact CD1-CG1 3.67Å; F207-I281 HydrophobicContact CD2-CD1 4.35Å; F207-I281 HydrophobicContact CD2-CG1 3.71Å; F207-I281 HydrophobicContact CE1-CG1 3.68Å; F207-I281 HydrophobicContact CE2-CG1 3.77Å; F207-I281 HydrophobicContact CG-CD1 3.92Å; F207-I281 HydrophobicContact CG-CG1 3.63Å; F207-I281 HydrophobicContact CZ-CG1 3.74Å; F207-L284 HydrophobicContact CE2-CD1 3.86Å; F207-L284 HydrophobicContact CZ-CD1 3.69Å |
| 208 | E | 90 | Very high | 87.7 | Confident | 106 Ų | 106 | 42.3 Ų | 42.3 | 50% | 0.495 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 121.8 | 170.5 | -65.3 | 167 | -161.6 | 0 | 0 | 110.7 | W218 P273 | E208-W218 HydrophobicContact CG-CE3 4.13Å; E208-W218 HydrophobicContact CG-CH2 3.54Å; E208-W218 HydrophobicContact CG-CZ2 4.24Å; E208-W218 HydrophobicContact CG-CZ3 3.51Å; E208-P273 WeakPolarHBondContact O-CD 3.28Å |
| 209 | I | 91.5 | Very high | 88 | Confident | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.015 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 168.6 | 175.4 | 62.6 | 153.3 | 0 | 0 | 0 | 110.9 | F207 L217 L219 I228 F270 Y271 F577 | F207-I209 PolarHBondContact O-N 2.84Å; I209-L217 HydrophobicContact CD1-CB 4.37Å; I209-L217 HydrophobicContact CG1-CB 4.08Å; I209-L217 WeakPolarHBondContact CG1-O 3.22Å; I209-L217 PolarHBondContact N-O 3.29Å; I209-L217 PolarHBondContact O-N 2.9Å; I209-L217 VanDerWaalsContact O-O 3.07Å; I209-L219 HydrophobicContact CD1-CB 3.95Å; I209-L219 HydrophobicContact CG1-CB 4.05Å; I209-L219 HydrophobicContact CG2-CB 3.82Å; I209-L219 HydrophobicContact CG2-CD2 4.39Å; I209-I228 HydrophobicContact CD1-CD1 4.18Å; I209-F270 HydrophobicContact CB-CB 4.48Å; I209-F270 HydrophobicContact CB-CD2 3.83Å; I209-F270 HydrophobicContact CB-CE2 4.47Å; I209-F270 HydrophobicContact CB-CG 4.41Å; I209-F270 HydrophobicContact CD1-CB 3.98Å; I209-F270 HydrophobicContact CD1-CD2 4.25Å; I209-F270 HydrophobicContact CD1-CG 4.06Å; I209-F270 HydrophobicContact CG2-CD2 3.46Å; I209-F270 VanDerWaalsContact CG2-CD2 3.46Å; I209-F270 HydrophobicContact CG2-CE2 3.6Å; I209-F270 HydrophobicContact CG2-CG 4.36Å; I209-Y271 CarbonylContact C-O 3.5Å; I209-Y271 WeakPolarHBondContact CA-O 3.39Å; I209-F577 HydrophobicContact CD1-CE2 4.02Å; I209-F577 HydrophobicContact CD1-CZ 4.09Å |
| 210 | K | 90.8 | Very high | 88.3 | Confident | 82 Ų | 82 | 40.8 Ų | 40.8 | 36% | 0.357 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 142.8 | 169.3 | -57.8 | -169.6 | 175.9 | -142.6 | 0 | 111.1 | T215 Q216 F270 Y271 | K210-T215 VanDerWaalsContact CA-O 3.22Å; K210-T215 WeakPolarHBondContact CA-O 3.4Å; K210-Q216 VanDerWaalsContact NZ-OE1 3.12Å; K210-F270 CarbonylContact O-C 3.56Å; K210-F270 WeakPolarHBondContact O-CA 3.35Å; K210-Y271 PolarHBondContact N-O 2.8Å; K210-Y271 PolarHBondContact O-N 3.3Å |
| 211 | N | 89 | Confident | 88.7 | Confident | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.011 | 19% | 0.192 | C | C | . | . | trans | -76.1 | -175.6 | 168.1 | 74.3 | 0.5 | 0 | 0 | 0 | 110.6 | K213 G214 T215 L217 F577 M580 | N211-K213 VanDerWaalsContact C-N 3.28Å; N211-K213 PolarHBondContact O-N 2.88Å; N211-K213 WeakPolarHBondContact OD1-CB 3.42Å; N211-K213 PolarHBondContact OD1-N 2.69Å; N211-K213 VanDerWaalsContact OD1-N 3.14Å; N211-G214 PolarHBondContact O-N 2.75Å; N211-G214 VanDerWaalsContact O-N 3.17Å; N211-G214 PolarHBondContact OD1-N 2.88Å; N211-T215 PolarHBondContact N-O 2.65Å; N211-T215 PolarHBondContact OD1-N 3.46Å; N211-T215 VanDerWaalsContact OD1-N 3.11Å; N211-L217 HydrophobicContact CB-CD1 4.33Å; N211-F577 HydrophobicContact CB-CD1 4.19Å; N211-F577 HydrophobicContact CB-CE1 3.51Å; N211-F577 HydrophobicContact CB-CE2 4.36Å; N211-F577 HydrophobicContact CB-CZ 3.61Å; N211-F577 PolarHBondContact ND2-O 2.69Å; N211-F577 VanDerWaalsContact ND2-O 3.17Å; N211-M580 VanDerWaalsContact ND2-C 3.33Å; N211-M580 PolarHBondContact ND2-OXT 3.25Å | ||
| 212 | K | 85.4 | Confident | 88.9 | Confident | 158 Ų | 158 | 39.1 Ų | 39.1 | 69% | 0.687 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -23 | -177.5 | -174.3 | -177.6 | 172.5 | -168.2 | 0 | 114.1 | Y271 E578 | K212-Y271 HydrophobicContact CB-CE2 4.48Å; K212-E578 WeakPolarHBondContact CB-OE1 3.5Å; K212-E578 WeakPolarHBondContact CB-OE2 3.27Å; K212-E578 WeakPolarHBondContact CD-OE1 3.26Å; K212-E578 PolarHBondContact N-OE2 3.38Å |
| 213 | K | 84.2 | Confident | 89 | Confident | 131 Ų | 131 | 38.9 Ų | 38.9 | 57% | 0.57 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -22.7 | 172.6 | -71.7 | 155.3 | 159.1 | 171.4 | 0 | 113.2 | N211 E578 S579 M580 | N211-K213 VanDerWaalsContact C-N 3.28Å; N211-K213 PolarHBondContact O-N 2.88Å; N211-K213 WeakPolarHBondContact OD1-CB 3.42Å; N211-K213 PolarHBondContact OD1-N 2.69Å; N211-K213 VanDerWaalsContact OD1-N 3.14Å; K213-E578 WeakPolarHBondContact CD-O 3.3Å; K213-E578 WeakPolarHBondContact CE-O 3.42Å; K213-E578 PolarHBondContact NZ-O 2.7Å; K213-S579 VanDerWaalsContact NZ-CA 3.34Å; K213-S579 PolarHBondContact NZ-O 3.2Å; K213-M580 WeakPolarHBondContact CD-OXT 3.41Å; K213-M580 PolarHBondContact NZ-OXT 3.19Å |
| 214 | G | 83.4 | Confident | 89.1 | Confident | 34 Ų | 34 | 39.2 Ų | 39.2 | 35% | 0.351 | 19% | 0.192 | S | C | . | . | trans | 100.1 | 4.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | N211 Q216 | N211-G214 PolarHBondContact O-N 2.75Å; N211-G214 VanDerWaalsContact O-N 3.17Å; N211-G214 PolarHBondContact OD1-N 2.88Å; G214-Q216 PolarHBondContact O-N 2.92Å | ||
| 215 | T | 88.8 | Confident | 89.2 | Confident | 51 Ų | 51 | 38.5 Ų | 38.5 | 31% | 0.313 | 19% | 0.187 | S | C | . | . | trans | -54.4 | 136.3 | 171.3 | -54.2 | 0 | 0 | 0 | 0 | 109.8 | K210 N211 L217 M580 | K210-T215 VanDerWaalsContact CA-O 3.22Å; K210-T215 WeakPolarHBondContact CA-O 3.4Å; N211-T215 PolarHBondContact N-O 2.65Å; N211-T215 PolarHBondContact OD1-N 3.46Å; N211-T215 VanDerWaalsContact OD1-N 3.11Å; T215-L217 HydrophobicContact CG2-CD2 4.1Å; T215-L217 HydrophobicContact CG2-CG 4.2Å; T215-M580 VanDerWaalsContact CB-O 3.25Å; T215-M580 WeakPolarHBondContact CB-O 3.34Å; T215-M580 WeakPolarHBondContact CG2-O 3.33Å; T215-M580 PolarHBondContact OG1-O 2.96Å | ||
| 216 | Q | 89.9 | Confident | 89.3 | Confident | 105 Ų | 105 | 37 Ų | 37 | 49% | 0.491 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 122.3 | -179.1 | -48.6 | -157.7 | 80.7 | 0 | 0 | 109.1 | K210 G214 | K210-Q216 VanDerWaalsContact NZ-OE1 3.12Å; G214-Q216 PolarHBondContact O-N 2.92Å |
| 217 | L | 92.3 | Very high | 89.4 | Confident | 3 Ų | 3 | 35.4 Ų | 35.4 | 2% | 0.016 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 158.6 | -175 | -62.6 | 172.1 | 0 | 0 | 0 | 109.4 | I209 N211 T215 I228 F577 M580 | I209-L217 HydrophobicContact CD1-CB 4.37Å; I209-L217 HydrophobicContact CG1-CB 4.08Å; I209-L217 WeakPolarHBondContact CG1-O 3.22Å; I209-L217 PolarHBondContact N-O 3.29Å; I209-L217 PolarHBondContact O-N 2.9Å; I209-L217 VanDerWaalsContact O-O 3.07Å; N211-L217 HydrophobicContact CB-CD1 4.33Å; T215-L217 HydrophobicContact CG2-CD2 4.1Å; T215-L217 HydrophobicContact CG2-CG 4.2Å; L217-I228 HydrophobicContact CB-CG2 4.21Å; L217-I228 HydrophobicContact CD1-CG2 4.11Å; L217-F577 HydrophobicContact CD1-CD2 4.03Å; L217-F577 HydrophobicContact CD1-CE2 3.53Å; L217-F577 HydrophobicContact CD1-CZ 4.2Å; L217-M580 HydrophobicContact CD1-CB 4.46Å; L217-M580 HydrophobicContact CD1-SD 4.34Å; L217-M580 HydrophobicContact CD2-CE 4.38Å; L217-M580 HydrophobicContact CD2-SD 4.3Å |
| 218 | W | 92.6 | Very high | 89.5 | Confident | 30 Ų | 30 | 35 Ų | 35 | 11% | 0.114 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 131.7 | 169.7 | -61.9 | 94.9 | 0 | 0 | 0 | 110.3 | Y206 F207 E208 I228 Y229 H231 K234 | Y206-W218 HydrophobicContact CD1-CB 4.35Å; F207-W218 WeakPolarHBondContact O-CA 3.36Å; E208-W218 HydrophobicContact CG-CE3 4.13Å; E208-W218 HydrophobicContact CG-CH2 3.54Å; E208-W218 HydrophobicContact CG-CZ2 4.24Å; E208-W218 HydrophobicContact CG-CZ3 3.51Å; W218-I228 WeakPolarHBondContact O-CA 3.2Å; W218-Y229 HydrophobicContact CB-CD2 4.5Å; W218-Y229 PolarHBondContact N-O 3.39Å; W218-Y229 PolarHBondContact O-N 3.11Å; W218-H231 AromaticContact CE2-ND1 3.95Å; W218-H231 AromaticContact CZ2-CE1 3.95Å; W218-H231 AromaticContact NE1-ND1 3.48Å; W218-H231 PolarHBondContact NE1-ND1 3.02Å; W218-H231 PolarHBondContact NE1-O 3.09Å; W218-H231 VanDerWaalsContact NE1-O 3.07Å; W218-K234 VanDerWaalsContact CZ2-CE 3.41Å; W218-K234 VanDerWaalsContact CZ2-NZ 3.33Å |
| 219 | L | 92.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 117.3 | 164.7 | 176 | 70.4 | 0 | 0 | 0 | 108.4 | Y206 F207 I209 V221 L226 I228 F270 I281 | Y206-L219 CarbonylContact C-O 3.45Å; Y206-L219 WeakPolarHBondContact CA-O 3.5Å; F207-L219 HydrophobicContact CB-CB 4.38Å; F207-L219 PolarHBondContact N-O 2.75Å; F207-L219 PolarHBondContact O-N 3.12Å; I209-L219 HydrophobicContact CD1-CB 3.95Å; I209-L219 HydrophobicContact CG1-CB 4.05Å; I209-L219 HydrophobicContact CG2-CB 3.82Å; I209-L219 HydrophobicContact CG2-CD2 4.39Å; L219-V221 HydrophobicContact CD2-CG2 4.11Å; L219-V221 HydrophobicContact CG-CG2 4.13Å; L219-L226 HydrophobicContact CD1-CB 4.32Å; L219-L226 HydrophobicContact CD1-CD2 4.29Å; L219-I228 HydrophobicContact CD1-CD1 3.56Å; L219-F270 HydrophobicContact CD2-CE1 4.06Å; L219-F270 HydrophobicContact CD2-CE2 3.96Å; L219-F270 HydrophobicContact CD2-CZ 3.47Å; L219-F270 VanDerWaalsContact CD2-CZ 3.47Å; L219-I281 HydrophobicContact CD2-CD1 4.24Å; L219-I281 HydrophobicContact CD2-CG2 3.97Å |
| 220 | G | 92.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 128.8 | 163.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | N227 | G220-N227 PolarHBondContact N-O 2.86Å; G220-N227 PolarHBondContact O-N 2.87Å |
| 221 | V | 91 | Very high | 89.2 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 117.8 | 170.1 | -173.5 | 0 | 0 | 0 | 0 | 108.2 | N205 F207 L219 L226 W243 I281 L284 | N205-V221 HydrophobicContact CB-CB 4.31Å; N205-V221 WeakPolarHBondContact CB-O 3.46Å; N205-V221 PolarHBondContact N-O 2.93Å; N205-V221 PolarHBondContact O-N 3.3Å; F207-V221 HydrophobicContact CD2-CG2 4.07Å; F207-V221 HydrophobicContact CE2-CG2 3.99Å; L219-V221 HydrophobicContact CD2-CG2 4.11Å; L219-V221 HydrophobicContact CG-CG2 4.13Å; V221-L226 HydrophobicContact CB-CD2 4.14Å; V221-L226 HydrophobicContact CG1-CD2 3.94Å; V221-L226 HydrophobicContact CG2-CD2 3.77Å; V221-W243 HydrophobicContact CG1-CH2 4.17Å; V221-W243 HydrophobicContact CG1-CZ2 3.99Å; V221-I281 HydrophobicContact CG2-CG2 4.4Å; V221-L284 HydrophobicContact CG1-CB 4.06Å |
| 222 | D | 88.9 | Confident | 88.9 | Confident | 6 Ų | 6 | 41.3 Ų | 41.3 | 3% | 0.032 | 20% | 0.202 | C | C | . | . | trans | -130.4 | -173.3 | -178.5 | 70.6 | 28.3 | 0 | 0 | 0 | 112 | V204 L224 G225 N227 W243 N288 | V204-D222 HydrophobicContact CG2-CB 4.39Å; D222-L224 VanDerWaalsContact C-N 3.31Å; D222-L224 WeakPolarHBondContact OD1-CA 3.23Å; D222-L224 WeakPolarHBondContact OD1-CB 3.22Å; D222-L224 PolarHBondContact OD1-N 3.41Å; D222-G225 PolarHBondContact N-O 2.82Å; D222-G225 PolarHBondContact OD1-N 3.02Å; D222-N227 PolarHBondContact OD2-ND2 3.39Å; D222-W243 PolarHBondContact O-NE1 2.85Å; D222-W243 VanDerWaalsContact O-NE1 3.08Å; D222-N288 WeakPolarHBondContact O-CB 3.13Å; D222-N288 VanDerWaalsContact O-CG 3.25Å; D222-N288 PolarHBondContact O-ND2 2.91Å | ||
| 223 | A | 86.9 | Confident | 88.9 | Confident | 7 Ų | 7 | 34.2 Ų | 34.2 | 6% | 0.058 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -74.9 | -16.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114 | E87 | E87-A223 HydrophobicContact CG-CB 3.96Š|
| 224 | L | 86 | Confident | 88.9 | Confident | 13 Ų | 13 | 31.2 Ų | 31.2 | 7% | 0.068 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -100.3 | -26 | -174.4 | -56.9 | 167.8 | 0 | 0 | 0 | 112.2 | E87 D222 W243 E508 Y559 L562 R566 | E87-L224 HydrophobicContact CB-CD2 4.29Å; E87-L224 HydrophobicContact CG-CD2 3.82Å; D222-L224 VanDerWaalsContact C-N 3.31Å; D222-L224 WeakPolarHBondContact OD1-CA 3.23Å; D222-L224 WeakPolarHBondContact OD1-CB 3.22Å; D222-L224 PolarHBondContact OD1-N 3.41Å; L224-W243 PolarHBondContact O-N 3.22Å; L224-E508 HydrophobicContact CD2-CG 4.08Å; L224-Y559 HydrophobicContact CD1-CE1 4.46Å; L224-L562 HydrophobicContact CD1-CD1 3.73Å; L224-R566 PolarHBondContact O-NH2 3.25Å |
| 225 | G | 88.8 | Confident | 88.9 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 168 | -143.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | D222 F241 W243 | D222-G225 PolarHBondContact N-O 2.82Å; D222-G225 PolarHBondContact OD1-N 3.02Å; G225-F241 CarbonylContact C-O 3.59Å; G225-F241 VanDerWaalsContact CA-O 3.3Å; G225-F241 WeakPolarHBondContact CA-O 3.32Å; G225-W243 VanDerWaalsContact N-NE1 3.18Å; G225-W243 VanDerWaalsContact O-CZ2 3.31Å; G225-W243 WeakPolarHBondContact O-CZ2 3.32Å |
| 226 | L | 91.8 | Very high | 88.7 | Confident | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 127.5 | 174.5 | -63.9 | 178.8 | 0 | 0 | 0 | 109.4 | L219 V221 G240 F241 W243 I246 I258 | L219-L226 HydrophobicContact CD1-CB 4.32Å; L219-L226 HydrophobicContact CD1-CD2 4.29Å; V221-L226 HydrophobicContact CB-CD2 4.14Å; V221-L226 HydrophobicContact CG1-CD2 3.94Å; V221-L226 HydrophobicContact CG2-CD2 3.77Å; L226-G240 WeakPolarHBondContact O-CA 3.48Å; L226-F241 HydrophobicContact CB-CB 4.49Å; L226-F241 PolarHBondContact N-O 3.11Å; L226-F241 PolarHBondContact O-N 3.06Å; L226-W243 HydrophobicContact CD1-CH2 4.29Å; L226-W243 HydrophobicContact CD1-CZ3 4.26Å; L226-W243 HydrophobicContact CD2-CH2 3.49Å; L226-W243 VanDerWaalsContact CD2-CH2 3.49Å; L226-W243 HydrophobicContact CD2-CZ2 4.03Å; L226-W243 HydrophobicContact CD2-CZ3 4.27Å; L226-W243 HydrophobicContact CG-CH2 3.71Å; L226-W243 HydrophobicContact CG-CZ2 4.31Å; L226-W243 HydrophobicContact CG-CZ3 4.02Å; L226-I246 HydrophobicContact CD1-CD1 3.71Å; L226-I246 HydrophobicContact CG-CD1 4.05Å; L226-I258 HydrophobicContact CD1-CD1 3.25Å |
| 227 | N | 92.2 | Very high | 88.7 | Confident | 3 Ų | 3 | 23.3 Ų | 23.3 | 2% | 0.016 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 140.1 | -179.2 | -50.1 | -35.3 | 0 | 0 | 0 | 109.7 | G220 D222 Y229 P237 I239 | G220-N227 PolarHBondContact N-O 2.86Å; G220-N227 PolarHBondContact O-N 2.87Å; D222-N227 PolarHBondContact OD2-ND2 3.39Å; N227-Y229 HydrophobicContact CB-CE2 3.67Å; N227-P237 HydrophobicContact CB-CB 3.82Å; N227-P237 HydrophobicContact CB-CG 4.47Å; N227-I239 CarbonylContact C-O 3.59Å; N227-I239 WeakPolarHBondContact CA-O 3.14Å |
| 228 | I | 92.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 135.4 | 176.2 | -48.2 | -60.5 | 0 | 0 | 0 | 109.8 | I209 L217 W218 L219 P237 K238 I239 F268 F577 | I209-I228 HydrophobicContact CD1-CD1 4.18Å; L217-I228 HydrophobicContact CB-CG2 4.21Å; L217-I228 HydrophobicContact CD1-CG2 4.11Å; W218-I228 WeakPolarHBondContact O-CA 3.2Å; L219-I228 HydrophobicContact CD1-CD1 3.56Å; I228-P237 CarbonylContact O-C 3.52Å; I228-P237 WeakPolarHBondContact O-CA 3.44Å; I228-K238 PolarHBondContact O-N 2.76Å; I228-I239 HydrophobicContact CB-CB 4.26Å; I228-I239 HydrophobicContact CG1-CB 4.38Å; I228-I239 PolarHBondContact N-O 2.65Å; I228-F268 HydrophobicContact CD1-CE1 4.49Å; I228-F268 HydrophobicContact CD1-CZ 3.79Å; I228-F268 HydrophobicContact CG1-CZ 4.24Å; I228-F577 HydrophobicContact CB-CD2 4.44Å; I228-F577 HydrophobicContact CD1-CD2 4.44Å; I228-F577 HydrophobicContact CD1-CE2 4.18Å; I228-F577 HydrophobicContact CG1-CD2 3.99Å; I228-F577 HydrophobicContact CG1-CE2 4.21Å; I228-F577 HydrophobicContact CG2-CD2 3.89Å; I228-F577 HydrophobicContact CG2-CE2 3.87Å |
| 229 | Y | 91.4 | Very high | 88.3 | Confident | 2 Ų | 2 | 25.4 Ų | 25.4 | 1% | 0.008 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 152.2 | 179.4 | -44.7 | -119 | 0 | 0 | 0 | 110.4 | V204 Y206 W218 N227 D233 K234 P237 | V204-Y229 HydrophobicContact CG1-CE2 4.33Å; Y206-Y229 HydrophobicContact CE1-CD1 4.37Å; Y206-Y229 HydrophobicContact CE1-CD2 4.3Å; Y206-Y229 HydrophobicContact CE1-CE1 4.1Å; Y206-Y229 HydrophobicContact CE1-CE2 4.06Å; Y206-Y229 HydrophobicContact CE1-CG 4.49Å; Y206-Y229 AromaticContact CE1-CZ 3.97Å; W218-Y229 HydrophobicContact CB-CD2 4.5Å; W218-Y229 PolarHBondContact N-O 3.39Å; W218-Y229 PolarHBondContact O-N 3.11Å; N227-Y229 HydrophobicContact CB-CE2 3.67Å; Y229-D233 VanDerWaalsContact CB-O 3.29Å; Y229-D233 WeakPolarHBondContact CB-O 3.28Å; Y229-K234 WeakPolarHBondContact CD1-O 3.45Å; Y229-K234 WeakPolarHBondContact CE1-O 3.45Å; Y229-P237 HydrophobicContact CD1-CB 3.88Å; Y229-P237 HydrophobicContact CD2-CB 4.38Å; Y229-P237 HydrophobicContact CE1-CB 3.67Å; Y229-P237 HydrophobicContact CE1-CG 3.94Å; Y229-P237 HydrophobicContact CE2-CB 4.15Å; Y229-P237 HydrophobicContact CG-CB 4.22Å |
| 230 | E | 89 | Confident | 88.2 | Confident | 77 Ų | 77 | 25.4 Ų | 25.4 | 36% | 0.36 | 12% | 0.12 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 159.7 | 171.4 | -75.5 | 162.1 | -176.4 | 0 | 0 | 110.8 | E232 D233 K238 M580 | E230-E232 PolarHBondContact O-N 3.33Å; E230-E232 VanDerWaalsContact O-N 3.17Å; E230-D233 PolarHBondContact O-N 2.82Å; E230-D233 VanDerWaalsContact O-O 3.09Å; E230-K238 HydrophobicContact CG-CG 4.25Å; E230-K238 WeakPolarHBondContact OE1-CE 3.43Å; E230-K238 IonicContact OE1-NZ 2.91Å; E230-K238 WeakPolarHBondContact OE2-CE 3.32Å; E230-K238 IonicContact OE2-NZ 2.63Å; E230-K238 PolarHBondContact OE2-NZ 3.19Å; E230-M580 HydrophobicContact CG-CE 3.65Å |
| 231 | H | 84 | Confident | 88.1 | Confident | 95 Ų | 95 | 25.8 Ų | 25.8 | 44% | 0.44 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -31.2 | -175.2 | -164.3 | 63.7 | 0 | 0 | 0 | 113.7 | W218 | W218-H231 AromaticContact CE2-ND1 3.95Å; W218-H231 AromaticContact CZ2-CE1 3.95Å; W218-H231 AromaticContact NE1-ND1 3.48Å; W218-H231 PolarHBondContact NE1-ND1 3.02Å; W218-H231 PolarHBondContact NE1-O 3.09Å; W218-H231 VanDerWaalsContact NE1-O 3.07Å |
| 232 | E | 82.8 | Confident | 88 | Confident | 151 Ų | 151 | 26.3 Ų | 26.3 | 71% | 0.706 | 13% | 0.125 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | -13 | -171.6 | -61.7 | 177.8 | -166.8 | 0 | 0 | 114.4 | E230 Q543 | E230-E232 PolarHBondContact O-N 3.33Å; E230-E232 VanDerWaalsContact O-N 3.17Å; E232-Q543 PolarHBondContact O-NE2 2.88Å |
| 233 | D | 85.3 | Confident | 88 | Confident | 9 Ų | 9 | 26 Ų | 26 | 5% | 0.048 | 12% | 0.124 | C | C | . | . | trans | -129.4 | 116.1 | -178.9 | -179.9 | -1.5 | 0 | 0 | 0 | 109.4 | Y229 E230 L235 T236 K238 L547 | Y229-D233 VanDerWaalsContact CB-O 3.29Å; Y229-D233 WeakPolarHBondContact CB-O 3.28Å; E230-D233 PolarHBondContact O-N 2.82Å; E230-D233 VanDerWaalsContact O-O 3.09Å; D233-L235 PolarHBondContact OD1-N 2.97Å; D233-T236 PolarHBondContact OD1-N 3.41Å; D233-T236 PolarHBondContact OD1-OG1 3.49Å; D233-T236 WeakPolarHBondContact OD2-CB 3.31Å; D233-T236 PolarHBondContact OD2-OG1 3.34Å; D233-K238 IonicContact OD2-NZ 3.32Å; D233-L547 HydrophobicContact CB-CD1 4.03Å; D233-L547 HydrophobicContact CB-CD2 4.34Å | ||
| 234 | K | 84.7 | Confident | 87.9 | Confident | 69 Ų | 69 | 27.4 Ų | 27.4 | 30% | 0.3 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -104 | -4 | 176.5 | -69.5 | 178.8 | 178.3 | 176.5 | 0 | 113.3 | Y206 W218 Y229 | Y206-K234 HydrophobicContact CD1-CG 4.44Å; Y206-K234 HydrophobicContact CE1-CB 3.9Å; Y206-K234 HydrophobicContact CE1-CG 4.24Å; Y206-K234 PolarHBondContact OH-O 2.97Å; W218-K234 VanDerWaalsContact CZ2-CE 3.41Å; W218-K234 VanDerWaalsContact CZ2-NZ 3.33Å; Y229-K234 WeakPolarHBondContact CD1-O 3.45Å; Y229-K234 WeakPolarHBondContact CE1-O 3.45Å |
| 235 | L | 82.9 | Confident | 87.9 | Confident | 3 Ų | 3 | 28.9 Ų | 28.9 | 2% | 0.016 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -91.9 | -45.2 | -179.4 | -55.9 | -176.3 | 0 | 0 | 0 | 110.6 | Y117 E200 M201 D233 P237 N544 L547 H548 | Y117-L235 HydrophobicContact CD1-CD1 4.04Å; Y117-L235 HydrophobicContact CD1-CD2 3.9Å; Y117-L235 HydrophobicContact CE1-CD1 4.23Å; Y117-L235 HydrophobicContact CG-CD2 4.13Å; E200-L235 HydrophobicContact CB-CB 4.34Å; E200-L235 HydrophobicContact CB-CD2 4.42Å; M201-L235 HydrophobicContact CG-CD2 3.64Å; M201-L235 HydrophobicContact SD-CD2 3.85Å; D233-L235 PolarHBondContact OD1-N 2.97Å; L235-P237 WeakPolarHBondContact O-CD 3.47Å; L235-N544 HydrophobicContact CD1-CB 4.2Å; L235-N544 WeakPolarHBondContact CD1-O 3.38Å; L235-L547 HydrophobicContact CD1-CB 4.03Å; L235-H548 HydrophobicContact CD1-CB 3.96Å |
| 236 | T | 85.6 | Confident | 87.8 | Confident | 9 Ų | 9 | 29.2 Ų | 29.2 | 6% | 0.055 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -99.3 | 98.3 | -176.7 | -24.6 | 0 | 0 | 0 | 0 | 111 | D233 N551 T561 | D233-T236 PolarHBondContact OD1-N 3.41Å; D233-T236 PolarHBondContact OD1-OG1 3.49Å; D233-T236 WeakPolarHBondContact OD2-CB 3.31Å; D233-T236 PolarHBondContact OD2-OG1 3.34Å; T236-N551 PolarHBondContact OG1-ND2 3.04Å; T236-T561 HydrophobicContact CG2-CG2 3.98Å |
| 237 | P | 89.4 | Confident | 87.4 | Confident | 11 Ų | 11 | 35.3 Ų | 35.3 | 7% | 0.071 | 16% | 0.164 | C | C | . | . | trans | -63.7 | 149 | 166.6 | 26.9 | -31.1 | 0 | 0 | 0 | 109.9 | N227 I228 Y229 L235 T561 I565 | N227-P237 HydrophobicContact CB-CB 3.82Å; N227-P237 HydrophobicContact CB-CG 4.47Å; I228-P237 CarbonylContact O-C 3.52Å; I228-P237 WeakPolarHBondContact O-CA 3.44Å; Y229-P237 HydrophobicContact CD1-CB 3.88Å; Y229-P237 HydrophobicContact CD2-CB 4.38Å; Y229-P237 HydrophobicContact CE1-CB 3.67Å; Y229-P237 HydrophobicContact CE1-CG 3.94Å; Y229-P237 HydrophobicContact CE2-CB 4.15Å; Y229-P237 HydrophobicContact CG-CB 4.22Å; L235-P237 WeakPolarHBondContact O-CD 3.47Å; P237-T561 HydrophobicContact CG-CG2 4.25Å; P237-I565 HydrophobicContact CB-CD1 3.61Å; P237-I565 HydrophobicContact CG-CD1 3.64Å; P237-I565 WeakPolarHBondContact O-CG2 3.38Å | ||
| 238 | K | 87.7 | Confident | 87 | Confident | 72 Ų | 72 | 39.7 Ų | 39.7 | 31% | 0.313 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -103.7 | -29.7 | 179.2 | -51.2 | -54.1 | -158.8 | -157.1 | 0 | 113.4 | I228 E230 D233 I565 M580 | I228-K238 PolarHBondContact O-N 2.76Å; E230-K238 HydrophobicContact CG-CG 4.25Å; E230-K238 WeakPolarHBondContact OE1-CE 3.43Å; E230-K238 IonicContact OE1-NZ 2.91Å; E230-K238 WeakPolarHBondContact OE2-CE 3.32Å; E230-K238 IonicContact OE2-NZ 2.63Å; E230-K238 PolarHBondContact OE2-NZ 3.19Å; D233-K238 IonicContact OD2-NZ 3.32Å; K238-I565 VanDerWaalsContact C-CG2 3.48Å; K238-I565 WeakPolarHBondContact O-CB 3.43Å; K238-I565 WeakPolarHBondContact O-CG2 3.4Å; K238-M580 HydrophobicContact CB-CE 4.13Å; K238-M580 HydrophobicContact CG-CE 3.94Å |
| 239 | I | 89.7 | Confident | 86.9 | Confident | 6 Ų | 6 | 40.7 Ų | 40.7 | 3% | 0.031 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 133.7 | -175.2 | -54.6 | 176 | 0 | 0 | 0 | 108.5 | N227 I228 F241 R573 E576 F577 M580 | N227-I239 CarbonylContact C-O 3.59Å; N227-I239 WeakPolarHBondContact CA-O 3.14Å; I228-I239 HydrophobicContact CB-CB 4.26Å; I228-I239 HydrophobicContact CG1-CB 4.38Å; I228-I239 PolarHBondContact N-O 2.65Å; I239-F241 HydrophobicContact CG2-CE2 3.77Å; I239-F241 HydrophobicContact CG2-CZ 3.84Å; I239-R573 HydrophobicContact CG2-CB 3.82Å; I239-R573 HydrophobicContact CG2-CG 4.18Å; I239-E576 HydrophobicContact CD1-CB 4Å; I239-F577 VanDerWaalsContact CD1-CA 3.49Å; I239-F577 HydrophobicContact CD1-CB 3.74Å; I239-M580 HydrophobicContact CD1-SD 3.99Å |
| 240 | G | 90 | Very high | 86.6 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 142.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | L226 I565 R573 | L226-G240 WeakPolarHBondContact O-CA 3.48Å; G240-I565 PolarHBondContact N-O 3.18Å; G240-R573 WeakPolarHBondContact O-CD 3.45Å; G240-R573 PolarHBondContact O-NH1 3.2Å |
| 241 | F | 88.8 | Confident | 86.5 | Confident | 7 Ų | 7 | 41.7 Ų | 41.7 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 109.8 | 172.6 | -58.3 | -78.3 | 0 | 0 | 0 | 109.1 | G225 L226 I239 I246 F268 T570 R573 I574 | G225-F241 CarbonylContact C-O 3.59Å; G225-F241 VanDerWaalsContact CA-O 3.3Å; G225-F241 WeakPolarHBondContact CA-O 3.32Å; L226-F241 HydrophobicContact CB-CB 4.49Å; L226-F241 PolarHBondContact N-O 3.11Å; L226-F241 PolarHBondContact O-N 3.06Å; I239-F241 HydrophobicContact CG2-CE2 3.77Å; I239-F241 HydrophobicContact CG2-CZ 3.84Å; F241-I246 HydrophobicContact CB-CD1 4.45Å; F241-F268 AromaticContact CE2-CD2 3.96Å; F241-F268 HydrophobicContact CE2-CD2 3.96Å; F241-F268 HydrophobicContact CE2-CE1 4.49Å; F241-F268 AromaticContact CE2-CE2 3.73Å; F241-F268 HydrophobicContact CE2-CE2 3.73Å; F241-F268 HydrophobicContact CE2-CG 4.42Å; F241-F268 HydrophobicContact CE2-CZ 4.03Å; F241-F268 HydrophobicContact CZ-CD2 4.04Å; F241-F268 HydrophobicContact CZ-CE2 4.16Å; F241-T570 HydrophobicContact CD1-CG2 4.01Å; F241-T570 HydrophobicContact CE1-CG2 3.98Å; F241-R573 HydrophobicContact CE1-CB 3.68Å; F241-R573 HydrophobicContact CZ-CB 3.88Å; F241-I574 HydrophobicContact CE1-CG1 3.88Å; F241-I574 HydrophobicContact CZ-CG1 3.82Å |
| 242 | P | 89.6 | Confident | 86.6 | Confident | 11 Ų | 11 | 43.4 Ų | 43.4 | 7% | 0.071 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 154.9 | 177.1 | 30.1 | -35.1 | 0 | 0 | 0 | 111 | S244 E245 | P242-S244 PolarHBondContact O-N 3.49Å; P242-S244 VanDerWaalsContact O-N 3.13Å; P242-E245 HydrophobicContact CG-CB 4.17Å; P242-E245 HydrophobicContact CG-CG 3.86Å; P242-E245 PolarHBondContact O-N 3.3Å |
| 243 | W | 89 | Confident | 86.6 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -61.2 | -22.9 | 177.6 | -69 | 120.2 | 0 | 0 | 0 | 113.4 | V221 D222 L224 G225 L226 E245 I246 I249 C285 N288 H289 Y292 | V221-W243 HydrophobicContact CG1-CH2 4.17Å; V221-W243 HydrophobicContact CG1-CZ2 3.99Å; D222-W243 PolarHBondContact O-NE1 2.85Å; D222-W243 VanDerWaalsContact O-NE1 3.08Å; L224-W243 PolarHBondContact O-N 3.22Å; G225-W243 VanDerWaalsContact N-NE1 3.18Å; G225-W243 VanDerWaalsContact O-CZ2 3.31Å; G225-W243 WeakPolarHBondContact O-CZ2 3.32Å; L226-W243 HydrophobicContact CD1-CH2 4.29Å; L226-W243 HydrophobicContact CD1-CZ3 4.26Å; L226-W243 HydrophobicContact CD2-CH2 3.49Å; L226-W243 VanDerWaalsContact CD2-CH2 3.49Å; L226-W243 HydrophobicContact CD2-CZ2 4.03Å; L226-W243 HydrophobicContact CD2-CZ3 4.27Å; L226-W243 HydrophobicContact CG-CH2 3.71Å; L226-W243 HydrophobicContact CG-CZ2 4.31Å; L226-W243 HydrophobicContact CG-CZ3 4.02Å; W243-E245 VanDerWaalsContact C-N 3.28Å; W243-E245 PolarHBondContact O-N 2.85Å; W243-I246 HydrophobicContact CE3-CB 4.48Å; W243-I246 HydrophobicContact CE3-CD1 3.59Å; W243-I246 HydrophobicContact CZ3-CD1 3.71Å; W243-I246 PolarHBondContact O-N 2.78Å; W243-I249 HydrophobicContact CZ3-CD1 3.8Å; W243-C285 VanDerWaalsContact CH2-CA 3.49Å; W243-C285 HydrophobicContact CH2-CB 3.54Å; W243-C285 HydrophobicContact CZ3-CB 3.93Å; W243-N288 HydrophobicContact CZ2-CB 3.73Å; W243-H289 HydrophobicContact CD2-CB 4.09Å; W243-H289 HydrophobicContact CE3-CB 3.81Å; W243-H289 AromaticContact CE3-ND1 3.94Å; W243-H289 HydrophobicContact CG-CB 4.5Å; W243-H289 HydrophobicContact CZ3-CB 4.38Å; W243-H289 PolarHBondContact O-CE1 3.35Å; W243-H289 PolarHBondContact O-ND1 2.76Å; W243-Y292 HydrophobicContact CB-CD1 3.5Å; W243-Y292 HydrophobicContact CB-CD2 3.68Å; W243-Y292 HydrophobicContact CB-CE1 3.67Å; W243-Y292 HydrophobicContact CB-CE2 3.79Å; W243-Y292 HydrophobicContact CB-CG 3.5Å; W243-Y292 AromaticContact CD1-CD2 3.51Å; W243-Y292 AromaticContact CD1-CG 3.87Å; W243-Y292 HydrophobicContact CG-CD1 4.47Å; W243-Y292 AromaticContact CG-CD2 3.98Å; W243-Y292 HydrophobicContact CG-CD2 3.98Å; W243-Y292 HydrophobicContact CG-CE2 4.36Å; W243-Y292 HydrophobicContact CG-CG 4.01Å |
| 244 | S | 84.8 | Confident | 86.6 | Confident | 37 Ų | 37 | 45.2 Ų | 45.2 | 26% | 0.259 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -69.1 | -15.4 | 172.4 | 54.8 | 0 | 0 | 0 | 0 | 114.8 | P242 I261 Y292 | P242-S244 PolarHBondContact O-N 3.49Å; P242-S244 VanDerWaalsContact O-N 3.13Å; S244-I261 WeakPolarHBondContact O-CD1 2.84Å; S244-Y292 WeakPolarHBondContact CB-OH 3.23Å; S244-Y292 PolarHBondContact OG-OH 3.05Å |
| 245 | E | 86.2 | Confident | 86.8 | Confident | 44 Ų | 44 | 46 Ų | 46 | 21% | 0.206 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -93.1 | -8.6 | 173.4 | -80.4 | -178.5 | -154.8 | 0 | 0 | 113.3 | P242 W243 P260 I261 T570 R573 | P242-E245 HydrophobicContact CG-CB 4.17Å; P242-E245 HydrophobicContact CG-CG 3.86Å; P242-E245 PolarHBondContact O-N 3.3Å; W243-E245 VanDerWaalsContact C-N 3.28Å; W243-E245 PolarHBondContact O-N 2.85Å; E245-P260 CarbonylContact O-C 3.49Å; E245-P260 VanDerWaalsContact O-CA 3.23Å; E245-P260 WeakPolarHBondContact O-CA 3.35Å; E245-I261 PolarHBondContact O-N 2.9Å; E245-T570 VanDerWaalsContact CD-OG1 3.23Å; E245-T570 WeakPolarHBondContact OE2-CG2 3.5Å; E245-T570 PolarHBondContact OE2-OG1 2.8Å; E245-R573 IonicContact OE1-CZ 2.68Å; E245-R573 IonicContact OE1-NH1 2.76Å; E245-R573 PolarHBondContact OE1-NH1 2.79Å; E245-R573 IonicContact OE1-NH2 3.5Å; E245-R573 PolarHBondContact OE1-NH2 2.71Å; E245-R573 IonicContact OE2-CZ 3.79Å; E245-R573 IonicContact OE2-NH1 3.71Å; E245-R573 PolarHBondContact OE2-NH1 3.31Å; E245-R573 IonicContact OE2-NH2 3.99Å; E245-R573 PolarHBondContact OE2-NH2 3.36Å |
| 246 | I | 86.8 | Confident | 87.1 | Confident | 6 Ų | 6 | 45.9 Ų | 45.9 | 3% | 0.031 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 122.8 | -169 | -65.1 | 168.4 | 0 | 0 | 0 | 110.8 | L226 F241 W243 I249 I258 H289 | L226-I246 HydrophobicContact CD1-CD1 3.71Å; L226-I246 HydrophobicContact CG-CD1 4.05Å; F241-I246 HydrophobicContact CB-CD1 4.45Å; W243-I246 HydrophobicContact CE3-CB 4.48Å; W243-I246 HydrophobicContact CE3-CD1 3.59Å; W243-I246 HydrophobicContact CZ3-CD1 3.71Å; W243-I246 PolarHBondContact O-N 2.78Å; I246-I249 HydrophobicContact CG2-CD1 3.84Å; I246-I249 HydrophobicContact CG2-CG1 3.69Å; I246-I258 HydrophobicContact CD1-CG2 4.47Å; I246-I258 HydrophobicContact CG1-CG2 4.15Å; I246-I258 HydrophobicContact CG2-CG2 3.74Å; I246-H289 PolarHBondContact O-CE1 3.23Å; I246-H289 VanDerWaalsContact O-CE1 3.3Å |
| 247 | R | 84.3 | Confident | 87.3 | Confident | 130 Ų | 130 | 46.3 Ų | 46.3 | 49% | 0.491 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | -43.2 | -178.9 | -178.8 | -173.4 | -74.3 | -81.8 | -0.9 | 113.4 | K259 P260 I261 | R247-K259 WeakPolarHBondContact CA-O 3.41Å; R247-K259 WeakPolarHBondContact CB-O 3.39Å; R247-K259 PolarHBondContact N-O 3.43Å; R247-P260 VanDerWaalsContact CB-O 3.22Å; R247-P260 WeakPolarHBondContact CB-O 3.35Å; R247-P260 PolarHBondContact NE-O 3.41Å; R247-I261 HydrophobicContact CB-CG1 3.87Å; R247-I261 PolarHBondContact NH2-O 2.87Å |
| 248 | N | 83.8 | Confident | 87.3 | Confident | 95 Ų | 95 | 46.1 Ų | 46.1 | 51% | 0.508 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 149.8 | -174.6 | -165.8 | 0.4 | 0 | 0 | 0 | 110.5 | K259 | N248-K259 HydrophobicContact CB-CB 4.3Å; N248-K259 PolarHBondContact N-O 2.94Å; N248-K259 PolarHBondContact O-N 2.95Å |
| 249 | I | 88.6 | Confident | 87.3 | Confident | 20 Ų | 20 | 46.5 Ų | 46.5 | 10% | 0.103 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 124.5 | -171.9 | -47.8 | -174 | 0 | 0 | 0 | 108.5 | W243 I246 F256 I258 L282 C285 | W243-I249 HydrophobicContact CZ3-CD1 3.8Å; I246-I249 HydrophobicContact CG2-CD1 3.84Å; I246-I249 HydrophobicContact CG2-CG1 3.69Å; I249-F256 HydrophobicContact CG2-CD1 4.49Å; I249-F256 HydrophobicContact CG2-CE1 3.36Å; I249-F256 HydrophobicContact CG2-CZ 3.59Å; I249-I258 HydrophobicContact CG1-CG2 4.46Å; I249-I258 HydrophobicContact CG2-CD1 4.41Å; I249-I258 HydrophobicContact CG2-CG1 4.26Å; I249-L282 HydrophobicContact CB-CD1 3.9Å; I249-L282 HydrophobicContact CG2-CD1 3.63Å; I249-L282 WeakPolarHBondContact O-CD1 3.31Å; I249-C285 HydrophobicContact CD1-CB 3.54Å; I249-C285 HydrophobicContact CG2-CB 4.39Å |
| 250 | S | 85.1 | Confident | 87.2 | Confident | 46 Ų | 46 | 46.8 Ų | 46.8 | 32% | 0.322 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 160.7 | -173.7 | 64.4 | 0 | 0 | 0 | 0 | 112 | V257 | S250-V257 PolarHBondContact N-O 3.24Å; S250-V257 PolarHBondContact O-N 3.17Å; S250-V257 VanDerWaalsContact O-O 3.13Å; S250-V257 PolarHBondContact OG-O 2.88Å |
| 251 | F | 86.9 | Confident | 87 | Confident | 55 Ų | 55 | 50.3 Ų | 50.3 | 24% | 0.241 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 151.8 | 169.7 | 71.5 | -96.5 | 0 | 0 | 0 | 111.2 | K255 F256 L275 N278 K279 L282 | F251-K255 CarbonylContact C-O 3.6Å; F251-K255 VanDerWaalsContact CA-O 3.24Å; F251-K255 WeakPolarHBondContact CA-O 3.47Å; F251-K255 WeakPolarHBondContact CB-O 3.32Å; F251-F256 HydrophobicContact CB-CD2 3.55Å; F251-F256 HydrophobicContact CB-CE2 4.02Å; F251-F256 HydrophobicContact CB-CG 4.18Å; F251-F256 HydrophobicContact CD1-CD2 4.47Å; F251-F256 HydrophobicContact CD1-CE2 4.14Å; F251-F256 HydrophobicContact CG-CD2 4.35Å; F251-F256 HydrophobicContact CG-CE2 4.47Å; F251-L275 HydrophobicContact CD2-CD1 4.21Å; F251-L275 HydrophobicContact CE2-CD1 3.62Å; F251-N278 HydrophobicContact CB-CB 4.3Å; F251-N278 HydrophobicContact CD1-CB 4.12Å; F251-N278 HydrophobicContact CD2-CB 3.9Å; F251-N278 HydrophobicContact CE1-CB 4.49Å; F251-N278 HydrophobicContact CE2-CB 4.32Å; F251-N278 HydrophobicContact CG-CB 3.84Å; F251-K279 HydrophobicContact CE1-CG 4.1Å; F251-K279 HydrophobicContact CE2-CG 4.33Å; F251-K279 HydrophobicContact CZ-CD 4.42Å; F251-K279 HydrophobicContact CZ-CG 3.52Å; F251-L282 HydrophobicContact CD1-CB 4.18Å; F251-L282 HydrophobicContact CD1-CD2 3.93Å; F251-L282 HydrophobicContact CE1-CB 4.16Å; F251-L282 HydrophobicContact CE1-CD2 3.65Å |
| 252 | N | 86.3 | Confident | 86.7 | Confident | 131 Ų | 131 | 53.6 Ų | 53.6 | 70% | 0.701 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 116.5 | 171.4 | -171.9 | 10.6 | 0 | 0 | 0 | 109.2 | K254 K255 | N252-K254 PolarHBondContact O-N 2.88Å; N252-K255 PolarHBondContact N-O 3.45Å; N252-K255 PolarHBondContact O-N 3.43Å |
| 253 | D | 83.4 | Confident | 86.3 | Confident | 85 Ų | 85 | 61.8 Ų | 61.8 | 46% | 0.455 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 42.3 | -103.1 | -164.2 | -176.1 | 42.2 | 0 | 0 | 0 | 113.4 | N278 | D253-N278 PolarHBondContact O-ND2 3.06Š|
| 254 | K | 85.6 | Confident | 85.9 | Confident | 113 Ų | 113 | 70.7 Ų | 70.7 | 49% | 0.491 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -28.1 | 179.2 | -68.6 | 162.9 | -167.8 | 174.8 | 0 | 113.6 | N252 Y271 A272 N278 | N252-K254 PolarHBondContact O-N 2.88Å; K254-Y271 WeakPolarHBondContact O-CA 3.42Å; K254-A272 PolarHBondContact O-N 2.96Å; K254-N278 PolarHBondContact O-ND2 3.38Å; K254-N278 VanDerWaalsContact O-ND2 3.1Å |
| 255 | K | 88.3 | Confident | 85.8 | Confident | 85 Ų | 85 | 69.5 Ų | 69.5 | 37% | 0.37 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 123.3 | -176.6 | -171.3 | -171.9 | -175.4 | -170.7 | 0 | 110.1 | F251 N252 V257 V269 Y271 | F251-K255 CarbonylContact C-O 3.6Å; F251-K255 VanDerWaalsContact CA-O 3.24Å; F251-K255 WeakPolarHBondContact CA-O 3.47Å; F251-K255 WeakPolarHBondContact CB-O 3.32Å; N252-K255 PolarHBondContact N-O 3.45Å; N252-K255 PolarHBondContact O-N 3.43Å; K255-V257 HydrophobicContact CD-CG2 4.08Å; K255-V257 HydrophobicContact CG-CG2 4.12Å; K255-V269 HydrophobicContact CD-CG1 4.29Å; K255-V269 HydrophobicContact CG-CG1 4Å; K255-Y271 HydrophobicContact CB-CD1 4.1Å; K255-Y271 HydrophobicContact CB-CE1 3.89Å; K255-Y271 HydrophobicContact CD-CE1 4.44Å; K255-Y271 HydrophobicContact CG-CD1 4.35Å; K255-Y271 HydrophobicContact CG-CE1 3.85Å |
| 256 | F | 89.8 | Confident | 85.9 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 143.5 | 171.1 | -148.2 | -89.2 | 0 | 0 | 0 | 109.1 | I249 F251 I258 V269 F270 N278 I281 L282 | I249-F256 HydrophobicContact CG2-CD1 4.49Å; I249-F256 HydrophobicContact CG2-CE1 3.36Å; I249-F256 HydrophobicContact CG2-CZ 3.59Å; F251-F256 HydrophobicContact CB-CD2 3.55Å; F251-F256 HydrophobicContact CB-CE2 4.02Å; F251-F256 HydrophobicContact CB-CG 4.18Å; F251-F256 HydrophobicContact CD1-CD2 4.47Å; F251-F256 HydrophobicContact CD1-CE2 4.14Å; F251-F256 HydrophobicContact CG-CD2 4.35Å; F251-F256 HydrophobicContact CG-CE2 4.47Å; F256-I258 HydrophobicContact CD1-CD1 4.1Å; F256-I258 HydrophobicContact CD1-CG1 3.77Å; F256-I258 HydrophobicContact CE1-CD1 3.85Å; F256-I258 HydrophobicContact CE1-CG1 3.8Å; F256-V269 WeakPolarHBondContact O-CA 3.5Å; F256-F270 HydrophobicContact CB-CD1 4.12Å; F256-F270 HydrophobicContact CB-CD2 3.72Å; F256-F270 HydrophobicContact CB-CE1 3.83Å; F256-F270 HydrophobicContact CB-CE2 3.38Å; F256-F270 HydrophobicContact CB-CG 4.08Å; F256-F270 HydrophobicContact CB-CZ 3.45Å; F256-F270 VanDerWaalsContact CB-CZ 3.45Å; F256-F270 HydrophobicContact CD1-CD1 4.36Å; F256-F270 AromaticContact CD1-CE1 3.39Å; F256-F270 HydrophobicContact CD1-CE1 3.39Å; F256-F270 HydrophobicContact CD1-CE2 4.02Å; F256-F270 AromaticContact CD1-CZ 3.17Å; F256-F270 HydrophobicContact CD1-CZ 3.17Å; F256-F270 HydrophobicContact CD2-CE2 4.14Å; F256-F270 AromaticContact CD2-CZ 3.98Å; F256-F270 HydrophobicContact CD2-CZ 3.98Å; F256-F270 HydrophobicContact CE1-CE1 4.13Å; F256-F270 AromaticContact CE1-CZ 3.79Å; F256-F270 HydrophobicContact CE1-CZ 3.79Å; F256-F270 HydrophobicContact CG-CD2 4.42Å; F256-F270 AromaticContact CG-CE1 3.84Å; F256-F270 HydrophobicContact CG-CE1 3.84Å; F256-F270 AromaticContact CG-CE2 3.61Å; F256-F270 HydrophobicContact CG-CE2 3.61Å; F256-F270 AromaticContact CG-CZ 3.27Å; F256-F270 HydrophobicContact CG-CZ 3.27Å; F256-F270 HydrophobicContact CZ-CZ 4.45Å; F256-F270 PolarHBondContact N-O 2.99Å; F256-F270 PolarHBondContact O-N 3.4Å; F256-N278 HydrophobicContact CD2-CB 4.29Å; F256-N278 WeakPolarHBondContact CD2-OD1 3.28Å; F256-I281 HydrophobicContact CE1-CG2 4.19Å; F256-I281 HydrophobicContact CE2-CB 4.03Å; F256-I281 HydrophobicContact CE2-CG2 3.73Å; F256-I281 HydrophobicContact CZ-CB 4.27Å; F256-I281 HydrophobicContact CZ-CG2 3.53Å; F256-L282 HydrophobicContact CE2-CB 4.32Å; F256-L282 HydrophobicContact CZ-CB 4.3Å; F256-L282 HydrophobicContact CZ-CD1 4.49Å |
| 257 | V | 89 | Confident | 86 | Confident | 19 Ų | 19 | 72.5 Ų | 72.5 | 12% | 0.115 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 116.4 | -175.7 | -173.5 | 0 | 0 | 0 | 0 | 109.3 | S250 K255 D267 F268 V269 | S250-V257 PolarHBondContact N-O 3.24Å; S250-V257 PolarHBondContact O-N 3.17Å; S250-V257 VanDerWaalsContact O-O 3.13Å; S250-V257 PolarHBondContact OG-O 2.88Å; K255-V257 HydrophobicContact CD-CG2 4.08Å; K255-V257 HydrophobicContact CG-CG2 4.12Å; V257-D267 HydrophobicContact CG1-CB 3.9Å; V257-F268 WeakPolarHBondContact CA-O 3.45Å; V257-V269 HydrophobicContact CG1-CG2 4.3Å; V257-V269 HydrophobicContact CG2-CG2 4.3Å |
| 258 | I | 89.6 | Confident | 86.2 | Confident | 6 Ų | 6 | 66.6 Ų | 66.6 | 3% | 0.031 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 125 | 177.9 | -51.2 | -166.1 | 0 | 0 | 0 | 108.2 | L226 I246 I249 F256 F268 F270 | L226-I258 HydrophobicContact CD1-CD1 3.25Å; I246-I258 HydrophobicContact CD1-CG2 4.47Å; I246-I258 HydrophobicContact CG1-CG2 4.15Å; I246-I258 HydrophobicContact CG2-CG2 3.74Å; I249-I258 HydrophobicContact CG1-CG2 4.46Å; I249-I258 HydrophobicContact CG2-CD1 4.41Å; I249-I258 HydrophobicContact CG2-CG1 4.26Å; F256-I258 HydrophobicContact CD1-CD1 4.1Å; F256-I258 HydrophobicContact CD1-CG1 3.77Å; F256-I258 HydrophobicContact CE1-CD1 3.85Å; F256-I258 HydrophobicContact CE1-CG1 3.8Å; I258-F268 HydrophobicContact CB-CB 4.28Å; I258-F268 HydrophobicContact CB-CD1 4.1Å; I258-F268 HydrophobicContact CD1-CD1 4.03Å; I258-F268 HydrophobicContact CD1-CE1 4.38Å; I258-F268 HydrophobicContact CG1-CD1 4.11Å; I258-F268 PolarHBondContact N-O 3Å; I258-F268 PolarHBondContact O-N 2.68Å; I258-F270 HydrophobicContact CD1-CE1 4.08Å; I258-F270 HydrophobicContact CG1-CE1 4.43Å |
| 259 | K | 87.8 | Confident | 86.6 | Confident | 80 Ų | 80 | 63 Ų | 63 | 35% | 0.348 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 126 | -179.4 | -58.1 | -162.9 | 160.9 | -84.5 | 0 | 109.3 | R247 N248 D267 | R247-K259 WeakPolarHBondContact CA-O 3.41Å; R247-K259 WeakPolarHBondContact CB-O 3.39Å; R247-K259 PolarHBondContact N-O 3.43Å; N248-K259 HydrophobicContact CB-CB 4.3Å; N248-K259 PolarHBondContact N-O 2.94Å; N248-K259 PolarHBondContact O-N 2.95Å; K259-D267 WeakPolarHBondContact CG-OD1 3.41Å; K259-D267 IonicContact NZ-OD1 3.91Å; K259-D267 PolarHBondContact NZ-OD1 3.17Å; K259-D267 IonicContact NZ-OD2 3.79Å; K259-D267 PolarHBondContact NZ-OD2 2.91Å |
| 260 | P | 88.5 | Confident | 86.7 | Confident | 12 Ų | 12 | 62 Ų | 62 | 8% | 0.078 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 165.1 | 176.6 | 27.8 | -32.5 | 0 | 0 | 0 | 113.1 | E245 R247 A265 P266 T570 | E245-P260 CarbonylContact O-C 3.49Å; E245-P260 VanDerWaalsContact O-CA 3.23Å; E245-P260 WeakPolarHBondContact O-CA 3.35Å; R247-P260 VanDerWaalsContact CB-O 3.22Å; R247-P260 WeakPolarHBondContact CB-O 3.35Å; R247-P260 PolarHBondContact NE-O 3.41Å; P260-A265 HydrophobicContact CB-CB 4.26Å; P260-A265 HydrophobicContact CG-CB 3.65Å; P260-P266 WeakPolarHBondContact CD-O 3.41Å; P260-P266 WeakPolarHBondContact CG-O 3.47Å; P260-T570 HydrophobicContact CB-CG2 3.98Å |
| 261 | I | 85.1 | Confident | 87 | Confident | 75 Ų | 75 | 63.8 Ų | 63.8 | 39% | 0.385 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -70.4 | -39.5 | 171.1 | -65.7 | -168.4 | 0 | 0 | 0 | 110.5 | S244 E245 R247 K263 | S244-I261 WeakPolarHBondContact O-CD1 2.84Å; E245-I261 PolarHBondContact O-N 2.9Å; R247-I261 HydrophobicContact CB-CG1 3.87Å; R247-I261 PolarHBondContact NH2-O 2.87Å; I261-K263 PolarHBondContact O-N 3.33Å |
| 262 | D | 82.7 | Confident | 87 | Confident | 76 Ų | 76 | 61.3 Ų | 61.3 | 41% | 0.406 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -64.8 | 120.9 | 169.9 | 179 | 20.4 | 0 | 0 | 0 | 110.8 | K264 A265 | D262-K264 PolarHBondContact O-N 2.88Å; D262-K264 WeakPolarHBondContact OD1-CB 3.49Å; D262-K264 PolarHBondContact OD1-N 3.13Å; D262-A265 HydrophobicContact CB-CB 4.22Å; D262-A265 PolarHBondContact O-N 3.45Å; D262-A265 PolarHBondContact OD2-N 3.43Å |
| 263 | K | 80.9 | Confident | 86.8 | Confident | 183 Ų | 183 | 58.2 Ų | 58.2 | 80% | 0.796 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -11.8 | 177 | -63.1 | -177.9 | -178.6 | 177.3 | 0 | 113.2 | I261 | I261-K263 PolarHBondContact O-N 3.33Š|
| 264 | K | 81.4 | Confident | 86.7 | Confident | 186 Ų | 186 | 60.4 Ų | 60.4 | 81% | 0.809 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -19.4 | 177.8 | -58.8 | 175.9 | 179.1 | 177 | 0 | 112.9 | D262 | D262-K264 PolarHBondContact O-N 2.88Å; D262-K264 WeakPolarHBondContact OD1-CB 3.49Å; D262-K264 PolarHBondContact OD1-N 3.13Å |
| 265 | A | 82.8 | Confident | 86.5 | Confident | 12 Ų | 12 | 58.3 Ų | 58.3 | 10% | 0.099 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -77.3 | 145.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111 | P260 D262 T570 K571 | P260-A265 HydrophobicContact CB-CB 4.26Å; P260-A265 HydrophobicContact CG-CB 3.65Å; D262-A265 HydrophobicContact CB-CB 4.22Å; D262-A265 PolarHBondContact O-N 3.45Å; D262-A265 PolarHBondContact OD2-N 3.43Å; A265-T570 HydrophobicContact CB-CG2 4.41Å; A265-K571 HydrophobicContact CB-CB 4.45Å |
| 266 | P | 88.1 | Confident | 86.1 | Confident | 47 Ų | 47 | 59.6 Ų | 59.6 | 31% | 0.305 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 162.8 | 175.9 | 28.5 | -34.3 | 0 | 0 | 0 | 112.1 | P260 F268 K571 I574 | P260-P266 WeakPolarHBondContact CD-O 3.41Å; P260-P266 WeakPolarHBondContact CG-O 3.47Å; P266-F268 PolarHBondContact O-N 3.33Å; P266-K571 HydrophobicContact CG-CG 4.3Å; P266-I574 HydrophobicContact CG-CB 4.12Å; P266-I574 HydrophobicContact CG-CD1 3.97Å; P266-I574 HydrophobicContact CG-CG2 3.88Å; P266-I574 VanDerWaalsContact O-CD1 3.23Å; P266-I574 WeakPolarHBondContact O-CD1 3.46Å |
| 267 | D | 88.9 | Confident | 85.8 | Confident | 67 Ų | 67 | 61.4 Ų | 61.4 | 36% | 0.358 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 128.8 | 166 | -74.4 | -10.8 | 0 | 0 | 0 | 109.6 | V257 K259 V269 | V257-D267 HydrophobicContact CG1-CB 3.9Å; K259-D267 WeakPolarHBondContact CG-OD1 3.41Å; K259-D267 IonicContact NZ-OD1 3.91Å; K259-D267 PolarHBondContact NZ-OD1 3.17Å; K259-D267 IonicContact NZ-OD2 3.79Å; K259-D267 PolarHBondContact NZ-OD2 2.91Å; D267-V269 HydrophobicContact CB-CG2 4.27Å |
| 268 | F | 88.4 | Confident | 85.6 | Confident | 6 Ų | 6 | 60.5 Ų | 60.5 | 3% | 0.026 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 126.1 | 170 | 175.3 | -109.9 | 0 | 0 | 0 | 109.7 | I228 F241 V257 I258 P266 F270 I574 F577 | I228-F268 HydrophobicContact CD1-CE1 4.49Å; I228-F268 HydrophobicContact CD1-CZ 3.79Å; I228-F268 HydrophobicContact CG1-CZ 4.24Å; F241-F268 AromaticContact CE2-CD2 3.96Å; F241-F268 HydrophobicContact CE2-CD2 3.96Å; F241-F268 HydrophobicContact CE2-CE1 4.49Å; F241-F268 AromaticContact CE2-CE2 3.73Å; F241-F268 HydrophobicContact CE2-CE2 3.73Å; F241-F268 HydrophobicContact CE2-CG 4.42Å; F241-F268 HydrophobicContact CE2-CZ 4.03Å; F241-F268 HydrophobicContact CZ-CD2 4.04Å; F241-F268 HydrophobicContact CZ-CE2 4.16Å; V257-F268 WeakPolarHBondContact CA-O 3.45Å; I258-F268 HydrophobicContact CB-CB 4.28Å; I258-F268 HydrophobicContact CB-CD1 4.1Å; I258-F268 HydrophobicContact CD1-CD1 4.03Å; I258-F268 HydrophobicContact CD1-CE1 4.38Å; I258-F268 HydrophobicContact CG1-CD1 4.11Å; I258-F268 PolarHBondContact N-O 3Å; I258-F268 PolarHBondContact O-N 2.68Å; P266-F268 PolarHBondContact O-N 3.33Å; F268-F270 HydrophobicContact CD1-CD1 4.12Å; F268-F270 HydrophobicContact CD1-CE1 4.38Å; F268-F270 AromaticContact CE1-CD1 3.52Å; F268-F270 HydrophobicContact CE1-CD1 3.52Å; F268-F270 AromaticContact CE1-CE1 3.84Å; F268-F270 HydrophobicContact CE1-CE1 3.84Å; F268-F270 HydrophobicContact CZ-CD1 4.12Å; F268-I574 HydrophobicContact CB-CD1 3.92Å; F268-I574 HydrophobicContact CB-CG1 4.05Å; F268-I574 HydrophobicContact CD2-CG1 4.02Å; F268-I574 HydrophobicContact CD2-CG2 4.45Å; F268-I574 HydrophobicContact CG-CG1 4.49Å; F268-F577 HydrophobicContact CD2-CD1 4.14Å; F268-F577 HydrophobicContact CD2-CG 4.4Å; F268-F577 HydrophobicContact CE2-CB 4.04Å; F268-F577 AromaticContact CE2-CD1 3.49Å; F268-F577 HydrophobicContact CE2-CD1 3.49Å; F268-F577 VanDerWaalsContact CE2-CD1 3.49Å; F268-F577 AromaticContact CE2-CD2 3.8Å; F268-F577 HydrophobicContact CE2-CD2 3.8Å; F268-F577 AromaticContact CE2-CE1 3.81Å; F268-F577 HydrophobicContact CE2-CE1 3.81Å; F268-F577 HydrophobicContact CE2-CE2 4.09Å; F268-F577 AromaticContact CE2-CG 3.49Å; F268-F577 HydrophobicContact CE2-CG 3.49Å; F268-F577 VanDerWaalsContact CE2-CG 3.49Å; F268-F577 HydrophobicContact CE2-CZ 4.1Å; F268-F577 HydrophobicContact CZ-CD1 4.3Å; F268-F577 HydrophobicContact CZ-CD2 4.13Å; F268-F577 HydrophobicContact CZ-CE1 4.24Å; F268-F577 HydrophobicContact CZ-CE2 4.04Å; F268-F577 HydrophobicContact CZ-CG 4.26Å; F268-F577 HydrophobicContact CZ-CZ 4.1Å |
| 269 | V | 90.5 | Very high | 85.4 | Confident | 18 Ų | 18 | 65.6 Ų | 65.6 | 11% | 0.109 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 130.4 | -169.4 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | K255 F256 V257 D267 Y271 F577 | K255-V269 HydrophobicContact CD-CG1 4.29Å; K255-V269 HydrophobicContact CG-CG1 4Å; F256-V269 WeakPolarHBondContact O-CA 3.5Å; V257-V269 HydrophobicContact CG1-CG2 4.3Å; V257-V269 HydrophobicContact CG2-CG2 4.3Å; D267-V269 HydrophobicContact CB-CG2 4.27Å; V269-Y271 HydrophobicContact CG1-CE2 4.08Å; V269-F577 WeakPolarHBondContact O-CE1 2.92Å |
| 270 | F | 91.5 | Very high | 85.2 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 171.6 | 170.7 | 63.7 | -94.8 | 0 | 0 | 0 | 111.3 | I209 K210 L219 F256 I258 F268 I281 F577 | I209-F270 HydrophobicContact CB-CB 4.48Å; I209-F270 HydrophobicContact CB-CD2 3.83Å; I209-F270 HydrophobicContact CB-CE2 4.47Å; I209-F270 HydrophobicContact CB-CG 4.41Å; I209-F270 HydrophobicContact CD1-CB 3.98Å; I209-F270 HydrophobicContact CD1-CD2 4.25Å; I209-F270 HydrophobicContact CD1-CG 4.06Å; I209-F270 HydrophobicContact CG2-CD2 3.46Å; I209-F270 VanDerWaalsContact CG2-CD2 3.46Å; I209-F270 HydrophobicContact CG2-CE2 3.6Å; I209-F270 HydrophobicContact CG2-CG 4.36Å; K210-F270 CarbonylContact O-C 3.56Å; K210-F270 WeakPolarHBondContact O-CA 3.35Å; L219-F270 HydrophobicContact CD2-CE1 4.06Å; L219-F270 HydrophobicContact CD2-CE2 3.96Å; L219-F270 HydrophobicContact CD2-CZ 3.47Å; L219-F270 VanDerWaalsContact CD2-CZ 3.47Å; F256-F270 HydrophobicContact CB-CD1 4.12Å; F256-F270 HydrophobicContact CB-CD2 3.72Å; F256-F270 HydrophobicContact CB-CE1 3.83Å; F256-F270 HydrophobicContact CB-CE2 3.38Å; F256-F270 HydrophobicContact CB-CG 4.08Å; F256-F270 HydrophobicContact CB-CZ 3.45Å; F256-F270 VanDerWaalsContact CB-CZ 3.45Å; F256-F270 HydrophobicContact CD1-CD1 4.36Å; F256-F270 AromaticContact CD1-CE1 3.39Å; F256-F270 HydrophobicContact CD1-CE1 3.39Å; F256-F270 HydrophobicContact CD1-CE2 4.02Å; F256-F270 AromaticContact CD1-CZ 3.17Å; F256-F270 HydrophobicContact CD1-CZ 3.17Å; F256-F270 HydrophobicContact CD2-CE2 4.14Å; F256-F270 AromaticContact CD2-CZ 3.98Å; F256-F270 HydrophobicContact CD2-CZ 3.98Å; F256-F270 HydrophobicContact CE1-CE1 4.13Å; F256-F270 AromaticContact CE1-CZ 3.79Å; F256-F270 HydrophobicContact CE1-CZ 3.79Å; F256-F270 HydrophobicContact CG-CD2 4.42Å; F256-F270 AromaticContact CG-CE1 3.84Å; F256-F270 HydrophobicContact CG-CE1 3.84Å; F256-F270 AromaticContact CG-CE2 3.61Å; F256-F270 HydrophobicContact CG-CE2 3.61Å; F256-F270 AromaticContact CG-CZ 3.27Å; F256-F270 HydrophobicContact CG-CZ 3.27Å; F256-F270 HydrophobicContact CZ-CZ 4.45Å; F256-F270 PolarHBondContact N-O 2.99Å; F256-F270 PolarHBondContact O-N 3.4Å; I258-F270 HydrophobicContact CD1-CE1 4.08Å; I258-F270 HydrophobicContact CG1-CE1 4.43Å; F268-F270 HydrophobicContact CD1-CD1 4.12Å; F268-F270 HydrophobicContact CD1-CE1 4.38Å; F268-F270 AromaticContact CE1-CD1 3.52Å; F268-F270 HydrophobicContact CE1-CD1 3.52Å; F268-F270 AromaticContact CE1-CE1 3.84Å; F268-F270 HydrophobicContact CE1-CE1 3.84Å; F268-F270 HydrophobicContact CZ-CD1 4.12Å; F270-I281 HydrophobicContact CE2-CD1 4.27Å; F270-I281 HydrophobicContact CZ-CG2 4.5Å; F270-F577 HydrophobicContact CB-CE1 4.37Å; F270-F577 HydrophobicContact CB-CZ 3.94Å |
| 271 | Y | 90.9 | Very high | 85.2 | Confident | 84 Ų | 84 | 66 Ų | 66 | 33% | 0.329 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 122.1 | -176.4 | -61.2 | -94.8 | 0 | 0 | 0 | 110.1 | I209 K210 K212 K254 K255 V269 | I209-Y271 CarbonylContact C-O 3.5Å; I209-Y271 WeakPolarHBondContact CA-O 3.39Å; K210-Y271 PolarHBondContact N-O 2.8Å; K210-Y271 PolarHBondContact O-N 3.3Å; K212-Y271 HydrophobicContact CB-CE2 4.48Å; K254-Y271 WeakPolarHBondContact O-CA 3.42Å; K255-Y271 HydrophobicContact CB-CD1 4.1Å; K255-Y271 HydrophobicContact CB-CE1 3.89Å; K255-Y271 HydrophobicContact CD-CE1 4.44Å; K255-Y271 HydrophobicContact CG-CD1 4.35Å; K255-Y271 HydrophobicContact CG-CE1 3.85Å; V269-Y271 HydrophobicContact CG1-CE2 4.08Å |
| 272 | A | 88.5 | Confident | 85.3 | Confident | 3 Ų | 3 | 64.1 Ų | 64.1 | 3% | 0.025 | 30% | 0.296 | C | S | . | . | trans | -100.7 | 146.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | K254 R274 I277 N278 | K254-A272 PolarHBondContact O-N 2.96Å; A272-R274 VanDerWaalsContact C-N 3.28Å; A272-R274 PolarHBondContact O-N 3.08Å; A272-I277 HydrophobicContact CB-CG2 4.31Å; A272-N278 WeakPolarHBondContact CB-OD1 3.38Å | ||
| 273 | P | 82 | Confident | 85.5 | Confident | 66 Ų | 66 | 62.8 Ų | 62.8 | 43% | 0.429 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -70.6 | -18.3 | -173.1 | 26.4 | -34.4 | 0 | 0 | 0 | 114.4 | E208 I277 | E208-P273 WeakPolarHBondContact O-CD 3.28Å; P273-I277 HydrophobicContact CG-CD1 4.41Å |
| 274 | R | 80.9 | Confident | 85.8 | Confident | 131 Ų | 131 | 54.1 Ų | 54.1 | 49% | 0.494 | 26% | 0.258 | S | S | . | . | trans | -138.8 | 130 | -173.2 | -52.6 | -176.4 | -173.7 | -163.6 | 3 | 112.5 | Y55 A272 R276 I277 N278 | Y55-R274 PolarHBondContact OH-NH1 2.92Å; A272-R274 VanDerWaalsContact C-N 3.28Å; A272-R274 PolarHBondContact O-N 3.08Å; R274-R276 PolarHBondContact O-N 3.42Å; R274-R276 VanDerWaalsContact O-N 3.11Å; R274-I277 HydrophobicContact CB-CB 4.43Å; R274-I277 HydrophobicContact CB-CD1 3.97Å; R274-I277 HydrophobicContact CB-CG1 4.11Å; R274-I277 HydrophobicContact CG-CD1 4.13Å; R274-I277 WeakPolarHBondContact O-CA 3.14Å; R274-I277 WeakPolarHBondContact O-CB 3.26Å; R274-I277 PolarHBondContact O-N 3.23Å; R274-N278 PolarHBondContact O-N 3.01Å | ||
| 275 | L | 81.7 | Confident | 86.1 | Confident | 68 Ų | 68 | 45.2 Ų | 45.2 | 36% | 0.356 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -53.9 | -31.8 | 174.7 | -177.7 | 64.5 | 0 | 0 | 0 | 114.1 | F251 I277 K279 | F251-L275 HydrophobicContact CD2-CD1 4.21Å; F251-L275 HydrophobicContact CE2-CD1 3.62Å; L275-I277 VanDerWaalsContact C-N 3.34Å; L275-K279 WeakPolarHBondContact O-CG 3.18Å; L275-K279 PolarHBondContact O-N 3.3Å |
| 276 | R | 78.9 | Confident | 86.1 | Confident | 112 Ų | 112 | 50.1 Ų | 50.1 | 42% | 0.423 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65.1 | -35.6 | 174 | -77.7 | -179.4 | 162.5 | -150.5 | -11.7 | 112.4 | D51 Y55 R274 K279 R280 | D51-R276 IonicContact OD1-NH1 2.63Å; D51-R276 IonicContact OD2-CZ 3.92Å; D51-R276 IonicContact OD2-NH1 3.79Å; D51-R276 PolarHBondContact OD2-NH1 2.89Å; D51-R276 IonicContact OD2-NH2 3.69Å; D51-R276 PolarHBondContact OD2-NH2 3.01Å; Y55-R276 VanDerWaalsContact CD2-NH1 3.3Å; R274-R276 PolarHBondContact O-N 3.42Å; R274-R276 VanDerWaalsContact O-N 3.11Å; R276-K279 PolarHBondContact O-N 3.34Å; R276-R280 PolarHBondContact O-N 3.27Å |
| 277 | I | 83.4 | Confident | 86 | Confident | 39 Ų | 39 | 48.3 Ų | 48.3 | 20% | 0.2 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -69.9 | -47.4 | 177.3 | -68.4 | 171.8 | 0 | 0 | 0 | 109.9 | F207 A272 P273 R274 L275 K279 R280 I281 | F207-I277 HydrophobicContact CD1-CG2 3.56Å; F207-I277 HydrophobicContact CE1-CG2 4.07Å; F207-I277 HydrophobicContact CG-CG2 4.44Å; A272-I277 HydrophobicContact CB-CG2 4.31Å; P273-I277 HydrophobicContact CG-CD1 4.41Å; R274-I277 HydrophobicContact CB-CB 4.43Å; R274-I277 HydrophobicContact CB-CD1 3.97Å; R274-I277 HydrophobicContact CB-CG1 4.11Å; R274-I277 HydrophobicContact CG-CD1 4.13Å; R274-I277 WeakPolarHBondContact O-CA 3.14Å; R274-I277 WeakPolarHBondContact O-CB 3.26Å; R274-I277 PolarHBondContact O-N 3.23Å; L275-I277 VanDerWaalsContact C-N 3.34Å; I277-K279 PolarHBondContact O-N 3.31Å; I277-R280 CarbonylContact O-C 3.57Å; I277-R280 WeakPolarHBondContact O-CA 3.3Å; I277-R280 WeakPolarHBondContact O-CB 3.22Å; I277-R280 PolarHBondContact O-N 3.06Å; I277-I281 HydrophobicContact CG2-CD1 3.69Å; I277-I281 HydrophobicContact CG2-CG1 4.11Å; I277-I281 WeakPolarHBondContact O-CG1 3.49Å; I277-I281 PolarHBondContact O-N 3.04Å |
| 278 | N | 85.6 | Confident | 86 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -54.5 | -37.7 | 174.6 | -80.1 | -17.3 | 0 | 0 | 0 | 112.8 | F251 D253 K254 F256 A272 R274 L282 | F251-N278 HydrophobicContact CB-CB 4.3Å; F251-N278 HydrophobicContact CD1-CB 4.12Å; F251-N278 HydrophobicContact CD2-CB 3.9Å; F251-N278 HydrophobicContact CE1-CB 4.49Å; F251-N278 HydrophobicContact CE2-CB 4.32Å; F251-N278 HydrophobicContact CG-CB 3.84Å; D253-N278 PolarHBondContact O-ND2 3.06Å; K254-N278 PolarHBondContact O-ND2 3.38Å; K254-N278 VanDerWaalsContact O-ND2 3.1Å; F256-N278 HydrophobicContact CD2-CB 4.29Å; F256-N278 WeakPolarHBondContact CD2-OD1 3.28Å; A272-N278 WeakPolarHBondContact CB-OD1 3.38Å; R274-N278 PolarHBondContact O-N 3.01Å; N278-L282 WeakPolarHBondContact O-CB 3.2Å; N278-L282 PolarHBondContact O-N 2.73Å |
| 279 | K | 84.9 | Confident | 85.7 | Confident | 112 Ų | 112 | 47.2 Ų | 47.2 | 49% | 0.487 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -70 | -25.6 | 173.6 | -72.8 | 172.3 | -179.4 | 174.8 | 0 | 114.2 | F251 L275 R276 I277 A283 | F251-K279 HydrophobicContact CE1-CG 4.1Å; F251-K279 HydrophobicContact CE2-CG 4.33Å; F251-K279 HydrophobicContact CZ-CD 4.42Å; F251-K279 HydrophobicContact CZ-CG 3.52Å; L275-K279 WeakPolarHBondContact O-CG 3.18Å; L275-K279 PolarHBondContact O-N 3.3Å; R276-K279 PolarHBondContact O-N 3.34Å; I277-K279 PolarHBondContact O-N 3.31Å; K279-A283 WeakPolarHBondContact O-CB 3.31Å |
| 280 | R | 84.2 | Confident | 85.3 | Confident | 101 Ų | 101 | 53.3 Ų | 53.3 | 38% | 0.381 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -79.6 | -44.5 | 172.3 | -163.2 | 177.4 | 93.5 | -179.4 | -0.9 | 111.1 | F207 R276 I277 A283 L284 | F207-R280 HydrophobicContact CE1-CB 4.16Å; F207-R280 HydrophobicContact CE1-CG 4.25Å; F207-R280 VanDerWaalsContact CE1-NH2 3.32Å; F207-R280 HydrophobicContact CZ-CB 4.32Å; F207-R280 HydrophobicContact CZ-CG 4.12Å; F207-R280 VanDerWaalsContact CZ-NE 3.27Å; R276-R280 PolarHBondContact O-N 3.27Å; I277-R280 CarbonylContact O-C 3.57Å; I277-R280 WeakPolarHBondContact O-CA 3.3Å; I277-R280 WeakPolarHBondContact O-CB 3.22Å; I277-R280 PolarHBondContact O-N 3.06Å; R280-A283 PolarHBondContact O-N 3.1Å; R280-L284 HydrophobicContact CG-CD1 4.4Å; R280-L284 WeakPolarHBondContact O-CG 3.25Å; R280-L284 PolarHBondContact O-N 3.17Å; R280-L284 VanDerWaalsContact O-N 3.12Å |
| 281 | I | 87.6 | Confident | 85 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -55.9 | -58.2 | 175.8 | -64.5 | 169.8 | 0 | 0 | 0 | 109.6 | F207 L219 V221 F256 F270 I277 A283 L284 C285 | F207-I281 HydrophobicContact CB-CD1 4.05Å; F207-I281 HydrophobicContact CB-CG1 4.31Å; F207-I281 HydrophobicContact CD1-CD1 4.08Å; F207-I281 HydrophobicContact CD1-CG1 3.67Å; F207-I281 HydrophobicContact CD2-CD1 4.35Å; F207-I281 HydrophobicContact CD2-CG1 3.71Å; F207-I281 HydrophobicContact CE1-CG1 3.68Å; F207-I281 HydrophobicContact CE2-CG1 3.77Å; F207-I281 HydrophobicContact CG-CD1 3.92Å; F207-I281 HydrophobicContact CG-CG1 3.63Å; F207-I281 HydrophobicContact CZ-CG1 3.74Å; L219-I281 HydrophobicContact CD2-CD1 4.24Å; L219-I281 HydrophobicContact CD2-CG2 3.97Å; V221-I281 HydrophobicContact CG2-CG2 4.4Å; F256-I281 HydrophobicContact CE1-CG2 4.19Å; F256-I281 HydrophobicContact CE2-CB 4.03Å; F256-I281 HydrophobicContact CE2-CG2 3.73Å; F256-I281 HydrophobicContact CZ-CB 4.27Å; F256-I281 HydrophobicContact CZ-CG2 3.53Å; F270-I281 HydrophobicContact CE2-CD1 4.27Å; F270-I281 HydrophobicContact CZ-CG2 4.5Å; I277-I281 HydrophobicContact CG2-CD1 3.69Å; I277-I281 HydrophobicContact CG2-CG1 4.11Å; I277-I281 WeakPolarHBondContact O-CG1 3.49Å; I277-I281 PolarHBondContact O-N 3.04Å; I281-A283 VanDerWaalsContact C-N 3.27Å; I281-A283 PolarHBondContact O-N 2.82Å; I281-L284 PolarHBondContact O-N 2.87Å; I281-C285 PolarHBondContact O-N 3.13Å; I281-C285 PolarHBondContact O-SG 2.85Å |
| 282 | L | 87.7 | Confident | 84.7 | Confident | 35 Ų | 35 | 50.2 Ų | 50.2 | 18% | 0.183 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -55.5 | -42 | -178.7 | -177.1 | 67.2 | 0 | 0 | 0 | 112.4 | I249 F251 F256 N278 L284 C285 M286 | I249-L282 HydrophobicContact CB-CD1 3.9Å; I249-L282 HydrophobicContact CG2-CD1 3.63Å; I249-L282 WeakPolarHBondContact O-CD1 3.31Å; F251-L282 HydrophobicContact CD1-CB 4.18Å; F251-L282 HydrophobicContact CD1-CD2 3.93Å; F251-L282 HydrophobicContact CE1-CB 4.16Å; F251-L282 HydrophobicContact CE1-CD2 3.65Å; F256-L282 HydrophobicContact CE2-CB 4.32Å; F256-L282 HydrophobicContact CZ-CB 4.3Å; F256-L282 HydrophobicContact CZ-CD1 4.49Å; N278-L282 WeakPolarHBondContact O-CB 3.2Å; N278-L282 PolarHBondContact O-N 2.73Å; L282-L284 PolarHBondContact O-N 2.67Å; L282-C285 PolarHBondContact O-N 2.97Å; L282-M286 HydrophobicContact CD1-CG 3.95Å; L282-M286 HydrophobicContact CD1-SD 3.99Å; L282-M286 HydrophobicContact CD2-SD 4.29Å; L282-M286 HydrophobicContact CG-CG 4.22Å; L282-M286 HydrophobicContact CG-SD 3.82Å; L282-M286 WeakPolarHBondContact O-CB 3.48Å; L282-M286 VanDerWaalsContact O-CG 3.3Å; L282-M286 WeakPolarHBondContact O-CG 3.22Å; L282-M286 PolarHBondContact O-N 3.33Å |
| 283 | A | 85.9 | Confident | 84.3 | Confident | 48 Ų | 48 | 53.1 Ų | 53.1 | 40% | 0.397 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -75 | -6.7 | 180 | 0 | 0 | 0 | 0 | 0 | 114.7 | K83 K279 R280 I281 | K83-A283 PolarHBondContact NZ-O 3.1Å; K279-A283 WeakPolarHBondContact O-CB 3.31Å; R280-A283 PolarHBondContact O-N 3.1Å; I281-A283 VanDerWaalsContact C-N 3.27Å; I281-A283 PolarHBondContact O-N 2.82Å |
| 284 | L | 87.2 | Confident | 84.2 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -95.7 | -49.6 | 165.6 | -71.3 | 166.6 | 0 | 0 | 0 | 110.1 | K83 F84 N205 F207 V221 R280 I281 L282 M286 G287 N288 | K83-L284 HydrophobicContact CG-CD2 3.95Å; F84-L284 HydrophobicContact CE1-CD2 4.34Å; N205-L284 HydrophobicContact CB-CD1 3.87Å; N205-L284 WeakPolarHBondContact OD1-CD1 3.41Å; F207-L284 HydrophobicContact CE2-CD1 3.86Å; F207-L284 HydrophobicContact CZ-CD1 3.69Å; V221-L284 HydrophobicContact CG1-CB 4.06Å; R280-L284 HydrophobicContact CG-CD1 4.4Å; R280-L284 WeakPolarHBondContact O-CG 3.25Å; R280-L284 PolarHBondContact O-N 3.17Å; R280-L284 VanDerWaalsContact O-N 3.12Å; I281-L284 PolarHBondContact O-N 2.87Å; L282-L284 PolarHBondContact O-N 2.67Å; L284-M286 VanDerWaalsContact C-N 3.34Å; L284-M286 PolarHBondContact O-N 2.71Å; L284-G287 PolarHBondContact O-N 2.74Å; L284-G287 VanDerWaalsContact O-N 3.13Å; L284-N288 PolarHBondContact O-N 3.28Å |
| 285 | C | 87.9 | Confident | 84 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.6 | -44.3 | -178.8 | -55.5 | 0 | 0 | 0 | 0 | 112.7 | W243 I249 I281 L282 G287 H289 | W243-C285 VanDerWaalsContact CH2-CA 3.49Å; W243-C285 HydrophobicContact CH2-CB 3.54Å; W243-C285 HydrophobicContact CZ3-CB 3.93Å; I249-C285 HydrophobicContact CD1-CB 3.54Å; I249-C285 HydrophobicContact CG2-CB 4.39Å; I281-C285 PolarHBondContact O-N 3.13Å; I281-C285 PolarHBondContact O-SG 2.85Å; L282-C285 PolarHBondContact O-N 2.97Å; C285-G287 PolarHBondContact O-N 3.43Å; C285-H289 WeakPolarHBondContact O-CB 3.22Å; C285-H289 PolarHBondContact O-N 2.74Å |
| 286 | M | 84.4 | Confident | 83.8 | Confident | 115 Ų | 115 | 49.7 Ų | 49.7 | 57% | 0.567 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -60.2 | -43.9 | 177.2 | -72.1 | 178.5 | 69.9 | 0 | 0 | 112.1 | L282 L284 E290 | L282-M286 HydrophobicContact CD1-CG 3.95Å; L282-M286 HydrophobicContact CD1-SD 3.99Å; L282-M286 HydrophobicContact CD2-SD 4.29Å; L282-M286 HydrophobicContact CG-CG 4.22Å; L282-M286 HydrophobicContact CG-SD 3.82Å; L282-M286 WeakPolarHBondContact O-CB 3.48Å; L282-M286 VanDerWaalsContact O-CG 3.3Å; L282-M286 WeakPolarHBondContact O-CG 3.22Å; L282-M286 PolarHBondContact O-N 3.33Å; L284-M286 VanDerWaalsContact C-N 3.34Å; L284-M286 PolarHBondContact O-N 2.71Å; M286-E290 VanDerWaalsContact O-CB 3.31Å; M286-E290 WeakPolarHBondContact O-CB 3.47Å; M286-E290 PolarHBondContact O-N 3.32Å |
| 287 | G | 84.9 | Confident | 83.7 | Confident | 8 Ų | 8 | 49.5 Ų | 49.5 | 8% | 0.082 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -78.8 | -34.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114 | L284 C285 E290 L291 | L284-G287 PolarHBondContact O-N 2.74Å; L284-G287 VanDerWaalsContact O-N 3.13Å; C285-G287 PolarHBondContact O-N 3.43Å; G287-E290 PolarHBondContact O-N 2.85Å; G287-L291 WeakPolarHBondContact O-CB 3.35Å; G287-L291 VanDerWaalsContact O-CG 3.31Å; G287-L291 WeakPolarHBondContact O-CG 3.5Å; G287-L291 PolarHBondContact O-N 2.69Å |
| 288 | N | 88.3 | Confident | 83.1 | Confident | 4 Ų | 4 | 53.3 Ų | 53.3 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.6 | -43.3 | 170.2 | -79.1 | -29.8 | 0 | 0 | 0 | 110.6 | F84 D222 W243 L284 L291 Y292 | F84-N288 VanDerWaalsContact CD1-OD1 3.28Å; F84-N288 WeakPolarHBondContact CD1-OD1 3.08Å; D222-N288 WeakPolarHBondContact O-CB 3.13Å; D222-N288 VanDerWaalsContact O-CG 3.25Å; D222-N288 PolarHBondContact O-ND2 2.91Å; W243-N288 HydrophobicContact CZ2-CB 3.73Å; L284-N288 PolarHBondContact O-N 3.28Å; N288-L291 PolarHBondContact O-N 2.7Å; N288-Y292 WeakPolarHBondContact O-CB 3.36Å; N288-Y292 PolarHBondContact O-N 2.85Å |
| 289 | H | 82.4 | Confident | 82.8 | Confident | 46 Ų | 46 | 56.4 Ų | 56.4 | 21% | 0.213 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.3 | -39.6 | 175.1 | -175.8 | 86.7 | 0 | 0 | 0 | 112.7 | W243 I246 C285 Y292 M293 | W243-H289 HydrophobicContact CD2-CB 4.09Å; W243-H289 HydrophobicContact CE3-CB 3.81Å; W243-H289 AromaticContact CE3-ND1 3.94Å; W243-H289 HydrophobicContact CG-CB 4.5Å; W243-H289 HydrophobicContact CZ3-CB 4.38Å; W243-H289 PolarHBondContact O-CE1 3.35Å; W243-H289 PolarHBondContact O-ND1 2.76Å; I246-H289 PolarHBondContact O-CE1 3.23Å; I246-H289 VanDerWaalsContact O-CE1 3.3Å; C285-H289 WeakPolarHBondContact O-CB 3.22Å; C285-H289 PolarHBondContact O-N 2.74Å; H289-Y292 PolarHBondContact O-N 3.09Å; H289-M293 VanDerWaalsContact CE1-CE 3.43Å; H289-M293 WeakPolarHBondContact CE1-CE 3.05Å; H289-M293 WeakPolarHBondContact O-CB 3.4Å; H289-M293 VanDerWaalsContact O-CG 3.24Å; H289-M293 WeakPolarHBondContact O-CG 3.18Å; H289-M293 PolarHBondContact O-N 3Å |
| 290 | E | 83.4 | Confident | 82.7 | Confident | 146 Ų | 146 | 54 Ų | 54 | 68% | 0.682 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -62.6 | -43.9 | 175.1 | -174 | 174.8 | -176.9 | 0 | 0 | 111.9 | M286 G287 M293 R294 | M286-E290 VanDerWaalsContact O-CB 3.31Å; M286-E290 WeakPolarHBondContact O-CB 3.47Å; M286-E290 PolarHBondContact O-N 3.32Å; G287-E290 PolarHBondContact O-N 2.85Å; E290-M293 PolarHBondContact O-N 3.39Å; E290-R294 WeakPolarHBondContact O-CB 3.43Å; E290-R294 PolarHBondContact O-N 2.72Å |
| 291 | L | 84.8 | Confident | 82.7 | Confident | 18 Ų | 18 | 55 Ų | 55 | 9% | 0.094 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.3 | -44.4 | 175.1 | -69.9 | 172 | 0 | 0 | 0 | 112.5 | W43 F84 G287 N288 M293 R294 R295 | W43-L291 HydrophobicContact CB-CD2 4.08Å; W43-L291 HydrophobicContact CG-CD2 4.26Å; F84-L291 HydrophobicContact CB-CD1 3.59Å; F84-L291 HydrophobicContact CD1-CD1 4.44Å; F84-L291 HydrophobicContact CD2-CD1 4.08Å; F84-L291 HydrophobicContact CG-CD1 3.82Å; G287-L291 WeakPolarHBondContact O-CB 3.35Å; G287-L291 VanDerWaalsContact O-CG 3.31Å; G287-L291 WeakPolarHBondContact O-CG 3.5Å; G287-L291 PolarHBondContact O-N 2.69Å; N288-L291 PolarHBondContact O-N 2.7Å; L291-M293 VanDerWaalsContact C-N 3.28Å; L291-M293 PolarHBondContact O-N 2.91Å; L291-R294 WeakPolarHBondContact O-CB 3.22Å; L291-R294 PolarHBondContact O-N 2.86Å; L291-R295 WeakPolarHBondContact O-CG 3.48Å; L291-R295 PolarHBondContact O-N 3Å |
| 292 | Y | 83.9 | Confident | 82.4 | Confident | 1 Ų | 1 | 61.5 Ų | 61.5 | 0% | 0.004 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -55.1 | -42.3 | 174.9 | -177.5 | -86 | 0 | 0 | 0 | 112.6 | E87 W243 S244 N288 H289 R296 E508 | E87-Y292 WeakPolarHBondContact OE1-CD2 3.44Å; W243-Y292 HydrophobicContact CB-CD1 3.5Å; W243-Y292 HydrophobicContact CB-CD2 3.68Å; W243-Y292 HydrophobicContact CB-CE1 3.67Å; W243-Y292 HydrophobicContact CB-CE2 3.79Å; W243-Y292 HydrophobicContact CB-CG 3.5Å; W243-Y292 AromaticContact CD1-CD2 3.51Å; W243-Y292 AromaticContact CD1-CG 3.87Å; W243-Y292 HydrophobicContact CG-CD1 4.47Å; W243-Y292 AromaticContact CG-CD2 3.98Å; W243-Y292 HydrophobicContact CG-CD2 3.98Å; W243-Y292 HydrophobicContact CG-CE2 4.36Å; W243-Y292 HydrophobicContact CG-CG 4.01Å; S244-Y292 WeakPolarHBondContact CB-OH 3.23Å; S244-Y292 PolarHBondContact OG-OH 3.05Å; N288-Y292 WeakPolarHBondContact O-CB 3.36Å; N288-Y292 PolarHBondContact O-N 2.85Å; H289-Y292 PolarHBondContact O-N 3.09Å; Y292-R296 VanDerWaalsContact CD2-NH1 3.28Å; Y292-R296 PolarHBondContact O-N 2.95Å; Y292-R296 PolarHBondContact O-NH1 2.98Å; Y292-E508 WeakPolarHBondContact CE2-OE1 3.38Å; Y292-E508 VanDerWaalsContact CZ-OE1 3.29Å; Y292-E508 PolarHBondContact OH-OE1 3.33Å |
| 293 | M | 80.2 | Confident | 82.2 | Confident | 65 Ų | 65 | 60.2 Ų | 60.2 | 32% | 0.32 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -76.8 | -25.3 | 176.3 | -69 | -65.5 | 176.3 | 0 | 0 | 112.9 | H289 E290 L291 | H289-M293 VanDerWaalsContact CE1-CE 3.43Å; H289-M293 WeakPolarHBondContact CE1-CE 3.05Å; H289-M293 WeakPolarHBondContact O-CB 3.4Å; H289-M293 VanDerWaalsContact O-CG 3.24Å; H289-M293 WeakPolarHBondContact O-CG 3.18Å; H289-M293 PolarHBondContact O-N 3Å; E290-M293 PolarHBondContact O-N 3.39Å; L291-M293 VanDerWaalsContact C-N 3.28Å; L291-M293 PolarHBondContact O-N 2.91Å |
| 294 | R | 79.7 | Confident | 82 | Confident | 91 Ų | 91 | 62.9 Ų | 62.9 | 34% | 0.343 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -70.3 | -42.3 | 170.8 | -172.9 | 178.2 | -178.1 | -178.1 | 1.4 | 111.7 | E290 L291 R296 K297 T300 | E290-R294 WeakPolarHBondContact O-CB 3.43Å; E290-R294 PolarHBondContact O-N 2.72Å; L291-R294 WeakPolarHBondContact O-CB 3.22Å; L291-R294 PolarHBondContact O-N 2.86Å; R294-R296 VanDerWaalsContact C-N 3.27Å; R294-R296 PolarHBondContact O-N 2.95Å; R294-K297 PolarHBondContact O-N 2.82Å; R294-T300 PolarHBondContact NH2-OG1 2.84Å |
| 295 | R | 77.3 | Confident | 82 | Confident | 59 Ų | 59 | 68.9 Ų | 68.9 | 22% | 0.223 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.3 | -29.2 | 178.1 | -68.5 | 160.3 | -176.9 | 143.6 | -3.5 | 113.8 | F85 E87 E92 L291 K297 | F85-R295 PolarHBondContact O-NH2 3.26Å; E87-R295 WeakPolarHBondContact OE1-CD 3.33Å; E87-R295 IonicContact OE1-CZ 3.65Å; E87-R295 IonicContact OE1-NE 3.64Å; E87-R295 IonicContact OE1-NH1 3.86Å; E87-R295 PolarHBondContact OE1-NH1 3.07Å; E92-R295 IonicContact OE1-CZ 3.13Å; E92-R295 IonicContact OE1-NE 2.79Å; E92-R295 PolarHBondContact OE1-NE 3.22Å; E92-R295 IonicContact OE1-NH2 2.66Å; E92-R295 PolarHBondContact OE1-NH2 3.18Å; E92-R295 IonicContact OE2-CZ 2.76Å; E92-R295 VanDerWaalsContact OE2-CZ 3.25Å; E92-R295 IonicContact OE2-NE 3.71Å; E92-R295 PolarHBondContact OE2-NE 3.06Å; E92-R295 IonicContact OE2-NH2 3.8Å; E92-R295 PolarHBondContact OE2-NH2 2.91Å; L291-R295 WeakPolarHBondContact O-CG 3.48Å; L291-R295 PolarHBondContact O-N 3Å; R295-K297 PolarHBondContact O-N 2.87Å |
| 296 | R | 77.6 | Confident | 81.8 | Confident | 42 Ų | 42 | 69.6 Ų | 69.6 | 16% | 0.158 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 22.3 | 178.3 | -69.7 | 162.7 | -175.4 | 68.4 | 4.7 | 112.4 | E87 Y292 R294 E508 | E87-R296 IonicContact OE1-CZ 3.55Å; E87-R296 IonicContact OE1-NH1 3.3Å; E87-R296 PolarHBondContact OE1-NH1 2.6Å; E87-R296 IonicContact OE1-NH2 3.27Å; E87-R296 IonicContact OE2-CZ 3.73Å; E87-R296 IonicContact OE2-NH1 2.8Å; E87-R296 PolarHBondContact OE2-NH1 3.25Å; E87-R296 IonicContact OE2-NH2 2.76Å; E87-R296 PolarHBondContact OE2-NH2 2.92Å; Y292-R296 VanDerWaalsContact CD2-NH1 3.28Å; Y292-R296 PolarHBondContact O-N 2.95Å; Y292-R296 PolarHBondContact O-NH1 2.98Å; R294-R296 VanDerWaalsContact C-N 3.27Å; R294-R296 PolarHBondContact O-N 2.95Å; R296-E508 IonicContact CZ-OE1 2.64Å; R296-E508 IonicContact NH2-OE1 3.67Å; R296-E508 PolarHBondContact NH2-OE1 2.85Å |
| 297 | K | 76.2 | Confident | 81.8 | Confident | 108 Ų | 108 | 66.7 Ų | 66.7 | 47% | 0.47 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -127.5 | 157.9 | 167.4 | -67.1 | -173.3 | 177.4 | -152.5 | 0 | 108.6 | R294 R295 N497 | R294-K297 PolarHBondContact O-N 2.82Å; R295-K297 PolarHBondContact O-N 2.87Å; K297-N497 PolarHBondContact NZ-OD1 3.28Å |
| 298 | P | 72.1 | Confident | 81.8 | Confident | 119 Ų | 119 | 68.6 Ų | 68.6 | 77% | 0.773 | 34% | 0.339 | S | S | * | . | P | Polyproline II helix | trans | -53.8 | 142.9 | 172.9 | -26 | 35.2 | 0 | 0 | 0 | 112.3 | T300 | P298-T300 PolarHBondContact O-N 3.32Š|
| 299 | D | 77.9 | Confident | 81.7 | Confident | 66 Ų | 66 | 71.8 Ų | 71.8 | 35% | 0.353 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -54.4 | 131.6 | 175.9 | -88.2 | -29.9 | 0 | 0 | 0 | 110.6 | V303 Q304 K307 | D299-V303 HydrophobicContact CB-CB 4.32Å; D299-V303 HydrophobicContact CB-CG1 4.03Å; D299-V303 WeakPolarHBondContact OD1-CG1 3.45Å; D299-Q304 HydrophobicContact CB-CG 3.65Å; D299-Q304 PolarHBondContact O-NE2 3.21Å; D299-K307 IonicContact OD1-NZ 3.28Å; D299-K307 WeakPolarHBondContact OD2-CD 3.22Å; D299-K307 WeakPolarHBondContact OD2-CE 3.45Å; D299-K307 IonicContact OD2-NZ 3.67Å; D299-K307 PolarHBondContact OD2-NZ 2.99Å |
| 300 | T | 83.5 | Confident | 81.6 | Confident | 61 Ų | 61 | 70.7 Ų | 70.7 | 37% | 0.374 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 149.1 | 173.5 | 46 | 0 | 0 | 0 | 0 | 111 | R294 P298 E302 V303 Q304 | R294-T300 PolarHBondContact NH2-OG1 2.84Å; P298-T300 PolarHBondContact O-N 3.32Å; T300-E302 PolarHBondContact O-N 3.14Å; T300-E302 VanDerWaalsContact O-N 3.09Å; T300-V303 WeakPolarHBondContact O-CA 3.4Å; T300-V303 WeakPolarHBondContact O-CB 3.39Å; T300-V303 PolarHBondContact O-N 3.27Å; T300-V303 VanDerWaalsContact OG1-CG2 3.31Å; T300-V303 WeakPolarHBondContact OG1-CG2 3.32Å; T300-Q304 PolarHBondContact O-N 3.12Å |
| 301 | I | 83.6 | Confident | 81.6 | Confident | 123 Ų | 123 | 72.1 Ų | 72.1 | 63% | 0.631 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -49.3 | -43 | -176.3 | -59.1 | 174.1 | 0 | 0 | 0 | 112.5 | V303 Q304 Q305 | I301-V303 VanDerWaalsContact C-N 3.3Å; I301-V303 PolarHBondContact O-N 3.08Å; I301-Q304 PolarHBondContact O-N 3.22Å; I301-Q305 HydrophobicContact CG2-CG 4.32Å; I301-Q305 WeakPolarHBondContact O-CB 3.41Å; I301-Q305 WeakPolarHBondContact O-CG 3.33Å; I301-Q305 PolarHBondContact O-N 3.15Å |
| 302 | E | 81.6 | Confident | 81.6 | Confident | 135 Ų | 135 | 78 Ų | 78 | 63% | 0.631 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -57.1 | -39.9 | 175.1 | -60.1 | -179.4 | 150.2 | 0 | 0 | 113.2 | T300 M306 | T300-E302 PolarHBondContact O-N 3.14Å; T300-E302 VanDerWaalsContact O-N 3.09Å; E302-M306 WeakPolarHBondContact O-CB 3.4Å; E302-M306 VanDerWaalsContact O-CG 3.24Å; E302-M306 WeakPolarHBondContact O-CG 3.25Å; E302-M306 PolarHBondContact O-N 2.89Å |
| 303 | V | 83.6 | Confident | 81.6 | Confident | 8 Ų | 8 | 82.9 Ų | 82.9 | 5% | 0.048 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -73.9 | -39.1 | 178.9 | 172.6 | 0 | 0 | 0 | 0 | 110.7 | W43 I94 D299 T300 I301 M306 K307 | W43-V303 HydrophobicContact CH2-CG2 3.91Å; W43-V303 HydrophobicContact CZ2-CG2 4.4Å; I94-V303 HydrophobicContact CD1-CG1 3.89Å; D299-V303 HydrophobicContact CB-CB 4.32Å; D299-V303 HydrophobicContact CB-CG1 4.03Å; D299-V303 WeakPolarHBondContact OD1-CG1 3.45Å; T300-V303 WeakPolarHBondContact O-CA 3.4Å; T300-V303 WeakPolarHBondContact O-CB 3.39Å; T300-V303 PolarHBondContact O-N 3.27Å; T300-V303 VanDerWaalsContact OG1-CG2 3.31Å; T300-V303 WeakPolarHBondContact OG1-CG2 3.32Å; I301-V303 VanDerWaalsContact C-N 3.3Å; I301-V303 PolarHBondContact O-N 3.08Å; V303-M306 PolarHBondContact O-N 2.85Å; V303-K307 HydrophobicContact CG1-CD 4.29Å; V303-K307 WeakPolarHBondContact O-CB 3.37Å; V303-K307 WeakPolarHBondContact O-CG 3.49Å; V303-K307 PolarHBondContact O-N 3.1Å |
| 304 | Q | 82.8 | Confident | 81.6 | Confident | 105 Ų | 105 | 82.9 Ų | 82.9 | 49% | 0.491 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63 | -44.3 | 173.6 | -60.9 | -173 | 12.2 | 0 | 0 | 111.3 | D299 T300 I301 K307 A308 | D299-Q304 HydrophobicContact CB-CG 3.65Å; D299-Q304 PolarHBondContact O-NE2 3.21Å; T300-Q304 PolarHBondContact O-N 3.12Å; I301-Q304 PolarHBondContact O-N 3.22Å; Q304-K307 CarbonylContact O-C 3.59Å; Q304-K307 PolarHBondContact O-N 3.24Å; Q304-A308 WeakPolarHBondContact O-CB 3.44Å; Q304-A308 PolarHBondContact O-N 3.46Å |
| 305 | Q | 86 | Confident | 81.7 | Confident | 127 Ų | 127 | 83.6 Ų | 83.6 | 59% | 0.593 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -62.2 | -43 | 174.4 | -74 | 175.7 | -10.4 | 0 | 0 | 111.9 | I301 A308 Q309 | I301-Q305 HydrophobicContact CG2-CG 4.32Å; I301-Q305 WeakPolarHBondContact O-CB 3.41Å; I301-Q305 WeakPolarHBondContact O-CG 3.33Å; I301-Q305 PolarHBondContact O-N 3.15Å; Q305-A308 PolarHBondContact O-N 2.93Å; Q305-Q309 WeakPolarHBondContact O-CB 3.36Å; Q305-Q309 PolarHBondContact O-N 3.42Å |
| 306 | M | 83.6 | Confident | 82.1 | Confident | 15 Ų | 15 | 86.7 Ų | 86.7 | 7% | 0.074 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 173.5 | -76.2 | 170.9 | 51.6 | 0 | 0 | 112.2 | R40 E41 W43 I94 Q95 E302 V303 A308 Q309 A310 | R40-M306 HydrophobicContact CB-CE 3.64Å; R40-M306 HydrophobicContact CB-SD 3.7Å; R40-M306 HydrophobicContact CG-SD 4.47Å; E41-M306 HydrophobicContact CG-CE 3.49Å; E41-M306 VanDerWaalsContact CG-CE 3.49Å; W43-M306 HydrophobicContact CH2-CE 4.26Å; I94-M306 HydrophobicContact CD1-CB 4.41Å; I94-M306 HydrophobicContact CD1-CE 4.24Å; I94-M306 HydrophobicContact CG2-CB 4.04Å; I94-M306 WeakPolarHBondContact CG2-O 3.28Å; Q95-M306 HydrophobicContact CG-CE 4.38Å; E302-M306 WeakPolarHBondContact O-CB 3.4Å; E302-M306 VanDerWaalsContact O-CG 3.24Å; E302-M306 WeakPolarHBondContact O-CG 3.25Å; E302-M306 PolarHBondContact O-N 2.89Å; V303-M306 PolarHBondContact O-N 2.85Å; M306-A308 VanDerWaalsContact C-N 3.29Å; M306-A308 PolarHBondContact O-N 2.9Å; M306-Q309 PolarHBondContact O-N 3.3Å; M306-A310 VanDerWaalsContact O-CB 3.31Å; M306-A310 WeakPolarHBondContact O-CB 3.38Å; M306-A310 PolarHBondContact O-N 3.29Å |
| 307 | K | 85.2 | Confident | 82.2 | Confident | 54 Ų | 54 | 88.2 Ų | 88.2 | 24% | 0.235 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -67 | -27.6 | 174.8 | -76.6 | -179.2 | 176.9 | 177.3 | 0 | 112.6 | I94 D299 V303 Q304 R311 | I94-K307 HydrophobicContact CD1-CG 3.86Å; I94-K307 HydrophobicContact CG1-CG 3.83Å; I94-K307 HydrophobicContact CG2-CG 4.1Å; D299-K307 IonicContact OD1-NZ 3.28Å; D299-K307 WeakPolarHBondContact OD2-CD 3.22Å; D299-K307 WeakPolarHBondContact OD2-CE 3.45Å; D299-K307 IonicContact OD2-NZ 3.67Å; D299-K307 PolarHBondContact OD2-NZ 2.99Å; V303-K307 HydrophobicContact CG1-CD 4.29Å; V303-K307 WeakPolarHBondContact O-CB 3.37Å; V303-K307 WeakPolarHBondContact O-CG 3.49Å; V303-K307 PolarHBondContact O-N 3.1Å; Q304-K307 CarbonylContact O-C 3.59Å; Q304-K307 PolarHBondContact O-N 3.24Å; K307-R311 WeakPolarHBondContact O-CB 3.42Å; K307-R311 WeakPolarHBondContact O-CG 3.23Å; K307-R311 PolarHBondContact O-N 3.45Å; K307-R311 PolarHBondContact O-NE 3.25Å |
| 308 | A | 85 | Confident | 82.4 | Confident | 48 Ų | 48 | 87.3 Ų | 87.3 | 40% | 0.397 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -72.8 | -55.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q304 Q305 M306 A310 R311 E312 | Q304-A308 WeakPolarHBondContact O-CB 3.44Å; Q304-A308 PolarHBondContact O-N 3.46Å; Q305-A308 PolarHBondContact O-N 2.93Å; M306-A308 VanDerWaalsContact C-N 3.29Å; M306-A308 PolarHBondContact O-N 2.9Å; A308-A310 VanDerWaalsContact C-N 3.34Å; A308-A310 PolarHBondContact O-N 2.88Å; A308-R311 PolarHBondContact O-N 3Å; A308-E312 PolarHBondContact O-N 2.93Å |
| 309 | Q | 84.9 | Confident | 83 | Confident | 70 Ų | 70 | 85.8 Ų | 85.8 | 33% | 0.327 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -53.4 | -47.4 | 179.1 | -173 | -174 | -16.5 | 0 | 0 | 111.7 | Q305 M306 R311 E312 E313 | Q305-Q309 WeakPolarHBondContact O-CB 3.36Å; Q305-Q309 PolarHBondContact O-N 3.42Å; M306-Q309 PolarHBondContact O-N 3.3Å; Q309-R311 VanDerWaalsContact C-N 3.34Å; Q309-R311 PolarHBondContact O-N 3.06Å; Q309-E312 PolarHBondContact O-N 3.28Å; Q309-E313 HydrophobicContact CG-CG 4.44Å; Q309-E313 WeakPolarHBondContact CG-OE1 3.31Å; Q309-E313 PolarHBondContact NE2-OE1 3.42Å; Q309-E313 WeakPolarHBondContact O-CB 3.35Å; Q309-E313 WeakPolarHBondContact O-CG 3.47Å; Q309-E313 PolarHBondContact O-N 3.26Å |
| 310 | A | 81.9 | Confident | 83.3 | Confident | 24 Ų | 24 | 87.8 Ų | 87.8 | 20% | 0.198 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -66.8 | -31.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | I94 M306 A308 K314 | I94-A310 HydrophobicContact CG2-CB 3.78Å; I94-A310 WeakPolarHBondContact O-CB 3.42Å; M306-A310 VanDerWaalsContact O-CB 3.31Å; M306-A310 WeakPolarHBondContact O-CB 3.38Å; M306-A310 PolarHBondContact O-N 3.29Å; A308-A310 VanDerWaalsContact C-N 3.34Å; A308-A310 PolarHBondContact O-N 2.88Å; A310-K314 VanDerWaalsContact O-CB 3.28Å; A310-K314 WeakPolarHBondContact O-CB 3.22Å; A310-K314 PolarHBondContact O-N 2.89Å; A310-K314 VanDerWaalsContact O-N 3.08Å |
| 311 | R | 83.2 | Confident | 83 | Confident | 175 Ų | 175 | 89.2 Ų | 89.2 | 66% | 0.66 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -73.5 | -38.9 | 173.8 | -80.4 | -178.8 | -71.6 | 179.5 | -0.4 | 111.6 | K307 A308 Q309 H315 | K307-R311 WeakPolarHBondContact O-CB 3.42Å; K307-R311 WeakPolarHBondContact O-CG 3.23Å; K307-R311 PolarHBondContact O-N 3.45Å; K307-R311 PolarHBondContact O-NE 3.25Å; A308-R311 PolarHBondContact O-N 3Å; Q309-R311 VanDerWaalsContact C-N 3.34Å; Q309-R311 PolarHBondContact O-N 3.06Å; R311-H315 VanDerWaalsContact O-CB 3.28Å; R311-H315 WeakPolarHBondContact O-CB 3.35Å; R311-H315 PolarHBondContact O-N 2.74Å |
| 312 | E | 84.8 | Confident | 83 | Confident | 143 Ų | 143 | 86.2 Ų | 86.2 | 67% | 0.668 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -65.3 | -48.6 | 175.3 | -173.5 | 174.5 | -167.9 | 0 | 0 | 111.5 | A308 Q309 K314 H315 H316 | A308-E312 PolarHBondContact O-N 2.93Å; Q309-E312 PolarHBondContact O-N 3.28Å; E312-K314 VanDerWaalsContact C-N 3.35Å; E312-K314 PolarHBondContact O-N 3.3Å; E312-H315 PolarHBondContact O-N 2.67Å; E312-H316 WeakPolarHBondContact O-CB 3.14Å; E312-H316 PolarHBondContact O-N 3.27Å |
| 313 | E | 82.6 | Confident | 83.2 | Confident | 102 Ų | 102 | 86 Ų | 86 | 48% | 0.477 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -58 | -44.1 | 174.4 | -74.4 | 173.4 | -174.8 | 0 | 0 | 111.8 | Q309 H316 K317 | Q309-E313 HydrophobicContact CG-CG 4.44Å; Q309-E313 WeakPolarHBondContact CG-OE1 3.31Å; Q309-E313 PolarHBondContact NE2-OE1 3.42Å; Q309-E313 WeakPolarHBondContact O-CB 3.35Å; Q309-E313 WeakPolarHBondContact O-CG 3.47Å; Q309-E313 PolarHBondContact O-N 3.26Å; E313-H316 PolarHBondContact O-N 3.13Å; E313-K317 WeakPolarHBondContact O-CG 3.28Å; E313-K317 PolarHBondContact O-N 3.25Å |
| 314 | K | 80.4 | Confident | 83.2 | Confident | 66 Ų | 66 | 90.4 Ų | 90.4 | 29% | 0.287 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65.8 | -42.6 | 176.3 | -174.1 | 167.2 | -174.2 | 169.7 | 0 | 112.4 | D187 A310 E312 H316 K317 Q318 | D187-K314 IonicContact OD1-NZ 3.42Å; D187-K314 PolarHBondContact OD1-NZ 3.18Å; D187-K314 IonicContact OD2-NZ 2.75Å; A310-K314 VanDerWaalsContact O-CB 3.28Å; A310-K314 WeakPolarHBondContact O-CB 3.22Å; A310-K314 PolarHBondContact O-N 2.89Å; A310-K314 VanDerWaalsContact O-N 3.08Å; E312-K314 VanDerWaalsContact C-N 3.35Å; E312-K314 PolarHBondContact O-N 3.3Å; K314-H316 VanDerWaalsContact C-N 3.34Å; K314-K317 PolarHBondContact O-N 2.93Å; K314-Q318 WeakPolarHBondContact O-CB 3.35Å; K314-Q318 VanDerWaalsContact O-CG 3.3Å; K314-Q318 WeakPolarHBondContact O-CG 3.25Å; K314-Q318 PolarHBondContact O-N 3.15Å |
| 315 | H | 82.5 | Confident | 83.2 | Confident | 105 Ų | 105 | 90 Ų | 90 | 49% | 0.486 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.8 | -38.9 | 176.9 | -174.2 | -102.4 | 0 | 0 | 0 | 111.6 | R311 E312 Q318 M319 | R311-H315 VanDerWaalsContact O-CB 3.28Å; R311-H315 WeakPolarHBondContact O-CB 3.35Å; R311-H315 PolarHBondContact O-N 2.74Å; E312-H315 PolarHBondContact O-N 2.67Å; H315-Q318 PolarHBondContact O-N 3.33Å; H315-M319 VanDerWaalsContact CE1-SD 3.54Å; H315-M319 WeakPolarHBondContact O-CG 3.3Å; H315-M319 PolarHBondContact O-N 3.24Å |
| 316 | H | 84.6 | Confident | 83.1 | Confident | 124 Ų | 124 | 87.9 Ų | 87.9 | 57% | 0.574 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -62.8 | -51.3 | 175.6 | -163.4 | 92.2 | 0 | 0 | 0 | 111.5 | E312 E313 K314 Q318 M319 E320 | E312-H316 WeakPolarHBondContact O-CB 3.14Å; E312-H316 PolarHBondContact O-N 3.27Å; E313-H316 PolarHBondContact O-N 3.13Å; K314-H316 VanDerWaalsContact C-N 3.34Å; H316-Q318 VanDerWaalsContact C-N 3.25Å; H316-Q318 PolarHBondContact O-N 3.05Å; H316-M319 PolarHBondContact O-N 2.96Å; H316-E320 WeakPolarHBondContact O-CB 3.31Å; H316-E320 PolarHBondContact O-N 3.12Å |
| 317 | K | 81.3 | Confident | 83.2 | Confident | 74 Ų | 74 | 91.1 Ų | 91.1 | 32% | 0.322 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -53.7 | -40.6 | 172.5 | -73.5 | 174.1 | 175.6 | -177.5 | 0 | 112.3 | E96 E186 E313 K314 R321 | E96-K317 IonicContact OE2-NZ 2.77Å; E96-K317 PolarHBondContact OE2-NZ 2.88Å; E186-K317 VanDerWaalsContact CD-NZ 3.26Å; E186-K317 IonicContact OE1-NZ 3.42Å; E186-K317 PolarHBondContact OE1-NZ 2.98Å; E186-K317 IonicContact OE2-NZ 2.65Å; E186-K317 PolarHBondContact OE2-NZ 3.19Å; E313-K317 WeakPolarHBondContact O-CG 3.28Å; E313-K317 PolarHBondContact O-N 3.25Å; K314-K317 PolarHBondContact O-N 2.93Å; K317-R321 WeakPolarHBondContact O-CB 3.32Å; K317-R321 PolarHBondContact O-N 3.39Å |
| 318 | Q | 80.4 | Confident | 83.3 | Confident | 89 Ų | 89 | 95.5 Ų | 95.5 | 42% | 0.416 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -69 | -43 | 178.9 | -77.4 | 178.4 | -16.5 | 0 | 0 | 112.4 | L184 K314 H315 H316 R321 A322 | L184-Q318 HydrophobicContact CD1-CG 4.43Å; K314-Q318 WeakPolarHBondContact O-CB 3.35Å; K314-Q318 VanDerWaalsContact O-CG 3.3Å; K314-Q318 WeakPolarHBondContact O-CG 3.25Å; K314-Q318 PolarHBondContact O-N 3.15Å; H315-Q318 PolarHBondContact O-N 3.33Å; H316-Q318 VanDerWaalsContact C-N 3.25Å; H316-Q318 PolarHBondContact O-N 3.05Å; Q318-R321 PolarHBondContact O-N 3.44Å; Q318-A322 WeakPolarHBondContact O-CB 3.45Å; Q318-A322 PolarHBondContact O-N 3.23Å |
| 319 | M | 83.1 | Confident | 83.3 | Confident | 88 Ų | 88 | 98.4 Ų | 98.4 | 43% | 0.433 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.1 | -41.8 | 174.8 | -71.7 | -154.9 | -60.1 | 0 | 0 | 112.1 | H315 H316 A322 Q323 | H315-M319 VanDerWaalsContact CE1-SD 3.54Å; H315-M319 WeakPolarHBondContact O-CG 3.3Å; H315-M319 PolarHBondContact O-N 3.24Å; H316-M319 PolarHBondContact O-N 2.96Å; M319-A322 PolarHBondContact O-N 3.4Å; M319-Q323 VanDerWaalsContact O-CG 3.31Å; M319-Q323 WeakPolarHBondContact O-CG 3.43Å; M319-Q323 PolarHBondContact O-N 2.82Å |
| 320 | E | 84.3 | Confident | 83.5 | Confident | 108 Ų | 108 | 101.3 Ų | 101.3 | 51% | 0.505 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.2 | -48.7 | 174.7 | -173.1 | -174.9 | -174.9 | 0 | 0 | 111.1 | H316 A322 Q323 L324 | H316-E320 WeakPolarHBondContact O-CB 3.31Å; H316-E320 PolarHBondContact O-N 3.12Å; E320-A322 VanDerWaalsContact C-N 3.33Å; E320-A322 PolarHBondContact O-N 3.12Å; E320-Q323 PolarHBondContact O-N 3.37Å; E320-L324 HydrophobicContact CG-CD1 4.22Å; E320-L324 WeakPolarHBondContact O-CG 3.34Å; E320-L324 PolarHBondContact O-N 2.74Å |
| 321 | R | 77.4 | Confident | 83.7 | Confident | 91 Ų | 91 | 108.2 Ų | 108.2 | 34% | 0.343 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.2 | -40.5 | 175.8 | -167.8 | -179.5 | -172.9 | -159.4 | 4.7 | 112.1 | D137 G182 K317 Q318 L324 E325 | D137-R321 IonicContact OD2-NH2 2.7Å; D137-R321 PolarHBondContact OD2-NH2 3.42Å; G182-R321 PolarHBondContact O-NH1 3.36Å; K317-R321 WeakPolarHBondContact O-CB 3.32Å; K317-R321 PolarHBondContact O-N 3.39Å; Q318-R321 PolarHBondContact O-N 3.44Å; R321-L324 PolarHBondContact O-N 2.86Å; R321-E325 WeakPolarHBondContact O-CB 3.49Å; R321-E325 PolarHBondContact O-N 3.03Å |
| 322 | A | 83.2 | Confident | 83.9 | Confident | 59 Ų | 59 | 104 Ų | 104 | 49% | 0.488 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.6 | -36.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q318 M319 E320 N326 | Q318-A322 WeakPolarHBondContact O-CB 3.45Å; Q318-A322 PolarHBondContact O-N 3.23Å; M319-A322 PolarHBondContact O-N 3.4Å; E320-A322 VanDerWaalsContact C-N 3.33Å; E320-A322 PolarHBondContact O-N 3.12Å; A322-N326 VanDerWaalsContact O-CB 3.24Å; A322-N326 WeakPolarHBondContact O-CB 3.43Å; A322-N326 PolarHBondContact O-N 3.47Å |
| 323 | Q | 85.8 | Confident | 84.1 | Confident | 132 Ų | 132 | 102.8 Ų | 102.8 | 62% | 0.617 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -65.3 | -47.8 | 172.4 | -72.5 | 174.7 | 15.8 | 0 | 0 | 111.2 | M319 E320 E325 N326 E327 | M319-Q323 VanDerWaalsContact O-CG 3.31Å; M319-Q323 WeakPolarHBondContact O-CG 3.43Å; M319-Q323 PolarHBondContact O-N 2.82Å; E320-Q323 PolarHBondContact O-N 3.37Å; Q323-E325 VanDerWaalsContact C-N 3.34Å; Q323-E325 PolarHBondContact O-N 2.71Å; Q323-N326 PolarHBondContact O-N 2.89Å; Q323-E327 WeakPolarHBondContact O-CB 3.33Å; Q323-E327 PolarHBondContact O-N 2.96Å |
| 324 | L | 83.6 | Confident | 84.5 | Confident | 100 Ų | 100 | 101 Ų | 101 | 52% | 0.524 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62 | -38.2 | 176.9 | -70.5 | 169 | 0 | 0 | 0 | 112.6 | E320 R321 K328 | E320-L324 HydrophobicContact CG-CD1 4.22Å; E320-L324 WeakPolarHBondContact O-CG 3.34Å; E320-L324 PolarHBondContact O-N 2.74Å; R321-L324 PolarHBondContact O-N 2.86Å; L324-K328 WeakPolarHBondContact O-CB 3.48Å; L324-K328 PolarHBondContact O-N 2.82Å |
| 325 | E | 82.9 | Confident | 84.9 | Confident | 95 Ų | 95 | 103.7 Ų | 103.7 | 44% | 0.444 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.9 | -39.8 | 176.2 | -164.5 | -170.5 | 137.7 | 0 | 0 | 111.9 | R321 Q323 K328 K329 | R321-E325 WeakPolarHBondContact O-CB 3.49Å; R321-E325 PolarHBondContact O-N 3.03Å; Q323-E325 VanDerWaalsContact C-N 3.34Å; Q323-E325 PolarHBondContact O-N 2.71Å; E325-K328 PolarHBondContact O-N 2.84Å; E325-K329 HydrophobicContact CG-CD 4.45Å; E325-K329 WeakPolarHBondContact O-CB 3.46Å; E325-K329 WeakPolarHBondContact O-CG 3.49Å; E325-K329 PolarHBondContact O-N 3.04Å; E325-K329 VanDerWaalsContact OE1-CE 3.25Å; E325-K329 WeakPolarHBondContact OE1-CE 3.31Å; E325-K329 IonicContact OE1-NZ 2.67Å; E325-K329 PolarHBondContact OE1-NZ 3.39Å |
| 326 | N | 85.3 | Confident | 85.3 | Confident | 84 Ų | 84 | 104.1 Ų | 104.1 | 45% | 0.449 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.5 | -41.9 | 173.6 | -170.8 | -2.8 | 0 | 0 | 0 | 111.2 | A322 Q323 K329 K330 | A322-N326 VanDerWaalsContact O-CB 3.24Å; A322-N326 WeakPolarHBondContact O-CB 3.43Å; A322-N326 PolarHBondContact O-N 3.47Å; Q323-N326 PolarHBondContact O-N 2.89Å; N326-K329 PolarHBondContact O-N 3.34Å; N326-K330 WeakPolarHBondContact O-CB 3.46Å; N326-K330 WeakPolarHBondContact O-CG 3.35Å; N326-K330 PolarHBondContact O-N 2.97Å; N326-K330 VanDerWaalsContact OD1-CE 3.26Å; N326-K330 WeakPolarHBondContact OD1-CE 3.48Å |
| 327 | E | 85.4 | Confident | 85.5 | Confident | 83 Ų | 83 | 102.1 Ų | 102.1 | 39% | 0.388 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.8 | -45 | 173.8 | -157.9 | -156.3 | 143.9 | 0 | 0 | 111.4 | Q323 K329 K330 R331 | Q323-E327 WeakPolarHBondContact O-CB 3.33Å; Q323-E327 PolarHBondContact O-N 2.96Å; E327-K329 PolarHBondContact O-N 2.79Å; E327-K330 PolarHBondContact O-N 2.89Å; E327-R331 WeakPolarHBondContact O-CG 3.5Å; E327-R331 PolarHBondContact O-N 2.95Å; E327-R331 IonicContact OE1-CZ 2.69Å; E327-R331 IonicContact OE1-NE 3.34Å; E327-R331 PolarHBondContact OE1-NE 2.77Å; E327-R331 IonicContact OE1-NH2 3.82Å; E327-R331 PolarHBondContact OE1-NH2 3.18Å |
| 328 | K | 86.4 | Confident | 86 | Confident | 146 Ų | 146 | 103.9 Ų | 103.9 | 64% | 0.635 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -58.8 | -45.3 | 175.5 | -175.1 | 177 | 177.8 | -179.2 | 0 | 111.8 | L324 E325 K330 R331 E332 | L324-K328 WeakPolarHBondContact O-CB 3.48Å; L324-K328 PolarHBondContact O-N 2.82Å; E325-K328 PolarHBondContact O-N 2.84Å; K328-K330 PolarHBondContact O-N 3.48Å; K328-R331 PolarHBondContact O-N 2.93Å; K328-E332 WeakPolarHBondContact O-CB 3.48Å; K328-E332 PolarHBondContact O-N 2.68Å |
| 329 | K | 85.7 | Confident | 86.5 | Confident | 109 Ų | 109 | 102.7 Ų | 102.7 | 47% | 0.474 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.8 | -40.5 | 175.3 | -76.1 | 167.2 | 172.1 | 170.1 | 0 | 112.1 | E325 N326 E327 E332 L333 | E325-K329 HydrophobicContact CG-CD 4.45Å; E325-K329 WeakPolarHBondContact O-CB 3.46Å; E325-K329 WeakPolarHBondContact O-CG 3.49Å; E325-K329 PolarHBondContact O-N 3.04Å; E325-K329 VanDerWaalsContact OE1-CE 3.25Å; E325-K329 WeakPolarHBondContact OE1-CE 3.31Å; E325-K329 IonicContact OE1-NZ 2.67Å; E325-K329 PolarHBondContact OE1-NZ 3.39Å; N326-K329 PolarHBondContact O-N 3.34Å; E327-K329 PolarHBondContact O-N 2.79Å; K329-E332 PolarHBondContact O-N 2.84Å; K329-L333 WeakPolarHBondContact O-CB 3.4Å; K329-L333 VanDerWaalsContact O-CG 3.28Å; K329-L333 WeakPolarHBondContact O-CG 3.16Å; K329-L333 PolarHBondContact O-N 3.45Å |
| 330 | K | 88.1 | Confident | 86.9 | Confident | 131 Ų | 131 | 103.5 Ų | 103.5 | 57% | 0.57 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.5 | -41.5 | 174.5 | -75.1 | 171.6 | 177.1 | 177.7 | 0 | 112.4 | N326 E327 K328 L333 A334 | N326-K330 WeakPolarHBondContact O-CB 3.46Å; N326-K330 WeakPolarHBondContact O-CG 3.35Å; N326-K330 PolarHBondContact O-N 2.97Å; N326-K330 VanDerWaalsContact OD1-CE 3.26Å; N326-K330 WeakPolarHBondContact OD1-CE 3.48Å; E327-K330 PolarHBondContact O-N 2.89Å; K328-K330 PolarHBondContact O-N 3.48Å; K330-L333 PolarHBondContact O-N 3.36Å; K330-A334 WeakPolarHBondContact O-CB 3.4Å; K330-A334 PolarHBondContact O-N 2.92Å |
| 331 | R | 85.8 | Confident | 87.3 | Confident | 168 Ų | 168 | 102.5 Ų | 102.5 | 63% | 0.634 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.1 | -47.4 | 173.7 | -70.1 | -179.5 | -176.3 | -144.5 | 8.2 | 111.4 | E327 K328 L333 A334 E335 | E327-R331 WeakPolarHBondContact O-CG 3.5Å; E327-R331 PolarHBondContact O-N 2.95Å; E327-R331 IonicContact OE1-CZ 2.69Å; E327-R331 IonicContact OE1-NE 3.34Å; E327-R331 PolarHBondContact OE1-NE 2.77Å; E327-R331 IonicContact OE1-NH2 3.82Å; E327-R331 PolarHBondContact OE1-NH2 3.18Å; K328-R331 PolarHBondContact O-N 2.93Å; R331-L333 VanDerWaalsContact C-N 3.32Å; R331-L333 PolarHBondContact O-N 3.49Å; R331-A334 PolarHBondContact O-N 3.4Å; R331-E335 WeakPolarHBondContact O-CB 3.35Å; R331-E335 PolarHBondContact O-N 3.22Å |
| 332 | E | 88 | Confident | 88 | Confident | 87 Ų | 87 | 102.2 Ų | 102.2 | 41% | 0.407 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.4 | -36 | 178.2 | -171.2 | -172.7 | 150.3 | 0 | 0 | 112.7 | K328 K329 K336 | K328-E332 WeakPolarHBondContact O-CB 3.48Å; K328-E332 PolarHBondContact O-N 2.68Å; K329-E332 PolarHBondContact O-N 2.84Å; E332-K336 VanDerWaalsContact O-CG 3.32Å; E332-K336 WeakPolarHBondContact O-CG 3.44Å; E332-K336 PolarHBondContact O-N 3.32Å; E332-K336 VanDerWaalsContact O-N 3.14Å; E332-K336 WeakPolarHBondContact OE1-CE 3.01Å; E332-K336 IonicContact OE1-NZ 2.76Å; E332-K336 PolarHBondContact OE1-NZ 2.87Å |
| 333 | L | 89.8 | Confident | 88.4 | Confident | 117 Ų | 117 | 106.4 Ų | 106.4 | 61% | 0.613 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -70.2 | -42.2 | 173.2 | -73.2 | 169.2 | 0 | 0 | 0 | 112.1 | K329 K330 R331 E335 K336 E337 | K329-L333 WeakPolarHBondContact O-CB 3.4Å; K329-L333 VanDerWaalsContact O-CG 3.28Å; K329-L333 WeakPolarHBondContact O-CG 3.16Å; K329-L333 PolarHBondContact O-N 3.45Å; K330-L333 PolarHBondContact O-N 3.36Å; R331-L333 VanDerWaalsContact C-N 3.32Å; R331-L333 PolarHBondContact O-N 3.49Å; L333-E335 VanDerWaalsContact C-N 3.32Å; L333-E335 PolarHBondContact O-N 3.33Å; L333-K336 PolarHBondContact O-N 2.95Å; L333-E337 WeakPolarHBondContact O-CB 3.32Å; L333-E337 PolarHBondContact O-N 2.99Å |
| 334 | A | 89.4 | Confident | 88.7 | Confident | 64 Ų | 64 | 104.3 Ų | 104.3 | 53% | 0.529 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.2 | -34.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | K330 R331 K338 | K330-A334 WeakPolarHBondContact O-CB 3.4Å; K330-A334 PolarHBondContact O-N 2.92Å; R331-A334 PolarHBondContact O-N 3.4Å; A334-K338 WeakPolarHBondContact O-CB 3.37Å; A334-K338 PolarHBondContact O-N 3.19Å |
| 335 | E | 89.1 | Confident | 89.2 | Confident | 124 Ų | 124 | 105 Ų | 105 | 58% | 0.579 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.8 | -50 | 173.1 | -171.5 | 165.8 | -141.5 | 0 | 0 | 110.8 | R331 L333 E337 K338 D339 | R331-E335 WeakPolarHBondContact O-CB 3.35Å; R331-E335 PolarHBondContact O-N 3.22Å; L333-E335 VanDerWaalsContact C-N 3.32Å; L333-E335 PolarHBondContact O-N 3.33Å; E335-E337 VanDerWaalsContact C-N 3.31Å; E335-E337 PolarHBondContact O-N 3.24Å; E335-K338 WeakPolarHBondContact O-CB 3.47Å; E335-K338 PolarHBondContact O-N 2.64Å; E335-D339 WeakPolarHBondContact O-CB 3.19Å; E335-D339 VanDerWaalsContact O-CG 3.23Å; E335-D339 PolarHBondContact O-N 2.8Å |
| 336 | K | 90.8 | Very high | 89.6 | Confident | 114 Ų | 114 | 106 Ų | 106 | 50% | 0.496 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.3 | -33.3 | 175.5 | -70.2 | 169.9 | -170.5 | 171.7 | 0 | 113.7 | E332 L333 R340 | E332-K336 VanDerWaalsContact O-CG 3.32Å; E332-K336 WeakPolarHBondContact O-CG 3.44Å; E332-K336 PolarHBondContact O-N 3.32Å; E332-K336 VanDerWaalsContact O-N 3.14Å; E332-K336 WeakPolarHBondContact OE1-CE 3.01Å; E332-K336 IonicContact OE1-NZ 2.76Å; E332-K336 PolarHBondContact OE1-NZ 2.87Å; L333-K336 PolarHBondContact O-N 2.95Å; K336-R340 PolarHBondContact O-N 2.99Å; K336-R340 VanDerWaalsContact O-N 3.08Å |
| 337 | E | 89.9 | Confident | 89.9 | Confident | 82 Ų | 82 | 107.3 Ų | 107.3 | 38% | 0.383 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.7 | -48.1 | 174.1 | -174.7 | 63.6 | -155.1 | 0 | 0 | 110.9 | L333 E335 D339 R340 I341 | L333-E337 WeakPolarHBondContact O-CB 3.32Å; L333-E337 PolarHBondContact O-N 2.99Å; E335-E337 VanDerWaalsContact C-N 3.31Å; E335-E337 PolarHBondContact O-N 3.24Å; E337-D339 VanDerWaalsContact C-N 3.31Å; E337-D339 PolarHBondContact O-N 3.13Å; E337-R340 VanDerWaalsContact CD-NH1 3.3Å; E337-R340 WeakPolarHBondContact O-CB 3.44Å; E337-R340 PolarHBondContact O-N 3.16Å; E337-R340 VanDerWaalsContact O-N 3.07Å; E337-R340 IonicContact OE1-CZ 3.72Å; E337-R340 IonicContact OE1-NH1 3.26Å; E337-R340 PolarHBondContact OE1-NH1 2.97Å; E337-R340 IonicContact OE1-NH2 2.71Å; E337-R340 PolarHBondContact OE1-NH2 3.45Å; E337-R340 IonicContact OE2-CZ 2.79Å; E337-R340 IonicContact OE2-NH1 2.86Å; E337-R340 PolarHBondContact OE2-NH1 3.2Å; E337-R340 IonicContact OE2-NH2 3.28Å; E337-I341 HydrophobicContact CG-CD1 4.06Å; E337-I341 WeakPolarHBondContact O-CG1 3.24Å; E337-I341 PolarHBondContact O-N 3.12Å |
| 338 | K | 91.6 | Very high | 90.3 | Very high | 110 Ų | 110 | 108.3 Ų | 108.3 | 48% | 0.478 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -55.7 | -47.6 | 172.9 | 177.5 | -167.2 | 154.3 | -65 | 0 | 110.7 | A334 E335 R340 I341 E342 | A334-K338 WeakPolarHBondContact O-CB 3.37Å; A334-K338 PolarHBondContact O-N 3.19Å; E335-K338 WeakPolarHBondContact O-CB 3.47Å; E335-K338 PolarHBondContact O-N 2.64Å; K338-R340 PolarHBondContact O-N 3Å; K338-I341 PolarHBondContact O-N 2.65Å; K338-E342 IonicContact NZ-OE2 3.95Å; K338-E342 PolarHBondContact NZ-OE2 3.36Å; K338-E342 VanDerWaalsContact O-CB 3.32Å; K338-E342 WeakPolarHBondContact O-CB 3.35Å; K338-E342 PolarHBondContact O-N 3.44Å |
| 339 | D | 90.8 | Very high | 90.6 | Very high | 65 Ų | 65 | 105.2 Ų | 105.2 | 35% | 0.348 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67 | -19.9 | 180 | -67.4 | -6.5 | 0 | 0 | 0 | 112.8 | E335 E337 R343 | E335-D339 WeakPolarHBondContact O-CB 3.19Å; E335-D339 VanDerWaalsContact O-CG 3.23Å; E335-D339 PolarHBondContact O-N 2.8Å; E337-D339 VanDerWaalsContact C-N 3.31Å; E337-D339 PolarHBondContact O-N 3.13Å; D339-R343 PolarHBondContact O-NE 3.03Å; D339-R343 PolarHBondContact O-NH2 3.07Å; D339-R343 VanDerWaalsContact O-NH2 3.12Å |
| 340 | R | 92.3 | Very high | 90.9 | Very high | 104 Ų | 104 | 103.8 Ų | 103.8 | 39% | 0.392 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -78.7 | -49.8 | 169.3 | -158.1 | -173.4 | 72.5 | -109.8 | -12.7 | 110.8 | K336 E337 K338 E342 R343 E344 | K336-R340 PolarHBondContact O-N 2.99Å; K336-R340 VanDerWaalsContact O-N 3.08Å; E337-R340 VanDerWaalsContact CD-NH1 3.3Å; E337-R340 WeakPolarHBondContact O-CB 3.44Å; E337-R340 PolarHBondContact O-N 3.16Å; E337-R340 VanDerWaalsContact O-N 3.07Å; E337-R340 IonicContact OE1-CZ 3.72Å; E337-R340 IonicContact OE1-NH1 3.26Å; E337-R340 PolarHBondContact OE1-NH1 2.97Å; E337-R340 IonicContact OE1-NH2 2.71Å; E337-R340 PolarHBondContact OE1-NH2 3.45Å; E337-R340 IonicContact OE2-CZ 2.79Å; E337-R340 IonicContact OE2-NH1 2.86Å; E337-R340 PolarHBondContact OE2-NH1 3.2Å; E337-R340 IonicContact OE2-NH2 3.28Å; K338-R340 PolarHBondContact O-N 3Å; R340-E342 VanDerWaalsContact C-N 3.25Å; R340-E342 PolarHBondContact O-N 3.02Å; R340-R343 PolarHBondContact O-N 3.02Å; R340-E344 WeakPolarHBondContact CD-OE1 3.2Å; R340-E344 WeakPolarHBondContact CG-OE1 3.4Å; R340-E344 IonicContact CZ-OE1 2.64Å; R340-E344 IonicContact NE-OE1 3.9Å; R340-E344 PolarHBondContact NE-OE1 3.25Å; R340-E344 IonicContact NH2-OE1 3.24Å; R340-E344 WeakPolarHBondContact O-CG 3.28Å; R340-E344 PolarHBondContact O-N 3.28Å |
| 341 | I | 92.4 | Very high | 91.1 | Very high | 88 Ų | 88 | 104.2 Ų | 104.2 | 45% | 0.451 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.3 | -36.4 | 178 | -65.7 | 166.9 | 0 | 0 | 0 | 111.4 | E337 K338 E344 K345 | E337-I341 HydrophobicContact CG-CD1 4.06Å; E337-I341 WeakPolarHBondContact O-CG1 3.24Å; E337-I341 PolarHBondContact O-N 3.12Å; K338-I341 PolarHBondContact O-N 2.65Å; I341-E344 PolarHBondContact O-N 3.11Å; I341-K345 WeakPolarHBondContact O-CB 3.34Å; I341-K345 PolarHBondContact O-N 3.11Å |
| 342 | E | 90.9 | Very high | 91.3 | Very high | 84 Ų | 84 | 101 Ų | 101 | 39% | 0.393 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.1 | -41.6 | 178.2 | -167.6 | 141 | -129.7 | 0 | 0 | 111.9 | K338 R340 K345 E346 | K338-E342 IonicContact NZ-OE2 3.95Å; K338-E342 PolarHBondContact NZ-OE2 3.36Å; K338-E342 VanDerWaalsContact O-CB 3.32Å; K338-E342 WeakPolarHBondContact O-CB 3.35Å; K338-E342 PolarHBondContact O-N 3.44Å; R340-E342 VanDerWaalsContact C-N 3.25Å; R340-E342 PolarHBondContact O-N 3.02Å; E342-K345 WeakPolarHBondContact O-CB 3.38Å; E342-K345 PolarHBondContact O-N 3.2Å; E342-E346 WeakPolarHBondContact O-CG 3.45Å; E342-E346 PolarHBondContact O-N 2.75Å |
| 343 | R | 92.6 | Very high | 91.5 | Very high | 147 Ų | 147 | 104.1 Ų | 104.1 | 56% | 0.555 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -69.6 | -42.8 | 173 | -77.1 | 175.1 | -72.8 | 160 | -0.9 | 113 | D339 R340 K345 E346 E347 | D339-R343 PolarHBondContact O-NE 3.03Å; D339-R343 PolarHBondContact O-NH2 3.07Å; D339-R343 VanDerWaalsContact O-NH2 3.12Å; R340-R343 PolarHBondContact O-N 3.02Å; R343-K345 PolarHBondContact O-N 3.13Å; R343-E346 PolarHBondContact O-N 3.21Å; R343-E346 VanDerWaalsContact O-N 3.15Å; R343-E347 PolarHBondContact O-N 3.23Å |
| 344 | E | 92.6 | Very high | 91.6 | Very high | 89 Ų | 89 | 103 Ų | 103 | 42% | 0.416 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -58.8 | -39 | 174.4 | -72.1 | 171.6 | -160.3 | 0 | 0 | 111.1 | R340 I341 L348 | R340-E344 WeakPolarHBondContact CD-OE1 3.2Å; R340-E344 WeakPolarHBondContact CG-OE1 3.4Å; R340-E344 IonicContact CZ-OE1 2.64Å; R340-E344 IonicContact NE-OE1 3.9Å; R340-E344 PolarHBondContact NE-OE1 3.25Å; R340-E344 IonicContact NH2-OE1 3.24Å; R340-E344 WeakPolarHBondContact O-CG 3.28Å; R340-E344 PolarHBondContact O-N 3.28Å; I341-E344 PolarHBondContact O-N 3.11Å; E344-L348 WeakPolarHBondContact O-CB 3.42Å; E344-L348 VanDerWaalsContact O-CG 3.3Å; E344-L348 WeakPolarHBondContact O-CG 3.5Å; E344-L348 PolarHBondContact O-N 3.3Å |
| 345 | K | 92.7 | Very high | 91.7 | Very high | 113 Ų | 113 | 104.4 Ų | 104.4 | 49% | 0.491 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.7 | -41.8 | 173.5 | 179.2 | -163 | 168.7 | -162.6 | 0 | 112.3 | I341 E342 R343 L348 M349 | I341-K345 WeakPolarHBondContact O-CB 3.34Å; I341-K345 PolarHBondContact O-N 3.11Å; E342-K345 WeakPolarHBondContact O-CB 3.38Å; E342-K345 PolarHBondContact O-N 3.2Å; R343-K345 PolarHBondContact O-N 3.13Å; K345-L348 PolarHBondContact O-N 2.77Å; K345-M349 HydrophobicContact CD-CE 4.46Å; K345-M349 HydrophobicContact CG-CE 4.15Å; K345-M349 HydrophobicContact CG-CG 4.49Å; K345-M349 HydrophobicContact CG-SD 4.35Å; K345-M349 WeakPolarHBondContact O-CB 3.39Å; K345-M349 VanDerWaalsContact O-CG 3.31Å; K345-M349 WeakPolarHBondContact O-CG 3.13Å; K345-M349 PolarHBondContact O-N 2.69Å |
| 346 | E | 91.7 | Very high | 91.7 | Very high | 118 Ų | 118 | 104.9 Ų | 104.9 | 55% | 0.551 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -61.5 | -45.7 | 175.2 | -76 | -178.8 | 154.6 | 0 | 0 | 111.9 | E342 R343 L348 M349 E350 | E342-E346 WeakPolarHBondContact O-CG 3.45Å; E342-E346 PolarHBondContact O-N 2.75Å; R343-E346 PolarHBondContact O-N 3.21Å; R343-E346 VanDerWaalsContact O-N 3.15Å; E346-L348 VanDerWaalsContact C-N 3.34Å; E346-L348 PolarHBondContact O-N 3.43Å; E346-M349 HydrophobicContact CG-CE 4.06Å; E346-M349 PolarHBondContact O-N 3.12Å; E346-E350 PolarHBondContact O-N 2.9Å |
| 347 | E | 92.6 | Very high | 91.7 | Very high | 111 Ų | 111 | 104.2 Ų | 104.2 | 52% | 0.519 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59 | -43 | 173.2 | -76.3 | -166.7 | -143.4 | 0 | 0 | 112.5 | R343 E350 R351 | R343-E347 PolarHBondContact O-N 3.23Å; E347-E350 PolarHBondContact O-N 3.39Å; E347-R351 VanDerWaalsContact O-CG 3.28Å; E347-R351 WeakPolarHBondContact O-CG 3.25Å; E347-R351 PolarHBondContact O-N 3.27Å; E347-R351 IonicContact OE2-CZ 3.17Å; E347-R351 IonicContact OE2-NH2 2.7Å; E347-R351 PolarHBondContact OE2-NH2 3.32Å |
| 348 | L | 93.6 | Very high | 91.7 | Very high | 103 Ų | 103 | 106.5 Ų | 106.5 | 54% | 0.539 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.5 | -41.5 | 178.3 | -77.1 | 167.3 | 0 | 0 | 0 | 112.4 | E344 K345 E346 E350 R351 L352 | E344-L348 WeakPolarHBondContact O-CB 3.42Å; E344-L348 VanDerWaalsContact O-CG 3.3Å; E344-L348 WeakPolarHBondContact O-CG 3.5Å; E344-L348 PolarHBondContact O-N 3.3Å; K345-L348 PolarHBondContact O-N 2.77Å; E346-L348 VanDerWaalsContact C-N 3.34Å; E346-L348 PolarHBondContact O-N 3.43Å; L348-E350 VanDerWaalsContact C-N 3.31Å; L348-E350 PolarHBondContact O-N 3.39Å; L348-R351 PolarHBondContact O-N 2.85Å; L348-L352 WeakPolarHBondContact O-CB 3.38Å; L348-L352 VanDerWaalsContact O-CG 3.3Å; L348-L352 WeakPolarHBondContact O-CG 3.05Å; L348-L352 PolarHBondContact O-N 3.39Å |
| 349 | M | 91.2 | Very high | 91.4 | Very high | 81 Ų | 81 | 105 Ų | 105 | 40% | 0.399 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63 | -38.2 | 175.6 | -72.9 | -174.9 | -56.3 | 0 | 0 | 111.8 | K345 E346 L352 R353 | K345-M349 HydrophobicContact CD-CE 4.46Å; K345-M349 HydrophobicContact CG-CE 4.15Å; K345-M349 HydrophobicContact CG-CG 4.49Å; K345-M349 HydrophobicContact CG-SD 4.35Å; K345-M349 WeakPolarHBondContact O-CB 3.39Å; K345-M349 VanDerWaalsContact O-CG 3.31Å; K345-M349 WeakPolarHBondContact O-CG 3.13Å; K345-M349 PolarHBondContact O-N 2.69Å; E346-M349 HydrophobicContact CG-CE 4.06Å; E346-M349 PolarHBondContact O-N 3.12Å; M349-L352 PolarHBondContact O-N 3.38Å; M349-R353 WeakPolarHBondContact O-CG 3.4Å; M349-R353 PolarHBondContact O-N 2.6Å |
| 350 | E | 92.3 | Very high | 91.4 | Very high | 79 Ų | 79 | 106.4 Ų | 106.4 | 37% | 0.369 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -73 | -38.2 | 178.7 | -171.4 | 50.3 | -144.2 | 0 | 0 | 112.2 | E346 E347 L348 L352 R353 Q354 | E346-E350 PolarHBondContact O-N 2.9Å; E347-E350 PolarHBondContact O-N 3.39Å; L348-E350 VanDerWaalsContact C-N 3.31Å; L348-E350 PolarHBondContact O-N 3.39Å; E350-L352 VanDerWaalsContact C-N 3.34Å; E350-L352 PolarHBondContact O-N 3.02Å; E350-R353 PolarHBondContact O-N 3.03Å; E350-R353 WeakPolarHBondContact OE2-CD 3.37Å; E350-R353 IonicContact OE2-CZ 2.71Å; E350-R353 IonicContact OE2-NH1 3.55Å; E350-R353 PolarHBondContact OE2-NH1 3.45Å; E350-Q354 WeakPolarHBondContact O-CG 3.4Å; E350-Q354 PolarHBondContact O-N 3.02Å; E350-Q354 VanDerWaalsContact O-N 3.08Å; E350-Q354 PolarHBondContact OE1-NE2 2.87Å |
| 351 | R | 92.7 | Very high | 91.3 | Very high | 141 Ų | 141 | 106.3 Ų | 106.3 | 53% | 0.532 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.2 | -39.9 | 169.9 | -68.7 | 174.2 | -157.5 | -168.4 | 9.2 | 112.1 | E347 L348 Q354 I355 | E347-R351 VanDerWaalsContact O-CG 3.28Å; E347-R351 WeakPolarHBondContact O-CG 3.25Å; E347-R351 PolarHBondContact O-N 3.27Å; E347-R351 IonicContact OE2-CZ 3.17Å; E347-R351 IonicContact OE2-NH2 2.7Å; E347-R351 PolarHBondContact OE2-NH2 3.32Å; L348-R351 PolarHBondContact O-N 2.85Å; R351-Q354 PolarHBondContact O-N 3.32Å; R351-I355 WeakPolarHBondContact O-CG1 3.42Å; R351-I355 PolarHBondContact O-N 3.49Å |
| 352 | L | 89.9 | Confident | 91.1 | Very high | 101 Ų | 101 | 104.8 Ų | 104.8 | 53% | 0.529 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.1 | -46.1 | 175.6 | -76.7 | 169.2 | 0 | 0 | 0 | 111.6 | L348 M349 E350 Q354 I355 E356 | L348-L352 WeakPolarHBondContact O-CB 3.38Å; L348-L352 VanDerWaalsContact O-CG 3.3Å; L348-L352 WeakPolarHBondContact O-CG 3.05Å; L348-L352 PolarHBondContact O-N 3.39Å; M349-L352 PolarHBondContact O-N 3.38Å; E350-L352 VanDerWaalsContact C-N 3.34Å; E350-L352 PolarHBondContact O-N 3.02Å; L352-Q354 VanDerWaalsContact C-N 3.31Å; L352-Q354 PolarHBondContact O-N 2.74Å; L352-I355 PolarHBondContact O-N 2.82Å; L352-I355 VanDerWaalsContact O-N 3.14Å; L352-E356 WeakPolarHBondContact O-CG 3.5Å; L352-E356 PolarHBondContact O-N 3.01Å |
| 353 | R | 92.4 | Very high | 90.9 | Very high | 152 Ų | 152 | 105.9 Ų | 105.9 | 57% | 0.574 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -57.2 | -42.3 | 174.3 | -74.8 | 169.5 | 174.2 | 168.8 | -2 | 112.9 | M349 E350 I355 E356 E357 | M349-R353 WeakPolarHBondContact O-CG 3.4Å; M349-R353 PolarHBondContact O-N 2.6Å; E350-R353 PolarHBondContact O-N 3.03Å; E350-R353 WeakPolarHBondContact OE2-CD 3.37Å; E350-R353 IonicContact OE2-CZ 2.71Å; E350-R353 IonicContact OE2-NH1 3.55Å; E350-R353 PolarHBondContact OE2-NH1 3.45Å; R353-I355 VanDerWaalsContact C-N 3.32Å; R353-I355 PolarHBondContact O-N 3.3Å; R353-E356 PolarHBondContact O-N 2.81Å; R353-E357 WeakPolarHBondContact O-CB 3.17Å; R353-E357 PolarHBondContact O-N 2.87Å |
| 354 | Q | 92.3 | Very high | 90.7 | Very high | 92 Ų | 92 | 106.5 Ų | 106.5 | 43% | 0.43 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.2 | -37.2 | 178.3 | -69.9 | 168.7 | 20.8 | 0 | 0 | 111.6 | E350 R351 L352 Q358 | E350-Q354 WeakPolarHBondContact O-CG 3.4Å; E350-Q354 PolarHBondContact O-N 3.02Å; E350-Q354 VanDerWaalsContact O-N 3.08Å; E350-Q354 PolarHBondContact OE1-NE2 2.87Å; R351-Q354 PolarHBondContact O-N 3.32Å; L352-Q354 VanDerWaalsContact C-N 3.31Å; L352-Q354 PolarHBondContact O-N 2.74Å; Q354-Q358 WeakPolarHBondContact O-CB 3.5Å; Q354-Q358 WeakPolarHBondContact O-CG 3.47Å; Q354-Q358 PolarHBondContact O-N 3.38Å |
| 355 | I | 92 | Very high | 90.5 | Very high | 95 Ų | 95 | 107.9 Ų | 107.9 | 49% | 0.487 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.8 | -42 | 173.5 | -66.9 | 164.4 | 0 | 0 | 0 | 111.2 | R351 L352 R353 Q358 T359 | R351-I355 WeakPolarHBondContact O-CG1 3.42Å; R351-I355 PolarHBondContact O-N 3.49Å; L352-I355 PolarHBondContact O-N 2.82Å; L352-I355 VanDerWaalsContact O-N 3.14Å; R353-I355 VanDerWaalsContact C-N 3.32Å; R353-I355 PolarHBondContact O-N 3.3Å; I355-Q358 PolarHBondContact O-N 3.44Å; I355-T359 VanDerWaalsContact O-CB 3.28Å; I355-T359 WeakPolarHBondContact O-CB 3.49Å; I355-T359 PolarHBondContact O-N 2.97Å; I355-T359 PolarHBondContact O-OG1 3.25Å |
| 356 | E | 88.3 | Confident | 90.2 | Very high | 133 Ų | 133 | 107.5 Ų | 107.5 | 62% | 0.621 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.7 | -44.1 | 175.1 | -73.9 | 177.8 | 162.8 | 0 | 0 | 111.6 | L352 R353 T359 M360 | L352-E356 WeakPolarHBondContact O-CG 3.5Å; L352-E356 PolarHBondContact O-N 3.01Å; R353-E356 PolarHBondContact O-N 2.81Å; E356-T359 PolarHBondContact O-N 2.82Å; E356-M360 WeakPolarHBondContact O-CB 3.34Å; E356-M360 PolarHBondContact O-N 2.84Å |
| 357 | E | 91 | Very high | 89.9 | Confident | 101 Ų | 101 | 107.2 Ų | 107.2 | 47% | 0.472 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.9 | -42.3 | 177.8 | -160.2 | -161.4 | 155.3 | 0 | 0 | 111.8 | R353 T359 M360 K361 | R353-E357 WeakPolarHBondContact O-CB 3.17Å; R353-E357 PolarHBondContact O-N 2.87Å; E357-T359 VanDerWaalsContact C-N 3.35Å; E357-M360 PolarHBondContact O-N 3.14Å; E357-K361 HydrophobicContact CG-CD 4.4Å; E357-K361 WeakPolarHBondContact O-CB 3.28Å; E357-K361 VanDerWaalsContact O-CG 3.31Å; E357-K361 WeakPolarHBondContact O-CG 3.38Å; E357-K361 PolarHBondContact O-N 3.22Å; E357-K361 WeakPolarHBondContact OE1-CE 3.39Å; E357-K361 IonicContact OE1-NZ 3.67Å; E357-K361 PolarHBondContact OE1-NZ 3.43Å |
| 358 | Q | 89.2 | Confident | 89.8 | Confident | 129 Ų | 129 | 105.3 Ų | 105.3 | 60% | 0.603 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.2 | -42 | 173.3 | -75.4 | 173.4 | 16.3 | 0 | 0 | 111.6 | Q354 I355 K361 A362 | Q354-Q358 WeakPolarHBondContact O-CB 3.5Å; Q354-Q358 WeakPolarHBondContact O-CG 3.47Å; Q354-Q358 PolarHBondContact O-N 3.38Å; I355-Q358 PolarHBondContact O-N 3.44Å; Q358-K361 PolarHBondContact O-N 2.85Å; Q358-A362 WeakPolarHBondContact O-CB 3.37Å; Q358-A362 PolarHBondContact O-N 3.21Å |
| 359 | T | 86.5 | Confident | 89.4 | Confident | 80 Ų | 80 | 106.2 Ų | 106.2 | 49% | 0.491 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.9 | -43.7 | 178.1 | -57 | 0 | 0 | 0 | 0 | 110.9 | I355 E356 E357 K361 A362 Q363 | I355-T359 VanDerWaalsContact O-CB 3.28Å; I355-T359 WeakPolarHBondContact O-CB 3.49Å; I355-T359 PolarHBondContact O-N 2.97Å; I355-T359 PolarHBondContact O-OG1 3.25Å; E356-T359 PolarHBondContact O-N 2.82Å; E357-T359 VanDerWaalsContact C-N 3.35Å; T359-K361 PolarHBondContact O-N 2.67Å; T359-A362 PolarHBondContact O-N 2.92Å; T359-Q363 VanDerWaalsContact O-CB 3.32Å; T359-Q363 WeakPolarHBondContact O-CB 3.21Å; T359-Q363 PolarHBondContact O-N 3.43Å |
| 360 | M | 91.2 | Very high | 89.1 | Confident | 93 Ų | 93 | 105.7 Ų | 105.7 | 46% | 0.458 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.9 | -39 | 175.4 | -168.6 | -154 | -66.2 | 0 | 0 | 112 | E356 E357 R364 | E356-M360 WeakPolarHBondContact O-CB 3.34Å; E356-M360 PolarHBondContact O-N 2.84Å; E357-M360 PolarHBondContact O-N 3.14Å; M360-R364 WeakPolarHBondContact O-CB 3.42Å; M360-R364 VanDerWaalsContact O-CG 3.29Å; M360-R364 WeakPolarHBondContact O-CG 3.46Å; M360-R364 PolarHBondContact O-N 3.42Å; M360-R364 PolarHBondContact SD-NH2 3.07Å |
| 361 | K | 90.3 | Very high | 88.9 | Confident | 103 Ų | 103 | 107.7 Ų | 107.7 | 45% | 0.448 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.4 | -52.7 | 174.1 | -79.5 | 165.7 | 166.2 | 167.9 | 0 | 111.1 | E357 Q358 T359 Q363 R364 E365 | E357-K361 HydrophobicContact CG-CD 4.4Å; E357-K361 WeakPolarHBondContact O-CB 3.28Å; E357-K361 VanDerWaalsContact O-CG 3.31Å; E357-K361 WeakPolarHBondContact O-CG 3.38Å; E357-K361 PolarHBondContact O-N 3.22Å; E357-K361 WeakPolarHBondContact OE1-CE 3.39Å; E357-K361 IonicContact OE1-NZ 3.67Å; E357-K361 PolarHBondContact OE1-NZ 3.43Å; Q358-K361 PolarHBondContact O-N 2.85Å; T359-K361 PolarHBondContact O-N 2.67Å; K361-Q363 VanDerWaalsContact C-N 3.29Å; K361-Q363 PolarHBondContact O-N 3.26Å; K361-R364 PolarHBondContact O-N 3.2Å; K361-R364 VanDerWaalsContact O-N 3.16Å; K361-E365 WeakPolarHBondContact O-CG 3.33Å; K361-E365 PolarHBondContact O-N 3.2Å |
| 362 | A | 88.3 | Confident | 88.7 | Confident | 56 Ų | 56 | 107.2 Ų | 107.2 | 46% | 0.463 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.3 | -38.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q358 T359 E365 L366 | Q358-A362 WeakPolarHBondContact O-CB 3.37Å; Q358-A362 PolarHBondContact O-N 3.21Å; T359-A362 PolarHBondContact O-N 2.92Å; A362-E365 PolarHBondContact O-N 3.43Å; A362-L366 WeakPolarHBondContact O-CB 3.37Å; A362-L366 PolarHBondContact O-N 3.28Å |
| 363 | Q | 86 | Confident | 88.5 | Confident | 107 Ų | 107 | 105 Ų | 105 | 50% | 0.5 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.1 | -43.6 | 175.5 | -175.1 | 177.8 | -22.8 | 0 | 0 | 112 | T359 K361 L366 E367 | T359-Q363 VanDerWaalsContact O-CB 3.32Å; T359-Q363 WeakPolarHBondContact O-CB 3.21Å; T359-Q363 PolarHBondContact O-N 3.43Å; K361-Q363 VanDerWaalsContact C-N 3.29Å; K361-Q363 PolarHBondContact O-N 3.26Å; Q363-L366 PolarHBondContact O-N 3.38Å; Q363-E367 WeakPolarHBondContact CG-OE1 3.3Å; Q363-E367 PolarHBondContact NE2-OE1 2.96Å; Q363-E367 WeakPolarHBondContact O-CB 3.5Å; Q363-E367 WeakPolarHBondContact O-CG 3.46Å; Q363-E367 PolarHBondContact O-N 2.88Å |
| 364 | R | 88.4 | Confident | 88.3 | Confident | 159 Ų | 159 | 102.8 Ų | 102.8 | 60% | 0.6 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.8 | -39.8 | 175 | -74.7 | 171.9 | 175.3 | -177.7 | 0.8 | 112.6 | M360 K361 E367 E368 | M360-R364 WeakPolarHBondContact O-CB 3.42Å; M360-R364 VanDerWaalsContact O-CG 3.29Å; M360-R364 WeakPolarHBondContact O-CG 3.46Å; M360-R364 PolarHBondContact O-N 3.42Å; M360-R364 PolarHBondContact SD-NH2 3.07Å; K361-R364 PolarHBondContact O-N 3.2Å; K361-R364 VanDerWaalsContact O-N 3.16Å; R364-E367 PolarHBondContact O-N 3.37Å; R364-E368 WeakPolarHBondContact O-CB 3.42Å; R364-E368 PolarHBondContact O-N 3.48Å |
| 365 | E | 88.1 | Confident | 88.1 | Confident | 119 Ų | 119 | 102.8 Ų | 102.8 | 56% | 0.556 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.6 | -40.2 | 174.6 | -73.7 | 174.8 | -157.7 | 0 | 0 | 111.4 | K361 A362 E368 Q369 | K361-E365 WeakPolarHBondContact O-CG 3.33Å; K361-E365 PolarHBondContact O-N 3.2Å; A362-E365 PolarHBondContact O-N 3.43Å; E365-E368 PolarHBondContact O-N 3.41Å; E365-Q369 WeakPolarHBondContact O-CB 3.47Å; E365-Q369 WeakPolarHBondContact O-CG 3.31Å; E365-Q369 PolarHBondContact O-N 3.02Å |
| 366 | L | 86.3 | Confident | 87.8 | Confident | 105 Ų | 105 | 103.5 Ų | 103.5 | 55% | 0.55 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.4 | -42.9 | 174.7 | -177.7 | 63.4 | 0 | 0 | 0 | 112.1 | A362 Q363 E368 Q369 T370 | A362-L366 WeakPolarHBondContact O-CB 3.37Å; A362-L366 PolarHBondContact O-N 3.28Å; Q363-L366 PolarHBondContact O-N 3.38Å; L366-E368 VanDerWaalsContact C-N 3.34Å; L366-Q369 PolarHBondContact O-N 2.69Å; L366-T370 VanDerWaalsContact O-CB 3.31Å; L366-T370 WeakPolarHBondContact O-CB 3.37Å; L366-T370 PolarHBondContact O-N 3.25Å; L366-T370 PolarHBondContact O-OG1 3.25Å |
| 367 | E | 86.7 | Confident | 87.5 | Confident | 112 Ų | 112 | 102.9 Ų | 102.9 | 52% | 0.523 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.7 | -42.3 | 173.9 | -75.9 | 170 | -165.8 | 0 | 0 | 111.2 | Q363 R364 T370 R371 | Q363-E367 WeakPolarHBondContact CG-OE1 3.3Å; Q363-E367 PolarHBondContact NE2-OE1 2.96Å; Q363-E367 WeakPolarHBondContact O-CB 3.5Å; Q363-E367 WeakPolarHBondContact O-CG 3.46Å; Q363-E367 PolarHBondContact O-N 2.88Å; R364-E367 PolarHBondContact O-N 3.37Å; E367-T370 PolarHBondContact O-N 3.02Å; E367-R371 PolarHBondContact O-N 2.79Å |
| 368 | E | 88.8 | Confident | 87.3 | Confident | 70 Ų | 70 | 103.8 Ų | 103.8 | 33% | 0.327 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.2 | -42.9 | 175.8 | 179.4 | 163.2 | -146.6 | 0 | 0 | 112.8 | R364 E365 L366 T370 R371 R372 | R364-E368 WeakPolarHBondContact O-CB 3.42Å; R364-E368 PolarHBondContact O-N 3.48Å; E365-E368 PolarHBondContact O-N 3.41Å; L366-E368 VanDerWaalsContact C-N 3.34Å; E368-T370 VanDerWaalsContact C-N 3.28Å; E368-T370 PolarHBondContact O-N 3.06Å; E368-R371 PolarHBondContact O-N 3.48Å; E368-R371 IonicContact OE1-NH2 3.88Å; E368-R371 PolarHBondContact OE1-NH2 2.94Å; E368-R372 HydrophobicContact CG-CG 4.35Å; E368-R372 WeakPolarHBondContact O-CG 3.31Å; E368-R372 PolarHBondContact O-N 2.64Å; E368-R372 IonicContact OE1-CZ 2.97Å; E368-R372 IonicContact OE1-NE 2.79Å; E368-R372 PolarHBondContact OE1-NE 2.68Å; E368-R372 IonicContact OE1-NH2 3.75Å; E368-R372 PolarHBondContact OE1-NH2 2.69Å; E368-R372 IonicContact OE2-CZ 2.74Å; E368-R372 IonicContact OE2-NH2 2.67Å; E368-R372 PolarHBondContact OE2-NH2 3.22Å; E368-R372 VanDerWaalsContact OE2-NH2 3.17Å |
| 369 | Q | 85.2 | Confident | 87.2 | Confident | 123 Ų | 123 | 103.6 Ų | 103.6 | 58% | 0.575 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59.7 | -41.1 | 173.6 | -76.1 | -177.6 | 29.2 | 0 | 0 | 111.2 | E365 L366 R372 A373 | E365-Q369 WeakPolarHBondContact O-CB 3.47Å; E365-Q369 WeakPolarHBondContact O-CG 3.31Å; E365-Q369 PolarHBondContact O-N 3.02Å; L366-Q369 PolarHBondContact O-N 2.69Å; Q369-R372 PolarHBondContact O-N 2.71Å; Q369-A373 WeakPolarHBondContact O-CB 3.28Å; Q369-A373 PolarHBondContact O-N 3.33Å |
| 370 | T | 86.1 | Confident | 86.9 | Confident | 70 Ų | 70 | 108.2 Ų | 108.2 | 43% | 0.429 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.1 | -40.2 | 177.5 | -54.2 | 0 | 0 | 0 | 0 | 111.2 | L366 E367 E368 A373 M374 | L366-T370 VanDerWaalsContact O-CB 3.31Å; L366-T370 WeakPolarHBondContact O-CB 3.37Å; L366-T370 PolarHBondContact O-N 3.25Å; L366-T370 PolarHBondContact O-OG1 3.25Å; E367-T370 PolarHBondContact O-N 3.02Å; E368-T370 VanDerWaalsContact C-N 3.28Å; E368-T370 PolarHBondContact O-N 3.06Å; T370-A373 PolarHBondContact O-N 2.61Å; T370-M374 HydrophobicContact CG2-CE 4.32Å; T370-M374 PolarHBondContact O-N 2.97Å; T370-M374 VanDerWaalsContact O-N 3.07Å |
| 371 | R | 88.4 | Confident | 86.6 | Confident | 121 Ų | 121 | 107.9 Ų | 107.9 | 46% | 0.457 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.4 | -48.7 | 174 | -165.2 | -175.1 | 68.7 | -120.3 | -5.7 | 111.8 | E367 E368 A373 M374 E375 | E367-R371 PolarHBondContact O-N 2.79Å; E368-R371 PolarHBondContact O-N 3.48Å; E368-R371 IonicContact OE1-NH2 3.88Å; E368-R371 PolarHBondContact OE1-NH2 2.94Å; R371-A373 VanDerWaalsContact C-N 3.29Å; R371-A373 PolarHBondContact O-N 2.79Å; R371-M374 PolarHBondContact O-N 3.42Å; R371-E375 WeakPolarHBondContact CG-OE1 3.25Å; R371-E375 IonicContact NE-OE1 2.78Å; R371-E375 PolarHBondContact NE-OE1 3.4Å; R371-E375 WeakPolarHBondContact O-CG 3.41Å; R371-E375 PolarHBondContact O-N 3.41Å |
| 372 | R | 87.7 | Confident | 86.4 | Confident | 130 Ų | 130 | 109 Ų | 109 | 49% | 0.491 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.5 | -35.6 | 177.1 | -68.5 | 177.2 | -170.8 | 178.3 | 6.2 | 112.3 | E368 Q369 E375 L376 | E368-R372 HydrophobicContact CG-CG 4.35Å; E368-R372 WeakPolarHBondContact O-CG 3.31Å; E368-R372 PolarHBondContact O-N 2.64Å; E368-R372 IonicContact OE1-CZ 2.97Å; E368-R372 IonicContact OE1-NE 2.79Å; E368-R372 PolarHBondContact OE1-NE 2.68Å; E368-R372 IonicContact OE1-NH2 3.75Å; E368-R372 PolarHBondContact OE1-NH2 2.69Å; E368-R372 IonicContact OE2-CZ 2.74Å; E368-R372 IonicContact OE2-NH2 2.67Å; E368-R372 PolarHBondContact OE2-NH2 3.22Å; E368-R372 VanDerWaalsContact OE2-NH2 3.17Å; Q369-R372 PolarHBondContact O-N 2.71Å; R372-E375 PolarHBondContact O-N 3.08Å; R372-L376 WeakPolarHBondContact O-CB 3.41Å; R372-L376 VanDerWaalsContact O-CG 3.31Å; R372-L376 WeakPolarHBondContact O-CG 3.34Å; R372-L376 PolarHBondContact O-N 2.78Å |
| 373 | A | 85.8 | Confident | 86.2 | Confident | 55 Ų | 55 | 109 Ų | 109 | 46% | 0.455 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.4 | -43 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | Q369 T370 R371 L376 E377 | Q369-A373 WeakPolarHBondContact O-CB 3.28Å; Q369-A373 PolarHBondContact O-N 3.33Å; T370-A373 PolarHBondContact O-N 2.61Å; R371-A373 VanDerWaalsContact C-N 3.29Å; R371-A373 PolarHBondContact O-N 2.79Å; A373-L376 PolarHBondContact O-N 3.04Å; A373-E377 WeakPolarHBondContact O-CB 3.24Å; A373-E377 PolarHBondContact O-N 3.47Å |
| 374 | M | 87.4 | Confident | 86 | Confident | 105 Ų | 105 | 110.8 Ų | 110.8 | 52% | 0.517 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.6 | -38.4 | 173.9 | -72.1 | -174 | -69.8 | 0 | 0 | 112.6 | T370 R371 E377 Q378 | T370-M374 HydrophobicContact CG2-CE 4.32Å; T370-M374 PolarHBondContact O-N 2.97Å; T370-M374 VanDerWaalsContact O-N 3.07Å; R371-M374 PolarHBondContact O-N 3.42Å; M374-E377 PolarHBondContact O-N 3.49Å; M374-Q378 WeakPolarHBondContact O-CG 3.46Å; M374-Q378 PolarHBondContact O-N 3.31Å |
| 375 | E | 88 | Confident | 85.8 | Confident | 92 Ų | 92 | 108.3 Ų | 108.3 | 43% | 0.43 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.4 | -49.8 | 174.2 | -71.1 | 161.2 | -177.8 | 0 | 0 | 110.6 | R371 R372 E377 Q378 E379 | R371-E375 WeakPolarHBondContact CG-OE1 3.25Å; R371-E375 IonicContact NE-OE1 2.78Å; R371-E375 PolarHBondContact NE-OE1 3.4Å; R371-E375 WeakPolarHBondContact O-CG 3.41Å; R371-E375 PolarHBondContact O-N 3.41Å; R372-E375 PolarHBondContact O-N 3.08Å; E375-E377 PolarHBondContact O-N 3.41Å; E375-Q378 PolarHBondContact O-N 2.93Å; E375-E379 PolarHBondContact O-N 3.49Å |
| 376 | L | 85.9 | Confident | 85.7 | Confident | 111 Ų | 111 | 108.8 Ų | 108.8 | 58% | 0.581 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.7 | -35.4 | 176.6 | -72.7 | 169.1 | 0 | 0 | 0 | 113.4 | R372 A373 E379 R380 | R372-L376 WeakPolarHBondContact O-CB 3.41Å; R372-L376 VanDerWaalsContact O-CG 3.31Å; R372-L376 WeakPolarHBondContact O-CG 3.34Å; R372-L376 PolarHBondContact O-N 2.78Å; A373-L376 PolarHBondContact O-N 3.04Å; L376-E379 PolarHBondContact O-N 3.36Å; L376-R380 WeakPolarHBondContact O-CB 3.4Å; L376-R380 PolarHBondContact O-N 3.09Å |
| 377 | E | 83.2 | Confident | 85.4 | Confident | 120 Ų | 120 | 106.3 Ų | 106.3 | 56% | 0.561 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -68.7 | -38.2 | 175.6 | -176.6 | 156.7 | -131.5 | 0 | 0 | 111.7 | A373 M374 E375 R380 Q381 | A373-E377 WeakPolarHBondContact O-CB 3.24Å; A373-E377 PolarHBondContact O-N 3.47Å; M374-E377 PolarHBondContact O-N 3.49Å; E375-E377 PolarHBondContact O-N 3.41Å; E377-R380 PolarHBondContact O-N 2.6Å; E377-Q381 WeakPolarHBondContact O-CB 3.44Å; E377-Q381 PolarHBondContact O-N 2.8Å |
| 378 | Q | 86.7 | Confident | 85.3 | Confident | 120 Ų | 120 | 103.6 Ų | 103.6 | 56% | 0.561 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.1 | -39.2 | 172.2 | -72.6 | 179.8 | 25.9 | 0 | 0 | 112.6 | M374 E375 K382 | M374-Q378 WeakPolarHBondContact O-CG 3.46Å; M374-Q378 PolarHBondContact O-N 3.31Å; E375-Q378 PolarHBondContact O-N 2.93Å; Q378-K382 WeakPolarHBondContact O-CD 3.45Å; Q378-K382 VanDerWaalsContact O-CG 3.3Å; Q378-K382 WeakPolarHBondContact O-CG 3.38Å; Q378-K382 PolarHBondContact O-N 3.45Å; Q378-K382 VanDerWaalsContact O-N 3.08Å |
| 379 | E | 86.3 | Confident | 85.2 | Confident | 125 Ų | 125 | 105.8 Ų | 105.8 | 58% | 0.584 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.1 | -44.7 | 173 | -71.5 | -168.4 | 150.6 | 0 | 0 | 111.7 | E375 L376 Q381 K382 A383 | E375-E379 PolarHBondContact O-N 3.49Å; L376-E379 PolarHBondContact O-N 3.36Å; E379-Q381 VanDerWaalsContact C-N 3.29Å; E379-Q381 PolarHBondContact O-N 2.92Å; E379-K382 PolarHBondContact O-N 3.34Å; E379-A383 WeakPolarHBondContact O-CB 3.42Å; E379-A383 PolarHBondContact O-N 2.78Å |
| 380 | R | 80.8 | Confident | 85 | Confident | 177 Ų | 177 | 104.8 Ų | 104.8 | 67% | 0.668 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.8 | -37.2 | 176.7 | -164.8 | -176.6 | 74.9 | 125.3 | -2.2 | 112.2 | L376 E377 R384 | L376-R380 WeakPolarHBondContact O-CB 3.4Å; L376-R380 PolarHBondContact O-N 3.09Å; E377-R380 PolarHBondContact O-N 2.6Å; R380-R384 WeakPolarHBondContact O-CB 3.37Å; R380-R384 PolarHBondContact O-N 2.84Å |
| 381 | Q | 84.6 | Confident | 84.8 | Confident | 86 Ų | 86 | 106.1 Ų | 106.1 | 40% | 0.402 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.4 | -44.9 | 176.2 | -178.7 | 59.1 | 21.7 | 0 | 0 | 111.7 | E377 E379 R384 E385 | E377-Q381 WeakPolarHBondContact O-CB 3.44Å; E377-Q381 PolarHBondContact O-N 2.8Å; E379-Q381 VanDerWaalsContact C-N 3.29Å; E379-Q381 PolarHBondContact O-N 2.92Å; Q381-R384 WeakPolarHBondContact O-CB 3.38Å; Q381-R384 PolarHBondContact O-N 2.82Å; Q381-E385 WeakPolarHBondContact CG-OE1 3.47Å; Q381-E385 PolarHBondContact NE2-OE1 3.36Å; Q381-E385 WeakPolarHBondContact O-CG 3.47Å; Q381-E385 PolarHBondContact O-N 3.01Å |
| 382 | K | 86.7 | Confident | 84.7 | Confident | 127 Ų | 127 | 107.1 Ų | 107.1 | 55% | 0.552 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -59.8 | -47.3 | 173.9 | -69.3 | 163.1 | -171.7 | 165 | 0 | 111.8 | Q378 E379 R384 E385 E386 | Q378-K382 WeakPolarHBondContact O-CD 3.45Å; Q378-K382 VanDerWaalsContact O-CG 3.3Å; Q378-K382 WeakPolarHBondContact O-CG 3.38Å; Q378-K382 PolarHBondContact O-N 3.45Å; Q378-K382 VanDerWaalsContact O-N 3.08Å; E379-K382 PolarHBondContact O-N 3.34Å; K382-R384 VanDerWaalsContact C-N 3.26Å; K382-R384 PolarHBondContact O-N 3.29Å; K382-E385 PolarHBondContact O-N 3.23Å; K382-E386 WeakPolarHBondContact O-CB 3.37Å; K382-E386 PolarHBondContact O-N 2.82Å |
| 383 | A | 82.6 | Confident | 84.6 | Confident | 55 Ų | 55 | 105.7 Ų | 105.7 | 46% | 0.455 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.6 | -33.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E379 A387 | E379-A383 WeakPolarHBondContact O-CB 3.42Å; E379-A383 PolarHBondContact O-N 2.78Å; A383-A387 VanDerWaalsContact O-CB 3.27Å; A383-A387 WeakPolarHBondContact O-CB 3.4Å; A383-A387 PolarHBondContact O-N 3.39Å |
| 384 | R | 82.8 | Confident | 84.6 | Confident | 144 Ų | 144 | 109.7 Ų | 109.7 | 54% | 0.543 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.9 | -46.3 | 171.9 | 179 | -175.7 | 169.4 | 163.1 | 3.5 | 112 | R380 Q381 K382 E386 A387 E388 | R380-R384 WeakPolarHBondContact O-CB 3.37Å; R380-R384 PolarHBondContact O-N 2.84Å; Q381-R384 WeakPolarHBondContact O-CB 3.38Å; Q381-R384 PolarHBondContact O-N 2.82Å; K382-R384 VanDerWaalsContact C-N 3.26Å; K382-R384 PolarHBondContact O-N 3.29Å; R384-E386 VanDerWaalsContact C-N 3.28Å; R384-E386 PolarHBondContact O-N 2.93Å; R384-A387 PolarHBondContact O-N 3.14Å; R384-E388 HydrophobicContact CG-CG 4.4Å; R384-E388 IonicContact CZ-OE1 3.79Å; R384-E388 VanDerWaalsContact CZ-OE1 3.28Å; R384-E388 IonicContact NE-OE1 3.02Å; R384-E388 PolarHBondContact NE-OE1 3.24Å; R384-E388 IonicContact NH2-OE1 2.7Å; R384-E388 PolarHBondContact NH2-OE1 3.35Å; R384-E388 WeakPolarHBondContact O-CG 3.32Å; R384-E388 PolarHBondContact O-N 2.86Å |
| 385 | E | 84.9 | Confident | 84.3 | Confident | 107 Ų | 107 | 109.3 Ų | 109.3 | 50% | 0.5 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.8 | -38.2 | 178.4 | -73.2 | 168.8 | -168.1 | 0 | 0 | 111.6 | Q381 K382 K389 | Q381-E385 WeakPolarHBondContact CG-OE1 3.47Å; Q381-E385 PolarHBondContact NE2-OE1 3.36Å; Q381-E385 WeakPolarHBondContact O-CG 3.47Å; Q381-E385 PolarHBondContact O-N 3.01Å; K382-E385 PolarHBondContact O-N 3.23Å; E385-K389 WeakPolarHBondContact O-CB 3.28Å; E385-K389 PolarHBondContact O-N 2.92Å |
| 386 | E | 85.4 | Confident | 84.2 | Confident | 130 Ų | 130 | 107.6 Ų | 107.6 | 61% | 0.607 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.1 | -43.7 | 172.3 | -174.5 | 167.4 | -150 | 0 | 0 | 112.4 | K382 R384 K389 L390 | K382-E386 WeakPolarHBondContact O-CB 3.37Å; K382-E386 PolarHBondContact O-N 2.82Å; R384-E386 VanDerWaalsContact C-N 3.28Å; R384-E386 PolarHBondContact O-N 2.93Å; E386-K389 WeakPolarHBondContact O-CB 3.49Å; E386-K389 PolarHBondContact O-N 3.12Å; E386-L390 HydrophobicContact CG-CD1 4.3Å; E386-L390 WeakPolarHBondContact O-CG 3.35Å; E386-L390 PolarHBondContact O-N 2.76Å |
| 387 | A | 79.5 | Confident | 84 | Confident | 52 Ų | 52 | 105.3 Ų | 105.3 | 43% | 0.43 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.1 | -43.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A383 R384 K389 L390 E391 | A383-A387 VanDerWaalsContact O-CB 3.27Å; A383-A387 WeakPolarHBondContact O-CB 3.4Å; A383-A387 PolarHBondContact O-N 3.39Å; R384-A387 PolarHBondContact O-N 3.14Å; A387-K389 VanDerWaalsContact C-N 3.28Å; A387-K389 PolarHBondContact O-N 3.44Å; A387-L390 PolarHBondContact O-N 3.38Å; A387-E391 WeakPolarHBondContact O-CB 3.45Å; A387-E391 PolarHBondContact O-N 3.4Å |
| 388 | E | 84.3 | Confident | 83.8 | Confident | 56 Ų | 56 | 104.4 Ų | 104.4 | 26% | 0.262 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66 | -29.5 | 174.6 | -70.7 | -174.2 | -166.1 | 0 | 0 | 112 | R384 R392 | R384-E388 HydrophobicContact CG-CG 4.4Å; R384-E388 IonicContact CZ-OE1 3.79Å; R384-E388 VanDerWaalsContact CZ-OE1 3.28Å; R384-E388 IonicContact NE-OE1 3.02Å; R384-E388 PolarHBondContact NE-OE1 3.24Å; R384-E388 IonicContact NH2-OE1 2.7Å; R384-E388 PolarHBondContact NH2-OE1 3.35Å; R384-E388 WeakPolarHBondContact O-CG 3.32Å; R384-E388 PolarHBondContact O-N 2.86Å; E388-R392 VanDerWaalsContact C-NH1 3.28Å; E388-R392 WeakPolarHBondContact O-CD 3.31Å; E388-R392 VanDerWaalsContact O-CG 3.23Å; E388-R392 WeakPolarHBondContact O-CG 3.24Å; E388-R392 PolarHBondContact O-N 3.24Å; E388-R392 VanDerWaalsContact O-N 3.15Å; E388-R392 PolarHBondContact O-NH1 3.45Å; E388-R392 IonicContact OE2-CZ 2.89Å; E388-R392 IonicContact OE2-NH1 3.47Å; E388-R392 IonicContact OE2-NH2 3.61Å; E388-R392 PolarHBondContact OE2-NH2 2.95Å |
| 389 | K | 86.4 | Confident | 83.6 | Confident | 116 Ų | 116 | 105.6 Ų | 105.6 | 50% | 0.504 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.6 | -47.5 | 171.6 | -179.5 | 178.9 | 176.8 | -75.8 | 0 | 111.2 | E385 E386 A387 E391 R392 E393 | E385-K389 WeakPolarHBondContact O-CB 3.28Å; E385-K389 PolarHBondContact O-N 2.92Å; E386-K389 WeakPolarHBondContact O-CB 3.49Å; E386-K389 PolarHBondContact O-N 3.12Å; A387-K389 VanDerWaalsContact C-N 3.28Å; A387-K389 PolarHBondContact O-N 3.44Å; K389-E391 VanDerWaalsContact C-N 3.29Å; K389-E391 PolarHBondContact O-N 3.29Å; K389-R392 PolarHBondContact O-N 3.49Å; K389-E393 WeakPolarHBondContact CE-OE1 3.35Å; K389-E393 IonicContact NZ-OE1 3.46Å; K389-E393 PolarHBondContact NZ-OE1 2.9Å; K389-E393 PolarHBondContact O-N 3.38Å |
| 390 | L | 82.8 | Confident | 83.4 | Confident | 102 Ų | 102 | 102.2 Ų | 102.2 | 53% | 0.534 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.4 | -36.2 | 175.9 | -74.3 | 165.3 | 0 | 0 | 0 | 112.2 | E386 A387 E393 R394 | E386-L390 HydrophobicContact CG-CD1 4.3Å; E386-L390 WeakPolarHBondContact O-CG 3.35Å; E386-L390 PolarHBondContact O-N 2.76Å; A387-L390 PolarHBondContact O-N 3.38Å; L390-E393 PolarHBondContact O-N 2.92Å; L390-R394 WeakPolarHBondContact O-CB 3.35Å; L390-R394 PolarHBondContact O-N 2.99Å |
| 391 | E | 81.1 | Confident | 83.5 | Confident | 97 Ų | 97 | 101.2 Ų | 101.2 | 45% | 0.453 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69 | -39.9 | 175.6 | -176 | 161.4 | -142.3 | 0 | 0 | 112.3 | A387 K389 R394 Q395 | A387-E391 WeakPolarHBondContact O-CB 3.45Å; A387-E391 PolarHBondContact O-N 3.4Å; K389-E391 VanDerWaalsContact C-N 3.29Å; K389-E391 PolarHBondContact O-N 3.29Å; E391-R394 PolarHBondContact O-N 2.88Å; E391-Q395 HydrophobicContact CG-CG 4.48Å; E391-Q395 WeakPolarHBondContact O-CB 3.46Å; E391-Q395 VanDerWaalsContact O-CG 3.31Å; E391-Q395 WeakPolarHBondContact O-CG 3.38Å; E391-Q395 PolarHBondContact O-N 2.94Å |
| 392 | R | 85.9 | Confident | 83.3 | Confident | 142 Ų | 142 | 100 Ų | 100 | 54% | 0.536 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.5 | -42 | 172.1 | -69.5 | 167.7 | -165 | 113.8 | 4.7 | 111.9 | E388 K389 Q395 A396 | E388-R392 VanDerWaalsContact C-NH1 3.28Å; E388-R392 WeakPolarHBondContact O-CD 3.31Å; E388-R392 VanDerWaalsContact O-CG 3.23Å; E388-R392 WeakPolarHBondContact O-CG 3.24Å; E388-R392 PolarHBondContact O-N 3.24Å; E388-R392 VanDerWaalsContact O-N 3.15Å; E388-R392 PolarHBondContact O-NH1 3.45Å; E388-R392 IonicContact OE2-CZ 2.89Å; E388-R392 IonicContact OE2-NH1 3.47Å; E388-R392 IonicContact OE2-NH2 3.61Å; E388-R392 PolarHBondContact OE2-NH2 2.95Å; K389-R392 PolarHBondContact O-N 3.49Å; R392-Q395 PolarHBondContact O-N 2.72Å; R392-A396 PolarHBondContact O-N 3.08Å |
| 393 | E | 84.9 | Confident | 83.1 | Confident | 100 Ų | 100 | 98.5 Ų | 98.5 | 47% | 0.467 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.8 | -39.6 | 174.7 | -74 | 174.1 | -165.2 | 0 | 0 | 111.8 | K389 L390 A397 | K389-E393 WeakPolarHBondContact CE-OE1 3.35Å; K389-E393 IonicContact NZ-OE1 3.46Å; K389-E393 PolarHBondContact NZ-OE1 2.9Å; K389-E393 PolarHBondContact O-N 3.38Å; L390-E393 PolarHBondContact O-N 2.92Å; E393-A397 PolarHBondContact O-N 3.27Å; E393-A397 VanDerWaalsContact O-N 3.14Å |
| 394 | R | 85.9 | Confident | 82.8 | Confident | 139 Ų | 139 | 101.3 Ų | 101.3 | 53% | 0.525 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.6 | -47 | 173.1 | -169.1 | -157.6 | 120.7 | -157.1 | 2.1 | 111.9 | L390 E391 A396 A397 E398 | L390-R394 WeakPolarHBondContact O-CB 3.35Å; L390-R394 PolarHBondContact O-N 2.99Å; E391-R394 PolarHBondContact O-N 2.88Å; R394-A396 PolarHBondContact O-N 3.44Å; R394-A397 PolarHBondContact O-N 3.39Å; R394-E398 IonicContact CZ-OE2 2.89Å; R394-E398 VanDerWaalsContact CZ-OE2 3.26Å; R394-E398 IonicContact NE-OE2 2.79Å; R394-E398 PolarHBondContact NE-OE2 3.27Å; R394-E398 IonicContact NH2-OE1 3.25Å; R394-E398 IonicContact NH2-OE2 3.58Å; R394-E398 PolarHBondContact NH2-OE2 2.93Å; R394-E398 WeakPolarHBondContact O-CB 3.38Å; R394-E398 PolarHBondContact O-N 2.88Å |
| 395 | Q | 82 | Confident | 82.5 | Confident | 97 Ų | 97 | 97.3 Ų | 97.3 | 45% | 0.453 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.2 | -46.2 | -179.5 | -75.2 | 172.5 | 2.6 | 0 | 0 | 111 | E391 R392 A397 E398 E399 | E391-Q395 HydrophobicContact CG-CG 4.48Å; E391-Q395 WeakPolarHBondContact O-CB 3.46Å; E391-Q395 VanDerWaalsContact O-CG 3.31Å; E391-Q395 WeakPolarHBondContact O-CG 3.38Å; E391-Q395 PolarHBondContact O-N 2.94Å; R392-Q395 PolarHBondContact O-N 2.72Å; Q395-A397 VanDerWaalsContact C-N 3.31Å; Q395-A397 PolarHBondContact O-N 3.46Å; Q395-E398 PolarHBondContact O-N 3.01Å; Q395-E398 VanDerWaalsContact O-N 3.08Å; Q395-E399 WeakPolarHBondContact O-CG 3.47Å; Q395-E399 PolarHBondContact O-N 2.91Å |
| 396 | A | 86 | Confident | 82.2 | Confident | 57 Ų | 57 | 97.4 Ų | 97.4 | 47% | 0.471 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.9 | -37.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | R392 R394 A400 | R392-A396 PolarHBondContact O-N 3.08Å; R394-A396 PolarHBondContact O-N 3.44Å; A396-A400 WeakPolarHBondContact O-CB 3.35Å; A396-A400 PolarHBondContact O-N 3.19Å |
| 397 | A | 80.7 | Confident | 81.9 | Confident | 63 Ų | 63 | 96.5 Ų | 96.5 | 52% | 0.521 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -70.1 | -32.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | E393 R394 Q395 K401 | E393-A397 PolarHBondContact O-N 3.27Å; E393-A397 VanDerWaalsContact O-N 3.14Å; R394-A397 PolarHBondContact O-N 3.39Å; Q395-A397 VanDerWaalsContact C-N 3.31Å; Q395-A397 PolarHBondContact O-N 3.46Å; A397-K401 WeakPolarHBondContact O-CB 3.43Å; A397-K401 PolarHBondContact O-N 3.28Å |
| 398 | E | 79.4 | Confident | 81.7 | Confident | 101 Ų | 101 | 96.7 Ų | 96.7 | 47% | 0.472 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -74.1 | -39.2 | 177.7 | -161.3 | 161.4 | 169.1 | 0 | 0 | 111.6 | R394 Q395 K401 A402 | R394-E398 IonicContact CZ-OE2 2.89Å; R394-E398 VanDerWaalsContact CZ-OE2 3.26Å; R394-E398 IonicContact NE-OE2 2.79Å; R394-E398 PolarHBondContact NE-OE2 3.27Å; R394-E398 IonicContact NH2-OE1 3.25Å; R394-E398 IonicContact NH2-OE2 3.58Å; R394-E398 PolarHBondContact NH2-OE2 2.93Å; R394-E398 WeakPolarHBondContact O-CB 3.38Å; R394-E398 PolarHBondContact O-N 2.88Å; Q395-E398 PolarHBondContact O-N 3.01Å; Q395-E398 VanDerWaalsContact O-N 3.08Å; E398-K401 PolarHBondContact O-N 3.29Å; E398-A402 PolarHBondContact O-N 2.84Å |
| 399 | E | 82.4 | Confident | 81.3 | Confident | 144 Ų | 144 | 95.9 Ų | 95.9 | 67% | 0.673 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.9 | -48.1 | 169.7 | -71.5 | -179.6 | 163.5 | 0 | 0 | 112 | Q395 K401 A402 E403 | Q395-E399 WeakPolarHBondContact O-CG 3.47Å; Q395-E399 PolarHBondContact O-N 2.91Å; E399-K401 VanDerWaalsContact C-N 3.26Å; E399-K401 PolarHBondContact O-N 3.01Å; E399-A402 WeakPolarHBondContact O-CB 3.4Å; E399-A402 PolarHBondContact O-N 3.24Å; E399-E403 PolarHBondContact O-N 2.89Å |
| 400 | A | 82.8 | Confident | 80.8 | Confident | 55 Ų | 55 | 93.7 Ų | 93.7 | 46% | 0.455 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.9 | -36.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A396 L404 | A396-A400 WeakPolarHBondContact O-CB 3.35Å; A396-A400 PolarHBondContact O-N 3.19Å; A400-L404 WeakPolarHBondContact O-CG 3.34Å; A400-L404 PolarHBondContact O-N 2.89Å |
| 401 | K | 81.4 | Confident | 80.3 | Confident | 156 Ų | 156 | 95.8 Ų | 95.8 | 68% | 0.678 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.9 | -38.1 | 172.8 | -177.3 | -174 | 175.2 | -169.7 | 0 | 112.1 | A397 E398 E399 A405 | A397-K401 WeakPolarHBondContact O-CB 3.43Å; A397-K401 PolarHBondContact O-N 3.28Å; E398-K401 PolarHBondContact O-N 3.29Å; E399-K401 VanDerWaalsContact C-N 3.26Å; E399-K401 PolarHBondContact O-N 3.01Å; K401-A405 WeakPolarHBondContact O-CB 3.28Å; K401-A405 PolarHBondContact O-N 3.43Å |
| 402 | A | 80.5 | Confident | 79.8 | Confident | 59 Ų | 59 | 96.4 Ų | 96.4 | 49% | 0.488 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.2 | -40.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | E398 E399 A405 K406 | E398-A402 PolarHBondContact O-N 2.84Å; E399-A402 WeakPolarHBondContact O-CB 3.4Å; E399-A402 PolarHBondContact O-N 3.24Å; A402-A405 PolarHBondContact O-N 3.28Å; A402-K406 WeakPolarHBondContact O-CB 3.18Å; A402-K406 PolarHBondContact O-N 2.86Å |
| 403 | E | 82.6 | Confident | 79.3 | Confident | 96 Ų | 96 | 94.9 Ų | 94.9 | 45% | 0.449 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.9 | -41.3 | 176.1 | -160.4 | 70.3 | -122 | 0 | 0 | 111.4 | E399 K406 Q407 | E399-E403 PolarHBondContact O-N 2.89Å; E403-K406 PolarHBondContact O-N 2.86Å; E403-K406 IonicContact OE1-NZ 2.82Å; E403-K406 PolarHBondContact OE1-NZ 3.25Å; E403-Q407 WeakPolarHBondContact O-CG 3.43Å; E403-Q407 PolarHBondContact O-N 2.86Å |
| 404 | L | 76.1 | Confident | 78.8 | Confident | 114 Ų | 114 | 93.9 Ų | 93.9 | 60% | 0.597 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.4 | -42.1 | 172.4 | -75 | 168 | 0 | 0 | 0 | 112.6 | A400 K406 Q407 A408 | A400-L404 WeakPolarHBondContact O-CG 3.34Å; A400-L404 PolarHBondContact O-N 2.89Å; L404-K406 VanDerWaalsContact C-N 3.33Å; L404-K406 PolarHBondContact O-N 2.91Å; L404-Q407 PolarHBondContact O-N 2.61Å; L404-A408 PolarHBondContact O-N 3.17Å; L404-A408 VanDerWaalsContact O-N 3.11Å |
| 405 | A | 77 | Confident | 78 | Confident | 60 Ų | 60 | 94.3 Ų | 94.3 | 50% | 0.496 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.8 | -36.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | K401 A402 A408 A409 | K401-A405 WeakPolarHBondContact O-CB 3.28Å; K401-A405 PolarHBondContact O-N 3.43Å; A402-A405 PolarHBondContact O-N 3.28Å; A405-A408 PolarHBondContact O-N 2.62Å; A405-A409 PolarHBondContact O-N 2.97Å |
| 406 | K | 80.1 | Confident | 77.4 | Confident | 110 Ų | 110 | 94.6 Ų | 94.6 | 48% | 0.478 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.8 | -43.2 | 174.5 | 175.9 | -179.7 | 154.4 | -144.3 | 0 | 112 | A402 E403 L404 A408 A409 D410 | A402-K406 WeakPolarHBondContact O-CB 3.18Å; A402-K406 PolarHBondContact O-N 2.86Å; E403-K406 PolarHBondContact O-N 2.86Å; E403-K406 IonicContact OE1-NZ 2.82Å; E403-K406 PolarHBondContact OE1-NZ 3.25Å; L404-K406 VanDerWaalsContact C-N 3.33Å; L404-K406 PolarHBondContact O-N 2.91Å; K406-A408 VanDerWaalsContact C-N 3.29Å; K406-A408 PolarHBondContact O-N 2.66Å; K406-A409 PolarHBondContact O-N 3.34Å; K406-A409 VanDerWaalsContact O-N 3.14Å; K406-D410 PolarHBondContact O-N 3.43Å |
| 407 | Q | 78.9 | Confident | 76.6 | Confident | 110 Ų | 110 | 98.4 Ų | 98.4 | 51% | 0.514 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.4 | -39.8 | 174.1 | -70.2 | 172.5 | 25.1 | 0 | 0 | 112 | E403 L404 Q411 | E403-Q407 WeakPolarHBondContact O-CG 3.43Å; E403-Q407 PolarHBondContact O-N 2.86Å; L404-Q407 PolarHBondContact O-N 2.61Å; Q407-Q411 WeakPolarHBondContact O-CG 3.49Å; Q407-Q411 PolarHBondContact O-N 2.95Å |
| 408 | A | 74.1 | Confident | 76.1 | Confident | 56 Ų | 56 | 100.8 Ų | 100.8 | 46% | 0.463 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.9 | -41.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L404 A405 K406 D410 Q411 Q412 | L404-A408 PolarHBondContact O-N 3.17Å; L404-A408 VanDerWaalsContact O-N 3.11Å; A405-A408 PolarHBondContact O-N 2.62Å; K406-A408 VanDerWaalsContact C-N 3.29Å; K406-A408 PolarHBondContact O-N 2.66Å; A408-D410 PolarHBondContact O-N 2.79Å; A408-Q411 PolarHBondContact O-N 2.98Å; A408-Q412 PolarHBondContact O-N 3.42Å |
| 409 | A | 75.9 | Confident | 75.5 | Confident | 40 Ų | 40 | 98.6 Ų | 98.6 | 33% | 0.331 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.4 | -36.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | A405 K406 Q412 K413 | A405-A409 PolarHBondContact O-N 2.97Å; K406-A409 PolarHBondContact O-N 3.34Å; K406-A409 VanDerWaalsContact O-N 3.14Å; A409-Q412 WeakPolarHBondContact O-CB 3.34Å; A409-Q412 PolarHBondContact O-N 3.15Å; A409-K413 WeakPolarHBondContact O-CG 3.28Å; A409-K413 PolarHBondContact O-N 3.36Å |
| 410 | D | 76.2 | Confident | 75 | Confident | 69 Ų | 69 | 94.6 Ų | 94.6 | 37% | 0.369 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -75.7 | -29.3 | 177.3 | -69.2 | -29.5 | 0 | 0 | 0 | 112.5 | K406 A408 K413 T414 | K406-D410 PolarHBondContact O-N 3.43Å; A408-D410 PolarHBondContact O-N 2.79Å; D410-K413 IonicContact OD1-NZ 3.76Å; D410-K413 PolarHBondContact OD1-NZ 3.03Å; D410-T414 PolarHBondContact O-N 3.18Å; D410-T414 PolarHBondContact O-OG1 3.3Å |
| 411 | Q | 71.3 | Confident | 74.4 | Confident | 146 Ų | 146 | 98.2 Ų | 98.2 | 68% | 0.682 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.5 | -43.7 | 164 | -74.5 | -176.2 | -4.4 | 0 | 0 | 111.7 | Q407 A408 T414 Q415 | Q407-Q411 WeakPolarHBondContact O-CG 3.49Å; Q407-Q411 PolarHBondContact O-N 2.95Å; A408-Q411 PolarHBondContact O-N 2.98Å; Q411-T414 WeakPolarHBondContact O-CB 3.32Å; Q411-T414 PolarHBondContact O-N 3.45Å; Q411-T414 VanDerWaalsContact O-N 3.17Å; Q411-Q415 PolarHBondContact O-N 3.2Å |
| 412 | Q | 71.4 | Confident | 73.4 | Confident | 110 Ų | 110 | 96.5 Ų | 96.5 | 51% | 0.514 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.5 | -46.3 | 178.5 | -174 | -178.1 | -33.7 | 0 | 0 | 112 | A408 A409 T414 Q415 E416 | A408-Q412 PolarHBondContact O-N 3.42Å; A409-Q412 WeakPolarHBondContact O-CB 3.34Å; A409-Q412 PolarHBondContact O-N 3.15Å; Q412-T414 PolarHBondContact O-N 2.81Å; Q412-Q415 WeakPolarHBondContact O-CB 3.39Å; Q412-Q415 PolarHBondContact O-N 3.26Å; Q412-E416 PolarHBondContact NE2-OE1 2.97Å; Q412-E416 WeakPolarHBondContact O-CG 3.43Å; Q412-E416 PolarHBondContact O-N 3.49Å |
| 413 | K | 75.3 | Confident | 72.8 | Confident | 110 Ų | 110 | 96.3 Ų | 96.3 | 48% | 0.478 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -56.7 | -34.6 | 174.9 | -70.6 | 171.7 | -165.6 | 157 | 0 | 112.8 | A409 D410 Q415 E416 Q417 | A409-K413 WeakPolarHBondContact O-CG 3.28Å; A409-K413 PolarHBondContact O-N 3.36Å; D410-K413 IonicContact OD1-NZ 3.76Å; D410-K413 PolarHBondContact OD1-NZ 3.03Å; K413-Q415 VanDerWaalsContact C-N 3.35Å; K413-E416 PolarHBondContact O-N 3.2Å; K413-Q417 WeakPolarHBondContact O-CG 3.42Å; K413-Q417 PolarHBondContact O-N 3.4Å |
| 414 | T | 75.1 | Confident | 72.4 | Confident | 79 Ų | 79 | 99 Ų | 99 | 49% | 0.485 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68.2 | -35.4 | 178.1 | -52.1 | 0 | 0 | 0 | 0 | 110.9 | D410 Q411 Q412 L418 | D410-T414 PolarHBondContact O-N 3.18Å; D410-T414 PolarHBondContact O-OG1 3.3Å; Q411-T414 WeakPolarHBondContact O-CB 3.32Å; Q411-T414 PolarHBondContact O-N 3.45Å; Q411-T414 VanDerWaalsContact O-N 3.17Å; Q412-T414 PolarHBondContact O-N 2.81Å; T414-L418 VanDerWaalsContact O-CD1 3.23Å; T414-L418 WeakPolarHBondContact O-CD1 3.37Å |
| 415 | Q | 68.2 | Low | 71.7 | Confident | 148 Ų | 148 | 100.9 Ų | 100.9 | 69% | 0.692 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -69.5 | -40.1 | 169.5 | -75.3 | -173.2 | -31.9 | 0 | 0 | 112.6 | Q411 Q412 K413 Q417 L418 A419 | Q411-Q415 PolarHBondContact O-N 3.2Å; Q412-Q415 WeakPolarHBondContact O-CB 3.39Å; Q412-Q415 PolarHBondContact O-N 3.26Å; K413-Q415 VanDerWaalsContact C-N 3.35Å; Q415-Q417 VanDerWaalsContact C-N 3.27Å; Q415-Q417 PolarHBondContact O-N 3.41Å; Q415-L418 PolarHBondContact O-N 2.93Å; Q415-A419 PolarHBondContact O-N 2.87Å |
| 416 | E | 69.6 | Low | 71.3 | Confident | 103 Ų | 103 | 102.2 Ų | 102.2 | 48% | 0.481 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.4 | -32.7 | 178.5 | -70.6 | 170.2 | 179.7 | 0 | 0 | 112.3 | Q412 K413 A419 A420 | Q412-E416 PolarHBondContact NE2-OE1 2.97Å; Q412-E416 WeakPolarHBondContact O-CG 3.43Å; Q412-E416 PolarHBondContact O-N 3.49Å; K413-E416 PolarHBondContact O-N 3.2Å; E416-A419 WeakPolarHBondContact O-CB 3.37Å; E416-A419 PolarHBondContact O-N 2.87Å; E416-A420 PolarHBondContact O-N 3.43Å |
| 417 | Q | 70.2 | Confident | 70.8 | Confident | 137 Ų | 137 | 99.4 Ų | 99.4 | 64% | 0.64 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66 | -42.4 | 173.3 | -75.4 | 179.6 | -16.4 | 0 | 0 | 113.1 | K413 Q415 A419 A420 E421 | K413-Q417 WeakPolarHBondContact O-CG 3.42Å; K413-Q417 PolarHBondContact O-N 3.4Å; Q415-Q417 VanDerWaalsContact C-N 3.27Å; Q415-Q417 PolarHBondContact O-N 3.41Å; Q417-A419 VanDerWaalsContact C-N 3.28Å; Q417-A419 PolarHBondContact O-N 3.18Å; Q417-A420 WeakPolarHBondContact O-CB 3.49Å; Q417-A420 PolarHBondContact O-N 2.71Å; Q417-E421 PolarHBondContact O-N 2.76Å |
| 418 | L | 69.2 | Low | 70.2 | Confident | 113 Ų | 113 | 101.8 Ų | 101.8 | 59% | 0.592 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.1 | -33.3 | 173 | -84.3 | 87.4 | 0 | 0 | 0 | 112.1 | T414 Q415 A420 L422 | T414-L418 VanDerWaalsContact O-CD1 3.23Å; T414-L418 WeakPolarHBondContact O-CD1 3.37Å; Q415-L418 PolarHBondContact O-N 2.93Å; L418-A420 VanDerWaalsContact C-N 3.32Å; L418-L422 PolarHBondContact O-N 2.97Å |
| 419 | A | 67.7 | Low | 69.6 | Low | 56 Ų | 56 | 104.2 Ų | 104.2 | 46% | 0.463 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67.2 | -32.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q415 E416 Q417 A423 | Q415-A419 PolarHBondContact O-N 2.87Å; E416-A419 WeakPolarHBondContact O-CB 3.37Å; E416-A419 PolarHBondContact O-N 2.87Å; Q417-A419 VanDerWaalsContact C-N 3.28Å; Q417-A419 PolarHBondContact O-N 3.18Å; A419-A423 WeakPolarHBondContact O-CB 3.5Å; A419-A423 PolarHBondContact O-N 2.68Å |
| 420 | A | 71.8 | Confident | 69.1 | Low | 59 Ų | 59 | 104.5 Ų | 104.5 | 49% | 0.488 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -68.5 | -41.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | E416 Q417 L418 L422 A423 E424 | E416-A420 PolarHBondContact O-N 3.43Å; Q417-A420 WeakPolarHBondContact O-CB 3.49Å; Q417-A420 PolarHBondContact O-N 2.71Å; L418-A420 VanDerWaalsContact C-N 3.32Å; A420-L422 PolarHBondContact O-N 3.07Å; A420-A423 WeakPolarHBondContact O-CB 3.42Å; A420-A423 PolarHBondContact O-N 2.91Å; A420-A423 VanDerWaalsContact O-N 3.15Å; A420-E424 PolarHBondContact O-N 2.91Å |
| 421 | E | 68.9 | Low | 68.9 | Low | 132 Ų | 132 | 107.8 Ų | 107.8 | 62% | 0.617 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62.9 | -41.9 | 174.6 | -67.7 | -170.7 | 149.3 | 0 | 0 | 111.6 | Q417 A423 E424 F425 | Q417-E421 PolarHBondContact O-N 2.76Å; E421-A423 VanDerWaalsContact C-N 3.29Å; E421-A423 PolarHBondContact O-N 2.95Å; E421-E424 PolarHBondContact O-N 2.83Å; E421-F425 VanDerWaalsContact O-CD2 3.26Å; E421-F425 WeakPolarHBondContact O-CD2 3.33Å; E421-F425 PolarHBondContact O-N 2.92Å |
| 422 | L | 61.5 | Low | 68.2 | Low | 120 Ų | 120 | 107.6 Ų | 107.6 | 63% | 0.628 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.6 | -35.5 | 173 | -71.4 | 169.9 | 0 | 0 | 0 | 112.3 | L418 A420 T426 | L418-L422 PolarHBondContact O-N 2.97Å; A420-L422 PolarHBondContact O-N 3.07Å; L422-T426 WeakPolarHBondContact O-CB 3.37Å; L422-T426 PolarHBondContact O-N 3.48Å; L422-T426 PolarHBondContact O-OG1 3.14Å |
| 423 | A | 68.3 | Low | 67.8 | Low | 54 Ų | 54 | 107.7 Ų | 107.7 | 45% | 0.446 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -68.2 | -34.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A419 A420 E421 T426 A427 | A419-A423 WeakPolarHBondContact O-CB 3.5Å; A419-A423 PolarHBondContact O-N 2.68Å; A420-A423 WeakPolarHBondContact O-CB 3.42Å; A420-A423 PolarHBondContact O-N 2.91Å; A420-A423 VanDerWaalsContact O-N 3.15Å; E421-A423 VanDerWaalsContact C-N 3.29Å; E421-A423 PolarHBondContact O-N 2.95Å; A423-T426 CarbonylContact O-C 3.5Å; A423-T426 PolarHBondContact O-N 3.04Å; A423-A427 WeakPolarHBondContact O-CB 3.36Å; A423-A427 PolarHBondContact O-N 2.91Å |
| 424 | E | 72.9 | Confident | 67.1 | Low | 153 Ų | 153 | 106.2 Ų | 106.2 | 72% | 0.715 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -65.5 | -45.7 | 175.7 | -169.2 | -179.3 | 171.3 | 0 | 0 | 111.8 | A420 E421 T426 A427 K428 | A420-E424 PolarHBondContact O-N 2.91Å; E421-E424 PolarHBondContact O-N 2.83Å; E424-T426 VanDerWaalsContact C-N 3.26Å; E424-T426 PolarHBondContact O-N 3.37Å; E424-A427 PolarHBondContact O-N 3.32Å; E424-K428 PolarHBondContact O-N 3.44Å; E424-K428 VanDerWaalsContact O-N 3.16Å |
| 425 | F | 62.8 | Low | 66.4 | Low | 153 Ų | 153 | 106.8 Ų | 106.8 | 67% | 0.671 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -59.9 | -37.6 | 172.2 | -73.9 | -69 | 0 | 0 | 0 | 112 | E421 K428 I429 | E421-F425 VanDerWaalsContact O-CD2 3.26Å; E421-F425 WeakPolarHBondContact O-CD2 3.33Å; E421-F425 PolarHBondContact O-N 2.92Å; F425-K428 PolarHBondContact O-N 2.84Å; F425-I429 PolarHBondContact O-N 3.3Å |
| 426 | T | 68 | Low | 65.6 | Low | 88 Ų | 88 | 106.6 Ų | 106.6 | 54% | 0.54 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -70.1 | -40 | 177.8 | -54.8 | 0 | 0 | 0 | 0 | 112.1 | L422 A423 E424 K428 I429 A430 | L422-T426 WeakPolarHBondContact O-CB 3.37Å; L422-T426 PolarHBondContact O-N 3.48Å; L422-T426 PolarHBondContact O-OG1 3.14Å; A423-T426 CarbonylContact O-C 3.5Å; A423-T426 PolarHBondContact O-N 3.04Å; E424-T426 VanDerWaalsContact C-N 3.26Å; E424-T426 PolarHBondContact O-N 3.37Å; T426-K428 VanDerWaalsContact C-N 3.25Å; T426-K428 PolarHBondContact O-N 3.43Å; T426-I429 WeakPolarHBondContact O-CA 3.48Å; T426-I429 WeakPolarHBondContact O-CB 3.26Å; T426-I429 PolarHBondContact O-N 3.45Å; T426-A430 PolarHBondContact O-N 2.99Å |
| 427 | A | 69.3 | Low | 65.1 | Low | 51 Ų | 51 | 108 Ų | 108 | 42% | 0.421 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -62.8 | -32.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A423 E424 I429 A430 L431 | A423-A427 WeakPolarHBondContact O-CB 3.36Å; A423-A427 PolarHBondContact O-N 2.91Å; E424-A427 PolarHBondContact O-N 3.32Å; A427-I429 VanDerWaalsContact C-N 3.26Å; A427-I429 PolarHBondContact O-N 3.34Å; A427-A430 PolarHBondContact O-N 3.05Å; A427-L431 PolarHBondContact O-N 3.36Å |
| 428 | K | 66 | Low | 64.6 | Low | 160 Ų | 160 | 110.5 Ų | 110.5 | 70% | 0.696 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -67.3 | -25.2 | 173.7 | -161 | 169.1 | -172.1 | 168.5 | 0 | 113.4 | E424 F425 T426 | E424-K428 PolarHBondContact O-N 3.44Å; E424-K428 VanDerWaalsContact O-N 3.16Å; F425-K428 PolarHBondContact O-N 2.84Å; T426-K428 VanDerWaalsContact C-N 3.25Å; T426-K428 PolarHBondContact O-N 3.43Å |
| 429 | I | 61.5 | Low | 63.8 | Low | 107 Ų | 107 | 114.1 Ų | 114.1 | 55% | 0.549 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -80.9 | -45.9 | 169.4 | -59.5 | 169.3 | 0 | 0 | 0 | 109.6 | F425 T426 A427 L431 L432 E433 | F425-I429 PolarHBondContact O-N 3.3Å; T426-I429 WeakPolarHBondContact O-CA 3.48Å; T426-I429 WeakPolarHBondContact O-CB 3.26Å; T426-I429 PolarHBondContact O-N 3.45Å; A427-I429 VanDerWaalsContact C-N 3.26Å; A427-I429 PolarHBondContact O-N 3.34Å; I429-L431 VanDerWaalsContact C-N 3.28Å; I429-L431 PolarHBondContact O-N 3.08Å; I429-L432 WeakPolarHBondContact O-CB 3.39Å; I429-L432 PolarHBondContact O-N 3.48Å; I429-E433 PolarHBondContact O-N 3.43Å |
| 430 | A | 66.1 | Low | 62.8 | Low | 47 Ų | 47 | 118.2 Ų | 118.2 | 39% | 0.388 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -59 | -34.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | T426 A427 L432 E433 D434 | T426-A430 PolarHBondContact O-N 2.99Å; A427-A430 PolarHBondContact O-N 3.05Å; A430-L432 PolarHBondContact O-N 2.93Å; A430-E433 CarbonylContact O-C 3.49Å; A430-E433 WeakPolarHBondContact O-CA 3.31Å; A430-E433 PolarHBondContact O-N 3.46Å; A430-D434 PolarHBondContact O-N 2.84Å |
| 431 | L | 72.1 | Confident | 61.9 | Low | 137 Ų | 137 | 121.2 Ų | 121.2 | 72% | 0.717 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -65.2 | -22.2 | 174.1 | -87 | 166.5 | 0 | 0 | 0 | 114.3 | A427 I429 | A427-L431 PolarHBondContact O-N 3.36Å; I429-L431 VanDerWaalsContact C-N 3.28Å; I429-L431 PolarHBondContact O-N 3.08Å |
| 432 | L | 56.3 | Low | 60.8 | Low | 143 Ų | 143 | 124.5 Ų | 124.5 | 75% | 0.749 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -79.5 | -25.8 | 170.3 | -62.7 | 168.2 | 0 | 0 | 0 | 111.5 | I429 A430 | I429-L432 WeakPolarHBondContact O-CB 3.39Å; I429-L432 PolarHBondContact O-N 3.48Å; A430-L432 PolarHBondContact O-N 2.93Å |
| 433 | E | 62.4 | Low | 59.3 | Low | 111 Ų | 111 | 123.9 Ų | 123.9 | 52% | 0.519 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -89.9 | -32 | 177.1 | -68.8 | -148.3 | 99 | 0 | 0 | 114 | I429 A430 A435 K436 | I429-E433 PolarHBondContact O-N 3.43Å; A430-E433 CarbonylContact O-C 3.49Å; A430-E433 WeakPolarHBondContact O-CA 3.31Å; A430-E433 PolarHBondContact O-N 3.46Å; E433-A435 PolarHBondContact O-N 2.88Å; E433-K436 WeakPolarHBondContact O-CA 3.41Å; E433-K436 WeakPolarHBondContact O-CB 3.43Å; E433-K436 PolarHBondContact O-N 3.5Å; E433-K436 IonicContact OE1-NZ 3.31Å; E433-K436 PolarHBondContact OE1-NZ 3.32Å |
| 434 | D | 61.1 | Low | 57.7 | Low | 80 Ų | 80 | 127 Ų | 127 | 43% | 0.428 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -72.8 | -16.4 | -175.5 | -149.7 | 48.8 | 0 | 0 | 0 | 112.7 | A430 K436 R437 K438 | A430-D434 PolarHBondContact O-N 2.84Å; D434-K436 PolarHBondContact O-N 3.27Å; D434-R437 PolarHBondContact O-N 3.02Å; D434-K438 PolarHBondContact O-N 2.88Å |
| 435 | A | 59.7 | Low | 55.7 | Low | 90 Ų | 90 | 127.1 Ų | 127.1 | 74% | 0.744 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -60.6 | -16.8 | 163.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | E433 | E433-A435 PolarHBondContact O-N 2.88Å |
| 436 | K | 52.8 | Low | 54.4 | Low | 145 Ų | 145 | 128.9 Ų | 128.9 | 63% | 0.63 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -88.1 | -40.2 | 173.8 | -168.3 | -174.8 | 170.2 | -167.9 | 0 | 111.4 | E433 D434 | E433-K436 WeakPolarHBondContact O-CA 3.41Å; E433-K436 WeakPolarHBondContact O-CB 3.43Å; E433-K436 PolarHBondContact O-N 3.5Å; E433-K436 IonicContact OE1-NZ 3.31Å; E433-K436 PolarHBondContact OE1-NZ 3.32Å; D434-K436 PolarHBondContact O-N 3.27Å |
| 437 | R | 58.3 | Low | 52.7 | Low | 133 Ų | 133 | 133.5 Ų | 133.5 | 50% | 0.502 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -87.9 | -16.8 | -163.6 | -170.3 | 170.9 | 176 | -132.6 | -20.2 | 115.2 | D434 K439 E440 D441 | D434-R437 PolarHBondContact O-N 3.02Å; R437-K439 PolarHBondContact O-N 2.7Å; R437-E440 PolarHBondContact O-N 3.21Å; R437-D441 IonicContact CZ-OD2 3.2Å; R437-D441 IonicContact NH2-OD1 2.84Å; R437-D441 IonicContact NH2-OD2 2.68Å; R437-D441 PolarHBondContact NH2-OD2 2.77Å |
| 438 | K | 60.1 | Low | 51.1 | Low | 189 Ų | 189 | 140 Ų | 140 | 82% | 0.822 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | 31.2 | 169.3 | -92.8 | -179.4 | 176.3 | 171.5 | 0 | 115.3 | D434 | D434-K438 PolarHBondContact O-N 2.88Š|
| 439 | K | 51.5 | Low | 49.6 | Very low | 188 Ų | 188 | 141.4 Ų | 141.4 | 82% | 0.817 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.8 | -0.1 | 176.1 | -71.8 | -166.8 | 170.4 | -168.2 | 0 | 114 | R437 | R437-K439 PolarHBondContact O-N 2.7Š|
| 440 | E | 46.8 | Very low | 48.2 | Very low | 143 Ų | 143 | 140.7 Ų | 140.7 | 67% | 0.668 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -126.4 | -15 | -157.4 | -62.8 | -175.3 | 142.7 | 0 | 0 | 119.3 | R437 | R437-E440 PolarHBondContact O-N 3.21Š|
| 441 | D | 52.6 | Low | 46.7 | Very low | 122 Ų | 122 | 146.3 Ų | 146.3 | 65% | 0.652 | 74% | 0.735 | S | S | * | * | trans | -115.4 | 116.1 | -167.7 | -72.2 | -56 | 0 | 0 | 0 | 115.3 | R437 | R437-D441 IonicContact CZ-OD2 3.2Å; R437-D441 IonicContact NH2-OD1 2.84Å; R437-D441 IonicContact NH2-OD2 2.68Å; R437-D441 PolarHBondContact NH2-OD2 2.77Å | ||
| 442 | E | 46.6 | Very low | 45.1 | Very low | 201 Ų | 201 | 145.2 Ų | 145.2 | 94% | 0.939 | 74% | 0.739 | S | S | * | * | trans | -148.3 | 43.7 | -175.9 | -61.8 | -170.9 | 116.9 | 0 | 0 | 117.3 | ||||
| 443 | A | 31.1 | Very low | 44.1 | Very low | 107 Ų | 107 | 142.6 Ų | 142.6 | 88% | 0.884 | 74% | 0.737 | S | S | * | * | trans | -142.8 | 156.9 | -170.7 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 444 | T | 33.2 | Very low | 42.5 | Very low | 120 Ų | 120 | 145.3 Ų | 145.3 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | trans | -65.8 | 158.9 | -169.9 | 48.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 445 | E | 30.7 | Very low | 41.4 | Very low | 155 Ų | 155 | 148.5 Ų | 148.5 | 72% | 0.724 | 76% | 0.763 | S | S | * | * | cis | 89 | 138.4 | 27.1 | -163.8 | -164.4 | -150.3 | 0 | 0 | 116.1 | ||||
| 446 | W | 37.1 | Very low | 40.5 | Very low | 190 Ų | 190 | 151 Ų | 151 | 72% | 0.72 | 76% | 0.764 | S | S | * | * | trans | 138 | 166.5 | 145.7 | -85.7 | 82.2 | 0 | 0 | 0 | 119.5 | ||||
| 447 | Q | 30.8 | Very low | 39.7 | Very low | 185 Ų | 185 | 151 Ų | 151 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | trans | 85.3 | 69 | 159.3 | -50.5 | -160.3 | 2.9 | 0 | 0 | 120.9 | ||||
| 448 | H | 36.6 | Very low | 38.6 | Very low | 187 Ų | 187 | 150.7 Ų | 150.7 | 87% | 0.866 | 77% | 0.774 | S | S | * | * | trans | -127.9 | 76.6 | 168.7 | -179.6 | -70.7 | 0 | 0 | 0 | 111.7 | ||||
| 449 | K | 33.2 | Very low | 37.8 | Very low | 189 Ų | 189 | 149 Ų | 149 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | trans | -150.6 | 111.1 | -178.1 | -73.8 | -171.2 | 176.4 | 177.1 | 0 | 115.5 | ||||
| 450 | A | 32.7 | Very low | 37 | Very low | 92 Ų | 92 | 145.7 Ų | 145.7 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | trans | 149.7 | 100.6 | 151.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 451 | L | 34.9 | Very low | 36.7 | Very low | 165 Ų | 165 | 146 Ų | 146 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | 63.1 | 114 | 76.1 | -63.8 | 165.9 | 0 | 0 | 0 | 112.1 | |||||
| 452 | S | 38.5 | Very low | 36 | Very low | 115 Ų | 115 | 147.3 Ų | 147.3 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | cis | 70.5 | 107.2 | 16.2 | -165.2 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 453 | A | 36.3 | Very low | 35.4 | Very low | 87 Ų | 87 | 144.9 Ų | 144.9 | 72% | 0.719 | 75% | 0.752 | S | S | * | * | trans | -177.5 | 153.5 | 147 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 454 | Q | 28.3 | Very low | 35.5 | Very low | 169 Ų | 169 | 145.4 Ų | 145.4 | 79% | 0.79 | 74% | 0.739 | S | S | * | * | trans | 70 | 148.2 | 160.9 | -53.1 | -163.1 | -89.7 | 0 | 0 | 120.6 | ||||
| 455 | E | 37.8 | Very low | 35.6 | Very low | 147 Ų | 147 | 147.3 Ų | 147.3 | 69% | 0.687 | 74% | 0.738 | S | S | * | * | cis | 175 | 135.4 | -28.5 | -100.7 | 154.4 | -174.4 | 0 | 0 | 106.8 | ||||
| 456 | D | 39.9 | Very low | 35.7 | Very low | 143 Ų | 143 | 146.2 Ų | 146.2 | 77% | 0.765 | 74% | 0.741 | S | S | * | * | 79.1 | 145.3 | 73.5 | -74.9 | -71.9 | 0 | 0 | 0 | 115.9 | |||||
| 457 | L | 36.9 | Very low | 35.5 | Very low | 143 Ų | 143 | 141.3 Ų | 141.3 | 75% | 0.749 | 74% | 0.741 | S | S | * | * | cis | -163.1 | -174.6 | 12.9 | -160.2 | 63.1 | 0 | 0 | 0 | 113.2 | ||||
| 458 | E | 35.1 | Very low | 35.5 | Very low | 128 Ų | 128 | 139.4 Ų | 139.4 | 60% | 0.598 | 74% | 0.742 | S | S | * | * | trans | 121.2 | -161.4 | 153.4 | -60.9 | -61.3 | 86.5 | 0 | 0 | 124.3 | ||||
| 459 | K | 42.7 | Very low | 35.3 | Very low | 154 Ų | 154 | 136.4 Ų | 136.4 | 67% | 0.67 | 74% | 0.737 | S | S | * | * | trans | -156.7 | 175.2 | -133.4 | -72.8 | 171.8 | -164.7 | 127.5 | 0 | 113.9 | ||||
| 460 | T | 34.1 | Very low | 35.7 | Very low | 118 Ų | 118 | 133.6 Ų | 133.6 | 72% | 0.724 | 74% | 0.738 | S | S | * | * | cis | -174.1 | -168.8 | -17.3 | 43.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 461 | K | 40.7 | Very low | 35.8 | Very low | 148 Ų | 148 | 133.5 Ų | 133.5 | 64% | 0.643 | 74% | 0.738 | S | S | * | * | cis | -173.6 | 150.4 | 2.6 | -130.4 | 171.9 | 177.5 | -70.6 | 0 | 113.3 | ||||
| 462 | E | 38.4 | Very low | 35.9 | Very low | 150 Ų | 150 | 131.9 Ų | 131.9 | 70% | 0.701 | 74% | 0.737 | S | S | * | * | trans | 51.8 | 169.5 | 149.1 | -82.6 | 133.5 | -139 | 0 | 0 | 124.2 | ||||
| 463 | E | 34.9 | Very low | 35.3 | Very low | 150 Ų | 150 | 131.1 Ų | 131.1 | 70% | 0.701 | 74% | 0.738 | S | S | * | * | cis | -143.8 | -118.4 | 0.8 | -139.1 | -107.9 | 151 | 0 | 0 | 117.8 | ||||
| 464 | L | 32 | Very low | 35.2 | Very low | 118 Ų | 118 | 136 Ų | 136 | 62% | 0.618 | 75% | 0.745 | S | S | * | * | trans | -158.4 | -170.7 | -146.4 | -130.8 | 64.7 | 0 | 0 | 0 | 115.1 | ||||
| 465 | K | 34.9 | Very low | 35.5 | Very low | 161 Ų | 161 | 134.2 Ų | 134.2 | 70% | 0.7 | 75% | 0.748 | S | S | * | * | cis | -173.6 | 149.4 | -0 | -151.3 | 179.4 | -143.6 | 148.3 | 0 | 116.7 | ||||
| 466 | T | 34 | Very low | 35 | Very low | 131 Ų | 131 | 131.2 Ų | 131.2 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | trans | 60.1 | 174.9 | 150.2 | 39.1 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 467 | A | 31.7 | Very low | 34.3 | Very low | 87 Ų | 87 | 127.7 Ų | 127.7 | 72% | 0.719 | 75% | 0.754 | S | S | * | * | -179.2 | 164.5 | -57.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 468 | V | 31.6 | Very low | 33.6 | Very low | 145 Ų | 145 | 128.9 Ų | 128.9 | 88% | 0.879 | 76% | 0.762 | S | S | * | * | trans | 89.6 | 168.3 | 156.3 | 176.6 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 469 | T | 32 | Very low | 33.2 | Very low | 125 Ų | 125 | 126.8 Ų | 126.8 | 77% | 0.767 | 77% | 0.766 | S | S | * | * | trans | -135.3 | 0 | -165.6 | 64.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 470 | P | 41.8 | Very low | 32.3 | Very low | 129 Ų | 129 | 127.8 Ų | 127.8 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | 0 | -134.1 | 0 | 45.4 | -20.2 | 0 | 0 | 0 | 118.4 | |||||
| 471 | A | 35 | Very low | 31.8 | Very low | 91 Ų | 91 | 130.2 Ų | 130.2 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | trans | -147.3 | 162.9 | -168.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 472 | P | 36.9 | Very low | 31 | Very low | 130 Ų | 130 | 129.5 Ų | 129.5 | 84% | 0.844 | 78% | 0.779 | S | S | * | * | trans | -164.5 | 169.9 | 134.8 | 42.2 | -21.9 | 0 | 0 | 0 | 122.4 | ||||
| 473 | A | 25.8 | Very low | 30.4 | Very low | 100 Ų | 100 | 129.3 Ų | 129.3 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | trans | 83.4 | 153.9 | 140.6 | 0 | 0 | 0 | 0 | 0 | 127.9 | ||||
| 474 | H | 35.4 | Very low | 29.8 | Very low | 188 Ų | 188 | 129.6 Ų | 129.6 | 87% | 0.87 | 78% | 0.779 | S | S | * | * | trans | -113.8 | 175.7 | 174.4 | -63.9 | -106.8 | 0 | 0 | 0 | 112.5 | ||||
| 475 | P | 34.2 | Very low | 29.5 | Very low | 132 Ų | 132 | 131.8 Ų | 131.8 | 86% | 0.857 | 79% | 0.792 | S | S | * | * | -164.3 | 174.4 | 99.2 | 42.8 | -22.4 | 0 | 0 | 0 | 120.5 | |||||
| 476 | G | 26.1 | Very low | 29.1 | Very low | 84 Ų | 84 | 132.2 Ų | 132.2 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | trans | 90.1 | 148.5 | 150.2 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 477 | G | 25.3 | Very low | 28.8 | Very low | 69 Ų | 69 | 132.6 Ų | 132.6 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | cis | 171.9 | 154.3 | -10.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 478 | D | 24 | Very low | 28.6 | Very low | 169 Ų | 169 | 137 Ų | 137 | 90% | 0.904 | 80% | 0.798 | S | S | * | * | trans | 51.3 | 154.4 | 152.5 | -55.1 | -14.5 | 0 | 0 | 0 | 123.1 | ||||
| 479 | A | 25.1 | Very low | 28.3 | Very low | 83 Ų | 83 | 134.2 Ų | 134.2 | 69% | 0.686 | 79% | 0.791 | S | S | * | * | cis | -168.6 | 154.2 | -20 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 480 | E | 24.1 | Very low | 28 | Very low | 176 Ų | 176 | 137.2 Ų | 137.2 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | trans | 51.2 | 147.6 | 148.7 | -65.3 | -173.4 | 144.4 | 0 | 0 | 127.7 | ||||
| 481 | H | 23.8 | Very low | 27.2 | Very low | 168 Ų | 168 | 135.9 Ų | 135.9 | 78% | 0.778 | 80% | 0.796 | S | S | * | * | trans | 69.1 | 154.9 | 155.3 | -84.7 | 20.8 | 0 | 0 | 0 | 121.6 | ||||
| 482 | D | 24 | Very low | 27 | Very low | 134 Ų | 134 | 137.4 Ų | 137.4 | 72% | 0.717 | 80% | 0.801 | S | S | * | * | cis | -168.6 | 179.9 | -36.8 | -157.2 | -0.7 | 0 | 0 | 0 | 110 | ||||
| 483 | E | 24.7 | Very low | 26.7 | Very low | 146 Ų | 146 | 135.8 Ų | 135.8 | 68% | 0.682 | 80% | 0.799 | S | S | * | * | trans | 88.8 | 133.9 | 156.9 | -58.1 | -144.2 | 102 | 0 | 0 | 123 | ||||
| 484 | Q | 24.3 | Very low | 27 | Very low | 155 Ų | 155 | 139.8 Ų | 139.8 | 72% | 0.724 | 80% | 0.8 | S | S | * | * | trans | 59.6 | 112.8 | 147.1 | -63.5 | 160.5 | 37.9 | 0 | 0 | 118.9 | ||||
| 485 | D | 25.3 | Very low | 26.9 | Very low | 164 Ų | 164 | 139.1 Ų | 139.1 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | cis | 86.9 | 128.8 | 43.1 | -160.1 | 20.5 | 0 | 0 | 0 | 114 | ||||
| 486 | E | 27 | Very low | 27 | Very low | 170 Ų | 170 | 137.7 Ų | 137.7 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | trans | -118.9 | 132.5 | -154.1 | -75.2 | -155.9 | 132.9 | 0 | 0 | 117.7 | ||||
| 487 | N | 27 | Very low | 28.2 | Very low | 139 Ų | 139 | 139.3 Ų | 139.3 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | trans | 33.7 | 97.4 | 143.9 | -73.3 | -52.9 | 0 | 0 | 0 | 122.4 | ||||
| 488 | H | 26.4 | Very low | 28.9 | Very low | 179 Ų | 179 | 145.2 Ų | 145.2 | 83% | 0.829 | 79% | 0.794 | S | S | * | * | 60.1 | 150.3 | 105.9 | -131.7 | -78.2 | 0 | 0 | 0 | 123.5 | |||||
| 489 | A | 25.3 | Very low | 29.8 | Very low | 87 Ų | 87 | 140.7 Ų | 140.7 | 72% | 0.719 | 79% | 0.787 | S | S | * | * | trans | 98.3 | 112.7 | 151.2 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 490 | E | 26.2 | Very low | 30.5 | Very low | 188 Ų | 188 | 141.8 Ų | 141.8 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | trans | -60 | 161.1 | 173.2 | -51.3 | 159.6 | 109.8 | 0 | 0 | 115.9 | ||||
| 491 | A | 26.3 | Very low | 31 | Very low | 101 Ų | 101 | 137.1 Ų | 137.1 | 84% | 0.835 | 77% | 0.771 | S | S | * | * | 172.8 | 163.2 | 111.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 492 | S | 30.2 | Very low | 31.9 | Very low | 123 Ų | 123 | 137.1 Ų | 137.1 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | trans | -72.2 | -173.6 | -179.1 | -47.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 493 | A | 30.6 | Very low | 32.7 | Very low | 97 Ų | 97 | 137.5 Ų | 137.5 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | cis | -161.7 | -174.9 | 20.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 494 | E | 30.9 | Very low | 33.6 | Very low | 183 Ų | 183 | 135.7 Ų | 135.7 | 86% | 0.855 | 77% | 0.767 | S | S | * | * | trans | -78 | 168.5 | 168.8 | -54.8 | -175.4 | 136.8 | 0 | 0 | 113.4 | ||||
| 495 | L | 33.8 | Very low | 34.8 | Very low | 175 Ų | 175 | 131.6 Ų | 131.6 | 92% | 0.916 | 75% | 0.75 | S | S | * | * | -162 | 177.9 | 127 | -113.8 | 175.5 | 0 | 0 | 0 | 113.9 | |||||
| 496 | S | 36.1 | Very low | 36 | Very low | 102 Ų | 102 | 131 Ų | 131 | 71% | 0.713 | 74% | 0.735 | S | S | * | * | trans | -111.7 | -161.4 | -169.6 | 73.9 | 0 | 0 | 0 | 0 | 114.1 | E498 | S496-E498 PolarHBondContact O-N 3.17Š| ||
| 497 | N | 52.4 | Low | 37 | Very low | 118 Ų | 118 | 126 Ų | 126 | 63% | 0.631 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -78.1 | 74.4 | -164 | -173.5 | 111.3 | 0 | 0 | 0 | 113.6 | K297 | K297-N497 PolarHBondContact NZ-OD1 3.28Š|
| 498 | E | 40.5 | Very low | 38.2 | Very low | 193 Ų | 193 | 120.2 Ų | 120.2 | 90% | 0.902 | 69% | 0.688 | S | S | * | * | trans | -137.1 | 157.5 | 155.4 | -71 | -160.9 | 125.6 | 0 | 0 | 109.9 | S496 | S496-E498 PolarHBondContact O-N 3.17Š| ||
| 499 | G | 41.5 | Very low | 39.5 | Very low | 73 Ų | 73 | 116.3 Ų | 116.3 | 75% | 0.753 | 67% | 0.67 | S | S | * | * | trans | 96.8 | 49.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | C501 | G499-C501 PolarHBondContact O-N 3.42Š| ||
| 500 | V | 39.8 | Very low | 41.1 | Very low | 106 Ų | 106 | 116 Ų | 116 | 64% | 0.642 | 67% | 0.668 | S | S | * | * | trans | -75.7 | 103.3 | 162.7 | 177.8 | 0 | 0 | 0 | 0 | 109.1 | L505 | V500-L505 HydrophobicContact CG1-CD1 4.4Å; V500-L505 HydrophobicContact CG1-CD2 4.08Å; V500-L505 HydrophobicContact CG1-CG 4.16Å | ||
| 501 | C | 36 | Very low | 43.2 | Very low | 79 Ų | 79 | 108.9 Ų | 108.9 | 53% | 0.534 | 63% | 0.633 | S | S | . | * | trans | -64.4 | 141.2 | 171.6 | -76.6 | 0 | 0 | 0 | 0 | 111.1 | G499 L503 D504 | G499-C501 PolarHBondContact O-N 3.42Å; C501-L503 PolarHBondContact O-N 2.85Å; C501-L503 VanDerWaalsContact O-N 3.07Å; C501-D504 PolarHBondContact O-N 3.47Å | ||
| 502 | Q | 41 | Very low | 45.6 | Very low | 167 Ų | 167 | 106.8 Ų | 106.8 | 78% | 0.78 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -9.2 | -173.6 | -161.5 | 170.2 | 4.1 | 0 | 0 | 113.9 | ||
| 503 | L | 41.7 | Very low | 47.9 | Very low | 142 Ų | 142 | 101.5 Ų | 101.5 | 74% | 0.743 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -45.8 | 179.3 | -76 | 75.3 | 0 | 0 | 0 | 112.5 | C501 L505 R506 | C501-L503 PolarHBondContact O-N 2.85Å; C501-L503 VanDerWaalsContact O-N 3.07Å; L503-L505 PolarHBondContact O-N 2.9Å; L503-L505 VanDerWaalsContact O-N 3.16Å; L503-R506 PolarHBondContact O-N 2.93Å; L503-R506 VanDerWaalsContact O-N 3.07Å |
| 504 | D | 44 | Very low | 49.9 | Very low | 109 Ų | 109 | 97.4 Ų | 97.4 | 58% | 0.583 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -68.3 | -18.8 | -173.2 | -66.4 | -49 | 0 | 0 | 0 | 113.8 | C501 R506 | C501-D504 PolarHBondContact O-N 3.47Å; D504-R506 PolarHBondContact O-N 3.45Å |
| 505 | L | 48.8 | Very low | 51.8 | Low | 69 Ų | 69 | 90 Ų | 90 | 36% | 0.361 | 51% | 0.506 | S | S | . | . | G | 310 helix | trans | -61.6 | -9.4 | 171.7 | -64.8 | 173.9 | 0 | 0 | 0 | 113.5 | V500 L503 | V500-L505 HydrophobicContact CG1-CD1 4.4Å; V500-L505 HydrophobicContact CG1-CD2 4.08Å; V500-L505 HydrophobicContact CG1-CG 4.16Å; L503-L505 PolarHBondContact O-N 2.9Å; L503-L505 VanDerWaalsContact O-N 3.16Å |
| 506 | R | 50.8 | Low | 53.7 | Low | 151 Ų | 151 | 85.7 Ų | 85.7 | 57% | 0.57 | 48% | 0.481 | S | S | * | . | G | 310 helix | trans | -126.5 | 14.7 | -174.2 | -78 | 175.1 | 166.5 | -108.7 | -7.1 | 115.6 | L503 D504 E508 E509 | L503-R506 PolarHBondContact O-N 2.93Å; L503-R506 VanDerWaalsContact O-N 3.07Å; D504-R506 PolarHBondContact O-N 3.45Å; R506-E508 PolarHBondContact O-N 3.16Å; R506-E509 HydrophobicContact CB-CG 4.36Å; R506-E509 WeakPolarHBondContact CD-OE2 3.49Å; R506-E509 IonicContact CZ-OE1 2.6Å; R506-E509 IonicContact CZ-OE2 2.71Å; R506-E509 IonicContact NE-OE2 2.61Å; R506-E509 IonicContact NH1-OE1 2.61Å; R506-E509 PolarHBondContact NH1-OE1 3.35Å; R506-E509 IonicContact NH1-OE2 3.33Å; R506-E509 PolarHBondContact NH1-OE2 3.48Å; R506-E509 IonicContact NH2-OE1 3.93Å; R506-E509 WeakPolarHBondContact O-CB 3.31Å; R506-E509 PolarHBondContact O-N 2.89Å |
| 507 | S | 47.6 | Very low | 55.7 | Low | 64 Ų | 64 | 85.7 Ų | 85.7 | 45% | 0.448 | 47% | 0.468 | S | S | . | . | G | 310 helix | trans | -48.7 | -33.5 | 176.3 | 169.5 | 0 | 0 | 0 | 0 | 114.1 | E509 A510 | S507-E509 PolarHBondContact O-N 3.41Å; S507-A510 PolarHBondContact O-N 2.85Å; S507-A510 VanDerWaalsContact O-N 3.13Å |
| 508 | E | 52.7 | Low | 57.1 | Low | 19 Ų | 19 | 81.8 Ų | 81.8 | 9% | 0.089 | 45% | 0.448 | C | S | . | . | G | 310 helix | trans | -58.4 | -29 | 174.6 | -67.5 | 167.1 | -116.8 | 0 | 0 | 114.5 | L224 Y292 R296 R506 A510 R511 R566 | L224-E508 HydrophobicContact CD2-CG 4.08Å; Y292-E508 WeakPolarHBondContact CE2-OE1 3.38Å; Y292-E508 VanDerWaalsContact CZ-OE1 3.29Å; Y292-E508 PolarHBondContact OH-OE1 3.33Å; R296-E508 IonicContact CZ-OE1 2.64Å; R296-E508 IonicContact NH2-OE1 3.67Å; R296-E508 PolarHBondContact NH2-OE1 2.85Å; R506-E508 PolarHBondContact O-N 3.16Å; E508-A510 VanDerWaalsContact C-N 3.25Å; E508-A510 PolarHBondContact O-N 2.98Å; E508-R511 PolarHBondContact O-N 3.35Å; E508-R566 IonicContact OE2-CZ 2.63Å; E508-R566 IonicContact OE2-NH1 3.48Å; E508-R566 PolarHBondContact OE2-NH1 3.01Å; E508-R566 IonicContact OE2-NH2 3.09Å |
| 509 | E | 53.8 | Low | 58.9 | Low | 96 Ų | 96 | 78.9 Ų | 78.9 | 45% | 0.449 | 43% | 0.434 | S | S | . | . | G | 310 helix | trans | -71.9 | -20 | 179.4 | -62 | -174.2 | 152.2 | 0 | 0 | 112.4 | R506 S507 R563 | R506-E509 HydrophobicContact CB-CG 4.36Å; R506-E509 WeakPolarHBondContact CD-OE2 3.49Å; R506-E509 IonicContact CZ-OE1 2.6Å; R506-E509 IonicContact CZ-OE2 2.71Å; R506-E509 IonicContact NE-OE2 2.61Å; R506-E509 IonicContact NH1-OE1 2.61Å; R506-E509 PolarHBondContact NH1-OE1 3.35Å; R506-E509 IonicContact NH1-OE2 3.33Å; R506-E509 PolarHBondContact NH1-OE2 3.48Å; R506-E509 IonicContact NH2-OE1 3.93Å; R506-E509 WeakPolarHBondContact O-CB 3.31Å; R506-E509 PolarHBondContact O-N 2.89Å; S507-E509 PolarHBondContact O-N 3.41Å; E509-R563 WeakPolarHBondContact O-CD 3.47Å; E509-R563 PolarHBondContact O-NH1 3.35Å |
| 510 | A | 59.4 | Low | 60.9 | Low | 82 Ų | 82 | 80 Ų | 80 | 68% | 0.678 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -88 | -10 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | S507 E508 | S507-A510 PolarHBondContact O-N 2.85Å; S507-A510 VanDerWaalsContact O-N 3.13Å; E508-A510 VanDerWaalsContact C-N 3.25Å; E508-A510 PolarHBondContact O-N 2.98Å |
| 511 | R | 70.2 | Confident | 63 | Low | 38 Ų | 38 | 75 Ų | 75 | 14% | 0.143 | 39% | 0.385 | C | S | . | . | trans | -70.6 | 142.9 | -170 | -65.7 | -167.8 | -169.6 | 173.7 | 11.1 | 114 | E87 E508 Y559 R563 | E87-R511 PolarHBondContact O-NH1 2.7Å; E87-R511 IonicContact OE2-CZ 2.68Å; E87-R511 IonicContact OE2-NH2 3.67Å; E87-R511 PolarHBondContact OE2-NH2 2.87Å; E508-R511 PolarHBondContact O-N 3.35Å; R511-Y559 HydrophobicContact CB-CD1 4.08Å; R511-Y559 HydrophobicContact CB-CD2 4.45Å; R511-Y559 HydrophobicContact CB-CE1 4.39Å; R511-Y559 HydrophobicContact CB-CG 4.12Å; R511-R563 VanDerWaalsContact O-CZ 3.27Å; R511-R563 PolarHBondContact O-NH1 3.07Å; R511-R563 PolarHBondContact O-NH2 3.02Å | ||
| 512 | V | 76.1 | Confident | 65.3 | Low | 56 Ų | 56 | 76.2 Ų | 76.2 | 34% | 0.339 | 38% | 0.381 | S | S | . | . | trans | -134.1 | 149.7 | 179.4 | -74.9 | 0 | 0 | 0 | 0 | 108.3 | Q516 K517 | V512-Q516 HydrophobicContact CB-CB 4.05Å; V512-K517 HydrophobicContact CG2-CG 3.73Å; V512-K517 WeakPolarHBondContact O-CE 3.19Å | ||
| 513 | T | 77.9 | Confident | 67.4 | Low | 12 Ų | 12 | 73.7 Ų | 73.7 | 7% | 0.074 | 37% | 0.368 | C | S | . | . | trans | -66.6 | 158.6 | -179.6 | 51.7 | 0 | 0 | 0 | 0 | 111.5 | D198 A515 Q516 K517 D557 Y559 | D198-T513 HydrophobicContact CB-CG2 4.03Å; D198-T513 VanDerWaalsContact CG-CB 3.47Å; D198-T513 WeakPolarHBondContact OD1-CA 3.4Å; D198-T513 WeakPolarHBondContact OD2-CA 3.42Å; D198-T513 VanDerWaalsContact OD2-CB 3.22Å; D198-T513 WeakPolarHBondContact OD2-CB 3.35Å; T513-A515 PolarHBondContact O-N 3.17Å; T513-Q516 CarbonylContact O-C 3.54Å; T513-Q516 WeakPolarHBondContact O-CA 3.18Å; T513-Q516 WeakPolarHBondContact O-CB 3.35Å; T513-Q516 PolarHBondContact O-N 3.37Å; T513-Q516 WeakPolarHBondContact OG1-CG 3.33Å; T513-K517 PolarHBondContact O-N 2.85Å; T513-D557 HydrophobicContact CG2-CB 4.1Å; T513-Y559 HydrophobicContact CG2-CD2 3.81Å; T513-Y559 HydrophobicContact CG2-CE2 4.05Å | ||
| 514 | E | 73 | Confident | 69.5 | Low | 11 Ų | 11 | 67.2 Ų | 67.2 | 5% | 0.051 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -58.9 | -37.8 | 173.8 | -170.6 | 62.5 | -162.8 | 0 | 0 | 110.4 | K194 I195 D198 Q516 K517 N518 V521 | K194-E514 HydrophobicContact CB-CB 4.36Å; K194-E514 HydrophobicContact CB-CG 4.07Å; K194-E514 HydrophobicContact CD-CG 4.25Å; K194-E514 IonicContact NZ-OE1 2.71Å; I195-E514 HydrophobicContact CG1-CG 4.47Å; D198-E514 PolarHBondContact OD2-N 3.07Å; E514-Q516 PolarHBondContact O-N 3.25Å; E514-K517 PolarHBondContact O-N 3.24Å; E514-K517 VanDerWaalsContact O-N 3.17Å; E514-K517 WeakPolarHBondContact OE2-CD 3.45Å; E514-N518 HydrophobicContact CG-CB 4.23Å; E514-N518 VanDerWaalsContact O-CB 3.23Å; E514-N518 WeakPolarHBondContact O-CB 3.3Å; E514-N518 PolarHBondContact O-N 2.92Å; E514-N518 WeakPolarHBondContact OE1-CB 3.46Å; E514-N518 PolarHBondContact OE1-ND2 3.45Å; E514-V521 HydrophobicContact CG-CG2 4.49Å |
| 515 | A | 71.1 | Confident | 71.5 | Confident | 27 Ų | 27 | 63.3 Ų | 63.3 | 22% | 0.223 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.3 | -3.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 115 | T513 K522 L525 | T513-A515 PolarHBondContact O-N 3.17Å; A515-K522 WeakPolarHBondContact O-CB 3.29Å; A515-K522 WeakPolarHBondContact O-CG 3.48Å; A515-L525 HydrophobicContact CB-CD1 3.95Å |
| 516 | Q | 73.9 | Confident | 73.3 | Confident | 85 Ų | 85 | 65.8 Ų | 65.8 | 40% | 0.397 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -110.1 | -34.1 | 169.1 | -72.1 | 168.8 | 16.5 | 0 | 0 | 112.3 | V512 T513 E514 D557 | V512-Q516 HydrophobicContact CB-CB 4.05Å; T513-Q516 CarbonylContact O-C 3.54Å; T513-Q516 WeakPolarHBondContact O-CA 3.18Å; T513-Q516 WeakPolarHBondContact O-CB 3.35Å; T513-Q516 PolarHBondContact O-N 3.37Å; T513-Q516 WeakPolarHBondContact OG1-CG 3.33Å; E514-Q516 PolarHBondContact O-N 3.25Å; Q516-D557 PolarHBondContact NE2-OD2 3.17Å |
| 517 | K | 77.6 | Confident | 75 | Confident | 102 Ų | 102 | 61.7 Ų | 61.7 | 44% | 0.443 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.5 | -38.6 | 172.5 | -64.5 | 177.9 | -175.5 | 175.9 | 0 | 112.2 | D88 V512 T513 E514 | D88-K517 IonicContact OD2-NZ 3.84Å; D88-K517 PolarHBondContact OD2-NZ 2.95Å; V512-K517 HydrophobicContact CG2-CG 3.73Å; V512-K517 WeakPolarHBondContact O-CE 3.19Å; T513-K517 PolarHBondContact O-N 2.85Å; E514-K517 PolarHBondContact O-N 3.24Å; E514-K517 VanDerWaalsContact O-N 3.17Å; E514-K517 WeakPolarHBondContact OE2-CD 3.45Å |
| 518 | N | 81.4 | Confident | 76.8 | Confident | 37 Ų | 37 | 58.7 Ų | 58.7 | 20% | 0.198 | 29% | 0.293 | C | S | . | . | trans | -122.3 | 102.7 | -160.3 | -172 | -24.5 | 0 | 0 | 0 | 110.8 | E191 E514 R520 V521 K522 | E191-N518 PolarHBondContact OE1-ND2 2.95Å; E514-N518 HydrophobicContact CG-CB 4.23Å; E514-N518 VanDerWaalsContact O-CB 3.23Å; E514-N518 WeakPolarHBondContact O-CB 3.3Å; E514-N518 PolarHBondContact O-N 2.92Å; E514-N518 WeakPolarHBondContact OE1-CB 3.46Å; E514-N518 PolarHBondContact OE1-ND2 3.45Å; N518-R520 PolarHBondContact O-N 2.96Å; N518-R520 WeakPolarHBondContact OD1-CB 3.3Å; N518-R520 PolarHBondContact OD1-N 3.43Å; N518-V521 HydrophobicContact CB-CB 4.27Å; N518-V521 HydrophobicContact CB-CG2 4.26Å; N518-V521 PolarHBondContact O-N 3.42Å; N518-V521 PolarHBondContact OD1-N 2.86Å; N518-K522 PolarHBondContact O-N 3.41Å; N518-K522 VanDerWaalsContact O-N 3.1Å | ||
| 519 | E | 79.4 | Confident | 78.4 | Confident | 131 Ų | 131 | 60.4 Ų | 60.4 | 61% | 0.612 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -59.7 | -27.3 | -179.4 | -77.1 | -153.7 | 173.2 | 0 | 0 | 113.7 | K523 | E519-K523 WeakPolarHBondContact O-CB 3.45Å; E519-K523 WeakPolarHBondContact O-CD 3.32Å; E519-K523 VanDerWaalsContact O-CG 3.22Å; E519-K523 WeakPolarHBondContact O-CG 3.43Å; E519-K523 PolarHBondContact O-N 2.85Å; E519-K523 WeakPolarHBondContact OE2-CE 3.47Å; E519-K523 IonicContact OE2-NZ 2.69Å; E519-K523 PolarHBondContact OE2-NZ 3.28Å |
| 520 | R | 83.7 | Confident | 80 | Confident | 98 Ų | 98 | 59.6 Ų | 59.6 | 37% | 0.37 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67.1 | -57.3 | 178.3 | -173 | -175.5 | -177.3 | -173.3 | 2 | 109.7 | E179 N518 K522 K523 Q524 | E179-R520 VanDerWaalsContact CD-NH2 3.3Å; E179-R520 PolarHBondContact O-NH2 3.12Å; E179-R520 IonicContact OE1-CZ 2.68Å; E179-R520 IonicContact OE1-NE 2.75Å; E179-R520 PolarHBondContact OE1-NE 3.38Å; E179-R520 IonicContact OE1-NH2 3.26Å; E179-R520 PolarHBondContact OE1-NH2 2.91Å; N518-R520 PolarHBondContact O-N 2.96Å; N518-R520 WeakPolarHBondContact OD1-CB 3.3Å; N518-R520 PolarHBondContact OD1-N 3.43Å; R520-K522 PolarHBondContact O-N 2.86Å; R520-K523 PolarHBondContact O-N 2.96Å; R520-Q524 HydrophobicContact CG-CG 4.36Å; R520-Q524 VanDerWaalsContact O-CG 3.31Å; R520-Q524 WeakPolarHBondContact O-CG 3.42Å; R520-Q524 PolarHBondContact O-N 2.91Å |
| 521 | V | 82.4 | Confident | 81.1 | Confident | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.006 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -54.7 | -41.2 | 177.9 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | L125 I195 E514 N518 Q524 L525 | L125-V521 HydrophobicContact CD2-CG1 4.23Å; I195-V521 HydrophobicContact CD1-CG1 4.01Å; I195-V521 HydrophobicContact CD1-CG2 4.22Å; I195-V521 HydrophobicContact CG1-CG1 4.02Å; E514-V521 HydrophobicContact CG-CG2 4.49Å; N518-V521 HydrophobicContact CB-CB 4.27Å; N518-V521 HydrophobicContact CB-CG2 4.26Å; N518-V521 PolarHBondContact O-N 3.42Å; N518-V521 PolarHBondContact OD1-N 2.86Å; V521-Q524 PolarHBondContact O-N 2.91Å; V521-L525 HydrophobicContact CG1-CD1 4.02Å; V521-L525 HydrophobicContact CG1-CG 4.49Å; V521-L525 WeakPolarHBondContact O-CB 3.32Å; V521-L525 WeakPolarHBondContact O-CG 3.42Å; V521-L525 PolarHBondContact O-N 3.43Å |
| 522 | K | 84 | Confident | 81.8 | Confident | 104 Ų | 104 | 57.2 Ų | 57.2 | 45% | 0.452 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.7 | -48.1 | 174.8 | -171.1 | -178.6 | 176.8 | -175.4 | 0 | 112.8 | A515 N518 R520 Q526 | A515-K522 WeakPolarHBondContact O-CB 3.29Å; A515-K522 WeakPolarHBondContact O-CG 3.48Å; N518-K522 PolarHBondContact O-N 3.41Å; N518-K522 VanDerWaalsContact O-N 3.1Å; R520-K522 PolarHBondContact O-N 2.86Å; K522-Q526 WeakPolarHBondContact O-CG 3.39Å; K522-Q526 PolarHBondContact O-N 3.29Å; K522-Q526 VanDerWaalsContact O-N 3.1Å |
| 523 | K | 86.3 | Confident | 82 | Confident | 113 Ų | 113 | 57.4 Ų | 57.4 | 49% | 0.491 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.7 | -42.1 | 179 | -71 | 163.1 | -167.6 | 166.8 | 0 | 111.3 | E519 R520 L525 Q526 T527 | E519-K523 WeakPolarHBondContact O-CB 3.45Å; E519-K523 WeakPolarHBondContact O-CD 3.32Å; E519-K523 VanDerWaalsContact O-CG 3.22Å; E519-K523 WeakPolarHBondContact O-CG 3.43Å; E519-K523 PolarHBondContact O-N 2.85Å; E519-K523 WeakPolarHBondContact OE2-CE 3.47Å; E519-K523 IonicContact OE2-NZ 2.69Å; E519-K523 PolarHBondContact OE2-NZ 3.28Å; R520-K523 PolarHBondContact O-N 2.96Å; K523-L525 PolarHBondContact O-N 3.08Å; K523-Q526 PolarHBondContact O-N 2.68Å; K523-T527 PolarHBondContact O-N 3.01Å; K523-T527 PolarHBondContact O-OG1 3.44Å; K523-T527 VanDerWaalsContact O-OG1 3.13Å |
| 524 | Q | 85.9 | Confident | 82 | Confident | 6 Ų | 6 | 64 Ų | 64 | 3% | 0.028 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.5 | -48.8 | 175.7 | -67.2 | 174.2 | -45.5 | 0 | 0 | 111.7 | L125 W176 E179 R520 V521 Q526 T527 L528 | L125-Q524 HydrophobicContact CD1-CB 4.24Å; L125-Q524 HydrophobicContact CD2-CB 4.24Å; W176-Q524 HydrophobicContact CE3-CG 4.42Å; W176-Q524 HydrophobicContact CH2-CB 4.49Å; W176-Q524 HydrophobicContact CZ3-CB 3.99Å; W176-Q524 HydrophobicContact CZ3-CG 3.81Å; E179-Q524 VanDerWaalsContact CD-NE2 3.26Å; E179-Q524 PolarHBondContact OE1-NE2 3.38Å; E179-Q524 PolarHBondContact OE2-NE2 3.02Å; R520-Q524 HydrophobicContact CG-CG 4.36Å; R520-Q524 VanDerWaalsContact O-CG 3.31Å; R520-Q524 WeakPolarHBondContact O-CG 3.42Å; R520-Q524 PolarHBondContact O-N 2.91Å; V521-Q524 PolarHBondContact O-N 2.91Å; Q524-Q526 VanDerWaalsContact C-N 3.34Å; Q524-Q526 PolarHBondContact O-N 3.27Å; Q524-T527 PolarHBondContact O-N 3.47Å; Q524-L528 WeakPolarHBondContact O-CB 3.28Å; Q524-L528 PolarHBondContact O-N 3.43Å |
| 525 | L | 85.6 | Confident | 82.3 | Confident | 27 Ų | 27 | 64 Ų | 64 | 14% | 0.141 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.3 | -36.9 | 176.5 | -70.9 | 171.5 | 0 | 0 | 0 | 112.8 | E121 L125 A515 V521 K523 S529 | E121-L525 HydrophobicContact CB-CD2 4.45Å; E121-L525 HydrophobicContact CG-CD2 4.39Å; L125-L525 HydrophobicContact CB-CD2 4.31Å; L125-L525 HydrophobicContact CD2-CD2 3.72Å; L125-L525 HydrophobicContact CD2-CG 3.84Å; A515-L525 HydrophobicContact CB-CD1 3.95Å; V521-L525 HydrophobicContact CG1-CD1 4.02Å; V521-L525 HydrophobicContact CG1-CG 4.49Å; V521-L525 WeakPolarHBondContact O-CB 3.32Å; V521-L525 WeakPolarHBondContact O-CG 3.42Å; V521-L525 PolarHBondContact O-N 3.43Å; K523-L525 PolarHBondContact O-N 3.08Å; L525-S529 WeakPolarHBondContact O-CB 3.39Å; L525-S529 PolarHBondContact O-N 3.38Å |
| 526 | Q | 86.3 | Confident | 82.8 | Confident | 121 Ų | 121 | 65.8 Ų | 65.8 | 57% | 0.565 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -66.9 | -44.3 | 176 | -74.4 | 179.8 | -47.1 | 0 | 0 | 112.3 | K522 K523 Q524 S529 S530 | K522-Q526 WeakPolarHBondContact O-CG 3.39Å; K522-Q526 PolarHBondContact O-N 3.29Å; K522-Q526 VanDerWaalsContact O-N 3.1Å; K523-Q526 PolarHBondContact O-N 2.68Å; Q524-Q526 VanDerWaalsContact C-N 3.34Å; Q524-Q526 PolarHBondContact O-N 3.27Å; Q526-S529 PolarHBondContact O-N 2.89Å; Q526-S530 PolarHBondContact O-N 3.45Å; Q526-S530 VanDerWaalsContact O-N 3.17Å |
| 527 | T | 87.5 | Confident | 83.2 | Confident | 65 Ų | 65 | 62.7 Ų | 62.7 | 40% | 0.399 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.4 | -49 | 174.4 | -56.1 | 0 | 0 | 0 | 0 | 110.9 | W176 K523 Q524 S529 S530 E531 | W176-T527 HydrophobicContact CH2-CG2 3.84Å; W176-T527 HydrophobicContact CZ2-CG2 3.84Å; K523-T527 PolarHBondContact O-N 3.01Å; K523-T527 PolarHBondContact O-OG1 3.44Å; K523-T527 VanDerWaalsContact O-OG1 3.13Å; Q524-T527 PolarHBondContact O-N 3.47Å; T527-S529 VanDerWaalsContact C-N 3.33Å; T527-S529 PolarHBondContact O-N 2.89Å; T527-S530 WeakPolarHBondContact O-CB 3.35Å; T527-S530 PolarHBondContact O-N 3.07Å; T527-S530 VanDerWaalsContact O-N 3.08Å; T527-E531 HydrophobicContact CG2-CG 4.33Å; T527-E531 WeakPolarHBondContact CG2-OE1 3.46Å; T527-E531 WeakPolarHBondContact O-CG 3.34Å; T527-E531 PolarHBondContact O-N 2.92Å |
| 528 | L | 85.6 | Confident | 83.2 | Confident | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -57.6 | -42.3 | 176.5 | -85.3 | 164.8 | 0 | 0 | 0 | 113 | E121 V124 L125 W176 Q524 S530 E531 L532 | E121-L528 HydrophobicContact CB-CB 3.93Å; V124-L528 HydrophobicContact CB-CD1 4.48Å; V124-L528 HydrophobicContact CB-CD2 3.87Å; V124-L528 HydrophobicContact CG1-CD2 3.51Å; L125-L528 HydrophobicContact CB-CD1 3.73Å; L125-L528 HydrophobicContact CD1-CD1 4.43Å; W176-L528 HydrophobicContact CD2-CD1 4.4Å; W176-L528 HydrophobicContact CD2-CG 4.4Å; W176-L528 HydrophobicContact CH2-CG 4.49Å; W176-L528 HydrophobicContact CZ2-CD1 4.43Å; W176-L528 HydrophobicContact CZ2-CD2 4.16Å; W176-L528 HydrophobicContact CZ2-CG 3.72Å; Q524-L528 WeakPolarHBondContact O-CB 3.28Å; Q524-L528 PolarHBondContact O-N 3.43Å; L528-S530 VanDerWaalsContact C-N 3.28Å; L528-S530 PolarHBondContact O-N 2.64Å; L528-E531 PolarHBondContact O-N 3.19Å; L528-L532 VanDerWaalsContact O-CB 3.28Å; L528-L532 WeakPolarHBondContact O-CB 3.47Å; L528-L532 WeakPolarHBondContact O-CD1 3.37Å; L528-L532 WeakPolarHBondContact O-CG 3.31Å; L528-L532 PolarHBondContact O-N 2.91Å |
| 529 | S | 85.8 | Confident | 83 | Confident | 55 Ų | 55 | 67.5 Ų | 67.5 | 39% | 0.385 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.6 | -39.2 | 176.7 | -160.8 | 0 | 0 | 0 | 0 | 111.4 | L525 Q526 T527 A533 | L525-S529 WeakPolarHBondContact O-CB 3.39Å; L525-S529 PolarHBondContact O-N 3.38Å; Q526-S529 PolarHBondContact O-N 2.89Å; T527-S529 VanDerWaalsContact C-N 3.33Å; T527-S529 PolarHBondContact O-N 2.89Å; S529-A533 WeakPolarHBondContact O-CB 3.43Å; S529-A533 PolarHBondContact O-N 2.93Å; S529-A533 VanDerWaalsContact O-N 3.1Å |
| 530 | S | 85.9 | Confident | 83.1 | Confident | 80 Ų | 80 | 66 Ų | 66 | 56% | 0.559 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -68.3 | -49 | 173.9 | -161.8 | 0 | 0 | 0 | 0 | 112.5 | Q526 T527 L528 L532 A533 | Q526-S530 PolarHBondContact O-N 3.45Å; Q526-S530 VanDerWaalsContact O-N 3.17Å; T527-S530 WeakPolarHBondContact O-CB 3.35Å; T527-S530 PolarHBondContact O-N 3.07Å; T527-S530 VanDerWaalsContact O-N 3.08Å; L528-S530 VanDerWaalsContact C-N 3.28Å; L528-S530 PolarHBondContact O-N 2.64Å; S530-L532 PolarHBondContact O-N 3.35Å; S530-A533 PolarHBondContact O-N 3.23Å |
| 531 | E | 84.4 | Confident | 83 | Confident | 64 Ų | 64 | 64.7 Ų | 64.7 | 30% | 0.299 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.9 | -29.5 | 179.8 | -72.4 | 177.3 | -176.9 | 0 | 0 | 113.2 | R172 W176 T527 L528 | R172-E531 VanDerWaalsContact NH1-C 3.33Å; R172-E531 PolarHBondContact NH1-O 2.93Å; R172-E531 PolarHBondContact NH2-O 3.43Å; W176-E531 PolarHBondContact NE1-OE2 3.18Å; T527-E531 HydrophobicContact CG2-CG 4.33Å; T527-E531 WeakPolarHBondContact CG2-OE1 3.46Å; T527-E531 WeakPolarHBondContact O-CG 3.34Å; T527-E531 PolarHBondContact O-N 2.92Å; L528-E531 PolarHBondContact O-N 3.19Å |
| 532 | L | 82.9 | Confident | 83 | Confident | 6 Ų | 6 | 66.9 Ų | 66.9 | 3% | 0.031 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -88 | -28.4 | -179.5 | -68.3 | 169.3 | 0 | 0 | 0 | 112.5 | P120 E121 V124 L164 W169 L528 S530 D534 A535 R536 | P120-L532 HydrophobicContact CB-CD1 4.02Å; E121-L532 HydrophobicContact CB-CD1 4.19Å; V124-L532 HydrophobicContact CG2-CD1 4.19Å; L164-L532 HydrophobicContact CD1-CD2 4.49Å; W169-L532 HydrophobicContact CH2-CD2 3.61Å; W169-L532 HydrophobicContact CZ3-CD2 3.59Å; L528-L532 VanDerWaalsContact O-CB 3.28Å; L528-L532 WeakPolarHBondContact O-CB 3.47Å; L528-L532 WeakPolarHBondContact O-CD1 3.37Å; L528-L532 WeakPolarHBondContact O-CG 3.31Å; L528-L532 PolarHBondContact O-N 2.91Å; S530-L532 PolarHBondContact O-N 3.35Å; L532-D534 VanDerWaalsContact C-N 3.34Å; L532-D534 PolarHBondContact O-N 3.22Å; L532-A535 PolarHBondContact O-N 2.94Å; L532-A535 VanDerWaalsContact O-N 3.14Å; L532-R536 PolarHBondContact O-N 3.14Å; L532-R536 VanDerWaalsContact O-N 3.11Å |
| 533 | A | 81.4 | Confident | 83 | Confident | 59 Ų | 59 | 67.4 Ų | 67.4 | 49% | 0.488 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -55.9 | -46.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S529 S530 A535 R536 | S529-A533 WeakPolarHBondContact O-CB 3.43Å; S529-A533 PolarHBondContact O-N 2.93Å; S529-A533 VanDerWaalsContact O-N 3.1Å; S530-A533 PolarHBondContact O-N 3.23Å; A533-A535 PolarHBondContact O-N 2.88Å; A533-A535 VanDerWaalsContact O-N 3.15Å; A533-R536 WeakPolarHBondContact O-CB 3.34Å; A533-R536 PolarHBondContact O-N 3.45Å |
| 534 | D | 78.5 | Confident | 82.9 | Confident | 151 Ų | 151 | 64.4 Ų | 64.4 | 81% | 0.807 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -25.5 | 179.8 | -66 | -25.6 | 0 | 0 | 0 | 113.7 | L532 | L532-D534 VanDerWaalsContact C-N 3.34Å; L532-D534 PolarHBondContact O-N 3.22Å |
| 535 | A | 78.3 | Confident | 82.9 | Confident | 12 Ų | 12 | 64.2 Ų | 64.2 | 10% | 0.099 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | -0.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | H162 K163 L164 L532 A533 | H162-A535 CarbonylContact C-O 3.58Å; H162-A535 VanDerWaalsContact CA-O 3.29Å; H162-A535 WeakPolarHBondContact CA-O 3.49Å; K163-A535 PolarHBondContact N-O 3.43Å; L164-A535 HydrophobicContact CD1-CB 4.08Å; L164-A535 HydrophobicContact CD2-CB 3.77Å; L164-A535 HydrophobicContact CG-CB 3.81Å; L532-A535 PolarHBondContact O-N 2.94Å; L532-A535 VanDerWaalsContact O-N 3.14Å; A533-A535 PolarHBondContact O-N 2.88Å; A533-A535 VanDerWaalsContact O-N 3.15Å |
| 536 | R | 81.8 | Confident | 82.9 | Confident | 64 Ų | 64 | 67 Ų | 67 | 24% | 0.242 | 36% | 0.364 | C | S | . | . | B | Isolated β-bridge | trans | -77.4 | 134.7 | -171.7 | -163.8 | 175.9 | -166.2 | 161.9 | 6.2 | 112.1 | L532 A533 D545 | L532-R536 PolarHBondContact O-N 3.14Å; L532-R536 VanDerWaalsContact O-N 3.11Å; A533-R536 WeakPolarHBondContact O-CB 3.34Å; A533-R536 PolarHBondContact O-N 3.45Å; R536-D545 IonicContact NH2-OD1 3.87Å |
| 537 | D | 81.8 | Confident | 82.9 | Confident | 20 Ų | 20 | 63.2 Ų | 63.2 | 11% | 0.107 | 35% | 0.347 | C | S | . | . | trans | -94 | 100.3 | 169.4 | -158 | -31.1 | 0 | 0 | 0 | 110.8 | Q161 K163 T539 K540 | Q161-D537 WeakPolarHBondContact O-CB 3.31Å; Q161-D537 PolarHBondContact O-N 2.83Å; K163-D537 VanDerWaalsContact CE-CG 3.44Å; K163-D537 WeakPolarHBondContact CE-OD2 3.49Å; K163-D537 IonicContact NZ-OD1 3.24Å; K163-D537 IonicContact NZ-OD2 3.66Å; K163-D537 PolarHBondContact NZ-OD2 3.29Å; D537-T539 PolarHBondContact O-N 3.41Å; D537-T539 VanDerWaalsContact O-N 3.1Å; D537-T539 WeakPolarHBondContact OD1-CB 3.32Å; D537-T539 PolarHBondContact OD1-N 2.97Å; D537-T539 PolarHBondContact OD1-OG1 3.4Å; D537-K540 HydrophobicContact CB-CD 4.19Å; D537-K540 HydrophobicContact CB-CG 4.21Å; D537-K540 PolarHBondContact O-N 3.03Å; D537-K540 VanDerWaalsContact O-N 3.08Å | ||
| 538 | E | 77.6 | Confident | 82.8 | Confident | 117 Ų | 117 | 61.2 Ų | 61.2 | 55% | 0.547 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -52.7 | -29.1 | 175.8 | -71.6 | -66 | 115.4 | 0 | 0 | 113.2 | K540 K541 | E538-K540 PolarHBondContact O-N 3.18Å; E538-K541 WeakPolarHBondContact OE1-CE 3.35Å; E538-K541 IonicContact OE1-NZ 3.98Å; E538-K541 PolarHBondContact OE1-NZ 3.49Å; E538-K541 WeakPolarHBondContact OE2-CE 3.3Å; E538-K541 IonicContact OE2-NZ 3.57Å; E538-K541 PolarHBondContact OE2-NZ 3.26Å |
| 539 | T | 77.8 | Confident | 82.8 | Confident | 122 Ų | 122 | 63.3 Ų | 63.3 | 75% | 0.748 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -72.7 | -12.5 | -178.3 | 68.5 | 0 | 0 | 0 | 0 | 114 | D537 | D537-T539 PolarHBondContact O-N 3.41Å; D537-T539 VanDerWaalsContact O-N 3.1Å; D537-T539 WeakPolarHBondContact OD1-CB 3.32Å; D537-T539 PolarHBondContact OD1-N 2.97Å; D537-T539 PolarHBondContact OD1-OG1 3.4Å |
| 540 | K | 82.2 | Confident | 82.9 | Confident | 99 Ų | 99 | 64 Ų | 64 | 43% | 0.43 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -111.3 | 8.9 | -173.4 | -60 | -174.1 | -173.8 | -174.8 | 0 | 114.5 | E160 Q161 D537 E538 T542 | E160-K540 WeakPolarHBondContact O-CD 3.41Å; E160-K540 WeakPolarHBondContact O-CE 3.35Å; E160-K540 PolarHBondContact O-NZ 3.18Å; Q161-K540 HydrophobicContact CG-CB 3.9Å; Q161-K540 WeakPolarHBondContact CG-O 3.43Å; Q161-K540 PolarHBondContact NE2-O 2.75Å; D537-K540 HydrophobicContact CB-CD 4.19Å; D537-K540 HydrophobicContact CB-CG 4.21Å; D537-K540 PolarHBondContact O-N 3.03Å; D537-K540 VanDerWaalsContact O-N 3.08Å; E538-K540 PolarHBondContact O-N 3.18Å; K540-T542 PolarHBondContact O-N 2.89Å |
| 541 | K | 80.6 | Confident | 82.9 | Confident | 71 Ų | 71 | 60.8 Ų | 60.8 | 31% | 0.309 | 32% | 0.324 | S | S | . | . | trans | -59.3 | 129.1 | 176 | -75.3 | 178.7 | 171.3 | 170.6 | 0 | 110.7 | E538 D545 V546 | E538-K541 WeakPolarHBondContact OE1-CE 3.35Å; E538-K541 IonicContact OE1-NZ 3.98Å; E538-K541 PolarHBondContact OE1-NZ 3.49Å; E538-K541 WeakPolarHBondContact OE2-CE 3.3Å; E538-K541 IonicContact OE2-NZ 3.57Å; E538-K541 PolarHBondContact OE2-NZ 3.26Å; K541-D545 HydrophobicContact CB-CB 4.23Å; K541-D545 HydrophobicContact CG-CB 4.39Å; K541-V546 HydrophobicContact CB-CG2 4.34Å | ||
| 542 | T | 83.9 | Confident | 83 | Confident | 47 Ų | 47 | 61.9 Ų | 61.9 | 29% | 0.288 | 34% | 0.335 | S | S | . | . | trans | -80.6 | 165.4 | 171.4 | 69.4 | 0 | 0 | 0 | 0 | 110.7 | R157 K540 N544 D545 V546 | R157-T542 HydrophobicContact CG-CG2 3.84Å; K540-T542 PolarHBondContact O-N 2.89Å; T542-N544 PolarHBondContact O-N 2.86Å; T542-N544 PolarHBondContact OG1-N 3.15Å; T542-D545 WeakPolarHBondContact CB-OD2 3.49Å; T542-D545 PolarHBondContact N-OD2 2.97Å; T542-D545 WeakPolarHBondContact O-CB 3.43Å; T542-D545 PolarHBondContact O-N 2.86Å; T542-D545 PolarHBondContact OG1-N 2.86Å; T542-D545 PolarHBondContact OG1-OD2 3.38Å; T542-V546 PolarHBondContact O-N 3.28Å | ||
| 543 | Q | 84 | Confident | 83.2 | Confident | 116 Ų | 116 | 68.8 Ų | 68.8 | 54% | 0.542 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -53.1 | -38.7 | 172.3 | -176.5 | 170.2 | 1.6 | 0 | 0 | 112.1 | E232 V546 L547 | E232-Q543 PolarHBondContact O-NE2 2.88Å; Q543-V546 PolarHBondContact O-N 3.04Å; Q543-L547 HydrophobicContact CG-CD1 4.11Å; Q543-L547 WeakPolarHBondContact O-CG 3.41Å; Q543-L547 PolarHBondContact O-N 3.02Å |
| 544 | N | 84.1 | Confident | 83.3 | Confident | 50 Ų | 50 | 70.6 Ų | 70.6 | 27% | 0.267 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -67.5 | -35.9 | 177.1 | -66.2 | -8.7 | 0 | 0 | 0 | 112.5 | Y117 L235 T542 V546 H548 | Y117-N544 HydrophobicContact CD2-CB 3.43Å; Y117-N544 VanDerWaalsContact CD2-CB 3.43Å; Y117-N544 HydrophobicContact CE2-CB 3.67Å; Y117-N544 HydrophobicContact CG-CB 4Å; L235-N544 HydrophobicContact CD1-CB 4.2Å; L235-N544 WeakPolarHBondContact CD1-O 3.38Å; T542-N544 PolarHBondContact O-N 2.86Å; T542-N544 PolarHBondContact OG1-N 3.15Å; N544-V546 VanDerWaalsContact C-N 3.33Å; N544-V546 PolarHBondContact O-N 2.79Å; N544-H548 VanDerWaalsContact O-CB 3.28Å; N544-H548 WeakPolarHBondContact O-CB 3.42Å; N544-H548 PolarHBondContact O-N 3.07Å |
| 545 | D | 84.8 | Confident | 83.5 | Confident | 1 Ų | 1 | 65.3 Ų | 65.3 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.2 | -40.2 | 174.2 | -65.8 | -83.1 | 0 | 0 | 0 | 111.9 | R157 Q161 R536 K541 T542 A549 | R157-D545 IonicContact CZ-OD1 2.91Å; R157-D545 IonicContact CZ-OD2 3.91Å; R157-D545 IonicContact NH1-OD1 2.87Å; R157-D545 PolarHBondContact NH1-OD1 2.83Å; R157-D545 IonicContact NH1-OD2 3.24Å; R157-D545 PolarHBondContact NH1-OD2 2.71Å; R157-D545 IonicContact NH2-OD1 3.58Å; Q161-D545 PolarHBondContact NE2-OD2 3.03Å; Q161-D545 PolarHBondContact OE1-OD1 3.49Å; R536-D545 IonicContact NH2-OD1 3.87Å; K541-D545 HydrophobicContact CB-CB 4.23Å; K541-D545 HydrophobicContact CG-CB 4.39Å; T542-D545 WeakPolarHBondContact CB-OD2 3.49Å; T542-D545 PolarHBondContact N-OD2 2.97Å; T542-D545 WeakPolarHBondContact O-CB 3.43Å; T542-D545 PolarHBondContact O-N 2.86Å; T542-D545 PolarHBondContact OG1-N 2.86Å; T542-D545 PolarHBondContact OG1-OD2 3.38Å; D545-A549 WeakPolarHBondContact O-CB 3.46Å; D545-A549 PolarHBondContact O-N 2.79Å |
| 546 | V | 86.1 | Confident | 83.9 | Confident | 85 Ų | 85 | 68.7 Ų | 68.7 | 52% | 0.515 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -68.8 | -45.6 | 179.5 | 178.9 | 0 | 0 | 0 | 0 | 110.6 | K541 T542 Q543 N544 A549 E550 | K541-V546 HydrophobicContact CB-CG2 4.34Å; T542-V546 PolarHBondContact O-N 3.28Å; Q543-V546 PolarHBondContact O-N 3.04Å; N544-V546 VanDerWaalsContact C-N 3.33Å; N544-V546 PolarHBondContact O-N 2.79Å; V546-A549 PolarHBondContact O-N 3.01Å; V546-E550 PolarHBondContact O-N 2.98Å |
| 547 | L | 85.5 | Confident | 84 | Confident | 42 Ų | 42 | 66.7 Ų | 66.7 | 22% | 0.22 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.2 | -46.2 | 176.5 | -71.8 | 168.7 | 0 | 0 | 0 | 111.9 | D233 L235 Q543 E550 N551 | D233-L547 HydrophobicContact CB-CD1 4.03Å; D233-L547 HydrophobicContact CB-CD2 4.34Å; L235-L547 HydrophobicContact CD1-CB 4.03Å; Q543-L547 HydrophobicContact CG-CD1 4.11Å; Q543-L547 WeakPolarHBondContact O-CG 3.41Å; Q543-L547 PolarHBondContact O-N 3.02Å; L547-E550 PolarHBondContact O-N 3.01Å; L547-N551 PolarHBondContact O-N 3.39Å; L547-N551 PolarHBondContact O-ND2 3.42Å |
| 548 | H | 86.4 | Confident | 84.1 | Confident | 24 Ų | 24 | 66.8 Ų | 66.8 | 11% | 0.111 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.2 | -45 | 177.5 | -176.4 | 79.9 | 0 | 0 | 0 | 112 | Y117 E200 L235 N544 E550 N551 V552 | Y117-H548 HydrophobicContact CE1-CB 3.61Å; Y117-H548 AromaticContact CE1-CG 3.64Å; Y117-H548 AromaticContact CE1-ND1 3.88Å; E200-H548 IonicContact OE1-CE1 3.6Å; E200-H548 PolarHBondContact OE1-CE1 3.22Å; E200-H548 IonicContact OE1-CG 3.7Å; E200-H548 IonicContact OE1-ND1 2.72Å; E200-H548 PolarHBondContact OE1-ND1 3.3Å; E200-H548 IonicContact OE2-CE1 3.56Å; E200-H548 IonicContact OE2-ND1 3.9Å; L235-H548 HydrophobicContact CD1-CB 3.96Å; N544-H548 VanDerWaalsContact O-CB 3.28Å; N544-H548 WeakPolarHBondContact O-CB 3.42Å; N544-H548 PolarHBondContact O-N 3.07Å; H548-E550 VanDerWaalsContact C-N 3.31Å; H548-E550 PolarHBondContact O-N 2.88Å; H548-N551 PolarHBondContact O-N 3.39Å; H548-V552 WeakPolarHBondContact O-CG2 3.45Å; H548-V552 PolarHBondContact O-N 3.36Å |
| 549 | A | 85.7 | Confident | 84.5 | Confident | 44 Ų | 44 | 61.9 Ų | 61.9 | 36% | 0.364 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.6 | -39.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | D545 V546 K553 | D545-A549 WeakPolarHBondContact O-CB 3.46Å; D545-A549 PolarHBondContact O-N 2.79Å; V546-A549 PolarHBondContact O-N 3.01Å; A549-K553 WeakPolarHBondContact O-CB 3.47Å; A549-K553 PolarHBondContact O-N 3.14Å |
| 550 | E | 87.4 | Confident | 84.9 | Confident | 71 Ų | 71 | 60.1 Ų | 60.1 | 33% | 0.332 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -70.1 | -37.8 | 175.6 | -171.8 | 58.2 | -145.7 | 0 | 0 | 112 | V546 L547 H548 K553 Q554 | V546-E550 PolarHBondContact O-N 2.98Å; L547-E550 PolarHBondContact O-N 3.01Å; H548-E550 VanDerWaalsContact C-N 3.31Å; H548-E550 PolarHBondContact O-N 2.88Å; E550-K553 PolarHBondContact O-N 2.98Å; E550-K553 IonicContact OE1-NZ 2.69Å; E550-K553 PolarHBondContact OE1-NZ 2.98Å; E550-K553 IonicContact OE2-NZ 2.95Å; E550-K553 PolarHBondContact OE2-NZ 3.35Å; E550-Q554 WeakPolarHBondContact O-CB 3.36Å; E550-Q554 VanDerWaalsContact O-CG 3.29Å; E550-Q554 WeakPolarHBondContact O-CG 3.27Å; E550-Q554 PolarHBondContact O-N 3.08Å; E550-Q554 PolarHBondContact OE1-NE2 3.25Å |
| 551 | N | 86.8 | Confident | 85 | Confident | 11 Ų | 11 | 56 Ų | 56 | 6% | 0.059 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.9 | -46.5 | 172.9 | -82.1 | -30.6 | 0 | 0 | 0 | 112.1 | T236 L547 H548 Q554 G555 R556 | T236-N551 PolarHBondContact OG1-ND2 3.04Å; L547-N551 PolarHBondContact O-N 3.39Å; L547-N551 PolarHBondContact O-ND2 3.42Å; H548-N551 PolarHBondContact O-N 3.39Å; N551-Q554 CarbonylContact O-C 3.59Å; N551-Q554 PolarHBondContact O-N 3.11Å; N551-G555 PolarHBondContact O-N 3.19Å; N551-R556 HydrophobicContact CB-CB 4.27Å; N551-R556 WeakPolarHBondContact O-CB 3.33Å; N551-R556 PolarHBondContact O-N 3.36Å; N551-R556 VanDerWaalsContact OD1-CD 3.31Å; N551-R556 WeakPolarHBondContact OD1-CD 3.46Å; N551-R556 PolarHBondContact OD1-NH1 3.48Å; N551-R556 VanDerWaalsContact OD1-NH1 3.11Å |
| 552 | V | 85.8 | Confident | 85.2 | Confident | 87 Ų | 87 | 53.1 Ų | 53.1 | 53% | 0.527 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.7 | -44.2 | 176.1 | 171.6 | 0 | 0 | 0 | 0 | 111 | H548 Q554 G555 | H548-V552 WeakPolarHBondContact O-CG2 3.45Å; H548-V552 PolarHBondContact O-N 3.36Å; V552-Q554 VanDerWaalsContact C-N 3.27Å; V552-Q554 PolarHBondContact O-N 3.37Å; V552-G555 WeakPolarHBondContact O-CA 3.43Å; V552-G555 PolarHBondContact O-N 2.94Å |
| 553 | K | 86.1 | Confident | 85.3 | Confident | 152 Ų | 152 | 54 Ų | 54 | 66% | 0.661 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -61 | -32.2 | 174.6 | 170 | 170.1 | 158.5 | -93.7 | 0 | 113.2 | A549 E550 G555 | A549-K553 WeakPolarHBondContact O-CB 3.47Å; A549-K553 PolarHBondContact O-N 3.14Å; E550-K553 PolarHBondContact O-N 2.98Å; E550-K553 IonicContact OE1-NZ 2.69Å; E550-K553 PolarHBondContact OE1-NZ 2.98Å; E550-K553 IonicContact OE2-NZ 2.95Å; E550-K553 PolarHBondContact OE2-NZ 3.35Å; K553-G555 VanDerWaalsContact C-N 3.26Å; K553-G555 PolarHBondContact O-N 3.49Å |
| 554 | Q | 84.8 | Confident | 85.4 | Confident | 96 Ų | 96 | 53.7 Ų | 53.7 | 45% | 0.449 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | 5.6 | 172.6 | -68.1 | 179.5 | 23.8 | 0 | 0 | 113.4 | E550 N551 V552 R556 | E550-Q554 WeakPolarHBondContact O-CB 3.36Å; E550-Q554 VanDerWaalsContact O-CG 3.29Å; E550-Q554 WeakPolarHBondContact O-CG 3.27Å; E550-Q554 PolarHBondContact O-N 3.08Å; E550-Q554 PolarHBondContact OE1-NE2 3.25Å; N551-Q554 CarbonylContact O-C 3.59Å; N551-Q554 PolarHBondContact O-N 3.11Å; V552-Q554 VanDerWaalsContact C-N 3.27Å; V552-Q554 PolarHBondContact O-N 3.37Å; Q554-R556 HydrophobicContact CB-CG 4.23Å; Q554-R556 PolarHBondContact O-N 2.94Å |
| 555 | G | 83 | Confident | 85.5 | Confident | 41 Ų | 41 | 52.1 Ų | 52.1 | 42% | 0.423 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | 13.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | N551 V552 K553 K560 | N551-G555 PolarHBondContact O-N 3.19Å; V552-G555 WeakPolarHBondContact O-CA 3.43Å; V552-G555 PolarHBondContact O-N 2.94Å; K553-G555 VanDerWaalsContact C-N 3.26Å; K553-G555 PolarHBondContact O-N 3.49Å; G555-K560 WeakPolarHBondContact O-CD 3.44Å; G555-K560 PolarHBondContact O-NZ 2.8Å |
| 556 | R | 85.3 | Confident | 85.6 | Confident | 83 Ų | 83 | 53.9 Ų | 53.9 | 31% | 0.313 | 27% | 0.273 | S | S | . | . | trans | -76.6 | 150.3 | 178.8 | -65 | 178.4 | 177.6 | 161.6 | 3.5 | 110.9 | N551 Q554 | N551-R556 HydrophobicContact CB-CB 4.27Å; N551-R556 WeakPolarHBondContact O-CB 3.33Å; N551-R556 PolarHBondContact O-N 3.36Å; N551-R556 VanDerWaalsContact OD1-CD 3.31Å; N551-R556 WeakPolarHBondContact OD1-CD 3.46Å; N551-R556 PolarHBondContact OD1-NH1 3.48Å; N551-R556 VanDerWaalsContact OD1-NH1 3.11Å; Q554-R556 HydrophobicContact CB-CG 4.23Å; Q554-R556 PolarHBondContact O-N 2.94Å | ||
| 557 | D | 84.8 | Confident | 85.4 | Confident | 22 Ų | 22 | 56.1 Ų | 56.1 | 12% | 0.118 | 28% | 0.278 | C | S | . | . | trans | -143.5 | 173.5 | 167.7 | 59.4 | 62.8 | 0 | 0 | 0 | 108.7 | T513 Q516 Y559 K560 T561 | T513-D557 HydrophobicContact CG2-CB 4.1Å; Q516-D557 PolarHBondContact NE2-OD2 3.17Å; D557-Y559 VanDerWaalsContact C-N 3.34Å; D557-Y559 PolarHBondContact O-N 2.78Å; D557-Y559 PolarHBondContact OD1-N 3.01Å; D557-Y559 VanDerWaalsContact OD1-N 3.07Å; D557-K560 PolarHBondContact O-N 3.01Å; D557-K560 PolarHBondContact OD1-N 2.83Å; D557-K560 VanDerWaalsContact OD2-CD 3.28Å; D557-K560 WeakPolarHBondContact OD2-CD 3.44Å; D557-K560 WeakPolarHBondContact OD2-CE 3.34Å; D557-K560 VanDerWaalsContact OD2-CG 3.31Å; D557-K560 WeakPolarHBondContact OD2-CG 3.31Å; D557-K560 IonicContact OD2-NZ 2.69Å; D557-K560 PolarHBondContact OD2-NZ 3.29Å; D557-T561 WeakPolarHBondContact O-CB 3.49Å; D557-T561 PolarHBondContact O-N 3.23Å; D557-T561 PolarHBondContact O-OG1 2.98Å | ||
| 558 | K | 84.6 | Confident | 85.2 | Confident | 21 Ų | 21 | 55.8 Ų | 55.8 | 9% | 0.091 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -51.8 | -48.7 | -177.8 | -173.4 | 170.5 | -173.7 | 170.5 | 0 | 112.5 | Q197 D198 L199 Y202 L562 | Q197-K558 PolarHBondContact O-NZ 3.2Å; D198-K558 WeakPolarHBondContact O-CB 3.4Å; D198-K558 VanDerWaalsContact O-CD 3.27Å; D198-K558 WeakPolarHBondContact O-CD 3.17Å; L199-K558 WeakPolarHBondContact O-CE 3.42Å; L199-K558 PolarHBondContact O-NZ 2.94Å; Y202-K558 PolarHBondContact O-NZ 3.28Å; K558-L562 HydrophobicContact CG-CD1 4.12Å; K558-L562 WeakPolarHBondContact O-CB 3.48Å; K558-L562 VanDerWaalsContact O-CG 3.22Å; K558-L562 WeakPolarHBondContact O-CG 3.48Å; K558-L562 PolarHBondContact O-N 3.28Å |
| 559 | Y | 85.7 | Confident | 85.1 | Confident | 14 Ų | 14 | 60.8 Ų | 60.8 | 6% | 0.055 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -79.2 | -34.2 | -175.1 | -57.5 | -63 | 0 | 0 | 0 | 113.3 | D198 L224 R511 T513 D557 L562 R563 | D198-Y559 WeakPolarHBondContact OD1-CE2 3.34Å; L224-Y559 HydrophobicContact CD1-CE1 4.46Å; R511-Y559 HydrophobicContact CB-CD1 4.08Å; R511-Y559 HydrophobicContact CB-CD2 4.45Å; R511-Y559 HydrophobicContact CB-CE1 4.39Å; R511-Y559 HydrophobicContact CB-CG 4.12Å; T513-Y559 HydrophobicContact CG2-CD2 3.81Å; T513-Y559 HydrophobicContact CG2-CE2 4.05Å; D557-Y559 VanDerWaalsContact C-N 3.34Å; D557-Y559 PolarHBondContact O-N 2.78Å; D557-Y559 PolarHBondContact OD1-N 3.01Å; D557-Y559 VanDerWaalsContact OD1-N 3.07Å; Y559-L562 HydrophobicContact CD1-CD1 4.33Å; Y559-R563 WeakPolarHBondContact O-CB 3.43Å; Y559-R563 WeakPolarHBondContact O-CG 3.34Å; Y559-R563 PolarHBondContact O-N 3.29Å; Y559-R563 PolarHBondContact O-NE 3.22Å |
| 560 | K | 85 | Confident | 85 | Confident | 85 Ų | 85 | 59.5 Ų | 59.5 | 37% | 0.37 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.7 | -44.4 | 169.2 | -73.9 | -174.4 | -161.1 | 118.5 | 0 | 111.7 | G555 D557 R563 Q564 | G555-K560 WeakPolarHBondContact O-CD 3.44Å; G555-K560 PolarHBondContact O-NZ 2.8Å; D557-K560 PolarHBondContact O-N 3.01Å; D557-K560 PolarHBondContact OD1-N 2.83Å; D557-K560 VanDerWaalsContact OD2-CD 3.28Å; D557-K560 WeakPolarHBondContact OD2-CD 3.44Å; D557-K560 WeakPolarHBondContact OD2-CE 3.34Å; D557-K560 VanDerWaalsContact OD2-CG 3.31Å; D557-K560 WeakPolarHBondContact OD2-CG 3.31Å; D557-K560 IonicContact OD2-NZ 2.69Å; D557-K560 PolarHBondContact OD2-NZ 3.29Å; K560-R563 PolarHBondContact O-N 2.94Å; K560-Q564 WeakPolarHBondContact O-CB 3.49Å; K560-Q564 PolarHBondContact O-N 3.35Å |
| 561 | T | 85.6 | Confident | 85 | Confident | 13 Ų | 13 | 61.1 Ų | 61.1 | 8% | 0.08 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64 | -48.1 | 178.1 | -52.6 | 0 | 0 | 0 | 0 | 110.2 | T236 P237 D557 R563 Q564 I565 | T236-T561 HydrophobicContact CG2-CG2 3.98Å; P237-T561 HydrophobicContact CG-CG2 4.25Å; D557-T561 WeakPolarHBondContact O-CB 3.49Å; D557-T561 PolarHBondContact O-N 3.23Å; D557-T561 PolarHBondContact O-OG1 2.98Å; T561-R563 VanDerWaalsContact C-N 3.33Å; T561-R563 PolarHBondContact O-N 2.7Å; T561-Q564 PolarHBondContact O-N 3.49Å; T561-Q564 VanDerWaalsContact O-N 3.1Å; T561-I565 HydrophobicContact CG2-CG2 4.38Å; T561-I565 WeakPolarHBondContact O-CG1 3.45Å; T561-I565 WeakPolarHBondContact O-CG2 3.23Å; T561-I565 PolarHBondContact O-N 3.3Å |
| 562 | L | 85 | Confident | 85 | Confident | 10 Ų | 10 | 65.1 Ų | 65.1 | 5% | 0.052 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.1 | -41.6 | 174.3 | -75.9 | 169.1 | 0 | 0 | 0 | 112.8 | L224 K558 Y559 I565 R566 | L224-L562 HydrophobicContact CD1-CD1 3.73Å; K558-L562 HydrophobicContact CG-CD1 4.12Å; K558-L562 WeakPolarHBondContact O-CB 3.48Å; K558-L562 VanDerWaalsContact O-CG 3.22Å; K558-L562 WeakPolarHBondContact O-CG 3.48Å; K558-L562 PolarHBondContact O-N 3.28Å; Y559-L562 HydrophobicContact CD1-CD1 4.33Å; L562-I565 HydrophobicContact CD2-CD1 4.33Å; L562-R566 WeakPolarHBondContact O-CB 3.23Å; L562-R566 WeakPolarHBondContact O-CD 3.45Å; L562-R566 WeakPolarHBondContact O-CG 3.39Å; L562-R566 PolarHBondContact O-N 3.43Å |
| 563 | R | 85.5 | Confident | 85.1 | Confident | 66 Ų | 66 | 61.2 Ų | 61.2 | 25% | 0.249 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.4 | -48.9 | 172.2 | -84.1 | 178.6 | -76.1 | -111.1 | -8.7 | 111.8 | E509 R511 Y559 K560 T561 R566 Q567 | E509-R563 WeakPolarHBondContact O-CD 3.47Å; E509-R563 PolarHBondContact O-NH1 3.35Å; R511-R563 VanDerWaalsContact O-CZ 3.27Å; R511-R563 PolarHBondContact O-NH1 3.07Å; R511-R563 PolarHBondContact O-NH2 3.02Å; Y559-R563 WeakPolarHBondContact O-CB 3.43Å; Y559-R563 WeakPolarHBondContact O-CG 3.34Å; Y559-R563 PolarHBondContact O-N 3.29Å; Y559-R563 PolarHBondContact O-NE 3.22Å; K560-R563 PolarHBondContact O-N 2.94Å; T561-R563 VanDerWaalsContact C-N 3.33Å; T561-R563 PolarHBondContact O-N 2.7Å; R563-R566 PolarHBondContact O-N 3.31Å; R563-Q567 WeakPolarHBondContact O-CG 3.46Å; R563-Q567 PolarHBondContact O-N 2.74Å |
| 564 | Q | 86.1 | Confident | 85.2 | Confident | 109 Ų | 109 | 54.4 Ų | 54.4 | 51% | 0.509 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.9 | -48.7 | -176.5 | -173.9 | 174.6 | 2 | 0 | 0 | 112 | K560 T561 R566 Q567 | K560-Q564 WeakPolarHBondContact O-CB 3.49Å; K560-Q564 PolarHBondContact O-N 3.35Å; T561-Q564 PolarHBondContact O-N 3.49Å; T561-Q564 VanDerWaalsContact O-N 3.1Å; Q564-R566 PolarHBondContact O-N 3.18Å; Q564-Q567 WeakPolarHBondContact O-CB 3.37Å; Q564-Q567 WeakPolarHBondContact O-CG 3.44Å; Q564-Q567 PolarHBondContact O-N 3.06Å |
| 565 | I | 85.9 | Confident | 85.2 | Confident | 18 Ų | 18 | 53.4 Ų | 53.4 | 9% | 0.092 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -2.7 | -176.6 | 71.8 | 178 | 0 | 0 | 0 | 114.8 | P237 K238 G240 T561 L562 R573 | P237-I565 HydrophobicContact CB-CD1 3.61Å; P237-I565 HydrophobicContact CG-CD1 3.64Å; P237-I565 WeakPolarHBondContact O-CG2 3.38Å; K238-I565 VanDerWaalsContact C-CG2 3.48Å; K238-I565 WeakPolarHBondContact O-CB 3.43Å; K238-I565 WeakPolarHBondContact O-CG2 3.4Å; G240-I565 PolarHBondContact N-O 3.18Å; T561-I565 HydrophobicContact CG2-CG2 4.38Å; T561-I565 WeakPolarHBondContact O-CG1 3.45Å; T561-I565 WeakPolarHBondContact O-CG2 3.23Å; T561-I565 PolarHBondContact O-N 3.3Å; L562-I565 HydrophobicContact CD2-CD1 4.33Å; I565-R573 WeakPolarHBondContact O-CD 3.46Å |
| 566 | R | 86.8 | Confident | 85.4 | Confident | 38 Ų | 38 | 54.9 Ų | 54.9 | 14% | 0.143 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | -1.2 | 175.1 | -69 | 173.2 | 179.1 | -163.6 | -6.7 | 112.3 | L224 E508 L562 R563 Q564 R573 | L224-R566 PolarHBondContact O-NH2 3.25Å; E508-R566 IonicContact OE2-CZ 2.63Å; E508-R566 IonicContact OE2-NH1 3.48Å; E508-R566 PolarHBondContact OE2-NH1 3.01Å; E508-R566 IonicContact OE2-NH2 3.09Å; L562-R566 WeakPolarHBondContact O-CB 3.23Å; L562-R566 WeakPolarHBondContact O-CD 3.45Å; L562-R566 WeakPolarHBondContact O-CG 3.39Å; L562-R566 PolarHBondContact O-N 3.43Å; R563-R566 PolarHBondContact O-N 3.31Å; Q564-R566 PolarHBondContact O-N 3.18Å; R566-R573 PolarHBondContact O-NE 3.03Å; R566-R573 PolarHBondContact O-NH2 3.01Å |
| 567 | Q | 81.8 | Confident | 85.4 | Confident | 132 Ų | 132 | 51 Ų | 51 | 62% | 0.617 | 25% | 0.249 | S | C | * | . | trans | -65.3 | 163.4 | 171.8 | -64.3 | -177.8 | 6.2 | 0 | 0 | 111.2 | R563 Q564 R573 | R563-Q567 WeakPolarHBondContact O-CG 3.46Å; R563-Q567 PolarHBondContact O-N 2.74Å; Q564-Q567 WeakPolarHBondContact O-CB 3.37Å; Q564-Q567 WeakPolarHBondContact O-CG 3.44Å; Q564-Q567 PolarHBondContact O-N 3.06Å; Q567-R573 VanDerWaalsContact O-CD 3.3Å; Q567-R573 WeakPolarHBondContact O-CD 3.5Å; Q567-R573 PolarHBondContact O-NE 3.33Å | ||
| 568 | G | 80.3 | Confident | 85.4 | Confident | 35 Ų | 35 | 52.4 Ų | 52.4 | 36% | 0.361 | 26% | 0.255 | S | S | . | . | S | Bend | trans | 71.8 | 165.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | R573 | G568-R573 PolarHBondContact O-NE 2.89Å; G568-R573 PolarHBondContact O-NH2 3.49Å |
| 569 | N | 84.6 | Confident | 85.3 | Confident | 129 Ų | 129 | 55.3 Ų | 55.3 | 69% | 0.69 | 28% | 0.278 | S | S | * | . | trans | -71.9 | 152.4 | 179.5 | -67.5 | -19.7 | 0 | 0 | 0 | 110.8 | K571 Q572 R573 | N569-K571 PolarHBondContact O-N 3.36Å; N569-Q572 WeakPolarHBondContact O-CB 3.5Å; N569-Q572 PolarHBondContact O-N 3.25Å; N569-R573 PolarHBondContact O-N 3.42Å | ||
| 570 | T | 84.9 | Confident | 85 | Confident | 17 Ų | 17 | 56.9 Ų | 56.9 | 10% | 0.104 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -51.8 | -34.2 | 178.9 | -44.7 | 0 | 0 | 0 | 0 | 113 | F241 E245 P260 A265 I574 | F241-T570 HydrophobicContact CD1-CG2 4.01Å; F241-T570 HydrophobicContact CE1-CG2 3.98Å; E245-T570 VanDerWaalsContact CD-OG1 3.23Å; E245-T570 WeakPolarHBondContact OE2-CG2 3.5Å; E245-T570 PolarHBondContact OE2-OG1 2.8Å; P260-T570 HydrophobicContact CB-CG2 3.98Å; A265-T570 HydrophobicContact CB-CG2 4.41Å; T570-I574 HydrophobicContact CG2-CD1 4.12Å; T570-I574 VanDerWaalsContact O-CG1 3.25Å; T570-I574 WeakPolarHBondContact O-CG1 3.47Å; T570-I574 PolarHBondContact O-N 3.47Å; T570-I574 VanDerWaalsContact O-N 3.15Å |
| 571 | K | 86.4 | Confident | 85 | Confident | 104 Ų | 104 | 55.5 Ų | 55.5 | 45% | 0.452 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -58.8 | -47.8 | 171.8 | 177.7 | 169.5 | -173.5 | -69.5 | 0 | 112.8 | A265 P266 N569 R573 I574 D575 | A265-K571 HydrophobicContact CB-CB 4.45Å; P266-K571 HydrophobicContact CG-CG 4.3Å; N569-K571 PolarHBondContact O-N 3.36Å; K571-R573 VanDerWaalsContact C-N 3.34Å; K571-R573 PolarHBondContact O-N 2.99Å; K571-I574 PolarHBondContact O-N 3.28Å; K571-I574 VanDerWaalsContact O-N 3.12Å; K571-D575 WeakPolarHBondContact CG-OD2 3.44Å; K571-D575 IonicContact NZ-OD1 3.98Å; K571-D575 IonicContact NZ-OD2 2.99Å; K571-D575 PolarHBondContact NZ-OD2 3.23Å; K571-D575 VanDerWaalsContact O-CG 3.3Å; K571-D575 PolarHBondContact O-N 3.3Å |
| 572 | Q | 87.8 | Confident | 85 | Confident | 95 Ų | 95 | 57.7 Ų | 57.7 | 44% | 0.444 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.6 | -46.8 | -178.1 | -177.5 | -170.3 | -27.9 | 0 | 0 | 110.4 | N569 I574 D575 E576 | N569-Q572 WeakPolarHBondContact O-CB 3.5Å; N569-Q572 PolarHBondContact O-N 3.25Å; Q572-I574 VanDerWaalsContact C-N 3.26Å; Q572-I574 PolarHBondContact O-N 3.15Å; Q572-D575 PolarHBondContact O-N 2.95Å; Q572-E576 HydrophobicContact CG-CG 4.49Å; Q572-E576 WeakPolarHBondContact CG-OE1 3.39Å; Q572-E576 PolarHBondContact NE2-OE1 2.99Å; Q572-E576 WeakPolarHBondContact O-CB 3.42Å; Q572-E576 VanDerWaalsContact O-CG 3.3Å; Q572-E576 WeakPolarHBondContact O-CG 3.49Å; Q572-E576 PolarHBondContact O-N 3.42Å |
| 573 | R | 88.1 | Confident | 85 | Confident | 5 Ų | 5 | 60.4 Ų | 60.4 | 2% | 0.019 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.8 | -26.2 | 177.2 | -76.8 | 179.7 | -86.6 | 123.3 | -2.1 | 113.8 | I239 G240 F241 E245 I565 R566 Q567 G568 N569 K571 F577 | I239-R573 HydrophobicContact CG2-CB 3.82Å; I239-R573 HydrophobicContact CG2-CG 4.18Å; G240-R573 WeakPolarHBondContact O-CD 3.45Å; G240-R573 PolarHBondContact O-NH1 3.2Å; F241-R573 HydrophobicContact CE1-CB 3.68Å; F241-R573 HydrophobicContact CZ-CB 3.88Å; E245-R573 IonicContact OE1-CZ 2.68Å; E245-R573 IonicContact OE1-NH1 2.76Å; E245-R573 PolarHBondContact OE1-NH1 2.79Å; E245-R573 IonicContact OE1-NH2 3.5Å; E245-R573 PolarHBondContact OE1-NH2 2.71Å; E245-R573 IonicContact OE2-CZ 3.79Å; E245-R573 IonicContact OE2-NH1 3.71Å; E245-R573 PolarHBondContact OE2-NH1 3.31Å; E245-R573 IonicContact OE2-NH2 3.99Å; E245-R573 PolarHBondContact OE2-NH2 3.36Å; I565-R573 WeakPolarHBondContact O-CD 3.46Å; R566-R573 PolarHBondContact O-NE 3.03Å; R566-R573 PolarHBondContact O-NH2 3.01Å; Q567-R573 VanDerWaalsContact O-CD 3.3Å; Q567-R573 WeakPolarHBondContact O-CD 3.5Å; Q567-R573 PolarHBondContact O-NE 3.33Å; G568-R573 PolarHBondContact O-NE 2.89Å; G568-R573 PolarHBondContact O-NH2 3.49Å; N569-R573 PolarHBondContact O-N 3.42Å; K571-R573 VanDerWaalsContact C-N 3.34Å; K571-R573 PolarHBondContact O-N 2.99Å; R573-F577 PolarHBondContact O-N 2.95Å |
| 574 | I | 86.6 | Confident | 84.9 | Confident | 9 Ų | 9 | 60.1 Ų | 60.1 | 5% | 0.046 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -79.5 | -42 | 172.6 | -63.8 | 167.7 | 0 | 0 | 0 | 111.4 | F241 P266 F268 T570 K571 Q572 E576 F577 E578 | F241-I574 HydrophobicContact CE1-CG1 3.88Å; F241-I574 HydrophobicContact CZ-CG1 3.82Å; P266-I574 HydrophobicContact CG-CB 4.12Å; P266-I574 HydrophobicContact CG-CD1 3.97Å; P266-I574 HydrophobicContact CG-CG2 3.88Å; P266-I574 VanDerWaalsContact O-CD1 3.23Å; P266-I574 WeakPolarHBondContact O-CD1 3.46Å; F268-I574 HydrophobicContact CB-CD1 3.92Å; F268-I574 HydrophobicContact CB-CG1 4.05Å; F268-I574 HydrophobicContact CD2-CG1 4.02Å; F268-I574 HydrophobicContact CD2-CG2 4.45Å; F268-I574 HydrophobicContact CG-CG1 4.49Å; T570-I574 HydrophobicContact CG2-CD1 4.12Å; T570-I574 VanDerWaalsContact O-CG1 3.25Å; T570-I574 WeakPolarHBondContact O-CG1 3.47Å; T570-I574 PolarHBondContact O-N 3.47Å; T570-I574 VanDerWaalsContact O-N 3.15Å; K571-I574 PolarHBondContact O-N 3.28Å; K571-I574 VanDerWaalsContact O-N 3.12Å; Q572-I574 VanDerWaalsContact C-N 3.26Å; Q572-I574 PolarHBondContact O-N 3.15Å; I574-E576 VanDerWaalsContact C-N 3.28Å; I574-E576 PolarHBondContact O-N 3.16Å; I574-F577 PolarHBondContact O-N 3.31Å; I574-E578 PolarHBondContact O-N 2.79Å |
| 575 | D | 85.4 | Confident | 84.9 | Confident | 76 Ų | 76 | 57 Ų | 57 | 41% | 0.406 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.9 | -38.6 | 174.7 | -66.9 | -24.4 | 0 | 0 | 0 | 110.8 | K571 Q572 E578 S579 | K571-D575 WeakPolarHBondContact CG-OD2 3.44Å; K571-D575 IonicContact NZ-OD1 3.98Å; K571-D575 IonicContact NZ-OD2 2.99Å; K571-D575 PolarHBondContact NZ-OD2 3.23Å; K571-D575 VanDerWaalsContact O-CG 3.3Å; K571-D575 PolarHBondContact O-N 3.3Å; Q572-D575 PolarHBondContact O-N 2.95Å; D575-E578 CarbonylContact O-C 3.6Å; D575-E578 PolarHBondContact O-N 2.84Å; D575-S579 WeakPolarHBondContact O-CB 3.35Å; D575-S579 PolarHBondContact O-N 3.2Å |
| 576 | E | 86.3 | Confident | 84.8 | Confident | 71 Ų | 71 | 59.6 Ų | 59.6 | 33% | 0.332 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.3 | -43.5 | 172.5 | -76.1 | 166.2 | -177.1 | 0 | 0 | 111.7 | I239 Q572 I574 E578 S579 M580 | I239-E576 HydrophobicContact CD1-CB 4Å; Q572-E576 HydrophobicContact CG-CG 4.49Å; Q572-E576 WeakPolarHBondContact CG-OE1 3.39Å; Q572-E576 PolarHBondContact NE2-OE1 2.99Å; Q572-E576 WeakPolarHBondContact O-CB 3.42Å; Q572-E576 VanDerWaalsContact O-CG 3.3Å; Q572-E576 WeakPolarHBondContact O-CG 3.49Å; Q572-E576 PolarHBondContact O-N 3.42Å; I574-E576 VanDerWaalsContact C-N 3.28Å; I574-E576 PolarHBondContact O-N 3.16Å; E576-E578 PolarHBondContact O-N 2.96Å; E576-S579 WeakPolarHBondContact CA-OG 3.48Å; E576-S579 WeakPolarHBondContact O-CA 3.4Å; E576-S579 VanDerWaalsContact O-CB 3.29Å; E576-S579 WeakPolarHBondContact O-CB 3.41Å; E576-S579 PolarHBondContact O-N 3.27Å; E576-S579 PolarHBondContact O-OG 3.39Å; E576-M580 PolarHBondContact O-N 3.4Å |
| 577 | F | 85.9 | Confident | 84.7 | Confident | 1 Ų | 1 | 61.1 Ų | 61.1 | 0% | 0.004 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.6 | -39.3 | 177.4 | 170.8 | -95.9 | 0 | 0 | 0 | 113 | I209 N211 L217 I228 I239 F268 V269 F270 R573 I574 S579 | I209-F577 HydrophobicContact CD1-CE2 4.02Å; I209-F577 HydrophobicContact CD1-CZ 4.09Å; N211-F577 HydrophobicContact CB-CD1 4.19Å; N211-F577 HydrophobicContact CB-CE1 3.51Å; N211-F577 HydrophobicContact CB-CE2 4.36Å; N211-F577 HydrophobicContact CB-CZ 3.61Å; N211-F577 PolarHBondContact ND2-O 2.69Å; N211-F577 VanDerWaalsContact ND2-O 3.17Å; L217-F577 HydrophobicContact CD1-CD2 4.03Å; L217-F577 HydrophobicContact CD1-CE2 3.53Å; L217-F577 HydrophobicContact CD1-CZ 4.2Å; I228-F577 HydrophobicContact CB-CD2 4.44Å; I228-F577 HydrophobicContact CD1-CD2 4.44Å; I228-F577 HydrophobicContact CD1-CE2 4.18Å; I228-F577 HydrophobicContact CG1-CD2 3.99Å; I228-F577 HydrophobicContact CG1-CE2 4.21Å; I228-F577 HydrophobicContact CG2-CD2 3.89Å; I228-F577 HydrophobicContact CG2-CE2 3.87Å; I239-F577 VanDerWaalsContact CD1-CA 3.49Å; I239-F577 HydrophobicContact CD1-CB 3.74Å; F268-F577 HydrophobicContact CD2-CD1 4.14Å; F268-F577 HydrophobicContact CD2-CG 4.4Å; F268-F577 HydrophobicContact CE2-CB 4.04Å; F268-F577 AromaticContact CE2-CD1 3.49Å; F268-F577 HydrophobicContact CE2-CD1 3.49Å; F268-F577 VanDerWaalsContact CE2-CD1 3.49Å; F268-F577 AromaticContact CE2-CD2 3.8Å; F268-F577 HydrophobicContact CE2-CD2 3.8Å; F268-F577 AromaticContact CE2-CE1 3.81Å; F268-F577 HydrophobicContact CE2-CE1 3.81Å; F268-F577 HydrophobicContact CE2-CE2 4.09Å; F268-F577 AromaticContact CE2-CG 3.49Å; F268-F577 HydrophobicContact CE2-CG 3.49Å; F268-F577 VanDerWaalsContact CE2-CG 3.49Å; F268-F577 HydrophobicContact CE2-CZ 4.1Å; F268-F577 HydrophobicContact CZ-CD1 4.3Å; F268-F577 HydrophobicContact CZ-CD2 4.13Å; F268-F577 HydrophobicContact CZ-CE1 4.24Å; F268-F577 HydrophobicContact CZ-CE2 4.04Å; F268-F577 HydrophobicContact CZ-CG 4.26Å; F268-F577 HydrophobicContact CZ-CZ 4.1Å; V269-F577 WeakPolarHBondContact O-CE1 2.92Å; F270-F577 HydrophobicContact CB-CE1 4.37Å; F270-F577 HydrophobicContact CB-CZ 3.94Å; R573-F577 PolarHBondContact O-N 2.95Å; I574-F577 PolarHBondContact O-N 3.31Å; F577-S579 PolarHBondContact O-N 3.25Å |
| 578 | E | 84.9 | Confident | 84.9 | Confident | 53 Ų | 53 | 55.7 Ų | 55.7 | 25% | 0.248 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -5.8 | 172 | -62.9 | -82.4 | -127.3 | 0 | 0 | 112.1 | K212 K213 I574 D575 E576 | K212-E578 WeakPolarHBondContact CB-OE1 3.5Å; K212-E578 WeakPolarHBondContact CB-OE2 3.27Å; K212-E578 WeakPolarHBondContact CD-OE1 3.26Å; K212-E578 PolarHBondContact N-OE2 3.38Å; K213-E578 WeakPolarHBondContact CD-O 3.3Å; K213-E578 WeakPolarHBondContact CE-O 3.42Å; K213-E578 PolarHBondContact NZ-O 2.7Å; I574-E578 PolarHBondContact O-N 2.79Å; D575-E578 CarbonylContact O-C 3.6Å; D575-E578 PolarHBondContact O-N 2.84Å; E576-E578 PolarHBondContact O-N 2.96Å |
| 579 | S | 83.7 | Confident | 85.3 | Confident | 81 Ų | 81 | 57.4 Ų | 57.4 | 57% | 0.566 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -24 | 172 | 86.4 | 0 | 0 | 0 | 0 | 113.6 | K213 D575 E576 F577 | K213-S579 VanDerWaalsContact NZ-CA 3.34Å; K213-S579 PolarHBondContact NZ-O 3.2Å; D575-S579 WeakPolarHBondContact O-CB 3.35Å; D575-S579 PolarHBondContact O-N 3.2Å; E576-S579 WeakPolarHBondContact CA-OG 3.48Å; E576-S579 WeakPolarHBondContact O-CA 3.4Å; E576-S579 VanDerWaalsContact O-CB 3.29Å; E576-S579 WeakPolarHBondContact O-CB 3.41Å; E576-S579 PolarHBondContact O-N 3.27Å; E576-S579 PolarHBondContact O-OG 3.39Å; F577-S579 PolarHBondContact O-N 3.25Å |
| 580 | M | 78.8 | Confident | 85.3 | Confident | 48 Ų | 48 | 50.9 Ų | 50.9 | 24% | 0.236 | 26% | 0.26 | C | S | . | . | trans | -66.4 | 0 | 168.6 | -55.1 | 177 | 105.1 | 0 | 0 | 112.1 | N211 K213 T215 L217 E230 K238 I239 E576 | N211-M580 VanDerWaalsContact ND2-C 3.33Å; N211-M580 PolarHBondContact ND2-OXT 3.25Å; K213-M580 WeakPolarHBondContact CD-OXT 3.41Å; K213-M580 PolarHBondContact NZ-OXT 3.19Å; T215-M580 VanDerWaalsContact CB-O 3.25Å; T215-M580 WeakPolarHBondContact CB-O 3.34Å; T215-M580 WeakPolarHBondContact CG2-O 3.33Å; T215-M580 PolarHBondContact OG1-O 2.96Å; L217-M580 HydrophobicContact CD1-CB 4.46Å; L217-M580 HydrophobicContact CD1-SD 4.34Å; L217-M580 HydrophobicContact CD2-CE 4.38Å; L217-M580 HydrophobicContact CD2-SD 4.3Å; E230-M580 HydrophobicContact CG-CE 3.65Å; K238-M580 HydrophobicContact CB-CE 4.13Å; K238-M580 HydrophobicContact CG-CE 3.94Å; I239-M580 HydrophobicContact CD1-SD 3.99Å; E576-M580 PolarHBondContact O-N 3.4Å |
Retrieved 580 of 580 residues in 894.2 ms
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