| 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 | 70.5 | Confident | 85.8 | Confident | 77 Ų | 77 | 69.5 Ų | 69.5 | 38% | 0.379 | 37% | 0.367 | S | S | . | . | 0 | 146.3 | 0 | -64.4 | 162.4 | 45 | 0 | 0 | 108.5 | L13 F208 F219 C223 A226 | M1-L13 HydrophobicContact CG-CB 4.37Å; M1-F208 HydrophobicContact CE-CD1 4.43Å; M1-F208 HydrophobicContact CE-CE1 3.16Å; M1-F208 HydrophobicContact CE-CE2 4.15Å; M1-F208 HydrophobicContact CE-CZ 3Å; M1-F208 HydrophobicContact SD-CE1 4.47Å; M1-F208 HydrophobicContact SD-CZ 3.79Å; M1-F219 HydrophobicContact CB-CE2 4.27Å; M1-F219 HydrophobicContact CB-CZ 3.88Å; M1-F219 HydrophobicContact CE-CE2 3.81Å; M1-F219 HydrophobicContact CE-CZ 3.9Å; M1-C223 HydrophobicContact CE-CB 3.81Å; M1-C223 WeakPolarHBondContact CE-SG 3.1Å; M1-C223 HydrophobicContact SD-CB 4.32Å; M1-A226 HydrophobicContact SD-CB 4.45Å | |||
| 2 | I | 78.4 | Confident | 86.6 | Confident | 103 Ų | 103 | 70 Ų | 70 | 53% | 0.528 | 37% | 0.369 | S | S | . | . | trans | -125.9 | 124.1 | -166.6 | -57.1 | 169.9 | 0 | 0 | 0 | 107.9 | D4 A5 L13 | I2-D4 VanDerWaalsContact C-N 3.27Å; I2-D4 PolarHBondContact O-N 3.38Å; I2-A5 HydrophobicContact CB-CB 4.01Å; I2-A5 HydrophobicContact CG2-CB 4.4Å; I2-A5 WeakPolarHBondContact O-CB 3.46Å; I2-A5 PolarHBondContact O-N 3.5Å; I2-A5 VanDerWaalsContact O-N 3.15Å; I2-L13 HydrophobicContact CD1-CD1 4.37Å; I2-L13 HydrophobicContact CG1-CD1 4.38Å | ||
| 3 | E | 71.9 | Confident | 87.4 | Confident | 150 Ų | 150 | 69.7 Ų | 69.7 | 70% | 0.701 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -35.7 | -172.1 | -73.1 | 178.9 | -178.1 | 0 | 0 | 113.3 | F219 | E3-F219 HydrophobicContact CG-CD1 3.7Å; E3-F219 HydrophobicContact CG-CE1 3.47Å; E3-F219 VanDerWaalsContact CG-CE1 3.47Å; E3-F219 HydrophobicContact CG-CG 4.37Å; E3-F219 HydrophobicContact CG-CZ 3.98Å |
| 4 | D | 79.9 | Confident | 88 | Confident | 160 Ų | 160 | 64.7 Ų | 64.7 | 86% | 0.856 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | 4.5 | -177.4 | -59.8 | -46.2 | 0 | 0 | 0 | 114.4 | I2 | I2-D4 VanDerWaalsContact C-N 3.27Å; I2-D4 PolarHBondContact O-N 3.38Å |
| 5 | A | 84.5 | Confident | 88.6 | Confident | 20 Ų | 20 | 60.4 Ų | 60.4 | 17% | 0.165 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -76.6 | 153.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I2 M9 Q10 | I2-A5 HydrophobicContact CB-CB 4.01Å; I2-A5 HydrophobicContact CG2-CB 4.4Å; I2-A5 WeakPolarHBondContact O-CB 3.46Å; I2-A5 PolarHBondContact O-N 3.5Å; I2-A5 VanDerWaalsContact O-N 3.15Å; A5-M9 HydrophobicContact CB-CB 4.05Å; A5-M9 HydrophobicContact CB-CG 3.93Å; A5-Q10 HydrophobicContact CB-CG 3.99Å; A5-Q10 PolarHBondContact O-NE2 3.43Å |
| 6 | S | 90.8 | Very high | 89.2 | Confident | 63 Ų | 63 | 58.1 Ų | 58.1 | 44% | 0.441 | 31% | 0.314 | S | S | . | . | trans | -60.6 | 151.6 | 176 | 68.1 | 0 | 0 | 0 | 0 | 111.6 | F8 M9 Q10 | S6-F8 PolarHBondContact O-N 3.39Å; S6-F8 VanDerWaalsContact O-N 3.11Å; S6-M9 WeakPolarHBondContact O-CA 3.48Å; S6-M9 WeakPolarHBondContact O-CB 3.47Å; S6-M9 PolarHBondContact O-N 3.41Å; S6-M9 WeakPolarHBondContact OG-CB 3.27Å; S6-M9 PolarHBondContact OG-N 2.93Å; S6-Q10 WeakPolarHBondContact O-CG 3.36Å; S6-Q10 PolarHBondContact O-N 3Å | ||
| 7 | P | 90.8 | Very high | 89.6 | Confident | 33 Ų | 33 | 58.5 Ų | 58.5 | 21% | 0.214 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -50 | -40.4 | 177.3 | -30.7 | 36.5 | 0 | 0 | 0 | 113.1 | Q10 T11 | P7-Q10 PolarHBondContact O-N 2.95Å; P7-T11 WeakPolarHBondContact O-CB 3.5Å; P7-T11 PolarHBondContact O-N 3.15Å; P7-T11 PolarHBondContact O-OG1 3.08Å |
| 8 | F | 93.3 | Very high | 90 | Very high | 60 Ų | 60 | 55.2 Ų | 55.2 | 26% | 0.263 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 176 | -60 | -69.6 | 0 | 0 | 0 | 113.3 | S6 Q10 T11 L12 L274 H277 | S6-F8 PolarHBondContact O-N 3.39Å; S6-F8 VanDerWaalsContact O-N 3.11Å; F8-Q10 VanDerWaalsContact C-N 3.33Å; F8-T11 PolarHBondContact O-N 3.06Å; F8-L12 WeakPolarHBondContact O-CG 3.32Å; F8-L12 PolarHBondContact O-N 2.76Å; F8-L274 HydrophobicContact CD1-CD2 4.45Å; F8-L274 HydrophobicContact CE1-CD2 3.42Å; F8-L274 VanDerWaalsContact CE1-CD2 3.42Å; F8-L274 HydrophobicContact CE1-CG 3.81Å; F8-L274 HydrophobicContact CZ-CD2 3.82Å; F8-H277 HydrophobicContact CZ-CB 4.24Å; F8-H277 AromaticContact CZ-CD2 3.81Å; F8-H277 AromaticContact CZ-CG 3.89Å |
| 9 | M | 93.7 | Very high | 90.4 | Very high | 91 Ų | 91 | 56.8 Ų | 56.8 | 45% | 0.448 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.6 | -39.1 | 176.9 | -177.2 | 61.9 | 69.5 | 0 | 0 | 110.8 | A5 S6 L12 L13 | A5-M9 HydrophobicContact CB-CB 4.05Å; A5-M9 HydrophobicContact CB-CG 3.93Å; S6-M9 WeakPolarHBondContact O-CA 3.48Å; S6-M9 WeakPolarHBondContact O-CB 3.47Å; S6-M9 PolarHBondContact O-N 3.41Å; S6-M9 WeakPolarHBondContact OG-CB 3.27Å; S6-M9 PolarHBondContact OG-N 2.93Å; M9-L12 PolarHBondContact O-N 3.15Å; M9-L13 HydrophobicContact CG-CD1 4.22Å; M9-L13 WeakPolarHBondContact O-CB 3.36Å; M9-L13 VanDerWaalsContact O-CG 3.3Å; M9-L13 WeakPolarHBondContact O-CG 3.19Å; M9-L13 PolarHBondContact O-N 3.41Å; M9-L13 HydrophobicContact SD-CG 4.45Å |
| 10 | Q | 94.1 | Very high | 90.7 | Very high | 8 Ų | 8 | 59.9 Ų | 59.9 | 4% | 0.037 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.1 | -43.4 | 175.5 | -62.1 | -171 | 35.7 | 0 | 0 | 111.8 | A5 S6 P7 F8 L12 L13 G14 F208 | A5-Q10 HydrophobicContact CB-CG 3.99Å; A5-Q10 PolarHBondContact O-NE2 3.43Å; S6-Q10 WeakPolarHBondContact O-CG 3.36Å; S6-Q10 PolarHBondContact O-N 3Å; P7-Q10 PolarHBondContact O-N 2.95Å; F8-Q10 VanDerWaalsContact C-N 3.33Å; Q10-L12 VanDerWaalsContact C-N 3.35Å; Q10-L12 PolarHBondContact O-N 3.05Å; Q10-L13 PolarHBondContact O-N 2.85Å; Q10-G14 PolarHBondContact O-N 3.3Å; Q10-F208 HydrophobicContact CB-CB 4.15Å; Q10-F208 HydrophobicContact CB-CD1 3.6Å; Q10-F208 HydrophobicContact CB-CD2 4.49Å; Q10-F208 HydrophobicContact CB-CE1 4.24Å; Q10-F208 HydrophobicContact CB-CG 3.82Å; Q10-F208 VanDerWaalsContact OE1-CD1 3.26Å |
| 11 | T | 95.6 | Very high | 91 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -56.6 | -47.1 | 172.1 | -62.2 | 0 | 0 | 0 | 0 | 111.7 | P7 F8 L13 G14 T15 F208 G269 L270 C273 | P7-T11 WeakPolarHBondContact O-CB 3.5Å; P7-T11 PolarHBondContact O-N 3.15Å; P7-T11 PolarHBondContact O-OG1 3.08Å; F8-T11 PolarHBondContact O-N 3.06Å; T11-L13 PolarHBondContact O-N 3.48Å; T11-G14 PolarHBondContact O-N 3.46Å; T11-T15 HydrophobicContact CG2-CG2 4.34Å; T11-T15 WeakPolarHBondContact O-CB 3.47Å; T11-T15 WeakPolarHBondContact O-CG2 3.29Å; T11-T15 PolarHBondContact O-N 2.79Å; T11-T15 PolarHBondContact O-OG1 3.33Å; T11-F208 WeakPolarHBondContact OG1-CB 3.41Å; T11-G269 WeakPolarHBondContact CG2-O 3.37Å; T11-L270 HydrophobicContact CG2-CD2 4.37Å; T11-C273 HydrophobicContact CG2-CB 4.01Å; T11-C273 WeakPolarHBondContact OG1-CB 3.29Å; T11-C273 PolarHBondContact OG1-SG 3.23Å |
| 12 | L | 96.4 | Very high | 92.2 | Very high | 75 Ų | 75 | 54.6 Ų | 54.6 | 39% | 0.393 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.1 | -40.8 | 177.8 | -77.1 | 174.2 | 0 | 0 | 0 | 112.7 | F8 M9 Q10 G16 L270 | F8-L12 WeakPolarHBondContact O-CG 3.32Å; F8-L12 PolarHBondContact O-N 2.76Å; M9-L12 PolarHBondContact O-N 3.15Å; Q10-L12 VanDerWaalsContact C-N 3.35Å; Q10-L12 PolarHBondContact O-N 3.05Å; L12-G16 WeakPolarHBondContact O-CA 3.28Å; L12-G16 PolarHBondContact O-N 3.28Å; L12-L270 HydrophobicContact CD2-CD1 3.88Å; L12-L270 HydrophobicContact CD2-CD2 3.91Å; L12-L270 HydrophobicContact CD2-CG 3.98Å; L12-L270 HydrophobicContact CG-CD2 3.92Å |
| 13 | L | 96.2 | Very high | 93.1 | Very high | 66 Ų | 66 | 50.3 Ų | 50.3 | 35% | 0.346 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -69.9 | -39.9 | 177.4 | -71 | 174.4 | 0 | 0 | 0 | 112 | M1 I2 M9 Q10 T11 L17 | M1-L13 HydrophobicContact CG-CB 4.37Å; I2-L13 HydrophobicContact CD1-CD1 4.37Å; I2-L13 HydrophobicContact CG1-CD1 4.38Å; M9-L13 HydrophobicContact CG-CD1 4.22Å; M9-L13 WeakPolarHBondContact O-CB 3.36Å; M9-L13 VanDerWaalsContact O-CG 3.3Å; M9-L13 WeakPolarHBondContact O-CG 3.19Å; M9-L13 PolarHBondContact O-N 3.41Å; M9-L13 HydrophobicContact SD-CG 4.45Å; Q10-L13 PolarHBondContact O-N 2.85Å; T11-L13 PolarHBondContact O-N 3.48Å; L13-L17 WeakPolarHBondContact O-CB 3.39Å; L13-L17 PolarHBondContact O-N 2.96Å |
| 14 | G | 96.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.1 | -53.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q10 T11 G16 L17 T18 | Q10-G14 PolarHBondContact O-N 3.3Å; T11-G14 PolarHBondContact O-N 3.46Å; G14-G16 VanDerWaalsContact C-N 3.31Å; G14-G16 PolarHBondContact O-N 3.14Å; G14-L17 WeakPolarHBondContact O-CB 3Å; G14-L17 PolarHBondContact O-N 2.8Å; G14-T18 WeakPolarHBondContact O-CG2 3.43Å; G14-T18 PolarHBondContact O-N 3.29Å; G14-T18 PolarHBondContact O-OG1 3.47Å |
| 15 | T | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -69.2 | -28.9 | 177.6 | 54.5 | 0 | 0 | 0 | 0 | 113.3 | T11 L17 T18 W19 V204 P266 | T11-T15 HydrophobicContact CG2-CG2 4.34Å; T11-T15 WeakPolarHBondContact O-CB 3.47Å; T11-T15 WeakPolarHBondContact O-CG2 3.29Å; T11-T15 PolarHBondContact O-N 2.79Å; T11-T15 PolarHBondContact O-OG1 3.33Å; T15-L17 VanDerWaalsContact C-N 3.35Å; T15-T18 VanDerWaalsContact CA-OG1 3.24Å; T15-T18 WeakPolarHBondContact CA-OG1 3.5Å; T15-T18 PolarHBondContact O-OG1 2.98Å; T15-W19 VanDerWaalsContact O-CB 3.3Å; T15-W19 WeakPolarHBondContact O-CB 3.36Å; T15-W19 PolarHBondContact O-N 2.83Å; T15-V204 HydrophobicContact CG2-CB 3.92Å; T15-V204 HydrophobicContact CG2-CG1 3.72Å; T15-P266 WeakPolarHBondContact OG1-CA 3.46Å |
| 16 | G | 97 | Very high | 95.5 | Very high | 24 Ų | 24 | 37.4 Ų | 37.4 | 25% | 0.247 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.7 | -36.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112 | L12 G14 F20 | L12-G16 WeakPolarHBondContact O-CA 3.28Å; L12-G16 PolarHBondContact O-N 3.28Å; G14-G16 VanDerWaalsContact C-N 3.31Å; G14-G16 PolarHBondContact O-N 3.14Å; G16-F20 WeakPolarHBondContact O-CB 3.23Å; G16-F20 PolarHBondContact O-N 3.12Å |
| 17 | L | 96.8 | Very high | 95.7 | Very high | 64 Ų | 64 | 37.3 Ų | 37.3 | 34% | 0.335 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -65.4 | -48.4 | 173.4 | 173.4 | 67.7 | 0 | 0 | 0 | 111 | L13 G14 T15 F20 V21 A230 | L13-L17 WeakPolarHBondContact O-CB 3.39Å; L13-L17 PolarHBondContact O-N 2.96Å; G14-L17 WeakPolarHBondContact O-CB 3Å; G14-L17 PolarHBondContact O-N 2.8Å; T15-L17 VanDerWaalsContact C-N 3.35Å; L17-F20 PolarHBondContact O-N 3.16Å; L17-V21 HydrophobicContact CD1-CG2 4.27Å; L17-V21 WeakPolarHBondContact O-CG2 3.43Å; L17-V21 PolarHBondContact O-N 3.18Å; L17-A230 HydrophobicContact CD2-CB 4.2Å; L17-A230 HydrophobicContact CG-CB 3.98Å |
| 18 | T | 96.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.3 | -49.1 | -179 | 54.6 | 0 | 0 | 0 | 0 | 110.7 | G14 T15 F20 V21 T22 V204 A226 I229 A230 E265 | G14-T18 WeakPolarHBondContact O-CG2 3.43Å; G14-T18 PolarHBondContact O-N 3.29Å; G14-T18 PolarHBondContact O-OG1 3.47Å; T15-T18 VanDerWaalsContact CA-OG1 3.24Å; T15-T18 WeakPolarHBondContact CA-OG1 3.5Å; T15-T18 PolarHBondContact O-OG1 2.98Å; T18-F20 VanDerWaalsContact C-N 3.33Å; T18-F20 PolarHBondContact O-N 3.49Å; T18-V21 PolarHBondContact O-N 3.46Å; T18-V21 VanDerWaalsContact O-N 3.1Å; T18-T22 PolarHBondContact O-N 3.04Å; T18-T22 PolarHBondContact O-OG1 3.34Å; T18-T22 VanDerWaalsContact O-OG1 3.06Å; T18-V204 HydrophobicContact CG2-CG2 4.34Å; T18-A226 WeakPolarHBondContact CG2-O 3.27Å; T18-I229 HydrophobicContact CG2-CB 3.95Å; T18-I229 HydrophobicContact CG2-CG2 3.55Å; T18-A230 HydrophobicContact CG2-CB 4Å; T18-E265 VanDerWaalsContact C-OE2 3.31Å; T18-E265 WeakPolarHBondContact CB-OE2 3.23Å; T18-E265 PolarHBondContact OG1-OE2 3.21Å |
| 19 | W | 96.9 | Very high | 95.8 | Very high | 85 Ų | 85 | 36.6 Ų | 36.6 | 32% | 0.322 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -58.2 | -41.6 | 173.7 | 171.1 | 58.7 | 0 | 0 | 0 | 113 | T15 V21 T22 A23 Q259 G262 L263 E265 P266 | T15-W19 VanDerWaalsContact O-CB 3.3Å; T15-W19 WeakPolarHBondContact O-CB 3.36Å; T15-W19 PolarHBondContact O-N 2.83Å; W19-V21 VanDerWaalsContact C-N 3.31Å; W19-V21 PolarHBondContact O-N 3.12Å; W19-T22 VanDerWaalsContact O-CB 3.3Å; W19-T22 WeakPolarHBondContact O-CB 3.48Å; W19-T22 PolarHBondContact O-N 3.38Å; W19-A23 PolarHBondContact O-N 2.89Å; W19-Q259 VanDerWaalsContact CZ2-OE1 3.25Å; W19-Q259 PolarHBondContact NE1-O 3.32Å; W19-Q259 VanDerWaalsContact NE1-O 3.11Å; W19-Q259 VanDerWaalsContact NE1-OE1 3.09Å; W19-G262 VanDerWaalsContact CD1-C 3.4Å; W19-L263 HydrophobicContact CZ2-CD1 4.08Å; W19-E265 PolarHBondContact N-OE2 3.28Å; W19-E265 VanDerWaalsContact N-OE2 3.1Å; W19-P266 HydrophobicContact CB-CG 4.3Å |
| 20 | F | 97 | Very high | 95.6 | Very high | 119 Ų | 119 | 37 Ų | 37 | 52% | 0.522 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62.7 | -39.3 | 177.7 | 176.4 | -110.9 | 0 | 0 | 0 | 111.9 | G16 L17 T18 A23 I24 | G16-F20 WeakPolarHBondContact O-CB 3.23Å; G16-F20 PolarHBondContact O-N 3.12Å; L17-F20 PolarHBondContact O-N 3.16Å; T18-F20 VanDerWaalsContact C-N 3.33Å; T18-F20 PolarHBondContact O-N 3.49Å; F20-A23 WeakPolarHBondContact O-CB 3.36Å; F20-A23 PolarHBondContact O-N 2.86Å; F20-I24 HydrophobicContact CD1-CD1 3.8Å; F20-I24 HydrophobicContact CE1-CD1 3.35Å; F20-I24 HydrophobicContact CE1-CG1 4.18Å; F20-I24 HydrophobicContact CE2-CD1 4.49Å; F20-I24 HydrophobicContact CE2-CG1 4.49Å; F20-I24 HydrophobicContact CZ-CD1 3.75Å; F20-I24 HydrophobicContact CZ-CG1 4.16Å; F20-I24 WeakPolarHBondContact O-CG1 3.5Å; F20-I24 PolarHBondContact O-N 2.96Å |
| 21 | V | 97.1 | Very high | 95.5 | Very high | 25 Ų | 25 | 41.5 Ų | 41.5 | 15% | 0.152 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -71.2 | -33.6 | 176.7 | -177.8 | 0 | 0 | 0 | 0 | 111.6 | L17 T18 W19 A23 I24 G25 A230 F234 | L17-V21 HydrophobicContact CD1-CG2 4.27Å; L17-V21 WeakPolarHBondContact O-CG2 3.43Å; L17-V21 PolarHBondContact O-N 3.18Å; T18-V21 PolarHBondContact O-N 3.46Å; T18-V21 VanDerWaalsContact O-N 3.1Å; W19-V21 VanDerWaalsContact C-N 3.31Å; W19-V21 PolarHBondContact O-N 3.12Å; V21-A23 VanDerWaalsContact C-N 3.32Å; V21-A23 PolarHBondContact O-N 3.02Å; V21-I24 PolarHBondContact O-N 3.45Å; V21-G25 PolarHBondContact O-N 3.46Å; V21-A230 HydrophobicContact CB-CB 4.37Å; V21-A230 WeakPolarHBondContact CB-O 3.27Å; V21-A230 WeakPolarHBondContact CG1-O 2.95Å; V21-A230 HydrophobicContact CG2-CB 4.06Å; V21-F234 HydrophobicContact CG1-CB 3.66Å |
| 22 | T | 96.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -54.4 | -49.5 | 166.5 | -42.1 | 0 | 0 | 0 | 0 | 110.7 | T18 W19 I24 G25 S26 N233 G237 G258 E265 | T18-T22 PolarHBondContact O-N 3.04Å; T18-T22 PolarHBondContact O-OG1 3.34Å; T18-T22 VanDerWaalsContact O-OG1 3.06Å; W19-T22 VanDerWaalsContact O-CB 3.3Å; W19-T22 WeakPolarHBondContact O-CB 3.48Å; W19-T22 PolarHBondContact O-N 3.38Å; T22-I24 PolarHBondContact O-N 2.88Å; T22-G25 PolarHBondContact O-N 3Å; T22-G25 VanDerWaalsContact O-N 3.16Å; T22-S26 PolarHBondContact O-N 3.46Å; T22-S26 PolarHBondContact O-OG 2.94Å; T22-N233 WeakPolarHBondContact CA-O 3.06Å; T22-N233 WeakPolarHBondContact OG1-CB 3.28Å; T22-G237 WeakPolarHBondContact O-CA 3.12Å; T22-G258 WeakPolarHBondContact CG2-O 3.45Å; T22-E265 PolarHBondContact OG1-OE1 3.07Å; T22-E265 VanDerWaalsContact OG1-OE1 3.1Å |
| 23 | A | 96.3 | Very high | 94.6 | Very high | 14 Ų | 14 | 39.6 Ų | 39.6 | 12% | 0.116 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.6 | -40.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | W19 F20 V21 S26 V27 F255 Q259 | W19-A23 PolarHBondContact O-N 2.89Å; F20-A23 WeakPolarHBondContact O-CB 3.36Å; F20-A23 PolarHBondContact O-N 2.86Å; V21-A23 VanDerWaalsContact C-N 3.32Å; V21-A23 PolarHBondContact O-N 3.02Å; A23-S26 WeakPolarHBondContact O-CB 3.48Å; A23-S26 PolarHBondContact O-N 3.32Å; A23-V27 WeakPolarHBondContact O-CG2 3.43Å; A23-V27 PolarHBondContact O-N 3.41Å; A23-F255 HydrophobicContact CB-CE2 4.29Å; A23-Q259 HydrophobicContact CB-CB 3.86Å |
| 24 | I | 96.6 | Very high | 94.2 | Very high | 58 Ų | 58 | 42.7 Ų | 42.7 | 30% | 0.297 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -60.7 | -47.5 | 173.7 | -67.4 | 170.3 | 0 | 0 | 0 | 110.4 | F20 V21 T22 S26 V27 F28 F234 | F20-I24 HydrophobicContact CD1-CD1 3.8Å; F20-I24 HydrophobicContact CE1-CD1 3.35Å; F20-I24 HydrophobicContact CE1-CG1 4.18Å; F20-I24 HydrophobicContact CE2-CD1 4.49Å; F20-I24 HydrophobicContact CE2-CG1 4.49Å; F20-I24 HydrophobicContact CZ-CD1 3.75Å; F20-I24 HydrophobicContact CZ-CG1 4.16Å; F20-I24 WeakPolarHBondContact O-CG1 3.5Å; F20-I24 PolarHBondContact O-N 2.96Å; V21-I24 PolarHBondContact O-N 3.45Å; T22-I24 PolarHBondContact O-N 2.88Å; I24-S26 PolarHBondContact O-N 3.01Å; I24-V27 WeakPolarHBondContact O-CB 3.17Å; I24-V27 PolarHBondContact O-N 3.37Å; I24-F28 HydrophobicContact CG2-CD2 4.39Å; I24-F28 HydrophobicContact CG2-CE2 4.18Å; I24-F28 WeakPolarHBondContact O-CD2 3.34Å; I24-F28 PolarHBondContact O-N 3.42Å; I24-F234 HydrophobicContact CB-CD2 4.43Å; I24-F234 HydrophobicContact CG2-CD2 3.86Å; I24-F234 HydrophobicContact CG2-CE2 3.69Å |
| 25 | G | 95.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -54.4 | -41.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V21 T22 V27 F28 F234 L238 | V21-G25 PolarHBondContact O-N 3.46Å; T22-G25 PolarHBondContact O-N 3Å; T22-G25 VanDerWaalsContact O-N 3.16Å; G25-V27 VanDerWaalsContact C-N 3.33Å; G25-V27 PolarHBondContact O-N 3.31Å; G25-F28 PolarHBondContact O-N 3.35Å; G25-F234 VanDerWaalsContact CA-O 3.31Å; G25-F234 WeakPolarHBondContact CA-O 3.48Å; G25-L238 WeakPolarHBondContact O-CA 3.34Å |
| 26 | S | 95 | Very high | 93.5 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.7 | -31.4 | 177 | -57.6 | 0 | 0 | 0 | 0 | 114.5 | T22 A23 I24 F28 C29 G237 S241 G258 Q259 | T22-S26 PolarHBondContact O-N 3.46Å; T22-S26 PolarHBondContact O-OG 2.94Å; A23-S26 WeakPolarHBondContact O-CB 3.48Å; A23-S26 PolarHBondContact O-N 3.32Å; I24-S26 PolarHBondContact O-N 3.01Å; S26-F28 VanDerWaalsContact C-N 3.31Å; S26-F28 PolarHBondContact O-N 3.15Å; S26-C29 WeakPolarHBondContact O-CB 3.11Å; S26-C29 PolarHBondContact O-N 3.01Å; S26-C29 PolarHBondContact O-SG 3.03Å; S26-G237 WeakPolarHBondContact CA-O 3.18Å; S26-G237 WeakPolarHBondContact OG-CA 3.41Å; S26-G237 PolarHBondContact OG-O 3.13Å; S26-S241 WeakPolarHBondContact CA-OG 3.44Å; S26-S241 PolarHBondContact O-OG 3.49Å; S26-G258 WeakPolarHBondContact OG-CA 3.02Å; S26-Q259 PolarHBondContact OG-N 3.21Å |
| 27 | V | 95.3 | Very high | 93.1 | Very high | 61 Ų | 61 | 51.4 Ų | 51.4 | 37% | 0.37 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67.4 | -34.2 | 176.3 | 172.6 | 0 | 0 | 0 | 0 | 111.6 | A23 I24 G25 C29 F30 F251 F255 | A23-V27 WeakPolarHBondContact O-CG2 3.43Å; A23-V27 PolarHBondContact O-N 3.41Å; I24-V27 WeakPolarHBondContact O-CB 3.17Å; I24-V27 PolarHBondContact O-N 3.37Å; G25-V27 VanDerWaalsContact C-N 3.33Å; G25-V27 PolarHBondContact O-N 3.31Å; V27-C29 PolarHBondContact O-N 3.31Å; V27-C29 VanDerWaalsContact O-N 3.07Å; V27-F30 PolarHBondContact O-N 3.07Å; V27-F251 HydrophobicContact CG1-CZ 4.38Å; V27-F255 HydrophobicContact CG2-CD2 3.73Å; V27-F255 HydrophobicContact CG2-CE2 3.66Å |
| 28 | F | 93.3 | Very high | 92.8 | Very high | 79 Ų | 79 | 51.3 Ų | 51.3 | 35% | 0.346 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -12 | -177.1 | -90.8 | -113.2 | 0 | 0 | 0 | 113.7 | I24 G25 S26 F30 I31 I32 F234 L238 | I24-F28 HydrophobicContact CG2-CD2 4.39Å; I24-F28 HydrophobicContact CG2-CE2 4.18Å; I24-F28 WeakPolarHBondContact O-CD2 3.34Å; I24-F28 PolarHBondContact O-N 3.42Å; G25-F28 PolarHBondContact O-N 3.35Å; S26-F28 VanDerWaalsContact C-N 3.31Å; S26-F28 PolarHBondContact O-N 3.15Å; F28-F30 PolarHBondContact O-N 2.87Å; F28-I31 HydrophobicContact CD1-CD1 4.33Å; F28-I31 HydrophobicContact CE1-CD1 4.41Å; F28-I31 PolarHBondContact O-N 2.93Å; F28-I31 VanDerWaalsContact O-N 3.15Å; F28-I32 HydrophobicContact CB-CD1 4.31Å; F28-I32 PolarHBondContact O-N 3.5Å; F28-I32 VanDerWaalsContact O-N 3.08Å; F28-F234 HydrophobicContact CB-CZ 4.09Å; F28-F234 AromaticContact CD1-CZ 3.77Å; F28-F234 HydrophobicContact CD1-CZ 3.77Å; F28-F234 AromaticContact CD2-CE2 3.81Å; F28-F234 HydrophobicContact CD2-CE2 3.81Å; F28-F234 AromaticContact CD2-CZ 3.73Å; F28-F234 HydrophobicContact CD2-CZ 3.73Å; F28-F234 HydrophobicContact CE1-CZ 4.08Å; F28-F234 AromaticContact CE2-CE2 3.92Å; F28-F234 HydrophobicContact CE2-CE2 3.92Å; F28-F234 HydrophobicContact CE2-CZ 4.05Å; F28-F234 HydrophobicContact CG-CE2 4.16Å; F28-F234 AromaticContact CG-CZ 3.59Å; F28-F234 HydrophobicContact CG-CZ 3.59Å; F28-F234 HydrophobicContact CZ-CE2 4.35Å; F28-F234 HydrophobicContact CZ-CZ 4.2Å; F28-L238 HydrophobicContact CB-CD1 4.27Å |
| 29 | C | 91.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -55.6 | -37.7 | 175.2 | 79.8 | 0 | 0 | 0 | 0 | 112.6 | S26 V27 I32 S33 L238 S241 L242 | S26-C29 WeakPolarHBondContact O-CB 3.11Å; S26-C29 PolarHBondContact O-N 3.01Å; S26-C29 PolarHBondContact O-SG 3.03Å; V27-C29 PolarHBondContact O-N 3.31Å; V27-C29 VanDerWaalsContact O-N 3.07Å; C29-I32 PolarHBondContact O-N 2.87Å; C29-S33 WeakPolarHBondContact O-CB 3.37Å; C29-S33 PolarHBondContact O-N 3.18Å; C29-S33 PolarHBondContact O-OG 3.19Å; C29-L238 HydrophobicContact CB-CD1 4.35Å; C29-S241 WeakPolarHBondContact CB-OG 3.15Å; C29-L242 HydrophobicContact CB-CB 4.22Å; C29-L242 HydrophobicContact CB-CD1 4.47Å |
| 30 | F | 90.6 | Very high | 92.4 | Very high | 99 Ų | 99 | 52.7 Ų | 52.7 | 43% | 0.434 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -68.7 | -33.6 | -179.3 | 176.5 | -98.1 | 0 | 0 | 0 | 113 | V27 F28 S33 Y245 F251 | V27-F30 PolarHBondContact O-N 3.07Å; F28-F30 PolarHBondContact O-N 2.87Å; F30-S33 PolarHBondContact O-OG 3.46Å; F30-Y245 HydrophobicContact CD2-CE2 4.22Å; F30-Y245 AromaticContact CD2-CZ 3.81Å; F30-Y245 VanDerWaalsContact CD2-OH 3.29Å; F30-Y245 WeakPolarHBondContact CD2-OH 3.39Å; F30-Y245 WeakPolarHBondContact CE2-OH 2.99Å; F30-F251 HydrophobicContact CB-CD2 3.81Å; F30-F251 HydrophobicContact CB-CE2 3.91Å; F30-F251 HydrophobicContact CD2-CD2 4.42Å; F30-F251 HydrophobicContact CG-CD2 4.4Å |
| 31 | I | 90.7 | Very high | 92.2 | Very high | 102 Ų | 102 | 50 Ų | 50 | 52% | 0.523 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -74.6 | -46.1 | 178.4 | -60.1 | 174.5 | 0 | 0 | 0 | 109 | F28 | F28-I31 HydrophobicContact CD1-CD1 4.33Å; F28-I31 HydrophobicContact CE1-CD1 4.41Å; F28-I31 PolarHBondContact O-N 2.93Å; F28-I31 VanDerWaalsContact O-N 3.15Å |
| 32 | I | 89.5 | Confident | 92.1 | Very high | 19 Ų | 19 | 52.2 Ų | 52.2 | 10% | 0.097 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -74.7 | -27.6 | -175 | -67 | 162.2 | 0 | 0 | 0 | 111.7 | F28 C29 N34 S35 K40 I43 L238 L242 | F28-I32 HydrophobicContact CB-CD1 4.31Å; F28-I32 PolarHBondContact O-N 3.5Å; F28-I32 VanDerWaalsContact O-N 3.08Å; C29-I32 PolarHBondContact O-N 2.87Å; I32-N34 PolarHBondContact O-N 3.49Å; I32-N34 VanDerWaalsContact O-N 3.16Å; I32-S35 WeakPolarHBondContact O-CB 3.38Å; I32-S35 PolarHBondContact O-N 3.32Å; I32-S35 PolarHBondContact O-OG 3.43Å; I32-K40 HydrophobicContact CG2-CG 4.11Å; I32-I43 HydrophobicContact CD1-CD1 4.47Å; I32-I43 HydrophobicContact CD1-CG2 4.03Å; I32-I43 HydrophobicContact CG1-CD1 4.23Å; I32-I43 HydrophobicContact CG2-CD1 3.84Å; I32-L238 HydrophobicContact CD1-CD1 3.59Å; I32-L238 HydrophobicContact CD1-CD2 3.56Å; I32-L238 HydrophobicContact CD1-CG 4.22Å; I32-L242 HydrophobicContact CB-CD1 4.08Å; I32-L242 HydrophobicContact CB-CD2 4.5Å; I32-L242 HydrophobicContact CG2-CD1 3.84Å; I32-L242 HydrophobicContact CG2-CD2 3.66Å; I32-L242 HydrophobicContact CG2-CG 4.43Å |
| 33 | S | 84.8 | Confident | 92 | Very high | 16 Ų | 16 | 54.8 Ų | 54.8 | 11% | 0.112 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -29.2 | -178 | 59.2 | 0 | 0 | 0 | 0 | 114.9 | C29 F30 S35 Y245 | C29-S33 WeakPolarHBondContact O-CB 3.37Å; C29-S33 PolarHBondContact O-N 3.18Å; C29-S33 PolarHBondContact O-OG 3.19Å; F30-S33 PolarHBondContact O-OG 3.46Å; S33-S35 PolarHBondContact O-N 3.2Å; S33-Y245 WeakPolarHBondContact OG-CD1 3.36Å; S33-Y245 WeakPolarHBondContact OG-CE1 3.39Å |
| 34 | N | 86.9 | Confident | 91.8 | Very high | 132 Ų | 132 | 54.4 Ų | 54.4 | 71% | 0.706 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -7.2 | 178.1 | -65.5 | -28.5 | 0 | 0 | 0 | 112.8 | I32 | I32-N34 PolarHBondContact O-N 3.49Å; I32-N34 VanDerWaalsContact O-N 3.16Å |
| 35 | S | 89.2 | Confident | 91.7 | Very high | 39 Ų | 39 | 51.6 Ų | 51.6 | 27% | 0.273 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -77.7 | 158.6 | 178.5 | -61.4 | 0 | 0 | 0 | 0 | 112.7 | I32 S33 | I32-S35 WeakPolarHBondContact O-CB 3.38Å; I32-S35 PolarHBondContact O-N 3.32Å; I32-S35 PolarHBondContact O-OG 3.43Å; S33-S35 PolarHBondContact O-N 3.2Å |
| 36 | S | 90.4 | Very high | 91.7 | Very high | 87 Ų | 87 | 52 Ų | 52 | 61% | 0.608 | 29% | 0.29 | S | S | * | . | trans | -53.4 | 143.6 | 171.3 | 178.3 | 0 | 0 | 0 | 0 | 111.7 | S38 L39 K40 | S36-S38 PolarHBondContact O-N 3.28Å; S36-S38 VanDerWaalsContact O-N 3.11Å; S36-L39 PolarHBondContact O-N 2.69Å; S36-K40 PolarHBondContact O-N 3.23Å | ||
| 37 | S | 88.1 | Confident | 91.7 | Very high | 81 Ų | 81 | 52.7 Ų | 52.7 | 57% | 0.566 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -53.1 | -35 | 179.8 | -56.5 | 0 | 0 | 0 | 0 | 113.3 | N41 | S37-N41 PolarHBondContact O-N 3.3Å |
| 38 | S | 91.5 | Very high | 91.6 | Very high | 62 Ų | 62 | 49.9 Ų | 49.9 | 43% | 0.434 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.5 | -44.1 | 176.2 | 179.4 | 0 | 0 | 0 | 0 | 112.1 | S36 N41 Q42 | S36-S38 PolarHBondContact O-N 3.28Å; S36-S38 VanDerWaalsContact O-N 3.11Å; S38-N41 PolarHBondContact O-N 3.21Å; S38-Q42 WeakPolarHBondContact O-CG 3.49Å; S38-Q42 PolarHBondContact O-N 3.48Å; S38-Q42 PolarHBondContact OG-NE2 2.88Å |
| 39 | L | 92.8 | Very high | 91.8 | Very high | 78 Ų | 78 | 46.1 Ų | 46.1 | 41% | 0.408 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.1 | -39.5 | 179 | -178 | 58.7 | 0 | 0 | 0 | 111.5 | S36 N41 Q42 I43 | S36-L39 PolarHBondContact O-N 2.69Å; L39-N41 VanDerWaalsContact C-N 3.35Å; L39-N41 PolarHBondContact O-N 3.49Å; L39-Q42 PolarHBondContact O-N 3.37Å; L39-I43 HydrophobicContact CD1-CD1 4.1Å; L39-I43 HydrophobicContact CD1-CG1 4.17Å; L39-I43 HydrophobicContact CG-CD1 3.88Å; L39-I43 HydrophobicContact CG-CG1 4.4Å; L39-I43 WeakPolarHBondContact O-CG1 3.23Å; L39-I43 PolarHBondContact O-N 2.95Å |
| 40 | K | 92.1 | Very high | 92.1 | Very high | 35 Ų | 35 | 47.8 Ų | 47.8 | 15% | 0.152 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.5 | -46.1 | 175.8 | -65.6 | -168.4 | -64.6 | 179.7 | 0 | 112.2 | I32 S36 I43 L44 L242 S246 | I32-K40 HydrophobicContact CG2-CG 4.11Å; S36-K40 PolarHBondContact O-N 3.23Å; K40-I43 PolarHBondContact O-N 3.16Å; K40-L44 WeakPolarHBondContact O-CB 3.4Å; K40-L44 PolarHBondContact O-N 3.3Å; K40-L242 HydrophobicContact CB-CD2 4.47Å; K40-L242 HydrophobicContact CD-CD1 4.42Å; K40-S246 PolarHBondContact NZ-OG 3.25Å |
| 41 | N | 92.1 | Very high | 92.4 | Very high | 64 Ų | 64 | 43 Ų | 43 | 34% | 0.342 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -66.8 | -38.2 | 178.2 | -69.4 | -12.9 | 0 | 0 | 0 | 112 | S37 S38 L39 L44 D45 R309 | S37-N41 PolarHBondContact O-N 3.3Å; S38-N41 PolarHBondContact O-N 3.21Å; L39-N41 VanDerWaalsContact C-N 3.35Å; L39-N41 PolarHBondContact O-N 3.49Å; N41-L44 PolarHBondContact O-N 3.36Å; N41-D45 WeakPolarHBondContact O-CB 3.26Å; N41-D45 VanDerWaalsContact O-CG 3.28Å; N41-D45 PolarHBondContact O-N 3.26Å; N41-R309 HydrophobicContact CB-CB 4.17Å |
| 42 | Q | 94.6 | Very high | 92.6 | Very high | 71 Ų | 71 | 38.4 Ų | 38.4 | 33% | 0.332 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.5 | -44.9 | 174.9 | -75.1 | 175.3 | 20.9 | 0 | 0 | 112.5 | S38 L39 L44 G46 H311 L314 | S38-Q42 WeakPolarHBondContact O-CG 3.49Å; S38-Q42 PolarHBondContact O-N 3.48Å; S38-Q42 PolarHBondContact OG-NE2 2.88Å; L39-Q42 PolarHBondContact O-N 3.37Å; Q42-L44 VanDerWaalsContact C-N 3.31Å; Q42-L44 PolarHBondContact O-N 2.89Å; Q42-G46 WeakPolarHBondContact O-CA 3.47Å; Q42-G46 PolarHBondContact O-N 3.05Å; Q42-H311 WeakPolarHBondContact CG-CD2 3.18Å; Q42-H311 WeakPolarHBondContact CG-NE2 3.22Å; Q42-L314 HydrophobicContact CB-CD2 3.8Å; Q42-L314 HydrophobicContact CG-CD2 4.15Å; Q42-L314 WeakPolarHBondContact O-CD2 3.1Å |
| 43 | I | 94 | Very high | 93 | Very high | 53 Ų | 53 | 37.5 Ų | 37.5 | 27% | 0.272 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.6 | -44.9 | 177.1 | -69.3 | 168.3 | 0 | 0 | 0 | 109.6 | I32 L39 K40 S47 L238 | I32-I43 HydrophobicContact CD1-CD1 4.47Å; I32-I43 HydrophobicContact CD1-CG2 4.03Å; I32-I43 HydrophobicContact CG1-CD1 4.23Å; I32-I43 HydrophobicContact CG2-CD1 3.84Å; L39-I43 HydrophobicContact CD1-CD1 4.1Å; L39-I43 HydrophobicContact CD1-CG1 4.17Å; L39-I43 HydrophobicContact CG-CD1 3.88Å; L39-I43 HydrophobicContact CG-CG1 4.4Å; L39-I43 WeakPolarHBondContact O-CG1 3.23Å; L39-I43 PolarHBondContact O-N 2.95Å; K40-I43 PolarHBondContact O-N 3.16Å; I43-S47 WeakPolarHBondContact O-CB 3.48Å; I43-S47 PolarHBondContact O-N 3.21Å; I43-S47 PolarHBondContact O-OG 2.98Å; I43-S47 VanDerWaalsContact O-OG 3.06Å; I43-L238 HydrophobicContact CG2-CD2 3.75Å |
| 44 | L | 92.9 | Very high | 93.6 | Very high | 6 Ų | 6 | 36.8 Ų | 36.8 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.2 | -53.4 | -179.5 | -173.7 | 50.8 | 0 | 0 | 0 | 112.3 | K40 N41 Q42 G46 S47 L48 A239 P243 R309 | K40-L44 WeakPolarHBondContact O-CB 3.4Å; K40-L44 PolarHBondContact O-N 3.3Å; N41-L44 PolarHBondContact O-N 3.36Å; Q42-L44 VanDerWaalsContact C-N 3.31Å; Q42-L44 PolarHBondContact O-N 2.89Å; L44-G46 VanDerWaalsContact C-N 3.31Å; L44-G46 PolarHBondContact O-N 2.96Å; L44-S47 WeakPolarHBondContact CA-OG 3.45Å; L44-S47 PolarHBondContact O-N 3.11Å; L44-S47 PolarHBondContact O-OG 3.45Å; L44-L48 HydrophobicContact CD1-CD1 4.15Å; L44-L48 HydrophobicContact CD1-CG 4.29Å; L44-L48 HydrophobicContact CG-CD1 4.38Å; L44-L48 WeakPolarHBondContact O-CG 3.38Å; L44-L48 PolarHBondContact O-N 2.9Å; L44-A239 VanDerWaalsContact CD1-CA 3.45Å; L44-A239 HydrophobicContact CD1-CB 3.48Å; L44-A239 VanDerWaalsContact CD1-CB 3.48Å; L44-P243 HydrophobicContact CD2-CG 4.08Å; L44-R309 VanDerWaalsContact CD2-NH2 3.31Å |
| 45 | D | 94.4 | Very high | 94 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.6 | -39.5 | 178.2 | -73.2 | -2.3 | 0 | 0 | 0 | 112.1 | N41 G49 S306 R309 H311 S315 | N41-D45 WeakPolarHBondContact O-CB 3.26Å; N41-D45 VanDerWaalsContact O-CG 3.28Å; N41-D45 PolarHBondContact O-N 3.26Å; D45-G49 PolarHBondContact O-N 3.27Å; D45-S306 WeakPolarHBondContact CA-O 3.26Å; D45-S306 WeakPolarHBondContact CB-O 3.47Å; D45-R309 VanDerWaalsContact OD1-CD 3.27Å; D45-R309 WeakPolarHBondContact OD1-CD 3.43Å; D45-R309 WeakPolarHBondContact OD1-CG 3.37Å; D45-R309 IonicContact OD1-CZ 3.4Å; D45-R309 IonicContact OD1-NE 3.89Å; D45-R309 IonicContact OD1-NH1 3.57Å; D45-R309 PolarHBondContact OD1-NH1 2.96Å; D45-R309 VanDerWaalsContact OD2-CB 3.31Å; D45-R309 WeakPolarHBondContact OD2-CB 3.43Å; D45-H311 HydrophobicContact CB-CB 4.07Å; D45-H311 WeakPolarHBondContact OD2-CB 3.49Å; D45-H311 IonicContact OD2-CG 3.78Å; D45-H311 PolarHBondContact OD2-N 3.19Å; D45-H311 IonicContact OD2-ND1 2.97Å; D45-H311 PolarHBondContact OD2-ND1 3.3Å; D45-S315 WeakPolarHBondContact O-CB 3.47Å; D45-S315 PolarHBondContact O-OG 2.89Å |
| 46 | G | 96.4 | Very high | 94.3 | Very high | 7 Ų | 7 | 30.8 Ų | 30.8 | 7% | 0.072 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.7 | -43 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q42 L44 G49 F50 M318 | Q42-G46 WeakPolarHBondContact O-CA 3.47Å; Q42-G46 PolarHBondContact O-N 3.05Å; L44-G46 VanDerWaalsContact C-N 3.31Å; L44-G46 PolarHBondContact O-N 2.96Å; G46-G49 PolarHBondContact O-N 2.97Å; G46-F50 WeakPolarHBondContact O-CB 3.47Å; G46-F50 PolarHBondContact O-N 2.84Å; G46-M318 WeakPolarHBondContact O-CB 3.08Å |
| 47 | S | 95 | Very high | 94.6 | Very high | 16 Ų | 16 | 26.6 Ų | 26.6 | 11% | 0.112 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.6 | -43.9 | 179.7 | 71.3 | 0 | 0 | 0 | 0 | 112.2 | I43 L44 F50 S51 P235 | I43-S47 WeakPolarHBondContact O-CB 3.48Å; I43-S47 PolarHBondContact O-N 3.21Å; I43-S47 PolarHBondContact O-OG 2.98Å; I43-S47 VanDerWaalsContact O-OG 3.06Å; L44-S47 WeakPolarHBondContact CA-OG 3.45Å; L44-S47 PolarHBondContact O-N 3.11Å; L44-S47 PolarHBondContact O-OG 3.45Å; S47-F50 WeakPolarHBondContact O-CB 3.49Å; S47-F50 PolarHBondContact O-N 2.68Å; S47-S51 PolarHBondContact O-N 3.39Å; S47-P235 WeakPolarHBondContact O-CB 3.18Å |
| 48 | L | 93.7 | Very high | 94.9 | Very high | 2 Ų | 2 | 22.8 Ų | 22.8 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -66.3 | -39.9 | 175.1 | -70.2 | 173.6 | 0 | 0 | 0 | 111.6 | L44 S51 S52 A239 I302 E305 | L44-L48 HydrophobicContact CD1-CD1 4.15Å; L44-L48 HydrophobicContact CD1-CG 4.29Å; L44-L48 HydrophobicContact CG-CD1 4.38Å; L44-L48 WeakPolarHBondContact O-CG 3.38Å; L44-L48 PolarHBondContact O-N 2.9Å; L48-S51 PolarHBondContact O-N 2.89Å; L48-S52 PolarHBondContact O-N 3.03Å; L48-A239 HydrophobicContact CD2-CB 3.79Å; L48-A239 HydrophobicContact CG-CB 4.3Å; L48-I302 HydrophobicContact CB-CG2 4.31Å; L48-I302 VanDerWaalsContact O-CG2 3.25Å; L48-I302 WeakPolarHBondContact O-CG2 3.3Å; L48-E305 HydrophobicContact CD1-CB 4.47Å; L48-E305 HydrophobicContact CD1-CG 3.92Å |
| 49 | G | 96.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -59.9 | -46.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | D45 G46 S51 S52 G53 S315 A319 | D45-G49 PolarHBondContact O-N 3.27Å; G46-G49 PolarHBondContact O-N 2.97Å; G49-S51 VanDerWaalsContact C-N 3.34Å; G49-S51 PolarHBondContact O-N 3.41Å; G49-S52 PolarHBondContact O-N 3.21Å; G49-S52 PolarHBondContact O-OG 3.43Å; G49-G53 PolarHBondContact O-N 2.76Å; G49-G53 VanDerWaalsContact O-N 3.08Å; G49-S315 VanDerWaalsContact CA-OG 3.29Å; G49-S315 WeakPolarHBondContact CA-OG 3.21Å; G49-A319 WeakPolarHBondContact O-CA 3.33Å; G49-A319 WeakPolarHBondContact O-CB 3.31Å; G49-A319 PolarHBondContact O-N 3.25Å |
| 50 | F | 97.5 | Very high | 95.2 | Very high | 34 Ų | 34 | 21.1 Ų | 21.1 | 15% | 0.149 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -55.7 | -47 | 174.9 | 176.9 | -94.2 | 0 | 0 | 0 | 112.6 | G46 S47 G53 I54 I231 P235 M318 I321 I325 | G46-F50 WeakPolarHBondContact O-CB 3.47Å; G46-F50 PolarHBondContact O-N 2.84Å; S47-F50 WeakPolarHBondContact O-CB 3.49Å; S47-F50 PolarHBondContact O-N 2.68Å; F50-G53 PolarHBondContact O-N 3.09Å; F50-I54 HydrophobicContact CD1-CG1 4.32Å; F50-I54 HydrophobicContact CE1-CD1 4.27Å; F50-I54 HydrophobicContact CE1-CG1 3.91Å; F50-I54 HydrophobicContact CZ-CD1 3.98Å; F50-I54 HydrophobicContact CZ-CG1 4.06Å; F50-I54 WeakPolarHBondContact O-CG1 3.43Å; F50-I54 PolarHBondContact O-N 3.28Å; F50-I54 VanDerWaalsContact O-N 3.14Å; F50-I231 HydrophobicContact CE1-CG2 3.64Å; F50-I231 HydrophobicContact CZ-CG2 3.7Å; F50-P235 HydrophobicContact CD1-CG 3.88Å; F50-P235 HydrophobicContact CE1-CG 4.46Å; F50-M318 WeakPolarHBondContact CA-O 3.44Å; F50-M318 HydrophobicContact CB-CB 4.14Å; F50-I321 HydrophobicContact CD2-CG2 4.37Å; F50-I321 HydrophobicContact CE2-CG2 4.25Å; F50-I325 HydrophobicContact CE2-CD1 3.85Å; F50-I325 HydrophobicContact CZ-CD1 4.19Å |
| 51 | S | 95.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59.2 | -48.3 | 176.8 | 145.3 | 0 | 0 | 0 | 0 | 111.8 | S47 L48 G49 G53 I54 M55 Q232 | S47-S51 PolarHBondContact O-N 3.39Å; L48-S51 PolarHBondContact O-N 2.89Å; G49-S51 VanDerWaalsContact C-N 3.34Å; G49-S51 PolarHBondContact O-N 3.41Å; S51-G53 PolarHBondContact O-N 3.06Å; S51-G53 VanDerWaalsContact O-N 3.15Å; S51-I54 PolarHBondContact O-N 2.91Å; S51-I54 VanDerWaalsContact O-N 3.08Å; S51-M55 WeakPolarHBondContact O-CG 3.49Å; S51-M55 PolarHBondContact O-N 3.16Å; S51-Q232 VanDerWaalsContact CB-OE1 3.24Å; S51-Q232 PolarHBondContact O-OE1 3.2Å; S51-Q232 PolarHBondContact OG-OE1 3.5Å |
| 52 | S | 96.1 | Very high | 95.1 | Very high | 4 Ų | 4 | 20.5 Ų | 20.5 | 3% | 0.028 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -56.2 | -38.7 | 176.8 | 82.6 | 0 | 0 | 0 | 0 | 112.3 | L48 G49 L56 | L48-S52 PolarHBondContact O-N 3.03Å; G49-S52 PolarHBondContact O-N 3.21Å; G49-S52 PolarHBondContact O-OG 3.43Å; S52-L56 VanDerWaalsContact O-CG 3.24Å; S52-L56 WeakPolarHBondContact O-CG 3.49Å; S52-L56 PolarHBondContact O-N 3.4Å |
| 53 | G | 97.5 | Very high | 95.1 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.01 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -59.7 | -51.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | G49 F50 S51 M55 A57 A319 F323 | G49-G53 PolarHBondContact O-N 2.76Å; G49-G53 VanDerWaalsContact O-N 3.08Å; F50-G53 PolarHBondContact O-N 3.09Å; S51-G53 PolarHBondContact O-N 3.06Å; S51-G53 VanDerWaalsContact O-N 3.15Å; G53-M55 VanDerWaalsContact C-N 3.34Å; G53-M55 PolarHBondContact O-N 3.24Å; G53-A57 PolarHBondContact O-N 3.29Å; G53-A319 WeakPolarHBondContact CA-O 3.13Å; G53-F323 VanDerWaalsContact O-CA 3.3Å; G53-F323 WeakPolarHBondContact O-CA 3.17Å |
| 54 | I | 96.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 15.4 Ų | 15.4 | 1% | 0.005 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -58.7 | -48.1 | 178.7 | -64.8 | -82.1 | 0 | 0 | 0 | 110.1 | F50 S51 A57 A58 G228 I231 Q232 G322 I325 M326 | F50-I54 HydrophobicContact CD1-CG1 4.32Å; F50-I54 HydrophobicContact CE1-CD1 4.27Å; F50-I54 HydrophobicContact CE1-CG1 3.91Å; F50-I54 HydrophobicContact CZ-CD1 3.98Å; F50-I54 HydrophobicContact CZ-CG1 4.06Å; F50-I54 WeakPolarHBondContact O-CG1 3.43Å; F50-I54 PolarHBondContact O-N 3.28Å; F50-I54 VanDerWaalsContact O-N 3.14Å; S51-I54 PolarHBondContact O-N 2.91Å; S51-I54 VanDerWaalsContact O-N 3.08Å; I54-A57 PolarHBondContact O-N 3.42Å; I54-A58 WeakPolarHBondContact O-CB 3.5Å; I54-A58 PolarHBondContact O-N 3.11Å; I54-G228 WeakPolarHBondContact CG2-O 3.25Å; I54-I231 HydrophobicContact CD1-CG2 4.24Å; I54-Q232 HydrophobicContact CB-CB 3.89Å; I54-Q232 HydrophobicContact CB-CG 4.26Å; I54-Q232 HydrophobicContact CG1-CB 4.08Å; I54-Q232 HydrophobicContact CG2-CB 3.88Å; I54-Q232 HydrophobicContact CG2-CG 3.86Å; I54-G322 WeakPolarHBondContact CD1-O 3.19Å; I54-I325 HydrophobicContact CD1-CB 4.25Å; I54-I325 HydrophobicContact CD1-CG2 4.15Å; I54-M326 HydrophobicContact CD1-CB 4.09Å; I54-M326 HydrophobicContact CG2-CB 4.39Å; I54-M326 HydrophobicContact CG2-CG 4.47Å; I54-M326 HydrophobicContact CG2-SD 4.23Å |
| 55 | M | 95.5 | Very high | 95.1 | Very high | 3 Ų | 3 | 18.7 Ų | 18.7 | 2% | 0.015 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -64.5 | -42 | -177.3 | -70.1 | 174.5 | 71.1 | 0 | 0 | 114.3 | S51 G53 A57 A58 S59 H196 Q232 M294 V298 I302 | S51-M55 WeakPolarHBondContact O-CG 3.49Å; S51-M55 PolarHBondContact O-N 3.16Å; G53-M55 VanDerWaalsContact C-N 3.34Å; G53-M55 PolarHBondContact O-N 3.24Å; M55-A57 VanDerWaalsContact C-N 3.31Å; M55-A57 PolarHBondContact O-N 3.4Å; M55-A58 PolarHBondContact O-N 3.26Å; M55-S59 WeakPolarHBondContact O-CB 3.45Å; M55-S59 PolarHBondContact O-N 3.45Å; M55-S59 PolarHBondContact O-OG 3.44Å; M55-H196 WeakPolarHBondContact CE-NE2 3.36Å; M55-H196 PolarHBondContact SD-CE1 2.94Å; M55-H196 PolarHBondContact SD-NE2 3Å; M55-Q232 PolarHBondContact SD-OE1 2.96Å; M55-Q232 VanDerWaalsContact SD-OE1 3.37Å; M55-M294 HydrophobicContact CB-CG 4.12Å; M55-M294 HydrophobicContact CB-SD 4.15Å; M55-M294 HydrophobicContact CE-CB 4.41Å; M55-M294 HydrophobicContact CE-CG 3.32Å; M55-M294 HydrophobicContact CE-SD 4.42Å; M55-M294 HydrophobicContact CG-CG 4.42Å; M55-M294 HydrophobicContact CG-SD 4.46Å; M55-V298 HydrophobicContact CB-CG2 3.54Å; M55-V298 HydrophobicContact CE-CG2 3.26Å; M55-V298 HydrophobicContact CG-CG2 4.25Å; M55-V298 HydrophobicContact SD-CG2 3.56Å; M55-V298 VanDerWaalsContact SD-CG2 3.56Å; M55-I302 HydrophobicContact SD-CG1 4.48Å |
| 56 | L | 96.9 | Very high | 94.9 | Very high | 41 Ų | 41 | 18.9 Ų | 18.9 | 22% | 0.215 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -58.6 | -48.9 | 176.4 | -74.9 | 170.8 | 0 | 0 | 0 | 109.8 | S52 S59 F60 L295 V298 I303 F323 | S52-L56 VanDerWaalsContact O-CG 3.24Å; S52-L56 WeakPolarHBondContact O-CG 3.49Å; S52-L56 PolarHBondContact O-N 3.4Å; L56-S59 WeakPolarHBondContact O-CB 3.5Å; L56-S59 PolarHBondContact O-N 3.25Å; L56-F60 WeakPolarHBondContact O-CD2 3.19Å; L56-F60 PolarHBondContact O-N 3.17Å; L56-L295 HydrophobicContact CD2-CD2 3.76Å; L56-V298 HydrophobicContact CD1-CG1 4.17Å; L56-V298 HydrophobicContact CD2-CB 4.31Å; L56-V298 HydrophobicContact CD2-CG1 3.73Å; L56-V298 HydrophobicContact CG-CG1 3.79Å; L56-I303 HydrophobicContact CD1-CD1 4.38Å; L56-F323 HydrophobicContact CB-CD2 4.08Å; L56-F323 HydrophobicContact CB-CE2 4.22Å |
| 57 | A | 96.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62 | -48 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | G53 I54 M55 S59 F60 W61 F323 M326 | G53-A57 PolarHBondContact O-N 3.29Å; I54-A57 PolarHBondContact O-N 3.42Å; M55-A57 VanDerWaalsContact C-N 3.31Å; M55-A57 PolarHBondContact O-N 3.4Å; A57-S59 VanDerWaalsContact C-N 3.26Å; A57-S59 PolarHBondContact O-N 3.25Å; A57-F60 PolarHBondContact O-N 3.23Å; A57-F60 VanDerWaalsContact O-N 3.09Å; A57-W61 HydrophobicContact CB-CE3 3.82Å; A57-W61 HydrophobicContact CB-CZ3 3.8Å; A57-W61 VanDerWaalsContact O-CE3 3.28Å; A57-W61 PolarHBondContact O-N 3.49Å; A57-F323 HydrophobicContact CB-CD2 3.74Å; A57-F323 HydrophobicContact CB-CE2 3.98Å; A57-F323 HydrophobicContact CB-CG 4.09Å; A57-M326 HydrophobicContact CB-CB 3.56Å; A57-M326 HydrophobicContact CB-CG 3.62Å |
| 58 | A | 94.5 | Very high | 94.7 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.008 | 10% | 0.098 | C | C | . | . | I | π-helix | trans | -58.5 | -38.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | I54 M55 F60 S62 L63 L225 M294 M326 | I54-A58 WeakPolarHBondContact O-CB 3.5Å; I54-A58 PolarHBondContact O-N 3.11Å; M55-A58 PolarHBondContact O-N 3.26Å; A58-F60 VanDerWaalsContact C-N 3.33Å; A58-F60 PolarHBondContact O-N 3.42Å; A58-S62 CarbonylContact O-C 3.57Å; A58-S62 WeakPolarHBondContact O-CA 3.45Å; A58-S62 WeakPolarHBondContact O-CB 3.46Å; A58-S62 PolarHBondContact O-N 3.15Å; A58-L63 PolarHBondContact O-N 2.97Å; A58-L63 VanDerWaalsContact O-N 3.14Å; A58-L225 HydrophobicContact CB-CD1 4.19Å; A58-M294 HydrophobicContact CB-SD 4.36Å; A58-M326 HydrophobicContact CB-CE 3.85Å; A58-M326 HydrophobicContact CB-CG 4.2Å; A58-M326 HydrophobicContact CB-SD 4.28Å |
| 59 | S | 95.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.109 | C | C | . | . | I | π-helix | trans | -60.1 | -41.3 | 176.2 | -62.7 | 0 | 0 | 0 | 0 | 112.2 | M55 L56 A57 L64 M294 | M55-S59 WeakPolarHBondContact O-CB 3.45Å; M55-S59 PolarHBondContact O-N 3.45Å; M55-S59 PolarHBondContact O-OG 3.44Å; L56-S59 WeakPolarHBondContact O-CB 3.5Å; L56-S59 PolarHBondContact O-N 3.25Å; A57-S59 VanDerWaalsContact C-N 3.26Å; A57-S59 PolarHBondContact O-N 3.25Å; S59-L64 WeakPolarHBondContact O-CB 3.33Å; S59-L64 WeakPolarHBondContact O-CG 3.47Å; S59-L64 PolarHBondContact O-N 3.39Å; S59-M294 WeakPolarHBondContact OG-CG 3.24Å; S59-M294 PolarHBondContact OG-SD 3.12Å; S59-M294 VanDerWaalsContact OG-SD 3.33Å |
| 60 | F | 94.1 | Very high | 94.2 | Very high | 104 Ų | 104 | 23.5 Ų | 23.5 | 46% | 0.456 | 11% | 0.11 | S | C | . | . | I | π-helix | trans | -78.1 | -58 | 179.8 | -71.7 | -70.5 | 0 | 0 | 0 | 112.6 | L56 A57 A58 L64 E65 L295 | L56-F60 WeakPolarHBondContact O-CD2 3.19Å; L56-F60 PolarHBondContact O-N 3.17Å; A57-F60 PolarHBondContact O-N 3.23Å; A57-F60 VanDerWaalsContact O-N 3.09Å; A58-F60 VanDerWaalsContact C-N 3.33Å; A58-F60 PolarHBondContact O-N 3.42Å; F60-L64 HydrophobicContact CD1-CD1 3.96Å; F60-L64 HydrophobicContact CE1-CD1 4.2Å; F60-L64 PolarHBondContact O-N 3.16Å; F60-E65 WeakPolarHBondContact O-CB 3.41Å; F60-E65 PolarHBondContact O-N 2.95Å; F60-L295 HydrophobicContact CE2-CD2 4.48Å |
| 61 | W | 92.3 | Very high | 93.9 | Very high | 76 Ų | 76 | 21.9 Ų | 21.9 | 29% | 0.288 | 10% | 0.103 | S | C | . | . | I | π-helix | trans | -82.9 | -38.2 | -169.5 | -77.9 | -74.2 | 0 | 0 | 0 | 113.8 | A57 E65 P66 F323 E330 | A57-W61 HydrophobicContact CB-CE3 3.82Å; A57-W61 HydrophobicContact CB-CZ3 3.8Å; A57-W61 VanDerWaalsContact O-CE3 3.28Å; A57-W61 PolarHBondContact O-N 3.49Å; W61-E65 VanDerWaalsContact CD1-OE2 3.26Å; W61-P66 WeakPolarHBondContact O-CD 3.27Å; W61-F323 AromaticContact CH2-CE1 3.59Å; W61-F323 HydrophobicContact CH2-CE1 3.59Å; W61-F323 HydrophobicContact CH2-CE2 4.42Å; W61-F323 AromaticContact CH2-CZ 3.4Å; W61-F323 HydrophobicContact CH2-CZ 3.4Å; W61-F323 VanDerWaalsContact CH2-CZ 3.4Å; W61-F323 AromaticContact CZ3-CE1 3.63Å; W61-F323 HydrophobicContact CZ3-CE1 3.63Å; W61-F323 AromaticContact CZ3-CE2 3.9Å; W61-F323 HydrophobicContact CZ3-CE2 3.9Å; W61-F323 AromaticContact CZ3-CZ 3.28Å; W61-F323 HydrophobicContact CZ3-CZ 3.28Å; W61-E330 HydrophobicContact CB-CB 4.44Å; W61-E330 HydrophobicContact CB-CG 3.98Å |
| 62 | S | 91.6 | Very high | 93.7 | Very high | 10 Ų | 10 | 27.8 Ų | 27.8 | 7% | 0.07 | 13% | 0.129 | C | C | . | . | I | π-helix | trans | -96.7 | -13.1 | -173.2 | -47.4 | 0 | 0 | 0 | 0 | 112.8 | A58 M326 E330 | A58-S62 CarbonylContact O-C 3.57Å; A58-S62 WeakPolarHBondContact O-CA 3.45Å; A58-S62 WeakPolarHBondContact O-CB 3.46Å; A58-S62 PolarHBondContact O-N 3.15Å; S62-M326 WeakPolarHBondContact OG-CE 3.23Å; S62-E330 PolarHBondContact OG-OE2 3.26Å |
| 63 | L | 93.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | I | π-helix | trans | -120.4 | -64 | -180 | -59.9 | 177.4 | 0 | 0 | 0 | 112.9 | A58 A67 A203 L225 L287 A290 A291 M294 | A58-L63 PolarHBondContact O-N 2.97Å; A58-L63 VanDerWaalsContact O-N 3.14Å; L63-A67 VanDerWaalsContact O-CB 3.25Å; L63-A67 WeakPolarHBondContact O-CB 3.34Å; L63-A67 PolarHBondContact O-N 3.16Å; L63-A203 HydrophobicContact CD1-CB 4.1Å; L63-A203 HydrophobicContact CD2-CB 3.98Å; L63-L225 HydrophobicContact CD2-CD2 3.8Å; L63-L287 HydrophobicContact CD2-CD2 3.62Å; L63-A290 HydrophobicContact CD1-CB 4.06Å; L63-A290 HydrophobicContact CD2-CB 4.41Å; L63-A291 HydrophobicContact CB-CB 3.81Å; L63-A291 HydrophobicContact CD1-CB 4.08Å; L63-M294 HydrophobicContact CD1-CE 4.26Å; L63-M294 HydrophobicContact CD1-SD 4.31Å |
| 64 | L | 95.1 | Very high | 92.6 | Very high | 18 Ų | 18 | 35.4 Ų | 35.4 | 9% | 0.094 | 17% | 0.168 | C | C | . | . | I | π-helix | trans | -68.1 | -44.1 | -173.1 | -71.1 | 170.2 | 0 | 0 | 0 | 113.3 | S59 F60 A67 L68 V85 L89 A291 L295 | S59-L64 WeakPolarHBondContact O-CB 3.33Å; S59-L64 WeakPolarHBondContact O-CG 3.47Å; S59-L64 PolarHBondContact O-N 3.39Å; F60-L64 HydrophobicContact CD1-CD1 3.96Å; F60-L64 HydrophobicContact CE1-CD1 4.2Å; F60-L64 PolarHBondContact O-N 3.16Å; L64-A67 WeakPolarHBondContact O-CB 3.36Å; L64-A67 PolarHBondContact O-N 2.91Å; L64-L68 WeakPolarHBondContact O-CB 3.4Å; L64-L68 VanDerWaalsContact O-CG 3.28Å; L64-L68 WeakPolarHBondContact O-CG 3.29Å; L64-L68 PolarHBondContact O-N 2.95Å; L64-V85 HydrophobicContact CD2-CG1 3.52Å; L64-L89 HydrophobicContact CD1-CD1 4.38Å; L64-L89 HydrophobicContact CD2-CD1 4.01Å; L64-A291 HydrophobicContact CD1-CB 4.28Å; L64-A291 HydrophobicContact CD2-CB 3.71Å; L64-A291 HydrophobicContact CG-CB 3.63Å; L64-L295 HydrophobicContact CD1-CD1 4.34Å |
| 65 | E | 92.7 | Very high | 92.1 | Very high | 74 Ų | 74 | 37.7 Ų | 37.7 | 35% | 0.346 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -61.5 | -52.4 | 178.5 | 168.9 | 171.6 | -160.5 | 0 | 0 | 112 | F60 W61 A67 L68 E69 R216 | F60-E65 WeakPolarHBondContact O-CB 3.41Å; F60-E65 PolarHBondContact O-N 2.95Å; W61-E65 VanDerWaalsContact CD1-OE2 3.26Å; E65-A67 VanDerWaalsContact C-N 3.28Å; E65-A67 PolarHBondContact O-N 3.08Å; E65-L68 PolarHBondContact O-N 3.25Å; E65-E69 PolarHBondContact O-N 3.37Å; E65-R216 IonicContact OE1-CZ 3.56Å; E65-R216 IonicContact OE1-NH2 2.96Å |
| 66 | P | 90.1 | Very high | 91.7 | Very high | 5 Ų | 5 | 40.4 Ų | 40.4 | 3% | 0.032 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57 | -39.3 | 172.6 | -28 | 34.7 | 0 | 0 | 0 | 113 | W61 E69 M70 L287 | W61-P66 WeakPolarHBondContact O-CD 3.27Å; P66-E69 PolarHBondContact O-N 2.9Å; P66-M70 HydrophobicContact CB-CE 3.98Å; P66-M70 WeakPolarHBondContact O-CB 3.43Å; P66-M70 WeakPolarHBondContact O-CG 3.38Å; P66-M70 PolarHBondContact O-N 2.82Å; P66-L287 HydrophobicContact CB-CD1 4.21Å |
| 67 | A | 92.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.6 | -44.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L63 L64 E65 A71 V85 L287 | L63-A67 VanDerWaalsContact O-CB 3.25Å; L63-A67 WeakPolarHBondContact O-CB 3.34Å; L63-A67 PolarHBondContact O-N 3.16Å; L64-A67 WeakPolarHBondContact O-CB 3.36Å; L64-A67 PolarHBondContact O-N 2.91Å; E65-A67 VanDerWaalsContact C-N 3.28Å; E65-A67 PolarHBondContact O-N 3.08Å; A67-A71 WeakPolarHBondContact O-CB 3.39Å; A67-A71 PolarHBondContact O-N 3.28Å; A67-V85 HydrophobicContact CB-CB 4.5Å; A67-V85 HydrophobicContact CB-CG1 4Å; A67-V85 HydrophobicContact CB-CG2 3.72Å; A67-L287 HydrophobicContact CB-CB 3.65Å; A67-L287 HydrophobicContact CB-CD1 4.12Å |
| 68 | L | 93.8 | Very high | 91.1 | Very high | 62 Ų | 62 | 42.9 Ų | 42.9 | 33% | 0.325 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.9 | -41 | 179 | -74.4 | 168.1 | 0 | 0 | 0 | 111.3 | L64 E65 A71 K72 V82 V85 | L64-L68 WeakPolarHBondContact O-CB 3.4Å; L64-L68 VanDerWaalsContact O-CG 3.28Å; L64-L68 WeakPolarHBondContact O-CG 3.29Å; L64-L68 PolarHBondContact O-N 2.95Å; E65-L68 PolarHBondContact O-N 3.25Å; L68-A71 PolarHBondContact O-N 3.12Å; L68-K72 VanDerWaalsContact O-CB 3.26Å; L68-K72 WeakPolarHBondContact O-CB 3.1Å; L68-K72 PolarHBondContact O-N 2.93Å; L68-V82 HydrophobicContact CD2-CB 4.43Å; L68-V82 HydrophobicContact CD2-CG1 3.97Å; L68-V85 HydrophobicContact CD2-CB 4.04Å; L68-V85 HydrophobicContact CD2-CG1 4.32Å; L68-V85 HydrophobicContact CD2-CG2 3.85Å; L68-V85 HydrophobicContact CG-CB 4.46Å; L68-V85 HydrophobicContact CG-CG1 4.3Å; L68-V85 HydrophobicContact CG-CG2 4.12Å |
| 69 | E | 90.5 | Very high | 90.8 | Very high | 55 Ų | 55 | 47 Ų | 47 | 26% | 0.257 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.8 | -46 | 178.3 | -169.8 | 169.7 | 155.7 | 0 | 0 | 111.8 | E65 P66 A71 K72 I73 R216 | E65-E69 PolarHBondContact O-N 3.37Å; P66-E69 PolarHBondContact O-N 2.9Å; E69-A71 VanDerWaalsContact C-N 3.33Å; E69-A71 PolarHBondContact O-N 3.36Å; E69-K72 PolarHBondContact O-N 3.06Å; E69-K72 VanDerWaalsContact O-N 3.1Å; E69-I73 HydrophobicContact CG-CD1 3.63Å; E69-I73 HydrophobicContact CG-CG1 4.27Å; E69-I73 PolarHBondContact O-N 3.07Å; E69-R216 VanDerWaalsContact CD-CD 3.41Å; E69-R216 WeakPolarHBondContact OE2-CD 3.47Å; E69-R216 IonicContact OE2-CZ 3.7Å; E69-R216 IonicContact OE2-NE 3.93Å; E69-R216 PolarHBondContact OE2-NE 3.06Å; E69-R216 IonicContact OE2-NH1 2.73Å; E69-R216 PolarHBondContact OE2-NH1 3.38Å |
| 70 | M | 88.8 | Confident | 90.7 | Very high | 4 Ų | 4 | 54.6 Ų | 54.6 | 2% | 0.02 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.3 | -42.5 | 175.2 | -69.1 | 171.2 | -160.8 | 0 | 0 | 111.7 | P66 K72 D74 L75 Y214 A217 Q283 P284 L287 | P66-M70 HydrophobicContact CB-CE 3.98Å; P66-M70 WeakPolarHBondContact O-CB 3.43Å; P66-M70 WeakPolarHBondContact O-CG 3.38Å; P66-M70 PolarHBondContact O-N 2.82Å; M70-K72 VanDerWaalsContact C-N 3.3Å; M70-K72 PolarHBondContact O-N 3.04Å; M70-D74 WeakPolarHBondContact CA-OD2 3.37Å; M70-D74 WeakPolarHBondContact O-CA 3.26Å; M70-D74 VanDerWaalsContact O-CB 3.3Å; M70-D74 WeakPolarHBondContact O-CB 3.37Å; M70-D74 PolarHBondContact O-N 3.36Å; M70-L75 PolarHBondContact O-N 2.85Å; M70-Y214 HydrophobicContact CG-CD2 4.45Å; M70-Y214 HydrophobicContact CG-CG 4.11Å; M70-Y214 HydrophobicContact SD-CD2 4.06Å; M70-Y214 HydrophobicContact SD-CG 4.28Å; M70-A217 HydrophobicContact CE-CB 3.96Å; M70-Q283 VanDerWaalsContact CE-NE2 3.34Å; M70-Q283 HydrophobicContact SD-CG 3.87Å; M70-Q283 PolarHBondContact SD-NE2 3.43Å; M70-P284 HydrophobicContact CB-CG 3.97Å; M70-L287 HydrophobicContact CE-CD1 3.99Å; M70-L287 HydrophobicContact SD-CD1 3.81Å |
| 71 | A | 91.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67 | -31.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A67 L68 E69 L75 L77 C81 P84 V85 P284 | A67-A71 WeakPolarHBondContact O-CB 3.39Å; A67-A71 PolarHBondContact O-N 3.28Å; L68-A71 PolarHBondContact O-N 3.12Å; E69-A71 VanDerWaalsContact C-N 3.33Å; E69-A71 PolarHBondContact O-N 3.36Å; A71-L75 HydrophobicContact CB-CD1 4.2Å; A71-L75 WeakPolarHBondContact O-CB 3.31Å; A71-L77 WeakPolarHBondContact O-CB 3.29Å; A71-L77 PolarHBondContact O-N 3.41Å; A71-C81 HydrophobicContact CB-CB 3.65Å; A71-P84 HydrophobicContact CB-CG 3.72Å; A71-V85 HydrophobicContact CB-CG2 4.39Å; A71-P284 HydrophobicContact CB-CB 3.92Å; A71-P284 HydrophobicContact CB-CG 4.19Å |
| 72 | K | 92.1 | Very high | 90.8 | Very high | 125 Ų | 125 | 49.3 Ų | 49.3 | 54% | 0.543 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -74.7 | -49.2 | 179.3 | -175.5 | 179 | 178.4 | -175.2 | 0 | 111.9 | L68 E69 M70 C81 | L68-K72 VanDerWaalsContact O-CB 3.26Å; L68-K72 WeakPolarHBondContact O-CB 3.1Å; L68-K72 PolarHBondContact O-N 2.93Å; E69-K72 PolarHBondContact O-N 3.06Å; E69-K72 VanDerWaalsContact O-N 3.1Å; M70-K72 VanDerWaalsContact C-N 3.3Å; M70-K72 PolarHBondContact O-N 3.04Å; K72-C81 HydrophobicContact CB-CB 3.83Å |
| 73 | I | 86.5 | Confident | 90.9 | Very high | 94 Ų | 94 | 54.7 Ų | 54.7 | 48% | 0.482 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -82.3 | -55.5 | -173.9 | -60.8 | 178.2 | 0 | 0 | 0 | 110.3 | E69 G76 | E69-I73 HydrophobicContact CG-CD1 3.63Å; E69-I73 HydrophobicContact CG-CG1 4.27Å; E69-I73 PolarHBondContact O-N 3.07Å; I73-G76 PolarHBondContact O-N 2.98Å |
| 74 | D | 83.3 | Confident | 91 | Very high | 70 Ų | 70 | 54.8 Ų | 54.8 | 37% | 0.374 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -32.2 | -165.4 | -55.3 | -72.3 | 0 | 0 | 0 | 113.8 | M70 G76 Y214 | M70-D74 WeakPolarHBondContact CA-OD2 3.37Å; M70-D74 WeakPolarHBondContact O-CA 3.26Å; M70-D74 VanDerWaalsContact O-CB 3.3Å; M70-D74 WeakPolarHBondContact O-CB 3.37Å; M70-D74 PolarHBondContact O-N 3.36Å; D74-G76 VanDerWaalsContact C-N 3.31Å; D74-Y214 HydrophobicContact CB-CD1 3.61Å; D74-Y214 HydrophobicContact CB-CE1 3.52Å; D74-Y214 WeakPolarHBondContact OD2-CD1 3.47Å |
| 75 | L | 86 | Confident | 91 | Very high | 49 Ų | 49 | 54.1 Ų | 54.1 | 26% | 0.257 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -84.8 | -7.2 | 169.8 | -60.4 | 176.9 | 0 | 0 | 0 | 112.4 | M70 A71 L77 P84 R281 P284 | M70-L75 PolarHBondContact O-N 2.85Å; A71-L75 HydrophobicContact CB-CD1 4.2Å; A71-L75 WeakPolarHBondContact O-CB 3.31Å; L75-L77 HydrophobicContact CB-CD1 3.84Å; L75-L77 HydrophobicContact CB-CG 3.75Å; L75-L77 HydrophobicContact CD1-CD1 3.9Å; L75-L77 PolarHBondContact O-N 3Å; L75-P84 HydrophobicContact CD1-CG 4.41Å; L75-R281 HydrophobicContact CD2-CB 4.28Å; L75-R281 HydrophobicContact CD2-CG 4.13Å; L75-P284 HydrophobicContact CD1-CG 4Å |
| 76 | G | 87 | Confident | 91.2 | Very high | 60 Ų | 60 | 54.5 Ų | 54.5 | 62% | 0.619 | 30% | 0.302 | S | S | * | . | trans | 62.3 | 23.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | I73 D74 G78 | I73-G76 PolarHBondContact O-N 2.98Å; D74-G76 VanDerWaalsContact C-N 3.31Å; G76-G78 VanDerWaalsContact C-N 3.32Å; G76-G78 PolarHBondContact O-N 3.5Å | ||
| 77 | L | 90.6 | Very high | 91.5 | Very high | 62 Ų | 62 | 57.1 Ų | 57.1 | 33% | 0.325 | 32% | 0.32 | S | S | . | . | trans | -80 | -12.1 | -172.4 | -65.8 | 174.4 | 0 | 0 | 0 | 113.5 | A71 L75 A79 Y80 C81 P84 | A71-L77 WeakPolarHBondContact O-CB 3.29Å; A71-L77 PolarHBondContact O-N 3.41Å; L75-L77 HydrophobicContact CB-CD1 3.84Å; L75-L77 HydrophobicContact CB-CG 3.75Å; L75-L77 HydrophobicContact CD1-CD1 3.9Å; L75-L77 PolarHBondContact O-N 3Å; L77-A79 PolarHBondContact O-N 2.9Å; L77-Y80 WeakPolarHBondContact O-CB 3.39Å; L77-Y80 WeakPolarHBondContact O-CD2 3.15Å; L77-Y80 PolarHBondContact O-N 3.26Å; L77-C81 HydrophobicContact CB-CB 4.45Å; L77-P84 HydrophobicContact CD1-CG 3.79Å | ||
| 78 | G | 89.9 | Confident | 91.7 | Very high | 32 Ų | 32 | 57.2 Ų | 57.2 | 33% | 0.33 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | 55.7 | -124.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | G76 Y80 C81 | G76-G78 VanDerWaalsContact C-N 3.32Å; G76-G78 PolarHBondContact O-N 3.5Å; G78-Y80 PolarHBondContact O-N 3.41Å; G78-C81 VanDerWaalsContact O-CB 3.32Å; G78-C81 WeakPolarHBondContact O-CB 3.25Å; G78-C81 PolarHBondContact O-N 3.44Å; G78-C81 PolarHBondContact O-SG 3.37Å |
| 79 | A | 89.8 | Confident | 91.9 | Very high | 87 Ų | 87 | 56.2 Ų | 56.2 | 72% | 0.719 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -66.2 | -21.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L77 C81 | L77-A79 PolarHBondContact O-N 2.9Å; A79-C81 PolarHBondContact O-N 3.2Å |
| 80 | Y | 93 | Very high | 92.2 | Very high | 159 Ų | 159 | 60.3 Ų | 60.3 | 62% | 0.624 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -75.5 | 2.3 | 176.7 | -59.5 | -85.3 | 0 | 0 | 0 | 112.7 | L77 G78 V82 F83 P84 | L77-Y80 WeakPolarHBondContact O-CB 3.39Å; L77-Y80 WeakPolarHBondContact O-CD2 3.15Å; L77-Y80 PolarHBondContact O-N 3.26Å; G78-Y80 PolarHBondContact O-N 3.41Å; Y80-V82 PolarHBondContact O-N 3.44Å; Y80-F83 AromaticContact CD1-CD2 3.88Å; Y80-F83 HydrophobicContact CD1-CD2 3.88Å; Y80-F83 AromaticContact CD1-CE2 3.47Å; Y80-F83 HydrophobicContact CD1-CE2 3.47Å; Y80-F83 VanDerWaalsContact CD1-CE2 3.47Å; Y80-F83 HydrophobicContact CD1-CZ 4.45Å; Y80-F83 HydrophobicContact CE1-CE2 4.23Å; Y80-F83 HydrophobicContact CG-CD2 4.43Å; Y80-F83 HydrophobicContact CG-CE2 4.36Å; Y80-F83 WeakPolarHBondContact O-CD2 3.43Å; Y80-F83 PolarHBondContact O-N 3.4Å; Y80-P84 WeakPolarHBondContact O-CD 3.42Å |
| 81 | C | 92.8 | Very high | 92.6 | Very high | 13 Ų | 13 | 65 Ų | 65 | 9% | 0.088 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -60 | -23.1 | 175.1 | 69.2 | 0 | 0 | 0 | 0 | 113.4 | A71 K72 L77 G78 A79 F83 P84 | A71-C81 HydrophobicContact CB-CB 3.65Å; K72-C81 HydrophobicContact CB-CB 3.83Å; L77-C81 HydrophobicContact CB-CB 4.45Å; G78-C81 VanDerWaalsContact O-CB 3.32Å; G78-C81 WeakPolarHBondContact O-CB 3.25Å; G78-C81 PolarHBondContact O-N 3.44Å; G78-C81 PolarHBondContact O-SG 3.37Å; A79-C81 PolarHBondContact O-N 3.2Å; C81-F83 VanDerWaalsContact C-N 3.31Å; C81-F83 PolarHBondContact O-N 2.84Å; C81-P84 VanDerWaalsContact O-CD 3.23Å; C81-P84 WeakPolarHBondContact O-CD 3.32Å; C81-P84 WeakPolarHBondContact O-CG 3.14Å |
| 82 | V | 95 | Very high | 92.7 | Very high | 57 Ų | 57 | 65 Ų | 65 | 35% | 0.345 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.8 | -31.9 | 178.1 | -62.2 | 0 | 0 | 0 | 0 | 112.8 | L68 Y80 V85 I86 | L68-V82 HydrophobicContact CD2-CB 4.43Å; L68-V82 HydrophobicContact CD2-CG1 3.97Å; Y80-V82 PolarHBondContact O-N 3.44Å; V82-V85 PolarHBondContact O-N 3.4Å; V82-I86 HydrophobicContact CB-CD1 4.06Å; V82-I86 VanDerWaalsContact O-CB 3.28Å; V82-I86 WeakPolarHBondContact O-CB 3.38Å; V82-I86 WeakPolarHBondContact O-CG1 3.34Å; V82-I86 PolarHBondContact O-N 3.44Å |
| 83 | F | 95 | Very high | 92.9 | Very high | 122 Ų | 122 | 59.9 Ų | 59.9 | 54% | 0.535 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.2 | -54.9 | -176.1 | -72.2 | -82.2 | 0 | 0 | 0 | 113.4 | Y80 C81 V85 I86 C87 | Y80-F83 AromaticContact CD1-CD2 3.88Å; Y80-F83 HydrophobicContact CD1-CD2 3.88Å; Y80-F83 AromaticContact CD1-CE2 3.47Å; Y80-F83 HydrophobicContact CD1-CE2 3.47Å; Y80-F83 VanDerWaalsContact CD1-CE2 3.47Å; Y80-F83 HydrophobicContact CD1-CZ 4.45Å; Y80-F83 HydrophobicContact CE1-CE2 4.23Å; Y80-F83 HydrophobicContact CG-CD2 4.43Å; Y80-F83 HydrophobicContact CG-CE2 4.36Å; Y80-F83 WeakPolarHBondContact O-CD2 3.43Å; Y80-F83 PolarHBondContact O-N 3.4Å; C81-F83 VanDerWaalsContact C-N 3.31Å; C81-F83 PolarHBondContact O-N 2.84Å; F83-V85 VanDerWaalsContact C-N 3.29Å; F83-V85 PolarHBondContact O-N 3.22Å; F83-I86 PolarHBondContact O-N 2.76Å; F83-C87 WeakPolarHBondContact O-CB 3.36Å; F83-C87 PolarHBondContact O-N 2.92Å; F83-C87 PolarHBondContact O-SG 3.47Å |
| 84 | P | 93.8 | Very high | 93.3 | Very high | 3 Ų | 3 | 57.9 Ų | 57.9 | 2% | 0.019 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.1 | -39 | 178.9 | 24.2 | -36.3 | 0 | 0 | 0 | 112.9 | A71 L75 L77 Y80 C81 C87 G88 Y285 | A71-P84 HydrophobicContact CB-CG 3.72Å; L75-P84 HydrophobicContact CD1-CG 4.41Å; L77-P84 HydrophobicContact CD1-CG 3.79Å; Y80-P84 WeakPolarHBondContact O-CD 3.42Å; C81-P84 VanDerWaalsContact O-CD 3.23Å; C81-P84 WeakPolarHBondContact O-CD 3.32Å; C81-P84 WeakPolarHBondContact O-CG 3.14Å; P84-C87 PolarHBondContact O-N 3.34Å; P84-G88 PolarHBondContact O-N 3.06Å; P84-Y285 VanDerWaalsContact CA-CE1 3.44Å; P84-Y285 HydrophobicContact CB-CD1 3.97Å; P84-Y285 HydrophobicContact CB-CD2 3.88Å; P84-Y285 HydrophobicContact CB-CE1 3.56Å; P84-Y285 HydrophobicContact CB-CE2 3.44Å; P84-Y285 VanDerWaalsContact CB-CE2 3.44Å; P84-Y285 HydrophobicContact CB-CG 4.13Å; P84-Y285 VanDerWaalsContact O-CD1 3.26Å; P84-Y285 WeakPolarHBondContact O-CD1 3.48Å |
| 85 | V | 95.8 | Very high | 93.7 | Very high | 4 Ų | 4 | 57.6 Ų | 57.6 | 2% | 0.024 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -68.5 | -45.8 | -179.3 | -177.4 | 0 | 0 | 0 | 0 | 111.1 | L64 A67 L68 A71 V82 F83 G88 L89 P284 | L64-V85 HydrophobicContact CD2-CG1 3.52Å; A67-V85 HydrophobicContact CB-CB 4.5Å; A67-V85 HydrophobicContact CB-CG1 4Å; A67-V85 HydrophobicContact CB-CG2 3.72Å; L68-V85 HydrophobicContact CD2-CB 4.04Å; L68-V85 HydrophobicContact CD2-CG1 4.32Å; L68-V85 HydrophobicContact CD2-CG2 3.85Å; L68-V85 HydrophobicContact CG-CB 4.46Å; L68-V85 HydrophobicContact CG-CG1 4.3Å; L68-V85 HydrophobicContact CG-CG2 4.12Å; A71-V85 HydrophobicContact CB-CG2 4.39Å; V82-V85 PolarHBondContact O-N 3.4Å; F83-V85 VanDerWaalsContact C-N 3.29Å; F83-V85 PolarHBondContact O-N 3.22Å; V85-G88 PolarHBondContact O-N 3.39Å; V85-L89 WeakPolarHBondContact O-CB 3.3Å; V85-L89 PolarHBondContact O-N 3.42Å; V85-P284 HydrophobicContact CG2-CB 4.5Å |
| 86 | I | 97.2 | Very high | 93.8 | Very high | 81 Ų | 81 | 55.3 Ų | 55.3 | 42% | 0.415 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64 | -41.7 | 176 | -71.7 | 171.4 | 0 | 0 | 0 | 111 | V82 F83 L89 F90 | V82-I86 HydrophobicContact CB-CD1 4.06Å; V82-I86 VanDerWaalsContact O-CB 3.28Å; V82-I86 WeakPolarHBondContact O-CB 3.38Å; V82-I86 WeakPolarHBondContact O-CG1 3.34Å; V82-I86 PolarHBondContact O-N 3.44Å; F83-I86 PolarHBondContact O-N 2.76Å; I86-L89 PolarHBondContact O-N 2.84Å; I86-F90 HydrophobicContact CG2-CD2 3.54Å; I86-F90 HydrophobicContact CG2-CE2 3.49Å; I86-F90 VanDerWaalsContact CG2-CE2 3.49Å; I86-F90 VanDerWaalsContact O-CD2 3.31Å; I86-F90 WeakPolarHBondContact O-CD2 3.3Å; I86-F90 PolarHBondContact O-N 2.8Å |
| 87 | C | 96.8 | Very high | 93.8 | Very high | 61 Ų | 61 | 53.2 Ų | 53.2 | 41% | 0.412 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -58.6 | -48.7 | 174.1 | -74 | 0 | 0 | 0 | 0 | 110.9 | F83 P84 L89 F90 I91 Y285 | F83-C87 WeakPolarHBondContact O-CB 3.36Å; F83-C87 PolarHBondContact O-N 2.92Å; F83-C87 PolarHBondContact O-SG 3.47Å; P84-C87 PolarHBondContact O-N 3.34Å; C87-L89 PolarHBondContact O-N 2.65Å; C87-F90 PolarHBondContact O-N 3.19Å; C87-I91 WeakPolarHBondContact O-CB 3.24Å; C87-I91 WeakPolarHBondContact O-CD1 3.45Å; C87-I91 WeakPolarHBondContact O-CG1 3.36Å; C87-I91 PolarHBondContact O-N 2.8Å; C87-Y285 HydrophobicContact CB-CD1 4.25Å; C87-Y285 HydrophobicContact CB-CE1 4.19Å |
| 88 | G | 96.3 | Very high | 93.8 | Very high | 2 Ų | 2 | 55 Ų | 55 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -54.2 | -52.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | P84 V85 F90 I91 G92 Y285 G288 F289 | P84-G88 PolarHBondContact O-N 3.06Å; V85-G88 PolarHBondContact O-N 3.39Å; G88-F90 PolarHBondContact O-N 2.97Å; G88-I91 PolarHBondContact O-N 3.04Å; G88-I91 VanDerWaalsContact O-N 3.12Å; G88-G92 PolarHBondContact O-N 3.28Å; G88-Y285 VanDerWaalsContact CA-O 3.31Å; G88-Y285 WeakPolarHBondContact CA-O 3.08Å; G88-G288 VanDerWaalsContact C-C 3.41Å; G88-F289 VanDerWaalsContact C-N 3.32Å; G88-F289 WeakPolarHBondContact O-CA 3.15Å; G88-F289 PolarHBondContact O-N 3.37Å |
| 89 | L | 97.6 | Very high | 93.5 | Very high | 40 Ų | 40 | 55 Ų | 55 | 21% | 0.209 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -53.1 | -51.5 | -179.8 | -175.2 | 160.2 | 0 | 0 | 0 | 112.2 | L64 V85 I86 C87 I91 G92 A93 G288 G292 L295 | L64-L89 HydrophobicContact CD1-CD1 4.38Å; L64-L89 HydrophobicContact CD2-CD1 4.01Å; V85-L89 WeakPolarHBondContact O-CB 3.3Å; V85-L89 PolarHBondContact O-N 3.42Å; I86-L89 PolarHBondContact O-N 2.84Å; C87-L89 PolarHBondContact O-N 2.65Å; L89-I91 PolarHBondContact O-N 3.23Å; L89-G92 PolarHBondContact O-N 3.44Å; L89-A93 PolarHBondContact O-N 3.18Å; L89-G288 WeakPolarHBondContact CA-O 3.31Å; L89-G288 PolarHBondContact N-O 2.92Å; L89-G292 WeakPolarHBondContact O-CA 3.38Å; L89-L295 HydrophobicContact CD1-CD1 4.37Å |
| 90 | F | 97.6 | Very high | 92.9 | Very high | 141 Ų | 141 | 53.1 Ų | 53.1 | 62% | 0.618 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -67.6 | -35.4 | 179.1 | -78.7 | -64.6 | 0 | 0 | 0 | 113 | I86 C87 G88 G92 A94 | I86-F90 HydrophobicContact CG2-CD2 3.54Å; I86-F90 HydrophobicContact CG2-CE2 3.49Å; I86-F90 VanDerWaalsContact CG2-CE2 3.49Å; I86-F90 VanDerWaalsContact O-CD2 3.31Å; I86-F90 WeakPolarHBondContact O-CD2 3.3Å; I86-F90 PolarHBondContact O-N 2.8Å; C87-F90 PolarHBondContact O-N 3.19Å; G88-F90 PolarHBondContact O-N 2.97Å; F90-G92 VanDerWaalsContact C-N 3.33Å; F90-A94 WeakPolarHBondContact O-CB 3.35Å; F90-A94 PolarHBondContact O-N 3.42Å |
| 91 | I | 96.4 | Very high | 92.3 | Very high | 102 Ų | 102 | 50.3 Ų | 50.3 | 52% | 0.523 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.8 | -39.6 | 175.3 | -66 | 165.2 | 0 | 0 | 0 | 110.4 | C87 G88 L89 A94 F95 F289 | C87-I91 WeakPolarHBondContact O-CB 3.24Å; C87-I91 WeakPolarHBondContact O-CD1 3.45Å; C87-I91 WeakPolarHBondContact O-CG1 3.36Å; C87-I91 PolarHBondContact O-N 2.8Å; G88-I91 PolarHBondContact O-N 3.04Å; G88-I91 VanDerWaalsContact O-N 3.12Å; L89-I91 PolarHBondContact O-N 3.23Å; I91-A94 PolarHBondContact O-N 3.28Å; I91-F95 WeakPolarHBondContact O-CB 3.39Å; I91-F95 PolarHBondContact O-N 2.91Å; I91-F289 HydrophobicContact CB-CD2 4.38Å; I91-F289 HydrophobicContact CG2-CD2 3.89Å; I91-F289 HydrophobicContact CG2-CE2 4.18Å |
| 92 | G | 95.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.1 | -48.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | G88 L89 F90 A94 F95 V96 F289 | G88-G92 PolarHBondContact O-N 3.28Å; L89-G92 PolarHBondContact O-N 3.44Å; F90-G92 VanDerWaalsContact C-N 3.33Å; G92-A94 VanDerWaalsContact C-N 3.34Å; G92-A94 PolarHBondContact O-N 3Å; G92-F95 WeakPolarHBondContact O-CB 2.92Å; G92-F95 PolarHBondContact O-N 3.17Å; G92-V96 PolarHBondContact O-N 2.94Å; G92-F289 WeakPolarHBondContact CA-O 3.31Å |
| 93 | A | 95 | Very high | 90.4 | Very high | 19 Ų | 19 | 57.2 Ų | 57.2 | 16% | 0.157 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.4 | -43.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L89 F95 V96 G97 F296 | L89-A93 PolarHBondContact O-N 3.18Å; A93-F95 VanDerWaalsContact C-N 3.33Å; A93-F95 PolarHBondContact O-N 2.86Å; A93-V96 PolarHBondContact O-N 2.95Å; A93-G97 PolarHBondContact O-N 2.65Å; A93-F296 HydrophobicContact CB-CB 4.08Å; A93-F296 HydrophobicContact CB-CD2 4.11Å; A93-F296 HydrophobicContact CB-CG 4.46Å |
| 94 | A | 94.7 | Very high | 88.8 | Confident | 51 Ų | 51 | 53.2 Ų | 53.2 | 42% | 0.421 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.8 | -36.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F90 I91 G92 G97 L98 | F90-A94 WeakPolarHBondContact O-CB 3.35Å; F90-A94 PolarHBondContact O-N 3.42Å; I91-A94 PolarHBondContact O-N 3.28Å; G92-A94 VanDerWaalsContact C-N 3.34Å; G92-A94 PolarHBondContact O-N 3Å; A94-G97 PolarHBondContact O-N 3.02Å; A94-L98 VanDerWaalsContact O-CB 3.25Å; A94-L98 WeakPolarHBondContact O-CB 3.24Å; A94-L98 WeakPolarHBondContact O-CG 3.47Å; A94-L98 PolarHBondContact O-N 3.1Å |
| 95 | F | 91.9 | Very high | 87 | Confident | 65 Ų | 65 | 54.2 Ų | 54.2 | 29% | 0.285 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -58.4 | -49 | 175.5 | 165.6 | -98.1 | 0 | 0 | 0 | 111.1 | I91 G92 A93 L98 V99 I198 F289 | I91-F95 WeakPolarHBondContact O-CB 3.39Å; I91-F95 PolarHBondContact O-N 2.91Å; G92-F95 WeakPolarHBondContact O-CB 2.92Å; G92-F95 PolarHBondContact O-N 3.17Å; A93-F95 VanDerWaalsContact C-N 3.33Å; A93-F95 PolarHBondContact O-N 2.86Å; F95-L98 PolarHBondContact O-N 2.82Å; F95-V99 HydrophobicContact CD2-CG2 4.45Å; F95-V99 HydrophobicContact CE1-CG2 4.41Å; F95-V99 HydrophobicContact CE2-CG2 4.08Å; F95-V99 HydrophobicContact CZ-CG2 4.05Å; F95-V99 VanDerWaalsContact O-CG2 3.29Å; F95-V99 WeakPolarHBondContact O-CG2 3.29Å; F95-V99 PolarHBondContact O-N 3.44Å; F95-I198 HydrophobicContact CE1-CG2 4.06Å; F95-I198 HydrophobicContact CZ-CG2 4.22Å; F95-F289 HydrophobicContact CB-CE2 3.72Å; F95-F289 HydrophobicContact CB-CZ 3.96Å; F95-F289 HydrophobicContact CD1-CE2 4.36Å; F95-F289 AromaticContact CD1-CZ 3.72Å; F95-F289 HydrophobicContact CD1-CZ 3.72Å; F95-F289 HydrophobicContact CD2-CZ 4.35Å; F95-F289 HydrophobicContact CE1-CZ 4.32Å; F95-F289 HydrophobicContact CG-CE2 4.01Å; F95-F289 AromaticContact CG-CZ 3.74Å; F95-F289 HydrophobicContact CG-CZ 3.74Å |
| 96 | V | 88.5 | Confident | 85.1 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.6 | -50.8 | 178 | -179.4 | 0 | 0 | 0 | 0 | 111 | G92 A93 L98 V99 D100 V195 P199 A293 F296 V297 | G92-V96 PolarHBondContact O-N 2.94Å; A93-V96 PolarHBondContact O-N 2.95Å; V96-L98 PolarHBondContact O-N 3.25Å; V96-L98 VanDerWaalsContact O-N 3.17Å; V96-V99 WeakPolarHBondContact O-CA 3.29Å; V96-V99 WeakPolarHBondContact O-CB 2.92Å; V96-V99 PolarHBondContact O-N 3.06Å; V96-D100 PolarHBondContact O-N 3.1Å; V96-V195 HydrophobicContact CG1-CG1 4.31Å; V96-P199 HydrophobicContact CG2-CG 4.18Å; V96-A293 HydrophobicContact CG2-CB 3.64Å; V96-F296 HydrophobicContact CB-CD1 3.79Å; V96-F296 HydrophobicContact CB-CE1 4.33Å; V96-F296 HydrophobicContact CB-CG 4.32Å; V96-F296 HydrophobicContact CG1-CD1 3.45Å; V96-F296 VanDerWaalsContact CG1-CD1 3.45Å; V96-F296 HydrophobicContact CG1-CE1 3.84Å; V96-F296 HydrophobicContact CG1-CG 4.4Å; V96-V297 HydrophobicContact CG1-CG2 3.66Å; V96-V297 HydrophobicContact CG2-CG2 4.27Å |
| 97 | G | 87.8 | Confident | 83 | Confident | 17 Ų | 17 | 65.7 Ų | 65.7 | 18% | 0.175 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.8 | -30.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | A93 A94 T101 | A93-G97 PolarHBondContact O-N 2.65Å; A94-G97 PolarHBondContact O-N 3.02Å; G97-T101 WeakPolarHBondContact O-CB 3.47Å; G97-T101 PolarHBondContact O-N 2.97Å; G97-T101 VanDerWaalsContact O-N 3.09Å; G97-T101 PolarHBondContact O-OG1 3.33Å |
| 98 | L | 88.7 | Confident | 81 | Confident | 99 Ų | 99 | 65.9 Ų | 65.9 | 52% | 0.518 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -68.7 | -45.5 | 170.8 | -76.3 | 172.2 | 0 | 0 | 0 | 111.4 | A94 F95 V96 D100 T101 F102 | A94-L98 VanDerWaalsContact O-CB 3.25Å; A94-L98 WeakPolarHBondContact O-CB 3.24Å; A94-L98 WeakPolarHBondContact O-CG 3.47Å; A94-L98 PolarHBondContact O-N 3.1Å; F95-L98 PolarHBondContact O-N 2.82Å; V96-L98 PolarHBondContact O-N 3.25Å; V96-L98 VanDerWaalsContact O-N 3.17Å; L98-D100 VanDerWaalsContact C-N 3.28Å; L98-D100 PolarHBondContact O-N 2.9Å; L98-T101 PolarHBondContact O-N 3.45Å; L98-T101 VanDerWaalsContact O-N 3.16Å; L98-F102 HydrophobicContact CB-CD2 4.41Å; L98-F102 HydrophobicContact CB-CE2 4.46Å; L98-F102 HydrophobicContact CD2-CE2 4.21Å; L98-F102 WeakPolarHBondContact O-CD2 3.38Å; L98-F102 PolarHBondContact O-N 2.47Å |
| 99 | V | 83.9 | Confident | 78.9 | Confident | 32 Ų | 32 | 73.4 Ų | 73.4 | 19% | 0.194 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -57.1 | -44.6 | 176.3 | 170.2 | 0 | 0 | 0 | 0 | 110.4 | F95 V96 T101 F102 L103 V195 | F95-V99 HydrophobicContact CD2-CG2 4.45Å; F95-V99 HydrophobicContact CE1-CG2 4.41Å; F95-V99 HydrophobicContact CE2-CG2 4.08Å; F95-V99 HydrophobicContact CZ-CG2 4.05Å; F95-V99 VanDerWaalsContact O-CG2 3.29Å; F95-V99 WeakPolarHBondContact O-CG2 3.29Å; F95-V99 PolarHBondContact O-N 3.44Å; V96-V99 WeakPolarHBondContact O-CA 3.29Å; V96-V99 WeakPolarHBondContact O-CB 2.92Å; V96-V99 PolarHBondContact O-N 3.06Å; V99-T101 VanDerWaalsContact C-N 3.32Å; V99-T101 PolarHBondContact O-N 3.1Å; V99-F102 PolarHBondContact O-N 3.01Å; V99-L103 HydrophobicContact CG1-CD1 3.55Å; V99-L103 HydrophobicContact CG1-CG 4.4Å; V99-L103 WeakPolarHBondContact O-CB 3.4Å; V99-L103 VanDerWaalsContact O-CG 3.26Å; V99-L103 WeakPolarHBondContact O-CG 3.07Å; V99-L103 PolarHBondContact O-N 3.24Å; V99-V195 HydrophobicContact CB-CG1 4.31Å; V99-V195 HydrophobicContact CG1-CB 4.28Å; V99-V195 HydrophobicContact CG1-CG1 3.65Å; V99-V195 HydrophobicContact CG1-CG2 3.54Å |
| 100 | D | 78.1 | Confident | 76.7 | Confident | 48 Ų | 48 | 75.8 Ų | 75.8 | 26% | 0.257 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.9 | -36.2 | 177.8 | -62.5 | -30.9 | 0 | 0 | 0 | 112.5 | V96 L98 L103 | V96-D100 PolarHBondContact O-N 3.1Å; L98-D100 VanDerWaalsContact C-N 3.28Å; L98-D100 PolarHBondContact O-N 2.9Å; D100-L103 PolarHBondContact O-N 3.32Å |
| 101 | T | 80 | Confident | 74.4 | Confident | 100 Ų | 100 | 72.2 Ų | 72.2 | 61% | 0.613 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -68 | -39.2 | 175.4 | -56.7 | 0 | 0 | 0 | 0 | 112 | G97 L98 V99 L103 | G97-T101 WeakPolarHBondContact O-CB 3.47Å; G97-T101 PolarHBondContact O-N 2.97Å; G97-T101 VanDerWaalsContact O-N 3.09Å; G97-T101 PolarHBondContact O-OG1 3.33Å; L98-T101 PolarHBondContact O-N 3.45Å; L98-T101 VanDerWaalsContact O-N 3.16Å; V99-T101 VanDerWaalsContact C-N 3.32Å; V99-T101 PolarHBondContact O-N 3.1Å; T101-L103 VanDerWaalsContact C-N 3.32Å |
| 102 | F | 79.1 | Confident | 71.8 | Confident | 156 Ų | 156 | 71.8 Ų | 71.8 | 68% | 0.684 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -80.8 | -8.9 | -179.8 | -77 | -64.5 | 0 | 0 | 0 | 114.3 | L98 V99 P104 | L98-F102 HydrophobicContact CB-CD2 4.41Å; L98-F102 HydrophobicContact CB-CE2 4.46Å; L98-F102 HydrophobicContact CD2-CE2 4.21Å; L98-F102 WeakPolarHBondContact O-CD2 3.38Å; L98-F102 PolarHBondContact O-N 2.47Å; V99-F102 PolarHBondContact O-N 3.01Å; F102-P104 WeakPolarHBondContact O-CD 3.37Å |
| 103 | L | 69.8 | Low | 69.7 | Low | 59 Ų | 59 | 74 Ų | 74 | 31% | 0.309 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -102.2 | 57.6 | 171.4 | -66.1 | 168.3 | 0 | 0 | 0 | 110.8 | V99 D100 T101 A105 I191 V195 | V99-L103 HydrophobicContact CG1-CD1 3.55Å; V99-L103 HydrophobicContact CG1-CG 4.4Å; V99-L103 WeakPolarHBondContact O-CB 3.4Å; V99-L103 VanDerWaalsContact O-CG 3.26Å; V99-L103 WeakPolarHBondContact O-CG 3.07Å; V99-L103 PolarHBondContact O-N 3.24Å; D100-L103 PolarHBondContact O-N 3.32Å; T101-L103 VanDerWaalsContact C-N 3.32Å; L103-A105 PolarHBondContact O-N 3.08Å; L103-I191 HydrophobicContact CB-CG2 4.48Å; L103-I191 HydrophobicContact CD1-CG2 3.67Å; L103-V195 HydrophobicContact CD1-CG2 3.7Å |
| 104 | P | 59.8 | Low | 67.1 | Low | 37 Ų | 37 | 77.7 Ų | 77.7 | 24% | 0.24 | 43% | 0.425 | C | S | . | . | trans | -70.1 | 137.4 | -169.5 | 25.1 | -24.9 | 0 | 0 | 0 | 109.4 | F102 Q106 W107 | F102-P104 WeakPolarHBondContact O-CD 3.37Å; P104-Q106 HydrophobicContact CB-CG 4.12Å; P104-Q106 HydrophobicContact CG-CG 4.25Å; P104-Q106 PolarHBondContact O-N 3.41Å; P104-W107 VanDerWaalsContact CD-CD1 3.48Å; P104-W107 HydrophobicContact CG-CG 4.5Å; P104-W107 VanDerWaalsContact O-CD1 3.23Å; P104-W107 PolarHBondContact O-N 3.22Å | ||
| 105 | A | 57.1 | Low | 64.5 | Low | 24 Ų | 24 | 79 Ų | 79 | 20% | 0.198 | 43% | 0.425 | C | S | . | . | G | 310 helix | trans | -51.8 | -20.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115 | L103 W107 L188 | L103-A105 PolarHBondContact O-N 3.08Å; A105-W107 VanDerWaalsContact C-N 3.34Å; A105-L188 HydrophobicContact CB-CD1 4.22Å; A105-L188 HydrophobicContact CB-CD2 3.84Å |
| 106 | Q | 55.4 | Low | 61.5 | Low | 141 Ų | 141 | 82.7 Ų | 82.7 | 66% | 0.659 | 45% | 0.447 | S | S | * | . | G | 310 helix | trans | -69.1 | -21 | 177.3 | 65.4 | -172 | -2.7 | 0 | 0 | 114.8 | P104 F108 | P104-Q106 HydrophobicContact CB-CG 4.12Å; P104-Q106 HydrophobicContact CG-CG 4.25Å; P104-Q106 PolarHBondContact O-N 3.41Å; Q106-F108 PolarHBondContact O-N 3.44Å; Q106-F108 VanDerWaalsContact O-N 3.12Å |
| 107 | W | 53.7 | Low | 59.1 | Low | 186 Ų | 186 | 88.6 Ų | 88.6 | 71% | 0.705 | 48% | 0.479 | S | S | * | . | G | 310 helix | trans | -68.5 | -11.3 | -179.8 | -71.7 | 58.5 | 0 | 0 | 0 | 112.7 | P104 A105 | P104-W107 VanDerWaalsContact CD-CD1 3.48Å; P104-W107 HydrophobicContact CG-CG 4.5Å; P104-W107 VanDerWaalsContact O-CD1 3.23Å; P104-W107 PolarHBondContact O-N 3.22Å; A105-W107 VanDerWaalsContact C-N 3.34Å |
| 108 | F | 54.8 | Low | 56.7 | Low | 64 Ų | 64 | 92.7 Ų | 92.7 | 28% | 0.281 | 51% | 0.505 | S | S | . | . | G | 310 helix | trans | -128.8 | 32.6 | -167.7 | -54.6 | -69 | 0 | 0 | 0 | 112.9 | Q106 T110 I191 | Q106-F108 PolarHBondContact O-N 3.44Å; Q106-F108 VanDerWaalsContact O-N 3.12Å; F108-T110 VanDerWaalsContact C-N 3.33Å; F108-T110 PolarHBondContact O-N 2.91Å; F108-I191 HydrophobicContact CD2-CD1 3.76Å; F108-I191 HydrophobicContact CE2-CD1 3.59Å; F108-I191 HydrophobicContact CG-CD1 4.41Å; F108-I191 HydrophobicContact CZ-CD1 4.12Å |
| 109 | E | 51.1 | Low | 54.2 | Low | 161 Ų | 161 | 92.5 Ų | 92.5 | 75% | 0.752 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -63.1 | 92.3 | 167.3 | -71.5 | -164.8 | 167.5 | 0 | 0 | 110.6 | ||
| 110 | T | 51.2 | Low | 51.9 | Low | 90 Ų | 90 | 101.1 Ų | 101.1 | 55% | 0.552 | 54% | 0.543 | S | S | * | . | trans | 56.8 | 90.7 | 172.1 | 64.4 | 0 | 0 | 0 | 0 | 115 | F108 P112 V181 | F108-T110 VanDerWaalsContact C-N 3.33Å; F108-T110 PolarHBondContact O-N 2.91Å; T110-P112 WeakPolarHBondContact O-CD 3.33Å; T110-V181 HydrophobicContact CG2-CG1 3.59Å | ||
| 111 | V | 48.9 | Very low | 49.6 | Very low | 66 Ų | 66 | 109 Ų | 109 | 40% | 0.4 | 57% | 0.57 | S | S | . | * | trans | -80.6 | 109.5 | 160 | -174.4 | 0 | 0 | 0 | 0 | 107.7 | V113 W187 | V111-V113 PolarHBondContact O-N 3.35Å; V111-V113 VanDerWaalsContact O-N 3.08Å; V111-W187 HydrophobicContact CB-CZ2 4.42Å; V111-W187 HydrophobicContact CG2-CZ2 4.45Å | ||
| 112 | P | 42.8 | Very low | 47.2 | Very low | 92 Ų | 92 | 109.2 Ų | 109.2 | 60% | 0.597 | 58% | 0.576 | S | S | * | * | B | Isolated β-bridge | trans | -69 | 106.2 | 168.8 | 28 | -31.9 | 0 | 0 | 0 | 108.1 | T110 A114 | T110-P112 WeakPolarHBondContact O-CD 3.33Å; P112-A114 PolarHBondContact O-N 3.01Å |
| 113 | V | 50.8 | Low | 45.1 | Very low | 46 Ų | 46 | 107.8 Ų | 107.8 | 28% | 0.279 | 58% | 0.58 | S | S | . | * | trans | -72.3 | 101.4 | 169.4 | 179.6 | 0 | 0 | 0 | 0 | 107.3 | V111 L115 I182 | V111-V113 PolarHBondContact O-N 3.35Å; V111-V113 VanDerWaalsContact O-N 3.08Å; V113-L115 HydrophobicContact CG1-CD2 3.89Å; V113-L115 HydrophobicContact CG1-CG 4.08Å; V113-L115 PolarHBondContact O-N 3.43Å; V113-L115 VanDerWaalsContact O-N 3.15Å; V113-I182 HydrophobicContact CG2-CD1 4.39Å | ||
| 114 | A | 40.1 | Very low | 43.5 | Very low | 98 Ų | 98 | 109.7 Ų | 109.7 | 81% | 0.81 | 60% | 0.598 | S | S | * | * | trans | -75.6 | 95.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | P112 N116 | P112-A114 PolarHBondContact O-N 3.01Å; A114-N116 PolarHBondContact O-N 2.81Å | ||
| 115 | L | 41 | Very low | 42 | Very low | 78 Ų | 78 | 116 Ų | 116 | 41% | 0.408 | 63% | 0.629 | S | S | . | * | trans | -80.4 | 110.7 | 165.3 | -60.7 | 172.1 | 0 | 0 | 0 | 108.3 | V113 D117 M180 I253 | V113-L115 HydrophobicContact CG1-CD2 3.89Å; V113-L115 HydrophobicContact CG1-CG 4.08Å; V113-L115 PolarHBondContact O-N 3.43Å; V113-L115 VanDerWaalsContact O-N 3.15Å; L115-D117 VanDerWaalsContact C-N 3.33Å; L115-D117 PolarHBondContact O-N 3.43Å; L115-D117 VanDerWaalsContact O-N 3.15Å; L115-M180 HydrophobicContact CD1-CE 3.87Å; L115-I253 HydrophobicContact CD1-CD1 3.2Å; L115-I253 HydrophobicContact CD2-CD1 3.55Å; L115-I253 HydrophobicContact CD2-CG1 4.38Å; L115-I253 HydrophobicContact CG-CD1 3.93Å | ||
| 116 | N | 28.5 | Very low | 40.9 | Very low | 142 Ų | 142 | 119.7 Ų | 119.7 | 76% | 0.759 | 65% | 0.652 | S | S | * | * | trans | -80.4 | 80.6 | 169.5 | -174.2 | 36.5 | 0 | 0 | 0 | 109.1 | A114 | A114-N116 PolarHBondContact O-N 2.81Š| ||
| 117 | D | 39 | Very low | 40.1 | Very low | 124 Ų | 124 | 117.9 Ų | 117.9 | 66% | 0.663 | 65% | 0.654 | S | S | * | * | trans | -96.7 | 90.9 | 171.2 | -93.7 | -33.7 | 0 | 0 | 0 | 110.5 | L115 S119 | L115-D117 VanDerWaalsContact C-N 3.33Å; L115-D117 PolarHBondContact O-N 3.43Å; L115-D117 VanDerWaalsContact O-N 3.15Å; D117-S119 PolarHBondContact O-N 3.4Å | ||
| 118 | S | 35.8 | Very low | 39.2 | Very low | 104 Ų | 104 | 114.9 Ų | 114.9 | 73% | 0.727 | 66% | 0.662 | S | S | * | * | trans | -83.8 | 18.9 | 168.7 | -62.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 119 | S | 36.9 | Very low | 38.2 | Very low | 95 Ų | 95 | 115.6 Ų | 115.6 | 66% | 0.664 | 69% | 0.687 | S | S | * | * | trans | -120.9 | 8.9 | -160.6 | -48.6 | 0 | 0 | 0 | 0 | 116.3 | D117 | D117-S119 PolarHBondContact O-N 3.4Š| ||
| 120 | Y | 35.8 | Very low | 37.3 | Very low | 213 Ų | 213 | 116.1 Ų | 116.1 | 84% | 0.835 | 69% | 0.694 | S | S | * | * | trans | -126.1 | 15.7 | -174.6 | -112.2 | -87.6 | 0 | 0 | 0 | 117.6 | ||||
| 121 | Y | 29.5 | Very low | 36.5 | Very low | 212 Ų | 212 | 118.3 Ų | 118.3 | 83% | 0.831 | 71% | 0.707 | S | S | * | * | trans | -116 | 89.2 | 174 | -79.7 | -78.5 | 0 | 0 | 0 | 113.1 | ||||
| 122 | S | 30.7 | Very low | 35.8 | Very low | 106 Ų | 106 | 119.7 Ų | 119.7 | 74% | 0.741 | 72% | 0.719 | S | S | * | * | trans | -153.1 | 117 | 153.1 | 60.3 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 123 | V | 34.9 | Very low | 35.2 | Very low | 126 Ų | 126 | 122.2 Ų | 122.2 | 76% | 0.764 | 73% | 0.727 | S | S | * | * | -173.3 | 127.3 | 75.4 | 158.8 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 124 | S | 35.4 | Very low | 34.3 | Very low | 99 Ų | 99 | 127.9 Ų | 127.9 | 69% | 0.692 | 75% | 0.753 | S | S | * | * | trans | 30.6 | 126.8 | 150.2 | 69.3 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 125 | N | 28.7 | Very low | 34 | Very low | 168 Ų | 168 | 128 Ų | 128 | 90% | 0.898 | 75% | 0.748 | S | S | * | * | trans | -125.7 | 124.5 | 148.2 | -135.2 | 7.7 | 0 | 0 | 0 | 107.5 | ||||
| 126 | P | 34.7 | Very low | 33.7 | Very low | 102 Ų | 102 | 131.1 Ų | 131.1 | 66% | 0.662 | 77% | 0.77 | S | S | * | * | trans | -121.2 | 149.8 | 161.2 | 32.2 | -18 | 0 | 0 | 0 | 113.1 | ||||
| 127 | S | 38.8 | Very low | 34.1 | Very low | 103 Ų | 103 | 133.6 Ų | 133.6 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | trans | 76.5 | 96.3 | 153 | 37.4 | 0 | 0 | 0 | 0 | 120 | ||||
| 128 | S | 33.8 | Very low | 33.6 | Very low | 123 Ų | 123 | 137 Ų | 137 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | 36.2 | 109.7 | 117.3 | 60.5 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 129 | G | 33.2 | Very low | 33.4 | Very low | 79 Ų | 79 | 143.7 Ų | 143.7 | 81% | 0.814 | 80% | 0.795 | S | S | * | * | trans | -155.3 | 110.9 | 162.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 130 | I | 33.4 | Very low | 33.2 | Very low | 173 Ų | 173 | 148.8 Ų | 148.8 | 89% | 0.887 | 81% | 0.805 | S | S | * | * | trans | -64.9 | 121.3 | 175.6 | -65.4 | 161.2 | 0 | 0 | 0 | 109.3 | ||||
| 131 | V | 34.2 | Very low | 33.1 | Very low | 136 Ų | 136 | 149.3 Ų | 149.3 | 82% | 0.824 | 81% | 0.807 | S | S | * | * | trans | -149.7 | 132.3 | 149.1 | -175.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 132 | S | 33.9 | Very low | 33.4 | Very low | 94 Ų | 94 | 144.2 Ų | 144.2 | 66% | 0.657 | 80% | 0.8 | S | S | * | * | trans | -59.9 | 158.9 | 175.4 | 36.7 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 133 | D | 29.4 | Very low | 33.5 | Very low | 145 Ų | 145 | 147 Ų | 147 | 78% | 0.775 | 81% | 0.805 | S | S | * | * | trans | 60.8 | 109.7 | 153.5 | -81.6 | -26 | 0 | 0 | 0 | 119.4 | ||||
| 134 | M | 33.7 | Very low | 33.5 | Very low | 166 Ų | 166 | 147.8 Ų | 147.8 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | 173.8 | 117 | 107.6 | -103.5 | 176.1 | -87.4 | 0 | 0 | 111.4 | |||||
| 135 | S | 33.1 | Very low | 33.6 | Very low | 101 Ų | 101 | 150.7 Ų | 150.7 | 71% | 0.706 | 81% | 0.813 | S | S | * | * | trans | 21 | 108 | 133.4 | 56.8 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 136 | V | 35.2 | Very low | 33.8 | Very low | 143 Ų | 143 | 148.3 Ų | 148.3 | 87% | 0.867 | 81% | 0.808 | S | S | * | * | trans | -151.1 | 118.4 | 137.8 | 179.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 137 | K | 35.6 | Very low | 33.7 | Very low | 193 Ų | 193 | 152 Ų | 152 | 84% | 0.839 | 82% | 0.819 | S | S | * | * | trans | -14.2 | 129.6 | 160.1 | -68.1 | 169.8 | 175.5 | 175.5 | 0 | 118.9 | ||||
| 138 | Q | 29.5 | Very low | 33.5 | Very low | 197 Ų | 197 | 156.6 Ų | 156.6 | 92% | 0.921 | 83% | 0.829 | S | S | * | * | trans | -57.4 | 132.2 | 152.7 | -74.8 | 173.3 | -25 | 0 | 0 | 111.4 | ||||
| 139 | R | 30.4 | Very low | 33.7 | Very low | 243 Ų | 243 | 155.3 Ų | 155.3 | 92% | 0.917 | 82% | 0.82 | S | S | * | * | trans | -114.4 | 113.2 | 158.3 | -93.1 | -175.6 | 178.4 | 174.9 | 0.2 | 108.8 | ||||
| 140 | K | 33.6 | Very low | 33.8 | Very low | 202 Ų | 202 | 157.9 Ų | 157.9 | 88% | 0.878 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 123.8 | 165.6 | -145.6 | 175.7 | -173.1 | 179.8 | 0 | 106.2 | ||
| 141 | Y | 33.8 | Very low | 34 | Very low | 225 Ų | 225 | 155.8 Ų | 155.8 | 88% | 0.882 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 131.9 | 179.3 | -70.2 | -93.1 | 0 | 0 | 0 | 110.8 | ||
| 142 | P | 36.1 | Very low | 34.1 | Very low | 105 Ų | 105 | 159.2 Ų | 159.2 | 68% | 0.682 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -98.6 | 140 | 165.7 | 31.1 | -20 | 0 | 0 | 0 | 111.3 | N144 | P142-N144 PolarHBondContact O-N 3.23Š|
| 143 | I | 33.2 | Very low | 34.3 | Very low | 164 Ų | 164 | 162.5 Ų | 162.5 | 84% | 0.841 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 117.3 | 166.1 | -65.1 | 165.7 | 0 | 0 | 0 | 107.2 | ||
| 144 | N | 33.5 | Very low | 34.4 | Very low | 143 Ų | 143 | 165.9 Ų | 165.9 | 77% | 0.765 | 81% | 0.809 | S | S | * | * | trans | -114.1 | 105 | 169.9 | -86.1 | 0.6 | 0 | 0 | 0 | 110.1 | P142 | P142-N144 PolarHBondContact O-N 3.23Š| ||
| 145 | N | 37.3 | Very low | 34.3 | Very low | 159 Ų | 159 | 162.4 Ų | 162.4 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | trans | -68.2 | 128.5 | 147.5 | -85.8 | -18.5 | 0 | 0 | 0 | 108 | ||||
| 146 | C | 32.5 | Very low | 34.6 | Very low | 118 Ų | 118 | 165.8 Ų | 165.8 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | trans | -94.5 | 107 | 178.8 | -179.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 147 | M | 34.3 | Very low | 34.4 | Very low | 181 Ų | 181 | 166.3 Ų | 166.3 | 89% | 0.892 | 80% | 0.803 | S | S | * | * | 174.5 | 105.3 | 129.3 | -133.5 | 106.2 | 169.9 | 0 | 0 | 107.8 | |||||
| 148 | E | 34.3 | Very low | 34.4 | Very low | 199 Ų | 199 | 163.8 Ų | 163.8 | 93% | 0.93 | 80% | 0.804 | S | S | * | * | trans | -135.2 | 121.7 | 164.5 | -156.4 | 170.2 | -162.5 | 0 | 0 | 108.1 | ||||
| 149 | S | 37.4 | Very low | 34.5 | Very low | 96 Ų | 96 | 160.6 Ų | 160.6 | 67% | 0.671 | 80% | 0.798 | S | S | * | * | trans | -112.6 | 134.5 | 169.3 | 58.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 150 | N | 35.6 | Very low | 34.7 | Very low | 132 Ų | 132 | 158.3 Ų | 158.3 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | trans | 97.2 | 102.1 | 153.5 | -58.6 | -37.3 | 0 | 0 | 0 | 120.2 | ||||
| 151 | I | 37.9 | Very low | 34.8 | Very low | 129 Ų | 129 | 152.3 Ų | 152.3 | 66% | 0.662 | 79% | 0.785 | S | S | * | * | 71.5 | 106.2 | 114.4 | -64.6 | 165.3 | 0 | 0 | 0 | 116.5 | |||||
| 152 | R | 35.1 | Very low | 34.6 | Very low | 208 Ų | 208 | 152.6 Ų | 152.6 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | 144.1 | 136.7 | 115.1 | -101.2 | 157.8 | -161.9 | -172.3 | 3.4 | 115.4 | |||||
| 153 | H | 38.2 | Very low | 34.7 | Very low | 164 Ų | 164 | 153.2 Ų | 153.2 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | trans | 64.3 | 148.2 | 147.7 | -68.3 | -56.3 | 0 | 0 | 0 | 118.2 | ||||
| 154 | R | 31.7 | Very low | 34.6 | Very low | 216 Ų | 216 | 150.3 Ų | 150.3 | 82% | 0.815 | 79% | 0.785 | S | S | * | * | cis | -173.8 | 143.3 | -9.4 | 169 | 174 | 178 | 169.9 | -1 | 104.6 | ||||
| 155 | S | 33.1 | Very low | 34.5 | Very low | 93 Ų | 93 | 149 Ų | 149 | 65% | 0.65 | 79% | 0.787 | S | S | * | * | trans | -36.3 | 140.9 | 170.1 | 178.4 | 0 | 0 | 0 | 0 | 116 | ||||
| 156 | E | 38 | Very low | 34.3 | Very low | 171 Ų | 171 | 146.8 Ų | 146.8 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | 176.3 | 142.8 | 111.9 | -94.4 | 166.9 | -165.9 | 0 | 0 | 114.2 | |||||
| 157 | N | 30.7 | Very low | 34.3 | Very low | 154 Ų | 154 | 147 Ų | 147 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | trans | -66.8 | 149.2 | -179.5 | -68.3 | -43.4 | 0 | 0 | 0 | 113.6 | ||||
| 158 | T | 36.4 | Very low | 34.4 | Very low | 140 Ų | 140 | 145.6 Ų | 145.6 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | trans | -157.6 | 127.2 | 135.1 | -49.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 159 | V | 32.4 | Very low | 34.6 | Very low | 131 Ų | 131 | 144.5 Ų | 144.5 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | trans | -90.2 | 133.5 | 174.9 | 171 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 160 | Q | 34.6 | Very low | 34.8 | Very low | 195 Ų | 195 | 146.4 Ų | 146.4 | 91% | 0.911 | 78% | 0.784 | S | S | * | * | trans | -133.3 | 126.8 | 158.2 | -91.2 | -177.3 | -24.8 | 0 | 0 | 109.2 | ||||
| 161 | A | 33.9 | Very low | 35 | Very low | 75 Ų | 75 | 147 Ų | 147 | 62% | 0.62 | 79% | 0.786 | S | S | * | * | trans | -110.9 | 143.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 162 | Y | 31 | Very low | 35.1 | Very low | 232 Ų | 232 | 150.8 Ų | 150.8 | 91% | 0.91 | 80% | 0.798 | S | S | * | * | trans | 176.6 | 158.8 | 150.4 | -82.2 | -57.1 | 0 | 0 | 0 | 108.4 | ||||
| 163 | P | 37.6 | Very low | 35.4 | Very low | 117 Ų | 117 | 149.9 Ų | 149.9 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | -128.4 | -177.4 | -73.2 | 28.7 | -5.5 | 0 | 0 | 0 | 113.3 | |||||
| 164 | S | 30.3 | Very low | 35.5 | Very low | 104 Ų | 104 | 150.8 Ų | 150.8 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | -41.7 | 151.3 | -175.4 | 47.3 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 165 | S | 31.6 | Very low | 35.6 | Very low | 116 Ų | 116 | 148.4 Ų | 148.4 | 81% | 0.811 | 81% | 0.808 | S | S | * | * | trans | 76.2 | 98.4 | 139.3 | 64.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 166 | S | 34.6 | Very low | 35.9 | Very low | 111 Ų | 111 | 151.3 Ų | 151.3 | 78% | 0.776 | 81% | 0.811 | S | S | * | * | trans | -133.9 | 127.3 | 137.8 | 53.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 167 | S | 32.3 | Very low | 36.1 | Very low | 124 Ų | 124 | 150.3 Ų | 150.3 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 125.5 | 178.4 | 42.8 | 0 | 0 | 0 | 0 | 111.4 | ||
| 168 | I | 36 | Very low | 36.9 | Very low | 151 Ų | 151 | 148.5 Ų | 148.5 | 77% | 0.774 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -103.3 | 118.7 | 170.2 | -63.6 | 175.1 | 0 | 0 | 0 | 107.9 | V170 | I168-V170 PolarHBondContact O-N 2.92Š|
| 169 | E | 38.4 | Very low | 37.7 | Very low | 176 Ų | 176 | 149.6 Ų | 149.6 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 126.1 | 167.4 | -69.5 | 178.1 | 137.3 | 0 | 0 | 109.6 | D171 | E169-D171 PolarHBondContact O-N 2.98Š|
| 170 | V | 40.9 | Very low | 38.9 | Very low | 136 Ų | 136 | 146.8 Ų | 146.8 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | trans | -89.3 | 101.8 | 173.7 | 178.7 | 0 | 0 | 0 | 0 | 107.7 | I168 K172 | I168-V170 PolarHBondContact O-N 2.92Å; V170-K172 PolarHBondContact O-N 2.9Å | ||
| 171 | D | 41 | Very low | 40.3 | Very low | 143 Ų | 143 | 140.3 Ų | 140.3 | 77% | 0.765 | 75% | 0.747 | S | S | * | * | trans | -57.7 | 126.8 | 171.4 | -80 | -41.8 | 0 | 0 | 0 | 110.9 | E169 E173 | E169-D171 PolarHBondContact O-N 2.98Å; D171-E173 VanDerWaalsContact C-N 3.26Å; D171-E173 PolarHBondContact O-N 2.86Å | ||
| 172 | K | 38.7 | Very low | 42.1 | Very low | 209 Ų | 209 | 136.8 Ų | 136.8 | 91% | 0.909 | 72% | 0.718 | S | S | * | * | trans | -71.8 | 79.6 | 170.4 | -73.7 | 177.7 | 176.3 | 173.9 | 0 | 109.3 | V170 K174 | V170-K172 PolarHBondContact O-N 2.9Å; K172-K174 PolarHBondContact O-N 2.77Å | ||
| 173 | E | 43.1 | Very low | 44.1 | Very low | 189 Ų | 189 | 129.7 Ų | 129.7 | 88% | 0.883 | 70% | 0.699 | S | S | * | * | trans | -80.5 | 114.9 | 169.8 | -144.5 | 179.8 | -178.4 | 0 | 0 | 110.2 | D171 | D171-E173 VanDerWaalsContact C-N 3.26Å; D171-E173 PolarHBondContact O-N 2.86Å | ||
| 174 | K | 39 | Very low | 45.8 | Very low | 184 Ų | 184 | 132.1 Ų | 132.1 | 80% | 0.8 | 69% | 0.693 | S | S | * | * | trans | -36.6 | 132.3 | -177.4 | -67.3 | 163.6 | 177.9 | 173.8 | 0 | 114.5 | K172 Q176 | K172-K174 PolarHBondContact O-N 2.77Å; K174-Q176 PolarHBondContact O-N 3.22Å | ||
| 175 | N | 34.6 | Very low | 47.6 | Very low | 166 Ų | 166 | 133.9 Ų | 133.9 | 89% | 0.888 | 68% | 0.683 | S | S | * | * | trans | -57 | 83.8 | 155.5 | -84.2 | -23.9 | 0 | 0 | 0 | 109.9 | ||||
| 176 | Q | 39.8 | Very low | 49.8 | Very low | 153 Ų | 153 | 128.9 Ų | 128.9 | 72% | 0.715 | 65% | 0.647 | S | S | * | * | trans | -89.4 | 104.8 | 169.3 | -135.9 | 171.5 | 6.7 | 0 | 0 | 106.4 | K174 | K174-Q176 PolarHBondContact O-N 3.22Š| ||
| 177 | F | 42.1 | Very low | 51.9 | Low | 151 Ų | 151 | 125.2 Ų | 125.2 | 66% | 0.662 | 62% | 0.616 | S | S | * | * | trans | -49.7 | 136.7 | 168.6 | -77.5 | -89 | 0 | 0 | 0 | 108.7 | K179 | F177-K179 PolarHBondContact O-N 3.3Š| ||
| 178 | P | 47.7 | Very low | 53.9 | Low | 116 Ų | 116 | 122.4 Ų | 122.4 | 75% | 0.753 | 59% | 0.592 | S | S | * | * | trans | -57.3 | 115.3 | 178.3 | 23.7 | -31.8 | 0 | 0 | 0 | 107.7 | M180 | P178-M180 PolarHBondContact O-N 3.27Š| ||
| 179 | K | 51.4 | Low | 55.8 | Low | 162 Ų | 162 | 116.4 Ų | 116.4 | 70% | 0.704 | 56% | 0.561 | S | S | * | * | trans | -56.9 | 114.6 | 173.9 | -74.7 | -177.2 | 177.6 | 179.8 | 0 | 106.8 | F177 V181 | F177-K179 PolarHBondContact O-N 3.3Å; K179-V181 HydrophobicContact CB-CG2 4.16Å; K179-V181 PolarHBondContact O-N 3Å | ||
| 180 | M | 57.9 | Low | 58 | Low | 73 Ų | 73 | 108.4 Ų | 108.4 | 36% | 0.36 | 52% | 0.524 | S | S | . | . | trans | -68.2 | 106 | 170.1 | -61 | -172.1 | -55.2 | 0 | 0 | 106.6 | L115 P178 G248 Y249 | L115-M180 HydrophobicContact CD1-CE 3.87Å; P178-M180 PolarHBondContact O-N 3.27Å; M180-G248 VanDerWaalsContact SD-O 3.32Å; M180-Y249 HydrophobicContact CB-CE1 3.91Å; M180-Y249 HydrophobicContact CE-CD1 4.21Å; M180-Y249 HydrophobicContact CE-CE1 4.38Å; M180-Y249 PolarHBondContact O-OH 3.46Å | ||
| 181 | V | 64 | Low | 60.1 | Low | 58 Ų | 58 | 103.4 Ų | 103.4 | 35% | 0.352 | 49% | 0.492 | S | S | . | . | B | Isolated β-bridge | trans | -107.8 | 124.4 | 176.9 | 178.6 | 0 | 0 | 0 | 0 | 107.1 | T110 K179 T183 Y249 | T110-V181 HydrophobicContact CG2-CG1 3.59Å; K179-V181 HydrophobicContact CB-CG2 4.16Å; K179-V181 PolarHBondContact O-N 3Å; V181-T183 PolarHBondContact O-N 3.06Å; V181-T183 VanDerWaalsContact O-N 3.14Å; V181-Y249 WeakPolarHBondContact CA-OH 3.32Å; V181-Y249 PolarHBondContact N-OH 2.8Å; V181-Y249 PolarHBondContact O-OH 2.83Å |
| 182 | I | 72.2 | Confident | 62 | Low | 2 Ų | 2 | 97.6 Ų | 97.6 | 1% | 0.01 | 46% | 0.464 | C | S | . | . | trans | -68.1 | 118.5 | 175.2 | -64.4 | 176.1 | 0 | 0 | 0 | 104.5 | V113 L186 W187 L244 Y249 Y257 | V113-I182 HydrophobicContact CG2-CD1 4.39Å; I182-L186 HydrophobicContact CG2-CB 3.83Å; I182-L186 HydrophobicContact CG2-CD2 4.09Å; I182-L186 HydrophobicContact CG2-CG 3.88Å; I182-W187 HydrophobicContact CB-CG 4.25Å; I182-W187 VanDerWaalsContact CB-NE1 3.29Å; I182-W187 HydrophobicContact CD1-CH2 4.36Å; I182-W187 HydrophobicContact CD1-CZ2 3.63Å; I182-W187 HydrophobicContact CG2-CB 4.22Å; I182-W187 HydrophobicContact CG2-CD2 3.87Å; I182-W187 HydrophobicContact CG2-CG 3.5Å; I182-W187 VanDerWaalsContact CG2-CG 3.5Å; I182-L244 HydrophobicContact CD1-CD2 4.11Å; I182-L244 HydrophobicContact CG1-CD2 4.17Å; I182-Y249 WeakPolarHBondContact CA-OH 3.13Å; I182-Y249 HydrophobicContact CD1-CE1 4.5Å; I182-Y249 HydrophobicContact CG1-CE1 3.89Å; I182-Y249 HydrophobicContact CG1-CE2 3.92Å; I182-Y249 WeakPolarHBondContact CG1-OH 3.42Å; I182-Y249 PolarHBondContact N-OH 3.48Å; I182-Y257 HydrophobicContact CD1-CE2 4.35Å | ||
| 183 | T | 73.3 | Confident | 64.3 | Low | 83 Ų | 83 | 87.9 Ų | 87.9 | 51% | 0.509 | 42% | 0.422 | S | S | . | . | trans | -63.1 | 151.1 | -177.3 | 64.7 | 0 | 0 | 0 | 0 | 109.7 | V181 R185 L186 W187 | V181-T183 PolarHBondContact O-N 3.06Å; V181-T183 VanDerWaalsContact O-N 3.14Å; T183-R185 PolarHBondContact O-N 2.8Å; T183-R185 VanDerWaalsContact O-N 3.13Å; T183-L186 PolarHBondContact O-N 2.83Å; T183-L186 WeakPolarHBondContact OG1-CB 3.49Å; T183-L186 PolarHBondContact OG1-N 3.24Å; T183-W187 PolarHBondContact O-N 2.96Å | ||
| 184 | R | 72.2 | Confident | 66.6 | Low | 168 Ų | 168 | 80.7 Ų | 80.7 | 63% | 0.634 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -49 | -41.8 | 174.7 | 178.6 | 179.9 | 166.9 | -164 | -3.5 | 111.6 | L186 W187 L188 | R184-L186 PolarHBondContact O-N 2.97Å; R184-W187 PolarHBondContact O-N 2.82Å; R184-L188 HydrophobicContact CG-CD1 4.03Å; R184-L188 HydrophobicContact CG-CG 4.46Å; R184-L188 WeakPolarHBondContact O-CB 3.34Å; R184-L188 VanDerWaalsContact O-CG 3.27Å; R184-L188 WeakPolarHBondContact O-CG 3.34Å; R184-L188 PolarHBondContact O-N 3.35Å |
| 185 | R | 69.4 | Low | 68.9 | Low | 141 Ų | 141 | 72.3 Ų | 72.3 | 53% | 0.532 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.1 | -45 | 177.2 | -177 | 178.5 | 176.6 | 178 | 1.9 | 112.2 | T183 L188 L189 E305 S308 | T183-R185 PolarHBondContact O-N 2.8Å; T183-R185 VanDerWaalsContact O-N 3.13Å; R185-L188 PolarHBondContact O-N 2.91Å; R185-L189 PolarHBondContact O-N 3.26Å; R185-E305 IonicContact CZ-OE1 3.88Å; R185-E305 IonicContact NH2-OE1 2.89Å; R185-E305 PolarHBondContact NH2-OE1 3.3Å; R185-E305 IonicContact NH2-OE2 3.58Å; R185-S308 PolarHBondContact NH2-OG 3.09Å |
| 186 | L | 76.4 | Confident | 71.4 | Confident | 10 Ų | 10 | 64.5 Ų | 64.5 | 5% | 0.052 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -70 | -38.5 | -177.9 | -174.6 | 51.5 | 0 | 0 | 0 | 112.2 | I182 T183 R184 L189 I190 P243 L244 | I182-L186 HydrophobicContact CG2-CB 3.83Å; I182-L186 HydrophobicContact CG2-CD2 4.09Å; I182-L186 HydrophobicContact CG2-CG 3.88Å; T183-L186 PolarHBondContact O-N 2.83Å; T183-L186 WeakPolarHBondContact OG1-CB 3.49Å; T183-L186 PolarHBondContact OG1-N 3.24Å; R184-L186 PolarHBondContact O-N 2.97Å; L186-L189 HydrophobicContact CD1-CD2 4.31Å; L186-L189 PolarHBondContact O-N 3.15Å; L186-I190 HydrophobicContact CG-CD1 4.24Å; L186-I190 WeakPolarHBondContact O-CD1 3.33Å; L186-I190 VanDerWaalsContact O-CG1 3.27Å; L186-I190 WeakPolarHBondContact O-CG1 3.1Å; L186-I190 PolarHBondContact O-N 3.41Å; L186-P243 HydrophobicContact CD1-CB 3.67Å; L186-P243 HydrophobicContact CD1-CG 4.48Å; L186-L244 HydrophobicContact CD1-CG 4.18Å; L186-L244 HydrophobicContact CD2-CB 4.39Å; L186-L244 HydrophobicContact CD2-CD2 3.43Å; L186-L244 VanDerWaalsContact CD2-CD2 3.43Å; L186-L244 HydrophobicContact CD2-CG 3.73Å; L186-L244 HydrophobicContact CG-CD2 3.98Å; L186-L244 HydrophobicContact CG-CG 4.12Å |
| 187 | W | 78.7 | Confident | 74 | Confident | 34 Ų | 34 | 57.2 Ų | 57.2 | 13% | 0.129 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.4 | -45.7 | 172.8 | -93 | 125.5 | 0 | 0 | 0 | 112.6 | V111 I182 T183 R184 L189 I190 I191 Y257 | V111-W187 HydrophobicContact CB-CZ2 4.42Å; V111-W187 HydrophobicContact CG2-CZ2 4.45Å; I182-W187 HydrophobicContact CB-CG 4.25Å; I182-W187 VanDerWaalsContact CB-NE1 3.29Å; I182-W187 HydrophobicContact CD1-CH2 4.36Å; I182-W187 HydrophobicContact CD1-CZ2 3.63Å; I182-W187 HydrophobicContact CG2-CB 4.22Å; I182-W187 HydrophobicContact CG2-CD2 3.87Å; I182-W187 HydrophobicContact CG2-CG 3.5Å; I182-W187 VanDerWaalsContact CG2-CG 3.5Å; T183-W187 PolarHBondContact O-N 2.96Å; R184-W187 PolarHBondContact O-N 2.82Å; W187-L189 VanDerWaalsContact C-N 3.29Å; W187-L189 PolarHBondContact O-N 3.2Å; W187-I190 HydrophobicContact CE3-CD1 4.26Å; W187-I190 PolarHBondContact O-N 2.83Å; W187-I191 WeakPolarHBondContact O-CG1 3.2Å; W187-I191 PolarHBondContact O-N 3.42Å; W187-Y257 AromaticContact CH2-CE1 3.59Å; W187-Y257 HydrophobicContact CH2-CE1 3.59Å; W187-Y257 AromaticContact CH2-CZ 3.95Å; W187-Y257 HydrophobicContact CZ2-CE1 4.47Å; W187-Y257 AromaticContact CZ3-CE1 3.86Å; W187-Y257 HydrophobicContact CZ3-CE1 3.86Å |
| 188 | L | 74.6 | Confident | 76.4 | Confident | 66 Ų | 66 | 51.9 Ų | 51.9 | 35% | 0.346 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.6 | -40.5 | 176.4 | -71.3 | 172.8 | 0 | 0 | 0 | 111.6 | A105 R184 R185 I191 A192 | A105-L188 HydrophobicContact CB-CD1 4.22Å; A105-L188 HydrophobicContact CB-CD2 3.84Å; R184-L188 HydrophobicContact CG-CD1 4.03Å; R184-L188 HydrophobicContact CG-CG 4.46Å; R184-L188 WeakPolarHBondContact O-CB 3.34Å; R184-L188 VanDerWaalsContact O-CG 3.27Å; R184-L188 WeakPolarHBondContact O-CG 3.34Å; R184-L188 PolarHBondContact O-N 3.35Å; R185-L188 PolarHBondContact O-N 2.91Å; L188-I191 PolarHBondContact O-N 3.04Å; L188-A192 VanDerWaalsContact O-CB 3.26Å; L188-A192 WeakPolarHBondContact O-CB 3.38Å; L188-A192 PolarHBondContact O-N 2.96Å |
| 189 | L | 76.1 | Confident | 78.5 | Confident | 25 Ų | 25 | 46.3 Ų | 46.3 | 13% | 0.131 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.8 | -46.6 | 175.4 | -176.3 | 71.5 | 0 | 0 | 0 | 112.3 | R185 L186 W187 I191 A192 I193 P243 E305 | R185-L189 PolarHBondContact O-N 3.26Å; L186-L189 HydrophobicContact CD1-CD2 4.31Å; L186-L189 PolarHBondContact O-N 3.15Å; W187-L189 VanDerWaalsContact C-N 3.29Å; W187-L189 PolarHBondContact O-N 3.2Å; L189-I191 VanDerWaalsContact C-N 3.32Å; L189-I191 PolarHBondContact O-N 2.96Å; L189-A192 PolarHBondContact O-N 3.07Å; L189-I193 HydrophobicContact CD1-CD1 3.92Å; L189-I193 HydrophobicContact CD1-CG1 4.46Å; L189-I193 HydrophobicContact CG-CD1 3.94Å; L189-I193 WeakPolarHBondContact O-CB 3.17Å; L189-I193 WeakPolarHBondContact O-CG1 3.42Å; L189-I193 PolarHBondContact O-N 3.27Å; L189-P243 HydrophobicContact CD2-CG 4.28Å; L189-E305 HydrophobicContact CD1-CG 4.17Å |
| 190 | I | 85.1 | Confident | 80.5 | Confident | 8 Ų | 8 | 38.6 Ų | 38.6 | 4% | 0.041 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.9 | -45.3 | 178 | -67.8 | 158.9 | 0 | 0 | 0 | 110.4 | L186 W187 T194 V240 L244 Y257 | L186-I190 HydrophobicContact CG-CD1 4.24Å; L186-I190 WeakPolarHBondContact O-CD1 3.33Å; L186-I190 VanDerWaalsContact O-CG1 3.27Å; L186-I190 WeakPolarHBondContact O-CG1 3.1Å; L186-I190 PolarHBondContact O-N 3.41Å; W187-I190 HydrophobicContact CE3-CD1 4.26Å; W187-I190 PolarHBondContact O-N 2.83Å; I190-T194 WeakPolarHBondContact O-CB 3.48Å; I190-T194 PolarHBondContact O-N 2.63Å; I190-T194 PolarHBondContact O-OG1 3.42Å; I190-V240 HydrophobicContact CG1-CG1 3.85Å; I190-L244 HydrophobicContact CD1-CD1 4Å; I190-L244 HydrophobicContact CD1-CD2 4.29Å; I190-L244 HydrophobicContact CD1-CG 4.37Å; I190-Y257 HydrophobicContact CD1-CD1 4.14Å; I190-Y257 HydrophobicContact CG2-CD1 4.22Å |
| 191 | I | 84.3 | Confident | 82.3 | Confident | 30 Ų | 30 | 35.1 Ų | 35.1 | 15% | 0.154 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66 | -47.9 | -179.6 | -69.8 | 170.5 | 0 | 0 | 0 | 110.6 | L103 F108 W187 L188 L189 I193 T194 V195 | L103-I191 HydrophobicContact CB-CG2 4.48Å; L103-I191 HydrophobicContact CD1-CG2 3.67Å; F108-I191 HydrophobicContact CD2-CD1 3.76Å; F108-I191 HydrophobicContact CE2-CD1 3.59Å; F108-I191 HydrophobicContact CG-CD1 4.41Å; F108-I191 HydrophobicContact CZ-CD1 4.12Å; W187-I191 WeakPolarHBondContact O-CG1 3.2Å; W187-I191 PolarHBondContact O-N 3.42Å; L188-I191 PolarHBondContact O-N 3.04Å; L189-I191 VanDerWaalsContact C-N 3.32Å; L189-I191 PolarHBondContact O-N 2.96Å; I191-I193 PolarHBondContact O-N 3.3Å; I191-T194 WeakPolarHBondContact O-CB 3.27Å; I191-T194 PolarHBondContact O-N 2.87Å; I191-V195 HydrophobicContact CG2-CG2 4.38Å; I191-V195 WeakPolarHBondContact O-CG2 3.35Å; I191-V195 PolarHBondContact O-N 2.98Å |
| 192 | A | 81.9 | Confident | 83.8 | Confident | 22 Ų | 22 | 33.8 Ų | 33.8 | 18% | 0.182 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -56.4 | -50 | 178 | 0 | 0 | 0 | 0 | 0 | 110.9 | L188 L189 T194 V195 H196 | L188-A192 VanDerWaalsContact O-CB 3.26Å; L188-A192 WeakPolarHBondContact O-CB 3.38Å; L188-A192 PolarHBondContact O-N 2.96Å; L189-A192 PolarHBondContact O-N 3.07Å; A192-T194 VanDerWaalsContact C-N 3.29Å; A192-T194 PolarHBondContact O-N 2.91Å; A192-V195 PolarHBondContact O-N 3.34Å; A192-H196 VanDerWaalsContact O-CB 3.27Å; A192-H196 WeakPolarHBondContact O-CB 3.41Å; A192-H196 PolarHBondContact O-N 2.99Å |
| 193 | I | 86.9 | Confident | 84.9 | Confident | 5 Ų | 5 | 33.7 Ų | 33.7 | 3% | 0.026 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.9 | -32.6 | 176.8 | -65.2 | 172.5 | 0 | 0 | 0 | 111.5 | L189 I191 H196 N197 E236 A239 V240 | L189-I193 HydrophobicContact CD1-CD1 3.92Å; L189-I193 HydrophobicContact CD1-CG1 4.46Å; L189-I193 HydrophobicContact CG-CD1 3.94Å; L189-I193 WeakPolarHBondContact O-CB 3.17Å; L189-I193 WeakPolarHBondContact O-CG1 3.42Å; L189-I193 PolarHBondContact O-N 3.27Å; I191-I193 PolarHBondContact O-N 3.3Å; I193-H196 VanDerWaalsContact O-CB 3.29Å; I193-H196 WeakPolarHBondContact O-CB 2.72Å; I193-H196 PolarHBondContact O-N 3.22Å; I193-N197 PolarHBondContact O-N 3.38Å; I193-N197 PolarHBondContact O-ND2 3.24Å; I193-E236 HydrophobicContact CG2-CB 4.21Å; I193-A239 HydrophobicContact CD1-CB 4.04Å; I193-V240 HydrophobicContact CB-CG2 3.86Å; I193-V240 HydrophobicContact CD1-CG2 3.45Å; I193-V240 VanDerWaalsContact CD1-CG2 3.45Å; I193-V240 HydrophobicContact CG1-CG2 4.23Å; I193-V240 HydrophobicContact CG2-CG2 3.66Å |
| 194 | T | 91 | Very high | 86 | Confident | 37 Ų | 37 | 29.7 Ų | 29.7 | 23% | 0.227 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.6 | -44.6 | 174.7 | -55.9 | 0 | 0 | 0 | 0 | 111.3 | I190 I191 A192 H196 N197 S261 V264 | I190-T194 WeakPolarHBondContact O-CB 3.48Å; I190-T194 PolarHBondContact O-N 2.63Å; I190-T194 PolarHBondContact O-OG1 3.42Å; I191-T194 WeakPolarHBondContact O-CB 3.27Å; I191-T194 PolarHBondContact O-N 2.87Å; A192-T194 VanDerWaalsContact C-N 3.29Å; A192-T194 PolarHBondContact O-N 2.91Å; T194-H196 PolarHBondContact O-N 3.11Å; T194-N197 PolarHBondContact O-N 2.89Å; T194-S261 WeakPolarHBondContact OG1-CB 3.44Å; T194-V264 HydrophobicContact CG2-CG1 3.8Å; T194-V264 WeakPolarHBondContact O-CG2 3.44Å |
| 195 | V | 87.3 | Confident | 87.1 | Confident | 9 Ų | 9 | 21.7 Ų | 21.7 | 6% | 0.055 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.1 | -36.2 | 175.9 | 172 | 0 | 0 | 0 | 0 | 110.5 | V96 V99 L103 I191 A192 N197 I198 P199 | V96-V195 HydrophobicContact CG1-CG1 4.31Å; V99-V195 HydrophobicContact CB-CG1 4.31Å; V99-V195 HydrophobicContact CG1-CB 4.28Å; V99-V195 HydrophobicContact CG1-CG1 3.65Å; V99-V195 HydrophobicContact CG1-CG2 3.54Å; L103-V195 HydrophobicContact CD1-CG2 3.7Å; I191-V195 HydrophobicContact CG2-CG2 4.38Å; I191-V195 WeakPolarHBondContact O-CG2 3.35Å; I191-V195 PolarHBondContact O-N 2.98Å; A192-V195 PolarHBondContact O-N 3.34Å; V195-N197 VanDerWaalsContact C-N 3.33Å; V195-N197 PolarHBondContact O-N 3.49Å; V195-I198 WeakPolarHBondContact O-CB 3.48Å; V195-I198 PolarHBondContact O-N 3.5Å; V195-I198 VanDerWaalsContact O-N 3.15Å; V195-P199 WeakPolarHBondContact O-CD 3.49Å |
| 196 | H | 88.1 | Confident | 88.2 | Confident | 1 Ų | 1 | 15.2 Ų | 15.2 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -59.6 | -39.3 | 178.1 | -174.4 | -153.8 | 0 | 0 | 0 | 114.3 | M55 A192 I193 T194 I198 P199 E200 E236 V297 | M55-H196 WeakPolarHBondContact CE-NE2 3.36Å; M55-H196 PolarHBondContact SD-CE1 2.94Å; M55-H196 PolarHBondContact SD-NE2 3Å; A192-H196 VanDerWaalsContact O-CB 3.27Å; A192-H196 WeakPolarHBondContact O-CB 3.41Å; A192-H196 PolarHBondContact O-N 2.99Å; I193-H196 VanDerWaalsContact O-CB 3.29Å; I193-H196 WeakPolarHBondContact O-CB 2.72Å; I193-H196 PolarHBondContact O-N 3.22Å; T194-H196 PolarHBondContact O-N 3.11Å; H196-I198 PolarHBondContact O-N 3.39Å; H196-P199 WeakPolarHBondContact O-CD 3.49Å; H196-E200 IonicContact CD2-OE1 3.46Å; H196-E200 IonicContact CE1-OE1 2.89Å; H196-E200 IonicContact ND1-OE1 3.96Å; H196-E200 IonicContact NE2-OE1 3.87Å; H196-E236 IonicContact CE1-OE1 3.72Å; H196-E236 PolarHBondContact CE1-OE1 3.47Å; H196-E236 IonicContact CE1-OE2 3.98Å; H196-E236 IonicContact CG-OE2 3.07Å; H196-E236 VanDerWaalsContact ND1-CD 3.26Å; H196-E236 IonicContact ND1-OE1 2.8Å; H196-E236 PolarHBondContact ND1-OE1 2.68Å; H196-E236 VanDerWaalsContact ND1-OE1 3.07Å; H196-E236 IonicContact ND1-OE2 2.91Å; H196-E236 PolarHBondContact ND1-OE2 2.89Å; H196-V297 HydrophobicContact CB-CG1 3.93Å; H196-V297 WeakPolarHBondContact CD2-CG1 3.06Å; H196-V297 WeakPolarHBondContact NE2-CG1 3.12Å |
| 197 | N | 93.2 | Very high | 89 | Confident | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -70.2 | -14.1 | 179.5 | -82.7 | -66.9 | 0 | 0 | 0 | 113 | I193 T194 V195 E200 G201 S261 V264 E265 | I193-N197 PolarHBondContact O-N 3.38Å; I193-N197 PolarHBondContact O-ND2 3.24Å; T194-N197 PolarHBondContact O-N 2.89Å; V195-N197 VanDerWaalsContact C-N 3.33Å; V195-N197 PolarHBondContact O-N 3.49Å; N197-E200 PolarHBondContact OD1-OE2 3.47Å; N197-G201 PolarHBondContact O-N 3.18Å; N197-G201 VanDerWaalsContact O-N 3.09Å; N197-S261 WeakPolarHBondContact CB-O 3.37Å; N197-S261 PolarHBondContact ND2-O 3.47Å; N197-V264 HydrophobicContact CB-CG2 3.44Å; N197-V264 VanDerWaalsContact CB-CG2 3.44Å; N197-E265 HydrophobicContact CB-CG 3.69Å; N197-E265 WeakPolarHBondContact O-CG 3.16Å; N197-E265 PolarHBondContact OD1-OE1 2.92Å |
| 198 | I | 92.3 | Very high | 89.7 | Confident | 39 Ų | 39 | 13.8 Ų | 13.8 | 20% | 0.2 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -68.6 | -54.6 | 176.9 | -63.6 | 172 | 0 | 0 | 0 | 111.3 | F95 V195 H196 E200 G201 F202 V264 A268 | F95-I198 HydrophobicContact CE1-CG2 4.06Å; F95-I198 HydrophobicContact CZ-CG2 4.22Å; V195-I198 WeakPolarHBondContact O-CB 3.48Å; V195-I198 PolarHBondContact O-N 3.5Å; V195-I198 VanDerWaalsContact O-N 3.15Å; H196-I198 PolarHBondContact O-N 3.39Å; I198-E200 VanDerWaalsContact C-N 3.26Å; I198-E200 PolarHBondContact O-N 2.96Å; I198-G201 PolarHBondContact O-N 3.14Å; I198-F202 HydrophobicContact CG2-CD2 3.71Å; I198-F202 HydrophobicContact CG2-CE2 3.36Å; I198-F202 HydrophobicContact CG2-CZ 4.26Å; I198-F202 WeakPolarHBondContact O-CD2 3.41Å; I198-F202 PolarHBondContact O-N 3.02Å; I198-V264 HydrophobicContact CG1-CB 4.15Å; I198-V264 HydrophobicContact CG1-CG2 3.88Å; I198-A268 HydrophobicContact CG2-CB 4.1Å; I198-A268 WeakPolarHBondContact O-CB 3.44Å |
| 199 | P | 91.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -50.3 | -40.5 | 171.8 | -31 | 32.7 | 0 | 0 | 0 | 114.8 | V96 V195 H196 F202 A203 A293 | V96-P199 HydrophobicContact CG2-CG 4.18Å; V195-P199 WeakPolarHBondContact O-CD 3.49Å; H196-P199 WeakPolarHBondContact O-CD 3.49Å; P199-F202 WeakPolarHBondContact O-CB 3.46Å; P199-F202 PolarHBondContact O-N 3.01Å; P199-A203 WeakPolarHBondContact O-CB 3.17Å; P199-A203 PolarHBondContact O-N 3.39Å; P199-A293 HydrophobicContact CB-CB 3.87Å; P199-A293 HydrophobicContact CG-CB 3.66Å |
| 200 | E | 94.3 | Very high | 91 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -65.7 | -47.6 | 178.5 | -69.7 | 173 | -156 | 0 | 0 | 112.2 | H196 N197 I198 F202 A203 V204 I229 Q232 N233 M294 | H196-E200 IonicContact CD2-OE1 3.46Å; H196-E200 IonicContact CE1-OE1 2.89Å; H196-E200 IonicContact ND1-OE1 3.96Å; H196-E200 IonicContact NE2-OE1 3.87Å; N197-E200 PolarHBondContact OD1-OE2 3.47Å; I198-E200 VanDerWaalsContact C-N 3.26Å; I198-E200 PolarHBondContact O-N 2.96Å; E200-F202 VanDerWaalsContact C-N 3.29Å; E200-F202 PolarHBondContact O-N 3.22Å; E200-A203 WeakPolarHBondContact O-CB 3.39Å; E200-A203 PolarHBondContact O-N 2.84Å; E200-A203 VanDerWaalsContact O-N 3.13Å; E200-V204 WeakPolarHBondContact O-CG2 3.06Å; E200-V204 PolarHBondContact O-N 3.22Å; E200-I229 HydrophobicContact CB-CD1 4.33Å; E200-I229 HydrophobicContact CB-CG2 3.89Å; E200-I229 HydrophobicContact CG-CG2 4.04Å; E200-I229 WeakPolarHBondContact OE2-CG2 3.32Å; E200-Q232 VanDerWaalsContact CD-NE2 3.31Å; E200-Q232 PolarHBondContact OE1-NE2 3.47Å; E200-N233 VanDerWaalsContact OE2-CG 3.29Å; E200-N233 PolarHBondContact OE2-ND2 3.28Å; E200-N233 PolarHBondContact OE2-OD1 2.94Å; E200-M294 HydrophobicContact CG-CE 4.19Å |
| 201 | G | 96.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -53.8 | -50 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | N197 I198 A203 V204 G205 E265 G269 | N197-G201 PolarHBondContact O-N 3.18Å; N197-G201 VanDerWaalsContact O-N 3.09Å; I198-G201 PolarHBondContact O-N 3.14Å; G201-A203 PolarHBondContact O-N 3.49Å; G201-V204 PolarHBondContact O-N 2.89Å; G201-G205 PolarHBondContact O-N 3.3Å; G201-E265 VanDerWaalsContact CA-O 3.29Å; G201-E265 WeakPolarHBondContact CA-O 3.38Å; G201-G269 VanDerWaalsContact C-CA 3.44Å; G201-G269 WeakPolarHBondContact O-CA 3.28Å; G201-G269 PolarHBondContact O-N 2.88Å |
| 202 | F | 95 | Very high | 90.9 | Very high | 29 Ų | 29 | 13 Ų | 13 | 13% | 0.127 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -56.7 | -46.3 | 175.5 | -76.4 | -49.9 | 0 | 0 | 0 | 112.9 | I198 P199 E200 V204 G205 I206 A268 I271 F289 | I198-F202 HydrophobicContact CG2-CD2 3.71Å; I198-F202 HydrophobicContact CG2-CE2 3.36Å; I198-F202 HydrophobicContact CG2-CZ 4.26Å; I198-F202 WeakPolarHBondContact O-CD2 3.41Å; I198-F202 PolarHBondContact O-N 3.02Å; P199-F202 WeakPolarHBondContact O-CB 3.46Å; P199-F202 PolarHBondContact O-N 3.01Å; E200-F202 VanDerWaalsContact C-N 3.29Å; E200-F202 PolarHBondContact O-N 3.22Å; F202-V204 PolarHBondContact O-N 2.88Å; F202-G205 PolarHBondContact O-N 2.93Å; F202-I206 HydrophobicContact CB-CD1 4.13Å; F202-I206 VanDerWaalsContact O-CB 3.26Å; F202-I206 WeakPolarHBondContact O-CB 3.1Å; F202-I206 VanDerWaalsContact O-CD1 3.3Å; F202-I206 WeakPolarHBondContact O-CD1 3.41Å; F202-I206 WeakPolarHBondContact O-CG1 3.41Å; F202-I206 PolarHBondContact O-N 3.5Å; F202-A268 HydrophobicContact CD1-CB 4.43Å; F202-A268 WeakPolarHBondContact CD1-O 3.26Å; F202-A268 HydrophobicContact CE1-CB 4.46Å; F202-A268 WeakPolarHBondContact CE1-O 3.45Å; F202-A268 HydrophobicContact CG-CB 4.44Å; F202-I271 HydrophobicContact CE1-CB 3.95Å; F202-I271 HydrophobicContact CE1-CG2 3.78Å; F202-I271 HydrophobicContact CZ-CG2 4.43Å; F202-F289 AromaticContact CD2-CE1 3.72Å; F202-F289 HydrophobicContact CD2-CE1 3.72Å; F202-F289 AromaticContact CE2-CE1 3.91Å; F202-F289 HydrophobicContact CE2-CE1 3.91Å; F202-F289 HydrophobicContact CE2-CZ 4.36Å; F202-F289 HydrophobicContact CG-CE1 4.32Å |
| 203 | A | 94.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -55.7 | -52.2 | 179 | 0 | 0 | 0 | 0 | 0 | 111.4 | L63 P199 E200 G201 G205 A207 L225 I229 A290 M294 | L63-A203 HydrophobicContact CD1-CB 4.1Å; L63-A203 HydrophobicContact CD2-CB 3.98Å; P199-A203 WeakPolarHBondContact O-CB 3.17Å; P199-A203 PolarHBondContact O-N 3.39Å; E200-A203 WeakPolarHBondContact O-CB 3.39Å; E200-A203 PolarHBondContact O-N 2.84Å; E200-A203 VanDerWaalsContact O-N 3.13Å; G201-A203 PolarHBondContact O-N 3.49Å; A203-G205 PolarHBondContact O-N 3.31Å; A203-A207 WeakPolarHBondContact O-CB 3.38Å; A203-A207 PolarHBondContact O-N 3.34Å; A203-L225 HydrophobicContact CB-CD2 4.18Å; A203-I229 HydrophobicContact CB-CD1 4Å; A203-A290 HydrophobicContact CB-CB 4.12Å; A203-M294 HydrophobicContact CB-CE 4.23Å |
| 204 | V | 96.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -61.6 | -45.5 | 177.2 | 178.6 | 0 | 0 | 0 | 0 | 111.2 | T15 T18 E200 G201 F202 A207 F208 A226 I229 | T15-V204 HydrophobicContact CG2-CB 3.92Å; T15-V204 HydrophobicContact CG2-CG1 3.72Å; T18-V204 HydrophobicContact CG2-CG2 4.34Å; E200-V204 WeakPolarHBondContact O-CG2 3.06Å; E200-V204 PolarHBondContact O-N 3.22Å; G201-V204 PolarHBondContact O-N 2.89Å; F202-V204 PolarHBondContact O-N 2.88Å; V204-A207 PolarHBondContact O-N 2.92Å; V204-F208 HydrophobicContact CG1-CD2 3.72Å; V204-F208 HydrophobicContact CG1-CE2 3.61Å; V204-F208 WeakPolarHBondContact O-CD2 3.42Å; V204-F208 PolarHBondContact O-N 2.91Å; V204-F208 VanDerWaalsContact O-N 3.12Å; V204-A226 HydrophobicContact CG1-CB 4.25Å; V204-A226 HydrophobicContact CG2-CB 4.36Å; V204-I229 HydrophobicContact CG2-CD1 3.58Å |
| 205 | G | 95.5 | Very high | 89 | Confident | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.4 | -47 | 180 | 0 | 0 | 0 | 0 | 0 | 113.9 | G201 F202 A203 G209 G269 C273 | G201-G205 PolarHBondContact O-N 3.3Å; F202-G205 PolarHBondContact O-N 2.93Å; A203-G205 PolarHBondContact O-N 3.31Å; G205-G209 PolarHBondContact O-N 3.26Å; G205-G269 WeakPolarHBondContact CA-O 3.33Å; G205-C273 VanDerWaalsContact O-CA 3.26Å; G205-C273 WeakPolarHBondContact O-CA 3.37Å; G205-C273 WeakPolarHBondContact O-CB 3.43Å |
| 206 | I | 94 | Very high | 88.3 | Confident | 4 Ų | 4 | 18.4 Ų | 18.4 | 2% | 0.021 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.7 | -40.8 | -179.8 | -70.2 | 161.2 | 0 | 0 | 0 | 110.5 | F202 G210 V276 Q283 A286 L287 A290 | F202-I206 HydrophobicContact CB-CD1 4.13Å; F202-I206 VanDerWaalsContact O-CB 3.26Å; F202-I206 WeakPolarHBondContact O-CB 3.1Å; F202-I206 VanDerWaalsContact O-CD1 3.3Å; F202-I206 WeakPolarHBondContact O-CD1 3.41Å; F202-I206 WeakPolarHBondContact O-CG1 3.41Å; F202-I206 PolarHBondContact O-N 3.5Å; I206-G210 PolarHBondContact O-N 3.17Å; I206-G210 VanDerWaalsContact O-N 3.14Å; I206-V276 HydrophobicContact CG1-CG1 4.23Å; I206-V276 HydrophobicContact CG2-CG1 4Å; I206-Q283 HydrophobicContact CG2-CG 4.48Å; I206-A286 HydrophobicContact CD1-CB 3.69Å; I206-A286 WeakPolarHBondContact CD1-O 3.33Å; I206-A286 HydrophobicContact CG1-CB 4.06Å; I206-A286 HydrophobicContact CG2-CB 4.08Å; I206-L287 HydrophobicContact CB-CD2 4.41Å; I206-L287 HydrophobicContact CG2-CD2 3.51Å; I206-L287 HydrophobicContact CG2-CG 3.65Å; I206-A290 HydrophobicContact CD1-CB 4.3Å |
| 207 | A | 92.4 | Very high | 87.9 | Confident | 15 Ų | 15 | 19 Ų | 19 | 12% | 0.124 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.9 | -49.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A203 V204 G210 A222 L225 | A203-A207 WeakPolarHBondContact O-CB 3.38Å; A203-A207 PolarHBondContact O-N 3.34Å; V204-A207 PolarHBondContact O-N 2.92Å; A207-G210 PolarHBondContact O-N 2.98Å; A207-A222 HydrophobicContact CB-CB 3.88Å; A207-L225 HydrophobicContact CB-CD2 3.76Å |
| 208 | F | 93.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -70.8 | -36.8 | 177.2 | -73 | -57.7 | 0 | 0 | 0 | 113.7 | M1 Q10 T11 V204 G210 L211 A222 A226 | M1-F208 HydrophobicContact CE-CD1 4.43Å; M1-F208 HydrophobicContact CE-CE1 3.16Å; M1-F208 HydrophobicContact CE-CE2 4.15Å; M1-F208 HydrophobicContact CE-CZ 3Å; M1-F208 HydrophobicContact SD-CE1 4.47Å; M1-F208 HydrophobicContact SD-CZ 3.79Å; Q10-F208 HydrophobicContact CB-CB 4.15Å; Q10-F208 HydrophobicContact CB-CD1 3.6Å; Q10-F208 HydrophobicContact CB-CD2 4.49Å; Q10-F208 HydrophobicContact CB-CE1 4.24Å; Q10-F208 HydrophobicContact CB-CG 3.82Å; Q10-F208 VanDerWaalsContact OE1-CD1 3.26Å; T11-F208 WeakPolarHBondContact OG1-CB 3.41Å; V204-F208 HydrophobicContact CG1-CD2 3.72Å; V204-F208 HydrophobicContact CG1-CE2 3.61Å; V204-F208 WeakPolarHBondContact O-CD2 3.42Å; V204-F208 PolarHBondContact O-N 2.91Å; V204-F208 VanDerWaalsContact O-N 3.12Å; F208-G210 PolarHBondContact O-N 3.29Å; F208-L211 HydrophobicContact CD1-CD1 3.83Å; F208-L211 HydrophobicContact CD1-CG 4.48Å; F208-L211 WeakPolarHBondContact O-CB 3.37Å; F208-L211 VanDerWaalsContact O-CG 3.32Å; F208-L211 WeakPolarHBondContact O-CG 3.49Å; F208-L211 PolarHBondContact O-N 3.5Å; F208-A222 HydrophobicContact CD1-CB 3.6Å; F208-A222 HydrophobicContact CE1-CB 3.31Å; F208-A222 HydrophobicContact CG-CB 4.25Å; F208-A222 HydrophobicContact CZ-CB 3.78Å; F208-A222 WeakPolarHBondContact CZ-O 3.4Å; F208-A226 HydrophobicContact CE2-CB 4.06Å; F208-A226 HydrophobicContact CZ-CB 4.21Å |
| 209 | G | 91.6 | Very high | 87.5 | Confident | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.8 | -27.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | G205 Q213 | G205-G209 PolarHBondContact O-N 3.26Å; G209-Q213 PolarHBondContact O-NE2 2.98Å |
| 210 | G | 86.6 | Confident | 87.3 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | I206 A207 F208 G212 Q213 A217 | I206-G210 PolarHBondContact O-N 3.17Å; I206-G210 VanDerWaalsContact O-N 3.14Å; A207-G210 PolarHBondContact O-N 2.98Å; F208-G210 PolarHBondContact O-N 3.29Å; G210-G212 PolarHBondContact O-N 2.94Å; G210-Q213 VanDerWaalsContact O-CB 3.23Å; G210-Q213 WeakPolarHBondContact O-CB 3.47Å; G210-Q213 WeakPolarHBondContact O-CG 3.3Å; G210-Q213 PolarHBondContact O-N 3.42Å; G210-A217 WeakPolarHBondContact O-CB 3.49Å |
| 211 | L | 87.5 | Confident | 87 | Confident | 33 Ų | 33 | 25.4 Ų | 25.4 | 17% | 0.173 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 132.6 | -175.2 | -71.1 | -176.6 | 0 | 0 | 0 | 112.9 | F208 Q213 A217 T218 F219 A222 | F208-L211 HydrophobicContact CD1-CD1 3.83Å; F208-L211 HydrophobicContact CD1-CG 4.48Å; F208-L211 WeakPolarHBondContact O-CB 3.37Å; F208-L211 VanDerWaalsContact O-CG 3.32Å; F208-L211 WeakPolarHBondContact O-CG 3.49Å; F208-L211 PolarHBondContact O-N 3.5Å; L211-Q213 PolarHBondContact O-N 2.85Å; L211-Q213 VanDerWaalsContact O-N 3.13Å; L211-A217 WeakPolarHBondContact CD2-O 3.33Å; L211-T218 VanDerWaalsContact CD2-O 3.31Å; L211-T218 WeakPolarHBondContact CD2-O 3.18Å; L211-F219 HydrophobicContact CD1-CD2 4.06Å; L211-F219 HydrophobicContact CD2-CB 4.47Å; L211-A222 HydrophobicContact CD2-CB 4.23Å |
| 212 | G | 79.3 | Confident | 86.7 | Confident | 77 Ų | 77 | 25.5 Ų | 25.5 | 79% | 0.794 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.5 | 0.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | G210 A217 | G210-G212 PolarHBondContact O-N 2.94Å; G212-A217 PolarHBondContact N-O 2.85Å |
| 213 | Q | 77.2 | Confident | 86.6 | Confident | 26 Ų | 26 | 25 Ų | 25 | 12% | 0.121 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -28.2 | 177.3 | -57.4 | -165.2 | 19.5 | 0 | 0 | 112.9 | G209 G210 L211 V276 R280 | G209-Q213 PolarHBondContact O-NE2 2.98Å; G210-Q213 VanDerWaalsContact O-CB 3.23Å; G210-Q213 WeakPolarHBondContact O-CB 3.47Å; G210-Q213 WeakPolarHBondContact O-CG 3.3Å; G210-Q213 PolarHBondContact O-N 3.42Å; L211-Q213 PolarHBondContact O-N 2.85Å; L211-Q213 VanDerWaalsContact O-N 3.13Å; Q213-V276 PolarHBondContact NE2-O 3.39Å; Q213-R280 PolarHBondContact O-NH2 3.38Å; Q213-R280 VanDerWaalsContact OE1-CG 3.31Å |
| 214 | Y | 73.7 | Confident | 86.5 | Confident | 26 Ų | 26 | 25.3 Ų | 25.3 | 10% | 0.102 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -143.2 | 151.3 | -170 | -63.2 | -61.8 | 0 | 0 | 0 | 111.4 | M70 D74 R216 A217 R280 Q283 | M70-Y214 HydrophobicContact CG-CD2 4.45Å; M70-Y214 HydrophobicContact CG-CG 4.11Å; M70-Y214 HydrophobicContact SD-CD2 4.06Å; M70-Y214 HydrophobicContact SD-CG 4.28Å; D74-Y214 HydrophobicContact CB-CD1 3.61Å; D74-Y214 HydrophobicContact CB-CE1 3.52Å; D74-Y214 WeakPolarHBondContact OD2-CD1 3.47Å; Y214-R216 PolarHBondContact O-N 2.8Å; Y214-R216 VanDerWaalsContact O-N 3.09Å; Y214-A217 PolarHBondContact O-N 2.87Å; Y214-R280 VanDerWaalsContact OH-CB 3.32Å; Y214-R280 WeakPolarHBondContact OH-CB 3.46Å; Y214-R280 PolarHBondContact OH-O 3.45Å; Y214-Q283 HydrophobicContact CD2-CB 4.47Å; Y214-Q283 VanDerWaalsContact CD2-CD 3.41Å; Y214-Q283 HydrophobicContact CD2-CG 4.36Å; Y214-Q283 HydrophobicContact CE2-CB 3.8Å; Y214-Q283 HydrophobicContact CE2-CG 4.18Å |
| 215 | S | 69.6 | Low | 86.3 | Confident | 95 Ų | 95 | 25.4 Ų | 25.4 | 66% | 0.664 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -33.3 | -173.4 | -168.3 | 0 | 0 | 0 | 0 | 113.3 | ||
| 216 | R | 72.2 | Confident | 86.4 | Confident | 40 Ų | 40 | 25.4 Ų | 25.4 | 15% | 0.151 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -10.4 | -179.2 | -167.3 | 154.1 | -176.2 | 130.1 | 10.2 | 113.9 | E65 E69 Y214 T218 Q221 E334 | E65-R216 IonicContact OE1-CZ 3.56Å; E65-R216 IonicContact OE1-NH2 2.96Å; E69-R216 VanDerWaalsContact CD-CD 3.41Å; E69-R216 WeakPolarHBondContact OE2-CD 3.47Å; E69-R216 IonicContact OE2-CZ 3.7Å; E69-R216 IonicContact OE2-NE 3.93Å; E69-R216 PolarHBondContact OE2-NE 3.06Å; E69-R216 IonicContact OE2-NH1 2.73Å; E69-R216 PolarHBondContact OE2-NH1 3.38Å; Y214-R216 PolarHBondContact O-N 2.8Å; Y214-R216 VanDerWaalsContact O-N 3.09Å; R216-T218 PolarHBondContact O-N 2.88Å; R216-Q221 VanDerWaalsContact CG-OE1 3.23Å; R216-Q221 PolarHBondContact O-OE1 2.87Å; R216-E334 IonicContact CZ-OE1 3.59Å; R216-E334 IonicContact NH2-OE1 3.49Å; R216-E334 PolarHBondContact NH2-OE1 3.23Å |
| 217 | A | 79.7 | Confident | 86.4 | Confident | 13 Ų | 13 | 28.2 Ų | 28.2 | 11% | 0.107 | 18% | 0.178 | C | C | . | . | trans | -77.4 | 71.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | M70 G210 L211 G212 Y214 | M70-A217 HydrophobicContact CE-CB 3.96Å; G210-A217 WeakPolarHBondContact O-CB 3.49Å; L211-A217 WeakPolarHBondContact CD2-O 3.33Å; G212-A217 PolarHBondContact N-O 2.85Å; Y214-A217 PolarHBondContact O-N 2.87Å | ||
| 218 | T | 86.5 | Confident | 86.5 | Confident | 55 Ų | 55 | 27.5 Ų | 27.5 | 34% | 0.337 | 17% | 0.172 | S | C | . | . | trans | -89.7 | 150.3 | -178.1 | 67.1 | 0 | 0 | 0 | 0 | 110.9 | L211 R216 S220 Q221 A222 | L211-T218 VanDerWaalsContact CD2-O 3.31Å; L211-T218 WeakPolarHBondContact CD2-O 3.18Å; R216-T218 PolarHBondContact O-N 2.88Å; T218-S220 PolarHBondContact O-N 2.9Å; T218-Q221 PolarHBondContact O-N 3.31Å; T218-Q221 WeakPolarHBondContact OG1-CB 3.44Å; T218-Q221 WeakPolarHBondContact OG1-CG 3.36Å; T218-Q221 PolarHBondContact OG1-N 3.26Å; T218-A222 PolarHBondContact O-N 3.49Å | ||
| 219 | F | 89.6 | Confident | 86.6 | Confident | 49 Ų | 49 | 27.7 Ų | 27.7 | 22% | 0.215 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -56.9 | -42.9 | 174.9 | 178.6 | -105.8 | 0 | 0 | 0 | 111.1 | M1 E3 L211 Q221 A222 C223 | M1-F219 HydrophobicContact CB-CE2 4.27Å; M1-F219 HydrophobicContact CB-CZ 3.88Å; M1-F219 HydrophobicContact CE-CE2 3.81Å; M1-F219 HydrophobicContact CE-CZ 3.9Å; E3-F219 HydrophobicContact CG-CD1 3.7Å; E3-F219 HydrophobicContact CG-CE1 3.47Å; E3-F219 VanDerWaalsContact CG-CE1 3.47Å; E3-F219 HydrophobicContact CG-CG 4.37Å; E3-F219 HydrophobicContact CG-CZ 3.98Å; L211-F219 HydrophobicContact CD1-CD2 4.06Å; L211-F219 HydrophobicContact CD2-CB 4.47Å; F219-Q221 PolarHBondContact O-N 3.19Å; F219-A222 PolarHBondContact O-N 3.39Å; F219-C223 WeakPolarHBondContact CE1-SG 3.36Å; F219-C223 PolarHBondContact O-N 3.36Å; F219-C223 PolarHBondContact O-SG 3.36Å |
| 220 | S | 88.4 | Confident | 86.8 | Confident | 44 Ų | 44 | 28 Ų | 28 | 31% | 0.308 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -56.3 | -51.4 | 179.3 | -165 | 0 | 0 | 0 | 0 | 112.5 | T218 A222 C223 N224 | T218-S220 PolarHBondContact O-N 2.9Å; S220-A222 VanDerWaalsContact C-N 3.34Å; S220-A222 PolarHBondContact O-N 3.41Å; S220-C223 VanDerWaalsContact O-CB 3.24Å; S220-C223 WeakPolarHBondContact O-CB 3.36Å; S220-C223 PolarHBondContact O-N 3.37Å; S220-C223 VanDerWaalsContact O-N 3.12Å; S220-N224 PolarHBondContact O-N 3.38Å; S220-N224 PolarHBondContact O-ND2 3.41Å; S220-N224 VanDerWaalsContact O-ND2 3.12Å; S220-N224 PolarHBondContact O-OD1 2.83Å |
| 221 | Q | 86.5 | Confident | 87.3 | Confident | 26 Ų | 26 | 30.8 Ų | 30.8 | 12% | 0.121 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.8 | -40.4 | 179.3 | -74.7 | 177.9 | -6.3 | 0 | 0 | 112.4 | R216 T218 F219 C223 N224 L225 E334 | R216-Q221 VanDerWaalsContact CG-OE1 3.23Å; R216-Q221 PolarHBondContact O-OE1 2.87Å; T218-Q221 PolarHBondContact O-N 3.31Å; T218-Q221 WeakPolarHBondContact OG1-CB 3.44Å; T218-Q221 WeakPolarHBondContact OG1-CG 3.36Å; T218-Q221 PolarHBondContact OG1-N 3.26Å; F219-Q221 PolarHBondContact O-N 3.19Å; Q221-C223 VanDerWaalsContact C-N 3.34Å; Q221-C223 PolarHBondContact O-N 3.48Å; Q221-N224 PolarHBondContact O-N 3.11Å; Q221-L225 PolarHBondContact O-N 3.28Å; Q221-E334 PolarHBondContact NE2-OE1 3.32Å |
| 222 | A | 91.8 | Very high | 87.7 | Confident | 3 Ų | 3 | 29.2 Ų | 29.2 | 3% | 0.025 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65 | -37.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A207 F208 L211 T218 F219 S220 A226 | A207-A222 HydrophobicContact CB-CB 3.88Å; F208-A222 HydrophobicContact CD1-CB 3.6Å; F208-A222 HydrophobicContact CE1-CB 3.31Å; F208-A222 HydrophobicContact CG-CB 4.25Å; F208-A222 HydrophobicContact CZ-CB 3.78Å; F208-A222 WeakPolarHBondContact CZ-O 3.4Å; L211-A222 HydrophobicContact CD2-CB 4.23Å; T218-A222 PolarHBondContact O-N 3.49Å; F219-A222 PolarHBondContact O-N 3.39Å; S220-A222 VanDerWaalsContact C-N 3.34Å; S220-A222 PolarHBondContact O-N 3.41Å; A222-A226 WeakPolarHBondContact O-CB 3.35Å; A222-A226 PolarHBondContact O-N 3.26Å; A222-A226 VanDerWaalsContact O-N 3.1Å |
| 223 | C | 92.6 | Very high | 88.5 | Confident | 18 Ų | 18 | 25.6 Ų | 25.6 | 12% | 0.122 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.2 | -49.1 | 170.2 | -61.9 | 0 | 0 | 0 | 0 | 111.7 | M1 F219 S220 Q221 L225 A226 I227 | M1-C223 HydrophobicContact CE-CB 3.81Å; M1-C223 WeakPolarHBondContact CE-SG 3.1Å; M1-C223 HydrophobicContact SD-CB 4.32Å; F219-C223 WeakPolarHBondContact CE1-SG 3.36Å; F219-C223 PolarHBondContact O-N 3.36Å; F219-C223 PolarHBondContact O-SG 3.36Å; S220-C223 VanDerWaalsContact O-CB 3.24Å; S220-C223 WeakPolarHBondContact O-CB 3.36Å; S220-C223 PolarHBondContact O-N 3.37Å; S220-C223 VanDerWaalsContact O-N 3.12Å; Q221-C223 VanDerWaalsContact C-N 3.34Å; Q221-C223 PolarHBondContact O-N 3.48Å; C223-L225 VanDerWaalsContact C-N 3.35Å; C223-L225 PolarHBondContact O-N 3Å; C223-A226 PolarHBondContact O-N 3.41Å; C223-I227 WeakPolarHBondContact O-CB 3.47Å; C223-I227 VanDerWaalsContact O-CG1 3.26Å; C223-I227 WeakPolarHBondContact O-CG1 3.43Å; C223-I227 PolarHBondContact O-N 3.13Å |
| 224 | N | 91.6 | Very high | 89.4 | Confident | 7 Ų | 7 | 27.1 Ų | 27.1 | 4% | 0.037 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.7 | -41.4 | -174.3 | -59 | -29.1 | 0 | 0 | 0 | 111.9 | S220 Q221 A226 I227 G228 T333 | S220-N224 PolarHBondContact O-N 3.38Å; S220-N224 PolarHBondContact O-ND2 3.41Å; S220-N224 VanDerWaalsContact O-ND2 3.12Å; S220-N224 PolarHBondContact O-OD1 2.83Å; Q221-N224 PolarHBondContact O-N 3.11Å; N224-A226 VanDerWaalsContact C-N 3.35Å; N224-I227 PolarHBondContact O-N 3.39Å; N224-G228 PolarHBondContact O-N 3.29Å; N224-T333 WeakPolarHBondContact ND2-CB 3.48Å; N224-T333 PolarHBondContact ND2-OG1 3.29Å; N224-T333 VanDerWaalsContact OD1-CG2 3.22Å; N224-T333 WeakPolarHBondContact OD1-CG2 3.45Å |
| 225 | L | 93.2 | Very high | 90.3 | Very high | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.3 | -48.8 | 172.6 | 176.1 | 59.6 | 0 | 0 | 0 | 110.8 | A58 L63 A203 A207 Q221 C223 I227 G228 I229 | A58-L225 HydrophobicContact CB-CD1 4.19Å; L63-L225 HydrophobicContact CD2-CD2 3.8Å; A203-L225 HydrophobicContact CB-CD2 4.18Å; A207-L225 HydrophobicContact CB-CD2 3.76Å; Q221-L225 PolarHBondContact O-N 3.28Å; C223-L225 VanDerWaalsContact C-N 3.35Å; C223-L225 PolarHBondContact O-N 3Å; L225-I227 VanDerWaalsContact C-N 3.33Å; L225-I227 PolarHBondContact O-N 3.4Å; L225-G228 PolarHBondContact O-N 3.18Å; L225-I229 HydrophobicContact CD1-CD1 3.71Å; L225-I229 HydrophobicContact CD1-CG1 4.16Å; L225-I229 HydrophobicContact CG-CD1 3.98Å; L225-I229 WeakPolarHBondContact O-CB 3.31Å; L225-I229 WeakPolarHBondContact O-CG1 3.28Å; L225-I229 PolarHBondContact O-N 3.34Å |
| 226 | A | 96 | Very high | 91.4 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63 | -38.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | M1 T18 V204 F208 A222 C223 N224 A230 | M1-A226 HydrophobicContact SD-CB 4.45Å; T18-A226 WeakPolarHBondContact CG2-O 3.27Å; V204-A226 HydrophobicContact CG1-CB 4.25Å; V204-A226 HydrophobicContact CG2-CB 4.36Å; F208-A226 HydrophobicContact CE2-CB 4.06Å; F208-A226 HydrophobicContact CZ-CB 4.21Å; A222-A226 WeakPolarHBondContact O-CB 3.35Å; A222-A226 PolarHBondContact O-N 3.26Å; A222-A226 VanDerWaalsContact O-N 3.1Å; C223-A226 PolarHBondContact O-N 3.41Å; N224-A226 VanDerWaalsContact C-N 3.35Å; A226-A230 VanDerWaalsContact O-CB 3.25Å; A226-A230 WeakPolarHBondContact O-CB 3.37Å; A226-A230 PolarHBondContact O-N 2.93Å |
| 227 | I | 95.1 | Very high | 92.5 | Very high | 63 Ų | 63 | 19.9 Ų | 19.9 | 32% | 0.323 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -69.4 | -43.4 | 176.4 | -70.4 | 165.5 | 0 | 0 | 0 | 110.8 | C223 N224 L225 A230 I231 L329 | C223-I227 WeakPolarHBondContact O-CB 3.47Å; C223-I227 VanDerWaalsContact O-CG1 3.26Å; C223-I227 WeakPolarHBondContact O-CG1 3.43Å; C223-I227 PolarHBondContact O-N 3.13Å; N224-I227 PolarHBondContact O-N 3.39Å; L225-I227 VanDerWaalsContact C-N 3.33Å; L225-I227 PolarHBondContact O-N 3.4Å; I227-A230 PolarHBondContact O-N 3.26Å; I227-I231 HydrophobicContact CG2-CD1 3.78Å; I227-I231 HydrophobicContact CG2-CG1 4.42Å; I227-I231 VanDerWaalsContact O-CG1 3.28Å; I227-I231 WeakPolarHBondContact O-CG1 2.93Å; I227-I231 PolarHBondContact O-N 3.33Å; I227-L329 HydrophobicContact CG2-CD1 4.3Å; I227-L329 HydrophobicContact CG2-CD2 4.43Å |
| 228 | G | 94.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -58.6 | -49.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | I54 N224 L225 I231 Q232 | I54-G228 WeakPolarHBondContact CG2-O 3.25Å; N224-G228 PolarHBondContact O-N 3.29Å; L225-G228 PolarHBondContact O-N 3.18Å; G228-I231 PolarHBondContact O-N 3.37Å; G228-Q232 PolarHBondContact O-N 3.15Å |
| 229 | I | 95.8 | Very high | 93.4 | Very high | 4 Ų | 4 | 16.8 Ų | 16.8 | 2% | 0.021 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -59.9 | -47.3 | 173 | -67.4 | 170.3 | 0 | 0 | 0 | 110 | T18 E200 A203 V204 L225 I231 Q232 N233 M294 | T18-I229 HydrophobicContact CG2-CB 3.95Å; T18-I229 HydrophobicContact CG2-CG2 3.55Å; E200-I229 HydrophobicContact CB-CD1 4.33Å; E200-I229 HydrophobicContact CB-CG2 3.89Å; E200-I229 HydrophobicContact CG-CG2 4.04Å; E200-I229 WeakPolarHBondContact OE2-CG2 3.32Å; A203-I229 HydrophobicContact CB-CD1 4Å; V204-I229 HydrophobicContact CG2-CD1 3.58Å; L225-I229 HydrophobicContact CD1-CD1 3.71Å; L225-I229 HydrophobicContact CD1-CG1 4.16Å; L225-I229 HydrophobicContact CG-CD1 3.98Å; L225-I229 WeakPolarHBondContact O-CB 3.31Å; L225-I229 WeakPolarHBondContact O-CG1 3.28Å; L225-I229 PolarHBondContact O-N 3.34Å; I229-I231 VanDerWaalsContact C-N 3.27Å; I229-I231 PolarHBondContact O-N 3.36Å; I229-Q232 WeakPolarHBondContact O-CG 3.19Å; I229-Q232 PolarHBondContact O-N 2.83Å; I229-Q232 VanDerWaalsContact O-N 3.11Å; I229-N233 VanDerWaalsContact O-CG 3.23Å; I229-N233 PolarHBondContact O-N 3.08Å; I229-N233 PolarHBondContact O-OD1 2.99Å; I229-M294 HydrophobicContact CD1-CE 4.4Å |
| 230 | A | 96.8 | Very high | 93.6 | Very high | 6 Ų | 6 | 14.5 Ų | 14.5 | 5% | 0.05 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -57.6 | -41.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L17 T18 V21 A226 I227 Q232 N233 | L17-A230 HydrophobicContact CD2-CB 4.2Å; L17-A230 HydrophobicContact CG-CB 3.98Å; T18-A230 HydrophobicContact CG2-CB 4Å; V21-A230 HydrophobicContact CB-CB 4.37Å; V21-A230 WeakPolarHBondContact CB-O 3.27Å; V21-A230 WeakPolarHBondContact CG1-O 2.95Å; V21-A230 HydrophobicContact CG2-CB 4.06Å; A226-A230 VanDerWaalsContact O-CB 3.25Å; A226-A230 WeakPolarHBondContact O-CB 3.37Å; A226-A230 PolarHBondContact O-N 2.93Å; I227-A230 PolarHBondContact O-N 3.26Å; A230-Q232 VanDerWaalsContact C-N 3.33Å; A230-Q232 PolarHBondContact O-N 2.81Å; A230-N233 PolarHBondContact O-N 3.35Å |
| 231 | I | 95.8 | Very high | 93.8 | Very high | 59 Ų | 59 | 12.4 Ų | 12.4 | 30% | 0.303 | 6% | 0.064 | S | C | . | . | H | α-helix | trans | -60.3 | -41.4 | 179.4 | -75.3 | 164.2 | 0 | 0 | 0 | 112 | F50 I54 I227 G228 I229 P235 L329 | F50-I231 HydrophobicContact CE1-CG2 3.64Å; F50-I231 HydrophobicContact CZ-CG2 3.7Å; I54-I231 HydrophobicContact CD1-CG2 4.24Å; I227-I231 HydrophobicContact CG2-CD1 3.78Å; I227-I231 HydrophobicContact CG2-CG1 4.42Å; I227-I231 VanDerWaalsContact O-CG1 3.28Å; I227-I231 WeakPolarHBondContact O-CG1 2.93Å; I227-I231 PolarHBondContact O-N 3.33Å; G228-I231 PolarHBondContact O-N 3.37Å; I229-I231 VanDerWaalsContact C-N 3.27Å; I229-I231 PolarHBondContact O-N 3.36Å; I231-P235 WeakPolarHBondContact O-CD 3.39Å; I231-L329 HydrophobicContact CD1-CD1 3.77Å |
| 232 | Q | 95.7 | Very high | 94.1 | Very high | 1 Ų | 1 | 11.3 Ų | 11.3 | 1% | 0.005 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -83.9 | -19.1 | -177.4 | 73.4 | 105.1 | 43.3 | 0 | 0 | 113.9 | S51 I54 M55 E200 G228 I229 A230 F234 P235 E236 | S51-Q232 VanDerWaalsContact CB-OE1 3.24Å; S51-Q232 PolarHBondContact O-OE1 3.2Å; S51-Q232 PolarHBondContact OG-OE1 3.5Å; I54-Q232 HydrophobicContact CB-CB 3.89Å; I54-Q232 HydrophobicContact CB-CG 4.26Å; I54-Q232 HydrophobicContact CG1-CB 4.08Å; I54-Q232 HydrophobicContact CG2-CB 3.88Å; I54-Q232 HydrophobicContact CG2-CG 3.86Å; M55-Q232 PolarHBondContact SD-OE1 2.96Å; M55-Q232 VanDerWaalsContact SD-OE1 3.37Å; E200-Q232 VanDerWaalsContact CD-NE2 3.31Å; E200-Q232 PolarHBondContact OE1-NE2 3.47Å; G228-Q232 PolarHBondContact O-N 3.15Å; I229-Q232 WeakPolarHBondContact O-CG 3.19Å; I229-Q232 PolarHBondContact O-N 2.83Å; I229-Q232 VanDerWaalsContact O-N 3.11Å; A230-Q232 VanDerWaalsContact C-N 3.33Å; A230-Q232 PolarHBondContact O-N 2.81Å; Q232-F234 PolarHBondContact O-N 3.08Å; Q232-P235 WeakPolarHBondContact O-CB 3.26Å; Q232-P235 WeakPolarHBondContact O-CD 3.34Å; Q232-P235 WeakPolarHBondContact O-CG 3.34Å; Q232-E236 PolarHBondContact NE2-OE1 2.85Å; Q232-E236 PolarHBondContact O-N 3.41Å; Q232-E236 PolarHBondContact OE1-OE1 3.41Å |
| 233 | N | 96.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -69 | -22.5 | 175.4 | -73.5 | 31.1 | 0 | 0 | 0 | 112.6 | T22 E200 I229 A230 E236 G237 E265 | T22-N233 WeakPolarHBondContact CA-O 3.06Å; T22-N233 WeakPolarHBondContact OG1-CB 3.28Å; E200-N233 VanDerWaalsContact OE2-CG 3.29Å; E200-N233 PolarHBondContact OE2-ND2 3.28Å; E200-N233 PolarHBondContact OE2-OD1 2.94Å; I229-N233 VanDerWaalsContact O-CG 3.23Å; I229-N233 PolarHBondContact O-N 3.08Å; I229-N233 PolarHBondContact O-OD1 2.99Å; A230-N233 PolarHBondContact O-N 3.35Å; N233-E236 PolarHBondContact O-N 3.31Å; N233-G237 PolarHBondContact O-N 3.21Å; N233-E265 PolarHBondContact ND2-OE1 3.26Å; N233-E265 PolarHBondContact ND2-OE2 3.47Å |
| 234 | F | 95.8 | Very high | 93.8 | Very high | 59 Ų | 59 | 11.8 Ų | 11.8 | 26% | 0.259 | 6% | 0.062 | S | C | . | . | H | α-helix | trans | -59.2 | -55.6 | 170.6 | 179.8 | -73.3 | 0 | 0 | 0 | 111.7 | V21 I24 G25 F28 Q232 E236 G237 L238 | V21-F234 HydrophobicContact CG1-CB 3.66Å; I24-F234 HydrophobicContact CB-CD2 4.43Å; I24-F234 HydrophobicContact CG2-CD2 3.86Å; I24-F234 HydrophobicContact CG2-CE2 3.69Å; G25-F234 VanDerWaalsContact CA-O 3.31Å; G25-F234 WeakPolarHBondContact CA-O 3.48Å; F28-F234 HydrophobicContact CB-CZ 4.09Å; F28-F234 AromaticContact CD1-CZ 3.77Å; F28-F234 HydrophobicContact CD1-CZ 3.77Å; F28-F234 AromaticContact CD2-CE2 3.81Å; F28-F234 HydrophobicContact CD2-CE2 3.81Å; F28-F234 AromaticContact CD2-CZ 3.73Å; F28-F234 HydrophobicContact CD2-CZ 3.73Å; F28-F234 HydrophobicContact CE1-CZ 4.08Å; F28-F234 AromaticContact CE2-CE2 3.92Å; F28-F234 HydrophobicContact CE2-CE2 3.92Å; F28-F234 HydrophobicContact CE2-CZ 4.05Å; F28-F234 HydrophobicContact CG-CE2 4.16Å; F28-F234 AromaticContact CG-CZ 3.59Å; F28-F234 HydrophobicContact CG-CZ 3.59Å; F28-F234 HydrophobicContact CZ-CE2 4.35Å; F28-F234 HydrophobicContact CZ-CZ 4.2Å; Q232-F234 PolarHBondContact O-N 3.08Å; F234-E236 VanDerWaalsContact C-N 3.26Å; F234-E236 PolarHBondContact O-N 3.14Å; F234-G237 PolarHBondContact O-N 3.42Å; F234-L238 PolarHBondContact O-N 3.31Å; F234-L238 VanDerWaalsContact O-N 3.12Å |
| 235 | P | 93.6 | Very high | 93.7 | Very high | 8 Ų | 8 | 14.1 Ų | 14.1 | 5% | 0.052 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -45.4 | -44.6 | 168 | -33.6 | 31.5 | 0 | 0 | 0 | 115.4 | S47 F50 I231 Q232 L238 A239 | S47-P235 WeakPolarHBondContact O-CB 3.18Å; F50-P235 HydrophobicContact CD1-CG 3.88Å; F50-P235 HydrophobicContact CE1-CG 4.46Å; I231-P235 WeakPolarHBondContact O-CD 3.39Å; Q232-P235 WeakPolarHBondContact O-CB 3.26Å; Q232-P235 WeakPolarHBondContact O-CD 3.34Å; Q232-P235 WeakPolarHBondContact O-CG 3.34Å; P235-L238 WeakPolarHBondContact O-CB 3.45Å; P235-L238 PolarHBondContact O-N 2.9Å; P235-A239 WeakPolarHBondContact O-CB 3.43Å; P235-A239 PolarHBondContact O-N 2.94Å |
| 236 | E | 92.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -69.8 | -45.1 | -176.5 | -66 | -168.3 | -156.2 | 0 | 0 | 112.8 | I193 H196 Q232 N233 F234 L238 A239 V240 | I193-E236 HydrophobicContact CG2-CB 4.21Å; H196-E236 IonicContact CE1-OE1 3.72Å; H196-E236 PolarHBondContact CE1-OE1 3.47Å; H196-E236 IonicContact CE1-OE2 3.98Å; H196-E236 IonicContact CG-OE2 3.07Å; H196-E236 VanDerWaalsContact ND1-CD 3.26Å; H196-E236 IonicContact ND1-OE1 2.8Å; H196-E236 PolarHBondContact ND1-OE1 2.68Å; H196-E236 VanDerWaalsContact ND1-OE1 3.07Å; H196-E236 IonicContact ND1-OE2 2.91Å; H196-E236 PolarHBondContact ND1-OE2 2.89Å; Q232-E236 PolarHBondContact NE2-OE1 2.85Å; Q232-E236 PolarHBondContact O-N 3.41Å; Q232-E236 PolarHBondContact OE1-OE1 3.41Å; N233-E236 PolarHBondContact O-N 3.31Å; F234-E236 VanDerWaalsContact C-N 3.26Å; F234-E236 PolarHBondContact O-N 3.14Å; E236-L238 PolarHBondContact O-N 3.42Å; E236-A239 WeakPolarHBondContact O-CA 3.36Å; E236-A239 WeakPolarHBondContact O-CB 3.49Å; E236-A239 PolarHBondContact O-N 2.87Å; E236-V240 PolarHBondContact O-N 3.34Å |
| 237 | G | 94.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -58 | -37.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | T22 S26 N233 F234 S241 | T22-G237 WeakPolarHBondContact O-CA 3.12Å; S26-G237 WeakPolarHBondContact CA-O 3.18Å; S26-G237 WeakPolarHBondContact OG-CA 3.41Å; S26-G237 PolarHBondContact OG-O 3.13Å; N233-G237 PolarHBondContact O-N 3.21Å; F234-G237 PolarHBondContact O-N 3.42Å; G237-S241 WeakPolarHBondContact O-CB 3.43Å; G237-S241 PolarHBondContact O-N 2.93Å; G237-S241 PolarHBondContact O-OG 3.2Å |
| 238 | L | 94.2 | Very high | 92.5 | Very high | 4 Ų | 4 | 18.8 Ų | 18.8 | 2% | 0.021 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -69 | -41 | 172.4 | 179.5 | 66.4 | 0 | 0 | 0 | 111.9 | G25 F28 C29 I32 I43 F234 P235 E236 V240 S241 L242 | G25-L238 WeakPolarHBondContact O-CA 3.34Å; F28-L238 HydrophobicContact CB-CD1 4.27Å; C29-L238 HydrophobicContact CB-CD1 4.35Å; I32-L238 HydrophobicContact CD1-CD1 3.59Å; I32-L238 HydrophobicContact CD1-CD2 3.56Å; I32-L238 HydrophobicContact CD1-CG 4.22Å; I43-L238 HydrophobicContact CG2-CD2 3.75Å; F234-L238 PolarHBondContact O-N 3.31Å; F234-L238 VanDerWaalsContact O-N 3.12Å; P235-L238 WeakPolarHBondContact O-CB 3.45Å; P235-L238 PolarHBondContact O-N 2.9Å; E236-L238 PolarHBondContact O-N 3.42Å; L238-V240 VanDerWaalsContact C-N 3.29Å; L238-V240 PolarHBondContact O-N 3.36Å; L238-S241 WeakPolarHBondContact CA-OG 3.3Å; L238-S241 PolarHBondContact O-N 3.37Å; L238-S241 PolarHBondContact O-OG 2.82Å; L238-L242 HydrophobicContact CD1-CB 3.95Å; L238-L242 HydrophobicContact CD1-CD2 4.33Å; L238-L242 HydrophobicContact CG-CB 4.39Å; L238-L242 WeakPolarHBondContact O-CB 3.39Å; L238-L242 PolarHBondContact O-N 3.04Å |
| 239 | A | 92 | Very high | 92.1 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.3 | -31.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L44 L48 I193 P235 E236 P243 | L44-A239 VanDerWaalsContact CD1-CA 3.45Å; L44-A239 HydrophobicContact CD1-CB 3.48Å; L44-A239 VanDerWaalsContact CD1-CB 3.48Å; L48-A239 HydrophobicContact CD2-CB 3.79Å; L48-A239 HydrophobicContact CG-CB 4.3Å; I193-A239 HydrophobicContact CD1-CB 4.04Å; P235-A239 WeakPolarHBondContact O-CB 3.43Å; P235-A239 PolarHBondContact O-N 2.94Å; E236-A239 WeakPolarHBondContact O-CA 3.36Å; E236-A239 WeakPolarHBondContact O-CB 3.49Å; E236-A239 PolarHBondContact O-N 2.87Å; A239-P243 WeakPolarHBondContact O-CD 3.48Å; A239-P243 VanDerWaalsContact O-CG 3.23Å; A239-P243 WeakPolarHBondContact O-CG 3.26Å |
| 240 | V | 92.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -77.1 | -49.2 | 173.1 | 174.8 | 0 | 0 | 0 | 0 | 111.8 | I190 I193 E236 L238 L244 | I190-V240 HydrophobicContact CG1-CG1 3.85Å; I193-V240 HydrophobicContact CB-CG2 3.86Å; I193-V240 HydrophobicContact CD1-CG2 3.45Å; I193-V240 VanDerWaalsContact CD1-CG2 3.45Å; I193-V240 HydrophobicContact CG1-CG2 4.23Å; I193-V240 HydrophobicContact CG2-CG2 3.66Å; E236-V240 PolarHBondContact O-N 3.34Å; L238-V240 VanDerWaalsContact C-N 3.29Å; L238-V240 PolarHBondContact O-N 3.36Å; V240-L244 HydrophobicContact CG1-CD1 4.29Å |
| 241 | S | 93.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -77.5 | -36.1 | -169.1 | 57.9 | 0 | 0 | 0 | 0 | 113.6 | S26 C29 G237 L238 L244 Y245 S254 | S26-S241 WeakPolarHBondContact CA-OG 3.44Å; S26-S241 PolarHBondContact O-OG 3.49Å; C29-S241 WeakPolarHBondContact CB-OG 3.15Å; G237-S241 WeakPolarHBondContact O-CB 3.43Å; G237-S241 PolarHBondContact O-N 2.93Å; G237-S241 PolarHBondContact O-OG 3.2Å; L238-S241 WeakPolarHBondContact CA-OG 3.3Å; L238-S241 PolarHBondContact O-N 3.37Å; L238-S241 PolarHBondContact O-OG 2.82Å; S241-L244 PolarHBondContact O-N 3.43Å; S241-Y245 WeakPolarHBondContact O-CB 3.4Å; S241-Y245 PolarHBondContact O-N 2.98Å; S241-S254 VanDerWaalsContact CB-O 3.28Å; S241-S254 WeakPolarHBondContact CB-O 3.35Å |
| 242 | L | 92.2 | Very high | 91.4 | Very high | 4 Ų | 4 | 27.6 Ų | 27.6 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.4 | -42.9 | -176 | -179.9 | 65.7 | 0 | 0 | 0 | 113.8 | C29 I32 K40 L238 S246 | C29-L242 HydrophobicContact CB-CB 4.22Å; C29-L242 HydrophobicContact CB-CD1 4.47Å; I32-L242 HydrophobicContact CB-CD1 4.08Å; I32-L242 HydrophobicContact CB-CD2 4.5Å; I32-L242 HydrophobicContact CG2-CD1 3.84Å; I32-L242 HydrophobicContact CG2-CD2 3.66Å; I32-L242 HydrophobicContact CG2-CG 4.43Å; K40-L242 HydrophobicContact CB-CD2 4.47Å; K40-L242 HydrophobicContact CD-CD1 4.42Å; L238-L242 HydrophobicContact CD1-CB 3.95Å; L238-L242 HydrophobicContact CD1-CD2 4.33Å; L238-L242 HydrophobicContact CG-CB 4.39Å; L238-L242 WeakPolarHBondContact O-CB 3.39Å; L238-L242 PolarHBondContact O-N 3.04Å; L242-S246 VanDerWaalsContact O-CB 3.23Å; L242-S246 WeakPolarHBondContact O-CB 3.11Å; L242-S246 PolarHBondContact O-N 3.47Å; L242-S246 PolarHBondContact O-OG 3.45Å |
| 243 | P | 87.9 | Confident | 91.2 | Very high | 31 Ų | 31 | 29 Ų | 29 | 20% | 0.201 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -67 | -37.8 | 174.4 | -23.5 | 36.5 | 0 | 0 | 0 | 113.1 | L44 L186 L189 A239 S246 A247 | L44-P243 HydrophobicContact CD2-CG 4.08Å; L186-P243 HydrophobicContact CD1-CB 3.67Å; L186-P243 HydrophobicContact CD1-CG 4.48Å; L189-P243 HydrophobicContact CD2-CG 4.28Å; A239-P243 WeakPolarHBondContact O-CD 3.48Å; A239-P243 VanDerWaalsContact O-CG 3.23Å; A239-P243 WeakPolarHBondContact O-CG 3.26Å; P243-S246 PolarHBondContact O-N 3.49Å; P243-A247 WeakPolarHBondContact O-CB 3.29Å; P243-A247 PolarHBondContact O-N 3.38Å |
| 244 | L | 89.5 | Confident | 91 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.8 | -52.7 | 172.4 | -79.2 | 166 | 0 | 0 | 0 | 110.3 | I182 L186 I190 V240 S241 S246 A247 Y249 Y257 | I182-L244 HydrophobicContact CD1-CD2 4.11Å; I182-L244 HydrophobicContact CG1-CD2 4.17Å; L186-L244 HydrophobicContact CD1-CG 4.18Å; L186-L244 HydrophobicContact CD2-CB 4.39Å; L186-L244 HydrophobicContact CD2-CD2 3.43Å; L186-L244 VanDerWaalsContact CD2-CD2 3.43Å; L186-L244 HydrophobicContact CD2-CG 3.73Å; L186-L244 HydrophobicContact CG-CD2 3.98Å; L186-L244 HydrophobicContact CG-CG 4.12Å; I190-L244 HydrophobicContact CD1-CD1 4Å; I190-L244 HydrophobicContact CD1-CD2 4.29Å; I190-L244 HydrophobicContact CD1-CG 4.37Å; V240-L244 HydrophobicContact CG1-CD1 4.29Å; S241-L244 PolarHBondContact O-N 3.43Å; L244-S246 VanDerWaalsContact C-N 3.29Å; L244-S246 PolarHBondContact O-N 3.34Å; L244-A247 WeakPolarHBondContact O-CB 3.25Å; L244-A247 PolarHBondContact O-N 3.04Å; L244-Y249 HydrophobicContact CB-CD2 4.44Å; L244-Y249 HydrophobicContact CD2-CD2 3.88Å; L244-Y249 HydrophobicContact CD2-CE2 4.18Å; L244-Y249 HydrophobicContact CD2-CG 4.25Å; L244-Y249 WeakPolarHBondContact O-CB 3.31Å; L244-Y249 VanDerWaalsContact O-CD2 3.27Å; L244-Y249 WeakPolarHBondContact O-CD2 3.5Å; L244-Y249 PolarHBondContact O-N 3.29Å; L244-Y257 HydrophobicContact CD1-CD2 4.01Å; L244-Y257 HydrophobicContact CD1-CG 3.83Å |
| 245 | Y | 90.7 | Very high | 90.9 | Very high | 55 Ų | 55 | 28.4 Ų | 28.4 | 22% | 0.216 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.9 | -39.6 | -178.9 | -169 | -88.8 | 0 | 0 | 0 | 111.6 | F30 S33 S241 A247 G248 F251 S254 | F30-Y245 HydrophobicContact CD2-CE2 4.22Å; F30-Y245 AromaticContact CD2-CZ 3.81Å; F30-Y245 VanDerWaalsContact CD2-OH 3.29Å; F30-Y245 WeakPolarHBondContact CD2-OH 3.39Å; F30-Y245 WeakPolarHBondContact CE2-OH 2.99Å; S33-Y245 WeakPolarHBondContact OG-CD1 3.36Å; S33-Y245 WeakPolarHBondContact OG-CE1 3.39Å; S241-Y245 WeakPolarHBondContact O-CB 3.4Å; S241-Y245 PolarHBondContact O-N 2.98Å; Y245-A247 VanDerWaalsContact C-N 3.26Å; Y245-A247 PolarHBondContact O-N 2.89Å; Y245-G248 PolarHBondContact O-N 3.49Å; Y245-G248 VanDerWaalsContact O-N 3.07Å; Y245-F251 HydrophobicContact CD2-CB 4.43Å; Y245-F251 HydrophobicContact CE2-CB 3.93Å; Y245-S254 VanDerWaalsContact CA-OG 3.23Å; Y245-S254 WeakPolarHBondContact CA-OG 3.29Å; Y245-S254 WeakPolarHBondContact CB-OG 3.23Å; Y245-S254 PolarHBondContact N-OG 2.95Å |
| 246 | S | 86.8 | Confident | 90.9 | Very high | 56 Ų | 56 | 34.5 Ų | 34.5 | 39% | 0.392 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -66.9 | -23.4 | 175.6 | -66 | 0 | 0 | 0 | 0 | 113.8 | K40 L242 P243 L244 G248 | K40-S246 PolarHBondContact NZ-OG 3.25Å; L242-S246 VanDerWaalsContact O-CB 3.23Å; L242-S246 WeakPolarHBondContact O-CB 3.11Å; L242-S246 PolarHBondContact O-N 3.47Å; L242-S246 PolarHBondContact O-OG 3.45Å; P243-S246 PolarHBondContact O-N 3.49Å; L244-S246 VanDerWaalsContact C-N 3.29Å; L244-S246 PolarHBondContact O-N 3.34Å; S246-G248 PolarHBondContact O-N 3.09Å |
| 247 | A | 85.8 | Confident | 90.8 | Very high | 59 Ų | 59 | 37.2 Ų | 37.2 | 49% | 0.488 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 1.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | P243 L244 Y245 Y249 | P243-A247 WeakPolarHBondContact O-CB 3.29Å; P243-A247 PolarHBondContact O-N 3.38Å; L244-A247 WeakPolarHBondContact O-CB 3.25Å; L244-A247 PolarHBondContact O-N 3.04Å; Y245-A247 VanDerWaalsContact C-N 3.26Å; Y245-A247 PolarHBondContact O-N 2.89Å; A247-Y249 HydrophobicContact CB-CD2 3.98Å; A247-Y249 HydrophobicContact CB-CE2 4.02Å |
| 248 | G | 85.4 | Confident | 90.7 | Very high | 49 Ų | 49 | 37.2 Ų | 37.2 | 51% | 0.505 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 95.8 | 2.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | M180 Y245 S246 | M180-G248 VanDerWaalsContact SD-O 3.32Å; Y245-G248 PolarHBondContact O-N 3.49Å; Y245-G248 VanDerWaalsContact O-N 3.07Å; S246-G248 PolarHBondContact O-N 3.09Å |
| 249 | Y | 85.7 | Confident | 90.7 | Very high | 5 Ų | 5 | 37.6 Ų | 37.6 | 2% | 0.02 | 21% | 0.205 | C | C | . | . | trans | -65.6 | 138.7 | 172.9 | -68.5 | -85.8 | 0 | 0 | 0 | 110.2 | M180 V181 I182 L244 A247 I253 S254 | M180-Y249 HydrophobicContact CB-CE1 3.91Å; M180-Y249 HydrophobicContact CE-CD1 4.21Å; M180-Y249 HydrophobicContact CE-CE1 4.38Å; M180-Y249 PolarHBondContact O-OH 3.46Å; V181-Y249 WeakPolarHBondContact CA-OH 3.32Å; V181-Y249 PolarHBondContact N-OH 2.8Å; V181-Y249 PolarHBondContact O-OH 2.83Å; I182-Y249 WeakPolarHBondContact CA-OH 3.13Å; I182-Y249 HydrophobicContact CD1-CE1 4.5Å; I182-Y249 HydrophobicContact CG1-CE1 3.89Å; I182-Y249 HydrophobicContact CG1-CE2 3.92Å; I182-Y249 WeakPolarHBondContact CG1-OH 3.42Å; I182-Y249 PolarHBondContact N-OH 3.48Å; L244-Y249 HydrophobicContact CB-CD2 4.44Å; L244-Y249 HydrophobicContact CD2-CD2 3.88Å; L244-Y249 HydrophobicContact CD2-CE2 4.18Å; L244-Y249 HydrophobicContact CD2-CG 4.25Å; L244-Y249 WeakPolarHBondContact O-CB 3.31Å; L244-Y249 VanDerWaalsContact O-CD2 3.27Å; L244-Y249 WeakPolarHBondContact O-CD2 3.5Å; L244-Y249 PolarHBondContact O-N 3.29Å; A247-Y249 HydrophobicContact CB-CD2 3.98Å; A247-Y249 HydrophobicContact CB-CE2 4.02Å; Y249-I253 HydrophobicContact CD1-CG2 4.03Å; Y249-I253 HydrophobicContact CG-CG2 4.46Å; Y249-S254 PolarHBondContact O-OG 3.11Å | ||
| 250 | G | 89.9 | Confident | 90.7 | Very high | 38 Ų | 38 | 41.2 Ų | 41.2 | 39% | 0.392 | 22% | 0.224 | S | C | . | . | trans | -56 | 156.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | F252 I253 S254 | G250-F252 VanDerWaalsContact C-N 3.31Å; G250-F252 PolarHBondContact O-N 3.46Å; G250-I253 PolarHBondContact O-N 3.38Å; G250-I253 VanDerWaalsContact O-N 3.16Å; G250-S254 PolarHBondContact O-N 3.13Å; G250-S254 VanDerWaalsContact O-N 3.12Å; G250-S254 PolarHBondContact O-OG 2.85Å | ||
| 251 | F | 91.6 | Very high | 90.7 | Very high | 61 Ų | 61 | 41.2 Ų | 41.2 | 27% | 0.268 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -49.9 | -51.1 | -179.5 | 171.6 | -107.7 | 0 | 0 | 0 | 112.4 | V27 F30 Y245 I253 S254 F255 | V27-F251 HydrophobicContact CG1-CZ 4.38Å; F30-F251 HydrophobicContact CB-CD2 3.81Å; F30-F251 HydrophobicContact CB-CE2 3.91Å; F30-F251 HydrophobicContact CD2-CD2 4.42Å; F30-F251 HydrophobicContact CG-CD2 4.4Å; Y245-F251 HydrophobicContact CD2-CB 4.43Å; Y245-F251 HydrophobicContact CE2-CB 3.93Å; F251-I253 VanDerWaalsContact C-N 3.31Å; F251-I253 PolarHBondContact O-N 3.02Å; F251-S254 PolarHBondContact O-N 3.03Å; F251-F255 HydrophobicContact CZ-CB 4.42Å; F251-F255 VanDerWaalsContact O-CB 3.32Å; F251-F255 WeakPolarHBondContact O-CB 3.39Å; F251-F255 PolarHBondContact O-N 2.94Å |
| 252 | F | 92.7 | Very high | 90.7 | Very high | 149 Ų | 149 | 41.2 Ų | 41.2 | 65% | 0.654 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -61.1 | -39.1 | -177 | -70.9 | -72.5 | 0 | 0 | 0 | 112.7 | G250 F255 W256 | G250-F252 VanDerWaalsContact C-N 3.31Å; G250-F252 PolarHBondContact O-N 3.46Å; F252-F255 PolarHBondContact O-N 3.12Å; F252-W256 VanDerWaalsContact O-CB 3.29Å; F252-W256 WeakPolarHBondContact O-CB 3.23Å; F252-W256 PolarHBondContact O-N 3.25Å |
| 253 | I | 90.6 | Very high | 90.8 | Very high | 31 Ų | 31 | 43.9 Ų | 43.9 | 16% | 0.159 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.5 | -49.8 | 179.9 | -63.2 | 167.3 | 0 | 0 | 0 | 109.5 | L115 Y249 G250 F251 F255 W256 Y257 | L115-I253 HydrophobicContact CD1-CD1 3.2Å; L115-I253 HydrophobicContact CD2-CD1 3.55Å; L115-I253 HydrophobicContact CD2-CG1 4.38Å; L115-I253 HydrophobicContact CG-CD1 3.93Å; Y249-I253 HydrophobicContact CD1-CG2 4.03Å; Y249-I253 HydrophobicContact CG-CG2 4.46Å; G250-I253 PolarHBondContact O-N 3.38Å; G250-I253 VanDerWaalsContact O-N 3.16Å; F251-I253 VanDerWaalsContact C-N 3.31Å; F251-I253 PolarHBondContact O-N 3.02Å; I253-F255 VanDerWaalsContact C-N 3.3Å; I253-F255 PolarHBondContact O-N 2.85Å; I253-W256 PolarHBondContact O-N 3.47Å; I253-Y257 HydrophobicContact CG2-CD2 3.72Å; I253-Y257 HydrophobicContact CG2-CE2 3.69Å; I253-Y257 VanDerWaalsContact O-CD2 3.28Å; I253-Y257 WeakPolarHBondContact O-CD2 3.29Å; I253-Y257 PolarHBondContact O-N 2.81Å |
| 254 | S | 92.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.9 | -42.6 | 178.7 | -56.3 | 0 | 0 | 0 | 0 | 112.1 | S241 Y245 Y249 G250 F251 G258 | S241-S254 VanDerWaalsContact CB-O 3.28Å; S241-S254 WeakPolarHBondContact CB-O 3.35Å; Y245-S254 VanDerWaalsContact CA-OG 3.23Å; Y245-S254 WeakPolarHBondContact CA-OG 3.29Å; Y245-S254 WeakPolarHBondContact CB-OG 3.23Å; Y245-S254 PolarHBondContact N-OG 2.95Å; Y249-S254 PolarHBondContact O-OG 3.11Å; G250-S254 PolarHBondContact O-N 3.13Å; G250-S254 VanDerWaalsContact O-N 3.12Å; G250-S254 PolarHBondContact O-OG 2.85Å; F251-S254 PolarHBondContact O-N 3.03Å; S254-G258 PolarHBondContact O-N 3.47Å |
| 255 | F | 94.7 | Very high | 91.5 | Very high | 46 Ų | 46 | 44.1 Ų | 44.1 | 20% | 0.202 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.8 | -47.9 | 174.2 | 168.2 | -102.2 | 0 | 0 | 0 | 112.3 | A23 V27 F251 F252 I253 Y257 G258 Q259 | A23-F255 HydrophobicContact CB-CE2 4.29Å; V27-F255 HydrophobicContact CG2-CD2 3.73Å; V27-F255 HydrophobicContact CG2-CE2 3.66Å; F251-F255 HydrophobicContact CZ-CB 4.42Å; F251-F255 VanDerWaalsContact O-CB 3.32Å; F251-F255 WeakPolarHBondContact O-CB 3.39Å; F251-F255 PolarHBondContact O-N 2.94Å; F252-F255 PolarHBondContact O-N 3.12Å; I253-F255 VanDerWaalsContact C-N 3.3Å; I253-F255 PolarHBondContact O-N 2.85Å; F255-Y257 PolarHBondContact O-N 3.1Å; F255-G258 PolarHBondContact O-N 3.15Å; F255-Q259 HydrophobicContact CE1-CG 4.13Å; F255-Q259 HydrophobicContact CE2-CB 4.45Å; F255-Q259 HydrophobicContact CZ-CB 4.41Å; F255-Q259 HydrophobicContact CZ-CG 4.1Å; F255-Q259 WeakPolarHBondContact O-CG 3.37Å; F255-Q259 PolarHBondContact O-N 3.32Å |
| 256 | W | 92.9 | Very high | 91.8 | Very high | 137 Ų | 137 | 42.5 Ų | 42.5 | 52% | 0.519 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.5 | -45.9 | -179.2 | -90.1 | 108 | 0 | 0 | 0 | 111.7 | F252 I253 G258 Q259 L260 | F252-W256 VanDerWaalsContact O-CB 3.29Å; F252-W256 WeakPolarHBondContact O-CB 3.23Å; F252-W256 PolarHBondContact O-N 3.25Å; I253-W256 PolarHBondContact O-N 3.47Å; W256-G258 VanDerWaalsContact C-N 3.31Å; W256-G258 PolarHBondContact O-N 3.19Å; W256-Q259 PolarHBondContact O-N 3.43Å; W256-L260 HydrophobicContact CE3-CD1 4.18Å; W256-L260 HydrophobicContact CE3-CD2 4.38Å; W256-L260 HydrophobicContact CE3-CG 4.1Å; W256-L260 WeakPolarHBondContact O-CB 3.33Å; W256-L260 WeakPolarHBondContact O-CD1 3.47Å; W256-L260 WeakPolarHBondContact O-CG 3.24Å; W256-L260 PolarHBondContact O-N 3.14Å |
| 257 | Y | 91.2 | Very high | 92.2 | Very high | 56 Ų | 56 | 46.3 Ų | 46.3 | 22% | 0.22 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.2 | -37.7 | 176.2 | -83.7 | -77.9 | 0 | 0 | 0 | 112.7 | I182 W187 I190 L244 I253 F255 S261 | I182-Y257 HydrophobicContact CD1-CE2 4.35Å; W187-Y257 AromaticContact CH2-CE1 3.59Å; W187-Y257 HydrophobicContact CH2-CE1 3.59Å; W187-Y257 AromaticContact CH2-CZ 3.95Å; W187-Y257 HydrophobicContact CZ2-CE1 4.47Å; W187-Y257 AromaticContact CZ3-CE1 3.86Å; W187-Y257 HydrophobicContact CZ3-CE1 3.86Å; I190-Y257 HydrophobicContact CD1-CD1 4.14Å; I190-Y257 HydrophobicContact CG2-CD1 4.22Å; L244-Y257 HydrophobicContact CD1-CD2 4.01Å; L244-Y257 HydrophobicContact CD1-CG 3.83Å; I253-Y257 HydrophobicContact CG2-CD2 3.72Å; I253-Y257 HydrophobicContact CG2-CE2 3.69Å; I253-Y257 VanDerWaalsContact O-CD2 3.28Å; I253-Y257 WeakPolarHBondContact O-CD2 3.29Å; I253-Y257 PolarHBondContact O-N 2.81Å; F255-Y257 PolarHBondContact O-N 3.1Å; Y257-S261 PolarHBondContact O-N 3.12Å |
| 258 | G | 92.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -69.9 | -38 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | T22 S26 S254 F255 W256 S261 | T22-G258 WeakPolarHBondContact CG2-O 3.45Å; S26-G258 WeakPolarHBondContact OG-CA 3.02Å; S254-G258 PolarHBondContact O-N 3.47Å; F255-G258 PolarHBondContact O-N 3.15Å; W256-G258 VanDerWaalsContact C-N 3.31Å; W256-G258 PolarHBondContact O-N 3.19Å; G258-S261 PolarHBondContact O-OG 3.06Å |
| 259 | Q | 93.5 | Very high | 93.3 | Very high | 13 Ų | 13 | 41.5 Ų | 41.5 | 6% | 0.061 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -81.1 | -30.2 | 176.6 | 74.9 | 91 | -4.9 | 0 | 0 | 112.3 | W19 A23 S26 F255 W256 S261 G262 L263 | W19-Q259 VanDerWaalsContact CZ2-OE1 3.25Å; W19-Q259 PolarHBondContact NE1-O 3.32Å; W19-Q259 VanDerWaalsContact NE1-O 3.11Å; W19-Q259 VanDerWaalsContact NE1-OE1 3.09Å; A23-Q259 HydrophobicContact CB-CB 3.86Å; S26-Q259 PolarHBondContact OG-N 3.21Å; F255-Q259 HydrophobicContact CE1-CG 4.13Å; F255-Q259 HydrophobicContact CE2-CB 4.45Å; F255-Q259 HydrophobicContact CZ-CB 4.41Å; F255-Q259 HydrophobicContact CZ-CG 4.1Å; F255-Q259 WeakPolarHBondContact O-CG 3.37Å; F255-Q259 PolarHBondContact O-N 3.32Å; W256-Q259 PolarHBondContact O-N 3.43Å; Q259-S261 VanDerWaalsContact C-N 3.27Å; Q259-S261 PolarHBondContact O-N 2.92Å; Q259-G262 PolarHBondContact O-N 3.27Å; Q259-L263 PolarHBondContact O-N 3.49Å; Q259-L263 VanDerWaalsContact O-N 3.15Å |
| 260 | L | 92.6 | Very high | 93.8 | Very high | 75 Ų | 75 | 43.7 Ų | 43.7 | 39% | 0.393 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -65.4 | -29.8 | 174.8 | -77.3 | 171 | 0 | 0 | 0 | 112.4 | W256 G262 L263 | W256-L260 HydrophobicContact CE3-CD1 4.18Å; W256-L260 HydrophobicContact CE3-CD2 4.38Å; W256-L260 HydrophobicContact CE3-CG 4.1Å; W256-L260 WeakPolarHBondContact O-CB 3.33Å; W256-L260 WeakPolarHBondContact O-CD1 3.47Å; W256-L260 WeakPolarHBondContact O-CG 3.24Å; W256-L260 PolarHBondContact O-N 3.14Å; L260-G262 VanDerWaalsContact C-N 3.3Å; L260-G262 PolarHBondContact O-N 2.87Å; L260-L263 HydrophobicContact CD2-CD2 3.8Å; L260-L263 WeakPolarHBondContact O-CB 3.5Å; L260-L263 PolarHBondContact O-N 3.22Å |
| 261 | S | 92.4 | Very high | 94 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.007 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.4 | -34.6 | 175.7 | 64.2 | 0 | 0 | 0 | 0 | 112.3 | T194 N197 Y257 G258 Q259 V264 | T194-S261 WeakPolarHBondContact OG1-CB 3.44Å; N197-S261 WeakPolarHBondContact CB-O 3.37Å; N197-S261 PolarHBondContact ND2-O 3.47Å; Y257-S261 PolarHBondContact O-N 3.12Å; G258-S261 PolarHBondContact O-OG 3.06Å; Q259-S261 VanDerWaalsContact C-N 3.27Å; Q259-S261 PolarHBondContact O-N 2.92Å; S261-V264 WeakPolarHBondContact O-CG2 3.48Å |
| 262 | G | 94.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -84.6 | -11 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | W19 Q259 L260 V264 E265 | W19-G262 VanDerWaalsContact CD1-C 3.4Å; Q259-G262 PolarHBondContact O-N 3.27Å; L260-G262 VanDerWaalsContact C-N 3.3Å; L260-G262 PolarHBondContact O-N 2.87Å; G262-V264 PolarHBondContact O-N 2.93Å; G262-V264 VanDerWaalsContact O-N 3.07Å; G262-E265 WeakPolarHBondContact CA-OE1 3.18Å; G262-E265 WeakPolarHBondContact O-CB 3.38Å; G262-E265 WeakPolarHBondContact O-CG 3.31Å; G262-E265 PolarHBondContact O-N 2.77Å |
| 263 | L | 94.7 | Very high | 94.2 | Very high | 59 Ų | 59 | 36.7 Ų | 36.7 | 31% | 0.309 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -17.6 | -178 | -176.1 | 61.2 | 0 | 0 | 0 | 112.4 | W19 Q259 L260 E265 P266 F267 | W19-L263 HydrophobicContact CZ2-CD1 4.08Å; Q259-L263 PolarHBondContact O-N 3.49Å; Q259-L263 VanDerWaalsContact O-N 3.15Å; L260-L263 HydrophobicContact CD2-CD2 3.8Å; L260-L263 WeakPolarHBondContact O-CB 3.5Å; L260-L263 PolarHBondContact O-N 3.22Å; L263-E265 VanDerWaalsContact C-N 3.29Å; L263-P266 WeakPolarHBondContact O-CD 3.42Å; L263-F267 HydrophobicContact CD1-CE2 4.39Å; L263-F267 HydrophobicContact CG-CE2 4.18Å; L263-F267 WeakPolarHBondContact O-CD2 3.2Å; L263-F267 WeakPolarHBondContact O-CE2 3.08Å |
| 264 | V | 94.7 | Very high | 94.3 | Very high | 37 Ų | 37 | 38.9 Ų | 38.9 | 22% | 0.224 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -71.5 | -22.4 | 175.8 | -58.6 | 0 | 0 | 0 | 0 | 113 | T194 N197 I198 S261 G262 F267 A268 | T194-V264 HydrophobicContact CG2-CG1 3.8Å; T194-V264 WeakPolarHBondContact O-CG2 3.44Å; N197-V264 HydrophobicContact CB-CG2 3.44Å; N197-V264 VanDerWaalsContact CB-CG2 3.44Å; I198-V264 HydrophobicContact CG1-CB 4.15Å; I198-V264 HydrophobicContact CG1-CG2 3.88Å; S261-V264 WeakPolarHBondContact O-CG2 3.48Å; G262-V264 PolarHBondContact O-N 2.93Å; G262-V264 VanDerWaalsContact O-N 3.07Å; V264-F267 PolarHBondContact O-N 3.47Å; V264-A268 WeakPolarHBondContact O-CB 3.41Å; V264-A268 PolarHBondContact O-N 3.33Å |
| 265 | E | 96.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.5 | -46.9 | -173.7 | -50.6 | 159.9 | -140.5 | 0 | 0 | 112 | T18 W19 T22 N197 G201 N233 G262 L263 F267 A268 G269 | T18-E265 VanDerWaalsContact C-OE2 3.31Å; T18-E265 WeakPolarHBondContact CB-OE2 3.23Å; T18-E265 PolarHBondContact OG1-OE2 3.21Å; W19-E265 PolarHBondContact N-OE2 3.28Å; W19-E265 VanDerWaalsContact N-OE2 3.1Å; T22-E265 PolarHBondContact OG1-OE1 3.07Å; T22-E265 VanDerWaalsContact OG1-OE1 3.1Å; N197-E265 HydrophobicContact CB-CG 3.69Å; N197-E265 WeakPolarHBondContact O-CG 3.16Å; N197-E265 PolarHBondContact OD1-OE1 2.92Å; G201-E265 VanDerWaalsContact CA-O 3.29Å; G201-E265 WeakPolarHBondContact CA-O 3.38Å; N233-E265 PolarHBondContact ND2-OE1 3.26Å; N233-E265 PolarHBondContact ND2-OE2 3.47Å; G262-E265 WeakPolarHBondContact CA-OE1 3.18Å; G262-E265 WeakPolarHBondContact O-CB 3.38Å; G262-E265 WeakPolarHBondContact O-CG 3.31Å; G262-E265 PolarHBondContact O-N 2.77Å; L263-E265 VanDerWaalsContact C-N 3.29Å; E265-F267 VanDerWaalsContact C-N 3.32Å; E265-F267 PolarHBondContact O-N 3.41Å; E265-A268 PolarHBondContact O-N 2.99Å; E265-G269 PolarHBondContact O-N 3.39Å |
| 266 | P | 96.7 | Very high | 94.1 | Very high | 21 Ų | 21 | 38.2 Ų | 38.2 | 14% | 0.136 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.3 | -36.1 | 176.4 | -23.5 | 36 | 0 | 0 | 0 | 114 | T15 W19 L263 L270 | T15-P266 WeakPolarHBondContact OG1-CA 3.46Å; W19-P266 HydrophobicContact CB-CG 4.3Å; L263-P266 WeakPolarHBondContact O-CD 3.42Å; P266-L270 WeakPolarHBondContact O-CB 3.15Å; P266-L270 VanDerWaalsContact O-CG 3.3Å; P266-L270 WeakPolarHBondContact O-CG 3.37Å; P266-L270 PolarHBondContact O-N 3.33Å |
| 267 | F | 96.5 | Very high | 93.8 | Very high | 136 Ų | 136 | 35.4 Ų | 35.4 | 60% | 0.596 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -69.3 | -49.3 | 177.1 | -65.1 | -80.7 | 0 | 0 | 0 | 111.2 | L263 V264 E265 G269 L270 I271 | L263-F267 HydrophobicContact CD1-CE2 4.39Å; L263-F267 HydrophobicContact CG-CE2 4.18Å; L263-F267 WeakPolarHBondContact O-CD2 3.2Å; L263-F267 WeakPolarHBondContact O-CE2 3.08Å; V264-F267 PolarHBondContact O-N 3.47Å; E265-F267 VanDerWaalsContact C-N 3.32Å; E265-F267 PolarHBondContact O-N 3.41Å; F267-G269 VanDerWaalsContact C-N 3.31Å; F267-G269 PolarHBondContact O-N 3.14Å; F267-L270 PolarHBondContact O-N 3.27Å; F267-I271 VanDerWaalsContact O-CG1 3.29Å; F267-I271 WeakPolarHBondContact O-CG1 3.36Å; F267-I271 PolarHBondContact O-N 2.87Å; F267-I271 VanDerWaalsContact O-N 3.08Å |
| 268 | A | 95.7 | Very high | 93.4 | Very high | 6 Ų | 6 | 39.4 Ų | 39.4 | 5% | 0.05 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.4 | -40.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | I198 F202 V264 E265 I271 G272 | I198-A268 HydrophobicContact CG2-CB 4.1Å; I198-A268 WeakPolarHBondContact O-CB 3.44Å; F202-A268 HydrophobicContact CD1-CB 4.43Å; F202-A268 WeakPolarHBondContact CD1-O 3.26Å; F202-A268 HydrophobicContact CE1-CB 4.46Å; F202-A268 WeakPolarHBondContact CE1-O 3.45Å; F202-A268 HydrophobicContact CG-CB 4.44Å; V264-A268 WeakPolarHBondContact O-CB 3.41Å; V264-A268 PolarHBondContact O-N 3.33Å; E265-A268 PolarHBondContact O-N 2.99Å; A268-I271 PolarHBondContact O-N 3.03Å; A268-G272 PolarHBondContact O-N 3.39Å |
| 269 | G | 97 | Very high | 93.1 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.8 | -40.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | T11 G201 G205 E265 F267 I271 G272 C273 | T11-G269 WeakPolarHBondContact CG2-O 3.37Å; G201-G269 VanDerWaalsContact C-CA 3.44Å; G201-G269 WeakPolarHBondContact O-CA 3.28Å; G201-G269 PolarHBondContact O-N 2.88Å; G205-G269 WeakPolarHBondContact CA-O 3.33Å; E265-G269 PolarHBondContact O-N 3.39Å; F267-G269 VanDerWaalsContact C-N 3.31Å; F267-G269 PolarHBondContact O-N 3.14Å; G269-I271 VanDerWaalsContact C-N 3.29Å; G269-I271 PolarHBondContact O-N 3.24Å; G269-G272 PolarHBondContact O-N 3.49Å; G269-C273 VanDerWaalsContact O-CB 3.28Å; G269-C273 WeakPolarHBondContact O-CB 3.41Å; G269-C273 PolarHBondContact O-N 3.22Å |
| 270 | L | 96.4 | Very high | 92.5 | Very high | 52 Ų | 52 | 51.6 Ų | 51.6 | 27% | 0.272 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -59.6 | -42.1 | 171.3 | -76.9 | 178 | 0 | 0 | 0 | 111.8 | T11 L12 P266 F267 C273 L274 | T11-L270 HydrophobicContact CG2-CD2 4.37Å; L12-L270 HydrophobicContact CD2-CD1 3.88Å; L12-L270 HydrophobicContact CD2-CD2 3.91Å; L12-L270 HydrophobicContact CD2-CG 3.98Å; L12-L270 HydrophobicContact CG-CD2 3.92Å; P266-L270 WeakPolarHBondContact O-CB 3.15Å; P266-L270 VanDerWaalsContact O-CG 3.3Å; P266-L270 WeakPolarHBondContact O-CG 3.37Å; P266-L270 PolarHBondContact O-N 3.33Å; F267-L270 PolarHBondContact O-N 3.27Å; L270-C273 PolarHBondContact O-N 2.88Å; L270-L274 WeakPolarHBondContact O-CB 3.49Å; L270-L274 VanDerWaalsContact O-CG 3.24Å; L270-L274 WeakPolarHBondContact O-CG 3.17Å; L270-L274 PolarHBondContact O-N 3.35Å |
| 271 | I | 94.8 | Very high | 92.2 | Very high | 99 Ų | 99 | 57.6 Ų | 57.6 | 51% | 0.508 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.3 | -45.3 | 176.5 | -63.6 | 164.9 | 0 | 0 | 0 | 110.5 | F202 F267 A268 G269 L274 A275 | F202-I271 HydrophobicContact CE1-CB 3.95Å; F202-I271 HydrophobicContact CE1-CG2 3.78Å; F202-I271 HydrophobicContact CZ-CG2 4.43Å; F267-I271 VanDerWaalsContact O-CG1 3.29Å; F267-I271 WeakPolarHBondContact O-CG1 3.36Å; F267-I271 PolarHBondContact O-N 2.87Å; F267-I271 VanDerWaalsContact O-N 3.08Å; A268-I271 PolarHBondContact O-N 3.03Å; G269-I271 VanDerWaalsContact C-N 3.29Å; G269-I271 PolarHBondContact O-N 3.24Å; I271-L274 PolarHBondContact O-N 2.86Å; I271-A275 WeakPolarHBondContact O-CB 3.29Å; I271-A275 PolarHBondContact O-N 2.84Å |
| 272 | G | 94.3 | Very high | 92 | Very high | 2 Ų | 2 | 61.1 Ų | 61.1 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.2 | -45.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A268 G269 A275 V276 | A268-G272 PolarHBondContact O-N 3.39Å; G269-G272 PolarHBondContact O-N 3.49Å; G272-A275 PolarHBondContact O-N 2.95Å; G272-V276 PolarHBondContact O-N 3.43Å |
| 273 | C | 94.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.4 | -47.8 | 176.2 | -177.7 | 0 | 0 | 0 | 0 | 111.4 | T11 G205 G269 L270 A275 V276 H277 | T11-C273 HydrophobicContact CG2-CB 4.01Å; T11-C273 WeakPolarHBondContact OG1-CB 3.29Å; T11-C273 PolarHBondContact OG1-SG 3.23Å; G205-C273 VanDerWaalsContact O-CA 3.26Å; G205-C273 WeakPolarHBondContact O-CA 3.37Å; G205-C273 WeakPolarHBondContact O-CB 3.43Å; G269-C273 VanDerWaalsContact O-CB 3.28Å; G269-C273 WeakPolarHBondContact O-CB 3.41Å; G269-C273 PolarHBondContact O-N 3.22Å; L270-C273 PolarHBondContact O-N 2.88Å; C273-A275 VanDerWaalsContact C-N 3.34Å; C273-A275 PolarHBondContact O-N 3.03Å; C273-V276 PolarHBondContact O-N 3.48Å; C273-H277 WeakPolarHBondContact O-CB 3.3Å; C273-H277 PolarHBondContact O-N 3.29Å |
| 274 | L | 93.5 | Very high | 91.6 | Very high | 76 Ų | 76 | 58.4 Ų | 58.4 | 40% | 0.398 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -58.7 | -43.9 | 176.2 | -75.7 | 166.4 | 0 | 0 | 0 | 112 | F8 L270 I271 V276 H277 F278 | F8-L274 HydrophobicContact CD1-CD2 4.45Å; F8-L274 HydrophobicContact CE1-CD2 3.42Å; F8-L274 VanDerWaalsContact CE1-CD2 3.42Å; F8-L274 HydrophobicContact CE1-CG 3.81Å; F8-L274 HydrophobicContact CZ-CD2 3.82Å; L270-L274 WeakPolarHBondContact O-CB 3.49Å; L270-L274 VanDerWaalsContact O-CG 3.24Å; L270-L274 WeakPolarHBondContact O-CG 3.17Å; L270-L274 PolarHBondContact O-N 3.35Å; I271-L274 PolarHBondContact O-N 2.86Å; L274-V276 PolarHBondContact O-N 3.5Å; L274-H277 PolarHBondContact O-N 3.28Å; L274-F278 HydrophobicContact CD2-CE2 3.91Å; L274-F278 VanDerWaalsContact O-CD2 3.31Å; L274-F278 WeakPolarHBondContact O-CD2 3.46Å; L274-F278 PolarHBondContact O-N 2.96Å |
| 275 | A | 90.5 | Very high | 91.5 | Very high | 33 Ų | 33 | 61 Ų | 61 | 27% | 0.273 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58.5 | -45.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112 | I271 G272 C273 F279 L282 | I271-A275 WeakPolarHBondContact O-CB 3.29Å; I271-A275 PolarHBondContact O-N 2.84Å; G272-A275 PolarHBondContact O-N 2.95Å; C273-A275 VanDerWaalsContact C-N 3.34Å; C273-A275 PolarHBondContact O-N 3.03Å; A275-F279 WeakPolarHBondContact O-CB 3.38Å; A275-F279 WeakPolarHBondContact O-CD2 3.09Å; A275-F279 PolarHBondContact O-N 3.17Å; A275-L282 HydrophobicContact CB-CD2 4.44Å |
| 276 | V | 90.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -84.9 | -24.6 | -179 | -59.5 | 0 | 0 | 0 | 0 | 113.7 | I206 Q213 G272 C273 L274 F278 Q283 A286 | I206-V276 HydrophobicContact CG1-CG1 4.23Å; I206-V276 HydrophobicContact CG2-CG1 4Å; Q213-V276 PolarHBondContact NE2-O 3.39Å; G272-V276 PolarHBondContact O-N 3.43Å; C273-V276 PolarHBondContact O-N 3.48Å; L274-V276 PolarHBondContact O-N 3.5Å; V276-F278 VanDerWaalsContact C-N 3.33Å; V276-F278 PolarHBondContact O-N 3.17Å; V276-Q283 HydrophobicContact CB-CB 4.41Å; V276-Q283 HydrophobicContact CG1-CB 4.13Å; V276-Q283 HydrophobicContact CG1-CG 4.34Å; V276-A286 HydrophobicContact CG1-CB 3.79Å |
| 277 | H | 86.4 | Confident | 91.2 | Very high | 77 Ų | 77 | 60.8 Ų | 60.8 | 36% | 0.356 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.5 | -41.4 | 174.9 | -172.7 | 74.2 | 0 | 0 | 0 | 111.6 | F8 C273 L274 | F8-H277 HydrophobicContact CZ-CB 4.24Å; F8-H277 AromaticContact CZ-CD2 3.81Å; F8-H277 AromaticContact CZ-CG 3.89Å; C273-H277 WeakPolarHBondContact O-CB 3.3Å; C273-H277 PolarHBondContact O-N 3.29Å; L274-H277 PolarHBondContact O-N 3.28Å |
| 278 | F | 83.9 | Confident | 91.2 | Very high | 141 Ų | 141 | 54.3 Ų | 54.3 | 62% | 0.618 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -87.3 | -31.5 | 178.9 | -70.7 | -67.4 | 0 | 0 | 0 | 113.8 | L274 V276 | L274-F278 HydrophobicContact CD2-CE2 3.91Å; L274-F278 VanDerWaalsContact O-CD2 3.31Å; L274-F278 WeakPolarHBondContact O-CD2 3.46Å; L274-F278 PolarHBondContact O-N 2.96Å; V276-F278 VanDerWaalsContact C-N 3.33Å; V276-F278 PolarHBondContact O-N 3.17Å |
| 279 | F | 86.1 | Confident | 91.2 | Very high | 137 Ų | 137 | 55.7 Ų | 55.7 | 60% | 0.601 | 25% | 0.254 | S | S | * | . | trans | -120.4 | 77 | -174.6 | -57.4 | -77.2 | 0 | 0 | 0 | 111.3 | A275 R281 L282 | A275-F279 WeakPolarHBondContact O-CB 3.38Å; A275-F279 WeakPolarHBondContact O-CD2 3.09Å; A275-F279 PolarHBondContact O-N 3.17Å; F279-R281 VanDerWaalsContact C-N 3.29Å; F279-R281 PolarHBondContact O-N 2.83Å; F279-R281 VanDerWaalsContact O-N 3.17Å; F279-L282 HydrophobicContact CB-CB 3.81Å; F279-L282 HydrophobicContact CB-CD2 4.21Å; F279-L282 WeakPolarHBondContact O-CA 3.36Å; F279-L282 WeakPolarHBondContact O-CB 3.47Å; F279-L282 PolarHBondContact O-N 3.02Å | ||
| 280 | R | 80.9 | Confident | 91.1 | Very high | 131 Ų | 131 | 55.7 Ų | 55.7 | 49% | 0.494 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -48.1 | -49.9 | -178 | -54.5 | -172.4 | 63.1 | 171.6 | -4.7 | 112.5 | Q213 Y214 L282 Q283 | Q213-R280 PolarHBondContact O-NH2 3.38Å; Q213-R280 VanDerWaalsContact OE1-CG 3.31Å; Y214-R280 VanDerWaalsContact OH-CB 3.32Å; Y214-R280 WeakPolarHBondContact OH-CB 3.46Å; Y214-R280 PolarHBondContact OH-O 3.45Å; R280-L282 PolarHBondContact O-N 2.89Å; R280-Q283 WeakPolarHBondContact O-CB 3.38Å; R280-Q283 PolarHBondContact O-N 3.06Å |
| 281 | R | 86.7 | Confident | 91.1 | Very high | 202 Ų | 202 | 53.2 Ų | 53.2 | 76% | 0.762 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -59 | -16.4 | 179.3 | -66.1 | -175.3 | -176.8 | 172.6 | 1.1 | 114.7 | L75 F279 | L75-R281 HydrophobicContact CD2-CB 4.28Å; L75-R281 HydrophobicContact CD2-CG 4.13Å; F279-R281 VanDerWaalsContact C-N 3.29Å; F279-R281 PolarHBondContact O-N 2.83Å; F279-R281 VanDerWaalsContact O-N 3.17Å |
| 282 | L | 88.3 | Confident | 91.1 | Very high | 74 Ų | 74 | 48.6 Ų | 48.6 | 39% | 0.387 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -79.3 | -18.5 | 177.9 | -166.9 | 63.5 | 0 | 0 | 0 | 112.1 | A275 F279 R280 Y285 A286 | A275-L282 HydrophobicContact CB-CD2 4.44Å; F279-L282 HydrophobicContact CB-CB 3.81Å; F279-L282 HydrophobicContact CB-CD2 4.21Å; F279-L282 WeakPolarHBondContact O-CA 3.36Å; F279-L282 WeakPolarHBondContact O-CB 3.47Å; F279-L282 PolarHBondContact O-N 3.02Å; R280-L282 PolarHBondContact O-N 2.89Å; L282-Y285 CarbonylContact O-C 3.58Å; L282-Y285 WeakPolarHBondContact O-CA 3.48Å; L282-Y285 WeakPolarHBondContact O-CB 3.46Å; L282-Y285 PolarHBondContact O-N 2.95Å; L282-A286 WeakPolarHBondContact O-CB 3.44Å; L282-A286 PolarHBondContact O-N 2.82Å |
| 283 | Q | 88.6 | Confident | 91.1 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.3 | -43.8 | -170.3 | -175.6 | 168 | -32.3 | 0 | 0 | 114.5 | M70 I206 Y214 V276 R280 Y285 A286 L287 | M70-Q283 VanDerWaalsContact CE-NE2 3.34Å; M70-Q283 HydrophobicContact SD-CG 3.87Å; M70-Q283 PolarHBondContact SD-NE2 3.43Å; I206-Q283 HydrophobicContact CG2-CG 4.48Å; Y214-Q283 HydrophobicContact CD2-CB 4.47Å; Y214-Q283 VanDerWaalsContact CD2-CD 3.41Å; Y214-Q283 HydrophobicContact CD2-CG 4.36Å; Y214-Q283 HydrophobicContact CE2-CB 3.8Å; Y214-Q283 HydrophobicContact CE2-CG 4.18Å; V276-Q283 HydrophobicContact CB-CB 4.41Å; V276-Q283 HydrophobicContact CG1-CB 4.13Å; V276-Q283 HydrophobicContact CG1-CG 4.34Å; R280-Q283 WeakPolarHBondContact O-CB 3.38Å; R280-Q283 PolarHBondContact O-N 3.06Å; Q283-Y285 VanDerWaalsContact C-N 3.31Å; Q283-Y285 PolarHBondContact O-N 3.23Å; Q283-A286 PolarHBondContact O-N 3.35Å; Q283-A286 VanDerWaalsContact O-N 3.17Å; Q283-L287 HydrophobicContact CG-CD1 4.3Å; Q283-L287 PolarHBondContact O-N 3.43Å |
| 284 | P | 91.6 | Very high | 91.1 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.2 | -36 | 175.5 | -24.1 | 35.5 | 0 | 0 | 0 | 113.4 | M70 A71 L75 V85 G288 | M70-P284 HydrophobicContact CB-CG 3.97Å; A71-P284 HydrophobicContact CB-CB 3.92Å; A71-P284 HydrophobicContact CB-CG 4.19Å; L75-P284 HydrophobicContact CD1-CG 4Å; V85-P284 HydrophobicContact CG2-CB 4.5Å; P284-G288 PolarHBondContact O-N 2.78Å |
| 285 | Y | 93.5 | Very high | 91.2 | Very high | 93 Ų | 93 | 46.4 Ų | 46.4 | 37% | 0.365 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -68.8 | -39.3 | 174.4 | -64 | -97.2 | 0 | 0 | 0 | 111.1 | P84 C87 G88 L282 Q283 G288 F289 | P84-Y285 VanDerWaalsContact CA-CE1 3.44Å; P84-Y285 HydrophobicContact CB-CD1 3.97Å; P84-Y285 HydrophobicContact CB-CD2 3.88Å; P84-Y285 HydrophobicContact CB-CE1 3.56Å; P84-Y285 HydrophobicContact CB-CE2 3.44Å; P84-Y285 VanDerWaalsContact CB-CE2 3.44Å; P84-Y285 HydrophobicContact CB-CG 4.13Å; P84-Y285 VanDerWaalsContact O-CD1 3.26Å; P84-Y285 WeakPolarHBondContact O-CD1 3.48Å; C87-Y285 HydrophobicContact CB-CD1 4.25Å; C87-Y285 HydrophobicContact CB-CE1 4.19Å; G88-Y285 VanDerWaalsContact CA-O 3.31Å; G88-Y285 WeakPolarHBondContact CA-O 3.08Å; L282-Y285 CarbonylContact O-C 3.58Å; L282-Y285 WeakPolarHBondContact O-CA 3.48Å; L282-Y285 WeakPolarHBondContact O-CB 3.46Å; L282-Y285 PolarHBondContact O-N 2.95Å; Q283-Y285 VanDerWaalsContact C-N 3.31Å; Q283-Y285 PolarHBondContact O-N 3.23Å; Y285-G288 PolarHBondContact O-N 3.48Å; Y285-F289 VanDerWaalsContact O-CB 3.29Å; Y285-F289 WeakPolarHBondContact O-CB 3.37Å; Y285-F289 PolarHBondContact O-N 3.32Å |
| 286 | A | 93.1 | Very high | 91.4 | Very high | 11 Ų | 11 | 47.7 Ų | 47.7 | 9% | 0.091 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.9 | -44.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | I206 V276 L282 Q283 F289 A290 | I206-A286 HydrophobicContact CD1-CB 3.69Å; I206-A286 WeakPolarHBondContact CD1-O 3.33Å; I206-A286 HydrophobicContact CG1-CB 4.06Å; I206-A286 HydrophobicContact CG2-CB 4.08Å; V276-A286 HydrophobicContact CG1-CB 3.79Å; L282-A286 WeakPolarHBondContact O-CB 3.44Å; L282-A286 PolarHBondContact O-N 2.82Å; Q283-A286 PolarHBondContact O-N 3.35Å; Q283-A286 VanDerWaalsContact O-N 3.17Å; A286-F289 WeakPolarHBondContact O-CB 3.35Å; A286-F289 PolarHBondContact O-N 2.88Å; A286-A290 PolarHBondContact O-N 3.28Å |
| 287 | L | 93.5 | Very high | 91.4 | Very high | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.2 | -42.7 | 172.4 | -74.3 | 173.1 | 0 | 0 | 0 | 111.4 | L63 P66 A67 M70 I206 Q283 F289 A290 A291 | L63-L287 HydrophobicContact CD2-CD2 3.62Å; P66-L287 HydrophobicContact CB-CD1 4.21Å; A67-L287 HydrophobicContact CB-CB 3.65Å; A67-L287 HydrophobicContact CB-CD1 4.12Å; M70-L287 HydrophobicContact CE-CD1 3.99Å; M70-L287 HydrophobicContact SD-CD1 3.81Å; I206-L287 HydrophobicContact CB-CD2 4.41Å; I206-L287 HydrophobicContact CG2-CD2 3.51Å; I206-L287 HydrophobicContact CG2-CG 3.65Å; Q283-L287 HydrophobicContact CG-CD1 4.3Å; Q283-L287 PolarHBondContact O-N 3.43Å; L287-F289 VanDerWaalsContact C-N 3.3Å; L287-F289 PolarHBondContact O-N 3.3Å; L287-A290 PolarHBondContact O-N 3.28Å; L287-A291 WeakPolarHBondContact O-CB 3.26Å; L287-A291 PolarHBondContact O-N 3.47Å |
| 288 | G | 95.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.1 | -44.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | G88 L89 P284 Y285 A291 G292 | G88-G288 VanDerWaalsContact C-C 3.41Å; L89-G288 WeakPolarHBondContact CA-O 3.31Å; L89-G288 PolarHBondContact N-O 2.92Å; P284-G288 PolarHBondContact O-N 2.78Å; Y285-G288 PolarHBondContact O-N 3.48Å; G288-A291 PolarHBondContact O-N 3.22Å; G288-G292 PolarHBondContact O-N 3.27Å |
| 289 | F | 95.7 | Very high | 92.2 | Very high | 36 Ų | 36 | 41.9 Ų | 41.9 | 16% | 0.158 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.3 | -50 | 175.3 | 171.3 | -83.1 | 0 | 0 | 0 | 112.3 | G88 I91 G92 F95 F202 Y285 A286 L287 A291 G292 A293 | G88-F289 VanDerWaalsContact C-N 3.32Å; G88-F289 WeakPolarHBondContact O-CA 3.15Å; G88-F289 PolarHBondContact O-N 3.37Å; I91-F289 HydrophobicContact CB-CD2 4.38Å; I91-F289 HydrophobicContact CG2-CD2 3.89Å; I91-F289 HydrophobicContact CG2-CE2 4.18Å; G92-F289 WeakPolarHBondContact CA-O 3.31Å; F95-F289 HydrophobicContact CB-CE2 3.72Å; F95-F289 HydrophobicContact CB-CZ 3.96Å; F95-F289 HydrophobicContact CD1-CE2 4.36Å; F95-F289 AromaticContact CD1-CZ 3.72Å; F95-F289 HydrophobicContact CD1-CZ 3.72Å; F95-F289 HydrophobicContact CD2-CZ 4.35Å; F95-F289 HydrophobicContact CE1-CZ 4.32Å; F95-F289 HydrophobicContact CG-CE2 4.01Å; F95-F289 AromaticContact CG-CZ 3.74Å; F95-F289 HydrophobicContact CG-CZ 3.74Å; F202-F289 AromaticContact CD2-CE1 3.72Å; F202-F289 HydrophobicContact CD2-CE1 3.72Å; F202-F289 AromaticContact CE2-CE1 3.91Å; F202-F289 HydrophobicContact CE2-CE1 3.91Å; F202-F289 HydrophobicContact CE2-CZ 4.36Å; F202-F289 HydrophobicContact CG-CE1 4.32Å; Y285-F289 VanDerWaalsContact O-CB 3.29Å; Y285-F289 WeakPolarHBondContact O-CB 3.37Å; Y285-F289 PolarHBondContact O-N 3.32Å; A286-F289 WeakPolarHBondContact O-CB 3.35Å; A286-F289 PolarHBondContact O-N 2.88Å; L287-F289 VanDerWaalsContact C-N 3.3Å; L287-F289 PolarHBondContact O-N 3.3Å; F289-A291 VanDerWaalsContact C-N 3.32Å; F289-A291 PolarHBondContact O-N 3.29Å; F289-G292 PolarHBondContact O-N 2.85Å; F289-A293 VanDerWaalsContact O-CB 3.29Å; F289-A293 WeakPolarHBondContact O-CB 3.37Å; F289-A293 PolarHBondContact O-N 3.49Å |
| 290 | A | 95 | Very high | 92.3 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.7 | -44.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L63 A203 I206 A286 L287 M294 | L63-A290 HydrophobicContact CD1-CB 4.06Å; L63-A290 HydrophobicContact CD2-CB 4.41Å; A203-A290 HydrophobicContact CB-CB 4.12Å; I206-A290 HydrophobicContact CD1-CB 4.3Å; A286-A290 PolarHBondContact O-N 3.28Å; L287-A290 PolarHBondContact O-N 3.28Å; A290-M294 VanDerWaalsContact O-CB 3.23Å; A290-M294 WeakPolarHBondContact O-CB 3.32Å; A290-M294 PolarHBondContact O-N 2.96Å |
| 291 | A | 96.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.2 | -45.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L63 L64 L287 G288 F289 M294 L295 | L63-A291 HydrophobicContact CB-CB 3.81Å; L63-A291 HydrophobicContact CD1-CB 4.08Å; L64-A291 HydrophobicContact CD1-CB 4.28Å; L64-A291 HydrophobicContact CD2-CB 3.71Å; L64-A291 HydrophobicContact CG-CB 3.63Å; L287-A291 WeakPolarHBondContact O-CB 3.26Å; L287-A291 PolarHBondContact O-N 3.47Å; G288-A291 PolarHBondContact O-N 3.22Å; F289-A291 VanDerWaalsContact C-N 3.32Å; F289-A291 PolarHBondContact O-N 3.29Å; A291-M294 PolarHBondContact O-N 3.25Å; A291-L295 WeakPolarHBondContact O-CB 3.37Å; A291-L295 VanDerWaalsContact O-CG 3.23Å; A291-L295 WeakPolarHBondContact O-CG 3.31Å; A291-L295 PolarHBondContact O-N 2.89Å |
| 292 | G | 96.4 | Very high | 92.8 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.5 | -38.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L89 G288 F289 F296 | L89-G292 WeakPolarHBondContact O-CA 3.38Å; G288-G292 PolarHBondContact O-N 3.27Å; F289-G292 PolarHBondContact O-N 2.85Å; G292-F296 WeakPolarHBondContact O-CB 3.23Å; G292-F296 PolarHBondContact O-N 3.49Å |
| 293 | A | 94.2 | Very high | 93 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.2 | -45.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | V96 P199 F289 F296 V297 | V96-A293 HydrophobicContact CG2-CB 3.64Å; P199-A293 HydrophobicContact CB-CB 3.87Å; P199-A293 HydrophobicContact CG-CB 3.66Å; F289-A293 VanDerWaalsContact O-CB 3.29Å; F289-A293 WeakPolarHBondContact O-CB 3.37Å; F289-A293 PolarHBondContact O-N 3.49Å; A293-F296 PolarHBondContact O-N 3.11Å; A293-V297 WeakPolarHBondContact O-CG2 3.49Å; A293-V297 PolarHBondContact O-N 2.89Å |
| 294 | M | 93.9 | Very high | 93.2 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.1 | -46.5 | 176.9 | -171.2 | 176.6 | -73.6 | 0 | 0 | 112.1 | M55 A58 S59 L63 E200 A203 I229 A290 A291 F296 V297 V298 | M55-M294 HydrophobicContact CB-CG 4.12Å; M55-M294 HydrophobicContact CB-SD 4.15Å; M55-M294 HydrophobicContact CE-CB 4.41Å; M55-M294 HydrophobicContact CE-CG 3.32Å; M55-M294 HydrophobicContact CE-SD 4.42Å; M55-M294 HydrophobicContact CG-CG 4.42Å; M55-M294 HydrophobicContact CG-SD 4.46Å; A58-M294 HydrophobicContact CB-SD 4.36Å; S59-M294 WeakPolarHBondContact OG-CG 3.24Å; S59-M294 PolarHBondContact OG-SD 3.12Å; S59-M294 VanDerWaalsContact OG-SD 3.33Å; L63-M294 HydrophobicContact CD1-CE 4.26Å; L63-M294 HydrophobicContact CD1-SD 4.31Å; E200-M294 HydrophobicContact CG-CE 4.19Å; A203-M294 HydrophobicContact CB-CE 4.23Å; I229-M294 HydrophobicContact CD1-CE 4.4Å; A290-M294 VanDerWaalsContact O-CB 3.23Å; A290-M294 WeakPolarHBondContact O-CB 3.32Å; A290-M294 PolarHBondContact O-N 2.96Å; A291-M294 PolarHBondContact O-N 3.25Å; M294-F296 VanDerWaalsContact C-N 3.34Å; M294-F296 PolarHBondContact O-N 3.12Å; M294-V297 PolarHBondContact O-N 3.48Å; M294-V298 WeakPolarHBondContact O-CG2 3.48Å; M294-V298 PolarHBondContact O-N 3.49Å |
| 295 | L | 95.4 | Very high | 93.1 | Very high | 32 Ų | 32 | 30.6 Ų | 30.6 | 17% | 0.168 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.1 | -39.2 | 177.1 | -74.2 | 174.7 | 0 | 0 | 0 | 112.6 | L56 F60 L64 L89 A291 V298 V299 | L56-L295 HydrophobicContact CD2-CD2 3.76Å; F60-L295 HydrophobicContact CE2-CD2 4.48Å; L64-L295 HydrophobicContact CD1-CD1 4.34Å; L89-L295 HydrophobicContact CD1-CD1 4.37Å; A291-L295 WeakPolarHBondContact O-CB 3.37Å; A291-L295 VanDerWaalsContact O-CG 3.23Å; A291-L295 WeakPolarHBondContact O-CG 3.31Å; A291-L295 PolarHBondContact O-N 2.89Å; L295-V298 PolarHBondContact O-N 3Å; L295-V299 WeakPolarHBondContact O-CB 3.22Å; L295-V299 VanDerWaalsContact O-CG2 3.31Å; L295-V299 WeakPolarHBondContact O-CG2 3.43Å; L295-V299 PolarHBondContact O-N 3.38Å; L295-V299 VanDerWaalsContact O-N 3.13Å |
| 296 | F | 93.7 | Very high | 93 | Very high | 59 Ų | 59 | 26.2 Ų | 26.2 | 26% | 0.259 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -59.8 | -51.4 | 176.2 | -175.8 | -82.2 | 0 | 0 | 0 | 110.6 | A93 V96 G292 A293 M294 V298 V299 D300 | A93-F296 HydrophobicContact CB-CB 4.08Å; A93-F296 HydrophobicContact CB-CD2 4.11Å; A93-F296 HydrophobicContact CB-CG 4.46Å; V96-F296 HydrophobicContact CB-CD1 3.79Å; V96-F296 HydrophobicContact CB-CE1 4.33Å; V96-F296 HydrophobicContact CB-CG 4.32Å; V96-F296 HydrophobicContact CG1-CD1 3.45Å; V96-F296 VanDerWaalsContact CG1-CD1 3.45Å; V96-F296 HydrophobicContact CG1-CE1 3.84Å; V96-F296 HydrophobicContact CG1-CG 4.4Å; G292-F296 WeakPolarHBondContact O-CB 3.23Å; G292-F296 PolarHBondContact O-N 3.49Å; A293-F296 PolarHBondContact O-N 3.11Å; M294-F296 VanDerWaalsContact C-N 3.34Å; M294-F296 PolarHBondContact O-N 3.12Å; F296-V298 VanDerWaalsContact C-N 3.34Å; F296-V298 PolarHBondContact O-N 3.23Å; F296-V299 PolarHBondContact O-N 3.39Å; F296-D300 HydrophobicContact CD1-CB 4.33Å; F296-D300 HydrophobicContact CE1-CB 4.02Å; F296-D300 HydrophobicContact CZ-CB 4.36Å; F296-D300 WeakPolarHBondContact O-CB 3.45Å; F296-D300 PolarHBondContact O-N 3.32Å |
| 297 | V | 90.3 | Very high | 93.1 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.012 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.6 | -40 | -179.1 | -177.3 | 0 | 0 | 0 | 0 | 112 | V96 H196 A293 M294 V299 D301 I302 | V96-V297 HydrophobicContact CG1-CG2 3.66Å; V96-V297 HydrophobicContact CG2-CG2 4.27Å; H196-V297 HydrophobicContact CB-CG1 3.93Å; H196-V297 WeakPolarHBondContact CD2-CG1 3.06Å; H196-V297 WeakPolarHBondContact NE2-CG1 3.12Å; A293-V297 WeakPolarHBondContact O-CG2 3.49Å; A293-V297 PolarHBondContact O-N 2.89Å; M294-V297 PolarHBondContact O-N 3.48Å; V297-V299 VanDerWaalsContact C-N 3.34Å; V297-V299 PolarHBondContact O-N 3.13Å; V297-D301 HydrophobicContact CG1-CB 4.28Å; V297-D301 WeakPolarHBondContact O-CB 3.38Å; V297-D301 PolarHBondContact O-N 3.37Å; V297-I302 HydrophobicContact CG1-CD1 4.39Å; V297-I302 HydrophobicContact CG1-CG1 4.08Å; V297-I302 PolarHBondContact O-N 3.03Å; V297-I302 VanDerWaalsContact O-N 3.11Å |
| 298 | V | 93.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | I | π-helix | trans | -58.7 | -48.1 | 176.5 | 172.5 | 0 | 0 | 0 | 0 | 111.8 | M55 L56 M294 L295 F296 I303 | M55-V298 HydrophobicContact CB-CG2 3.54Å; M55-V298 HydrophobicContact CE-CG2 3.26Å; M55-V298 HydrophobicContact CG-CG2 4.25Å; M55-V298 HydrophobicContact SD-CG2 3.56Å; M55-V298 VanDerWaalsContact SD-CG2 3.56Å; L56-V298 HydrophobicContact CD1-CG1 4.17Å; L56-V298 HydrophobicContact CD2-CB 4.31Å; L56-V298 HydrophobicContact CD2-CG1 3.73Å; L56-V298 HydrophobicContact CG-CG1 3.79Å; M294-V298 WeakPolarHBondContact O-CG2 3.48Å; M294-V298 PolarHBondContact O-N 3.49Å; L295-V298 PolarHBondContact O-N 3Å; F296-V298 VanDerWaalsContact C-N 3.34Å; F296-V298 PolarHBondContact O-N 3.23Å; V298-I303 HydrophobicContact CG1-CD1 3.5Å; V298-I303 HydrophobicContact CG1-CG1 3.8Å; V298-I303 WeakPolarHBondContact O-CB 3.49Å; V298-I303 WeakPolarHBondContact O-CG1 3.08Å; V298-I303 PolarHBondContact O-N 2.79Å |
| 299 | V | 93.9 | Very high | 92.6 | Very high | 95 Ų | 95 | 34.8 Ų | 34.8 | 58% | 0.576 | 19% | 0.185 | S | C | * | . | I | π-helix | trans | -76.3 | -41.2 | -171.8 | 173.2 | 0 | 0 | 0 | 0 | 111.5 | L295 F296 V297 P304 | L295-V299 WeakPolarHBondContact O-CB 3.22Å; L295-V299 VanDerWaalsContact O-CG2 3.31Å; L295-V299 WeakPolarHBondContact O-CG2 3.43Å; L295-V299 PolarHBondContact O-N 3.38Å; L295-V299 VanDerWaalsContact O-N 3.13Å; F296-V299 PolarHBondContact O-N 3.39Å; V297-V299 VanDerWaalsContact C-N 3.34Å; V297-V299 PolarHBondContact O-N 3.13Å; V299-P304 WeakPolarHBondContact O-CD 3.39Å; V299-P304 WeakPolarHBondContact O-CG 3.42Å |
| 300 | D | 89.7 | Confident | 92.4 | Very high | 93 Ų | 93 | 36.3 Ų | 36.3 | 50% | 0.497 | 21% | 0.211 | S | C | . | . | I | π-helix | trans | -82.8 | -36.7 | -174.9 | -151.4 | 51.5 | 0 | 0 | 0 | 112.4 | F296 P304 | F296-D300 HydrophobicContact CD1-CB 4.33Å; F296-D300 HydrophobicContact CE1-CB 4.02Å; F296-D300 HydrophobicContact CZ-CB 4.36Å; F296-D300 WeakPolarHBondContact O-CB 3.45Å; F296-D300 PolarHBondContact O-N 3.32Å; D300-P304 WeakPolarHBondContact O-CG 3.32Å |
| 301 | D | 86.8 | Confident | 92.3 | Very high | 44 Ų | 44 | 38.2 Ų | 38.2 | 24% | 0.235 | 22% | 0.22 | C | C | . | . | I | π-helix | trans | -114.8 | -60.4 | -171.9 | -66 | -44.6 | 0 | 0 | 0 | 113.9 | V297 P304 E305 | V297-D301 HydrophobicContact CG1-CB 4.28Å; V297-D301 WeakPolarHBondContact O-CB 3.38Å; V297-D301 PolarHBondContact O-N 3.37Å; D301-P304 WeakPolarHBondContact O-CD 3.07Å; D301-E305 VanDerWaalsContact O-CB 3.26Å; D301-E305 WeakPolarHBondContact O-CB 3.34Å; D301-E305 PolarHBondContact O-N 3.4Å |
| 302 | I | 90.5 | Very high | 92.2 | Very high | 7 Ų | 7 | 39.1 Ų | 39.1 | 4% | 0.036 | 23% | 0.229 | C | C | . | . | I | π-helix | trans | -67 | -48.6 | -164.6 | -54 | -62.4 | 0 | 0 | 0 | 111.4 | L48 M55 V297 E305 S306 | L48-I302 HydrophobicContact CB-CG2 4.31Å; L48-I302 VanDerWaalsContact O-CG2 3.25Å; L48-I302 WeakPolarHBondContact O-CG2 3.3Å; M55-I302 HydrophobicContact SD-CG1 4.48Å; V297-I302 HydrophobicContact CG1-CD1 4.39Å; V297-I302 HydrophobicContact CG1-CG1 4.08Å; V297-I302 PolarHBondContact O-N 3.03Å; V297-I302 VanDerWaalsContact O-N 3.11Å; I302-E305 PolarHBondContact O-N 3.25Å; I302-S306 WeakPolarHBondContact O-CB 3.25Å; I302-S306 PolarHBondContact O-N 3.41Å; I302-S306 PolarHBondContact O-OG 3.46Å |
| 303 | I | 93.4 | Very high | 92.3 | Very high | 51 Ų | 51 | 50 Ų | 50 | 26% | 0.262 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.6 | -46.9 | 179.6 | -70.1 | 173.1 | 0 | 0 | 0 | 111.5 | L56 V298 S306 Q307 | L56-I303 HydrophobicContact CD1-CD1 4.38Å; V298-I303 HydrophobicContact CG1-CD1 3.5Å; V298-I303 HydrophobicContact CG1-CG1 3.8Å; V298-I303 WeakPolarHBondContact O-CB 3.49Å; V298-I303 WeakPolarHBondContact O-CG1 3.08Å; V298-I303 PolarHBondContact O-N 2.79Å; I303-S306 PolarHBondContact O-OG 3.21Å; I303-Q307 WeakPolarHBondContact O-CG 3.4Å; I303-Q307 PolarHBondContact O-N 2.93Å |
| 304 | P | 91.9 | Very high | 92.4 | Very high | 67 Ų | 67 | 52.7 Ų | 52.7 | 44% | 0.435 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61 | -45 | 174.8 | -30.3 | 40.2 | 0 | 0 | 0 | 113.8 | V299 D300 D301 S306 Q307 S308 | V299-P304 WeakPolarHBondContact O-CD 3.39Å; V299-P304 WeakPolarHBondContact O-CG 3.42Å; D300-P304 WeakPolarHBondContact O-CG 3.32Å; D301-P304 WeakPolarHBondContact O-CD 3.07Å; P304-S306 PolarHBondContact O-N 2.96Å; P304-Q307 PolarHBondContact O-N 3.45Å; P304-S308 PolarHBondContact O-N 2.74Å |
| 305 | E | 89.1 | Confident | 92.6 | Very high | 46 Ų | 46 | 52.7 Ų | 52.7 | 22% | 0.215 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -69 | -35.2 | -177.3 | -177.4 | 59.5 | -159.8 | 0 | 0 | 112 | L48 R185 L189 D301 I302 Q307 S308 R309 | L48-E305 HydrophobicContact CD1-CB 4.47Å; L48-E305 HydrophobicContact CD1-CG 3.92Å; R185-E305 IonicContact CZ-OE1 3.88Å; R185-E305 IonicContact NH2-OE1 2.89Å; R185-E305 PolarHBondContact NH2-OE1 3.3Å; R185-E305 IonicContact NH2-OE2 3.58Å; L189-E305 HydrophobicContact CD1-CG 4.17Å; D301-E305 VanDerWaalsContact O-CB 3.26Å; D301-E305 WeakPolarHBondContact O-CB 3.34Å; D301-E305 PolarHBondContact O-N 3.4Å; I302-E305 PolarHBondContact O-N 3.25Å; E305-Q307 PolarHBondContact O-N 3.17Å; E305-S308 WeakPolarHBondContact O-CB 3.48Å; E305-S308 PolarHBondContact O-N 2.89Å; E305-S308 PolarHBondContact O-OG 3.42Å; E305-R309 PolarHBondContact O-NH1 3.05Å; E305-R309 IonicContact OE1-CZ 3.8Å; E305-R309 IonicContact OE1-NH1 3.63Å; E305-R309 IonicContact OE1-NH2 2.65Å; E305-R309 PolarHBondContact OE1-NH2 3.09Å |
| 306 | S | 92.6 | Very high | 92.7 | Very high | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.007 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66 | -17.7 | 177 | 81.6 | 0 | 0 | 0 | 0 | 113.4 | D45 I302 I303 P304 S315 | D45-S306 WeakPolarHBondContact CA-O 3.26Å; D45-S306 WeakPolarHBondContact CB-O 3.47Å; I302-S306 WeakPolarHBondContact O-CB 3.25Å; I302-S306 PolarHBondContact O-N 3.41Å; I302-S306 PolarHBondContact O-OG 3.46Å; I303-S306 PolarHBondContact O-OG 3.21Å; P304-S306 PolarHBondContact O-N 2.96Å; S306-S315 WeakPolarHBondContact CB-OG 3.28Å; S306-S315 WeakPolarHBondContact O-CB 3.46Å; S306-S315 PolarHBondContact O-OG 3.17Å; S306-S315 PolarHBondContact OG-OG 3.37Å |
| 307 | Q | 94.5 | Very high | 92.9 | Very high | 91 Ų | 91 | 55.3 Ų | 55.3 | 43% | 0.425 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -104.7 | -4.1 | 178.7 | -60.2 | -179.4 | 22.8 | 0 | 0 | 112.7 | I303 P304 E305 R309 | I303-Q307 WeakPolarHBondContact O-CG 3.4Å; I303-Q307 PolarHBondContact O-N 2.93Å; P304-Q307 PolarHBondContact O-N 3.45Å; E305-Q307 PolarHBondContact O-N 3.17Å; Q307-R309 VanDerWaalsContact C-N 3.32Å; Q307-R309 PolarHBondContact O-N 3.14Å |
| 308 | S | 89.2 | Confident | 93.3 | Very high | 58 Ų | 58 | 57.9 Ų | 57.9 | 41% | 0.406 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -20.3 | -170.7 | 72.5 | 0 | 0 | 0 | 0 | 114.9 | R185 P304 E305 | R185-S308 PolarHBondContact NH2-OG 3.09Å; P304-S308 PolarHBondContact O-N 2.74Å; E305-S308 WeakPolarHBondContact O-CB 3.48Å; E305-S308 PolarHBondContact O-N 2.89Å; E305-S308 PolarHBondContact O-OG 3.42Å |
| 309 | R | 88.7 | Confident | 93.5 | Very high | 46 Ų | 46 | 58.8 Ų | 58.8 | 17% | 0.174 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 15 | -174.5 | -42.6 | 171.4 | -178.1 | 67.2 | 9.3 | 114 | N41 L44 D45 E305 Q307 H311 | N41-R309 HydrophobicContact CB-CB 4.17Å; L44-R309 VanDerWaalsContact CD2-NH2 3.31Å; D45-R309 VanDerWaalsContact OD1-CD 3.27Å; D45-R309 WeakPolarHBondContact OD1-CD 3.43Å; D45-R309 WeakPolarHBondContact OD1-CG 3.37Å; D45-R309 IonicContact OD1-CZ 3.4Å; D45-R309 IonicContact OD1-NE 3.89Å; D45-R309 IonicContact OD1-NH1 3.57Å; D45-R309 PolarHBondContact OD1-NH1 2.96Å; D45-R309 VanDerWaalsContact OD2-CB 3.31Å; D45-R309 WeakPolarHBondContact OD2-CB 3.43Å; E305-R309 PolarHBondContact O-NH1 3.05Å; E305-R309 IonicContact OE1-CZ 3.8Å; E305-R309 IonicContact OE1-NH1 3.63Å; E305-R309 IonicContact OE1-NH2 2.65Å; E305-R309 PolarHBondContact OE1-NH2 3.09Å; Q307-R309 VanDerWaalsContact C-N 3.32Å; Q307-R309 PolarHBondContact O-N 3.14Å; R309-H311 PolarHBondContact O-CE1 3.31Å; R309-H311 PolarHBondContact O-ND1 3.02Å |
| 310 | G | 90.9 | Very high | 93.7 | Very high | 68 Ų | 68 | 59.8 Ų | 59.8 | 70% | 0.701 | 33% | 0.327 | S | S | * | . | S | Bend | trans | 89.2 | 2.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 311 | H | 93.3 | Very high | 94.1 | Very high | 41 Ų | 41 | 58.8 Ų | 58.8 | 19% | 0.19 | 32% | 0.321 | C | S | . | . | trans | -102.9 | 35.4 | 177.1 | -47.9 | 94.6 | 0 | 0 | 0 | 113 | Q42 D45 R309 R313 L314 S315 | Q42-H311 WeakPolarHBondContact CG-CD2 3.18Å; Q42-H311 WeakPolarHBondContact CG-NE2 3.22Å; D45-H311 HydrophobicContact CB-CB 4.07Å; D45-H311 WeakPolarHBondContact OD2-CB 3.49Å; D45-H311 IonicContact OD2-CG 3.78Å; D45-H311 PolarHBondContact OD2-N 3.19Å; D45-H311 IonicContact OD2-ND1 2.97Å; D45-H311 PolarHBondContact OD2-ND1 3.3Å; R309-H311 PolarHBondContact O-CE1 3.31Å; R309-H311 PolarHBondContact O-ND1 3.02Å; H311-R313 VanDerWaalsContact C-N 3.28Å; H311-R313 PolarHBondContact O-N 3.28Å; H311-R313 VanDerWaalsContact O-N 3.14Å; H311-L314 HydrophobicContact CB-CB 4.2Å; H311-L314 HydrophobicContact CB-CD2 4.48Å; H311-L314 WeakPolarHBondContact O-CB 3.22Å; H311-L314 PolarHBondContact O-N 2.97Å; H311-S315 PolarHBondContact O-N 2.96Å | ||
| 312 | G | 95 | Very high | 94.7 | Very high | 19 Ų | 19 | 56.7 Ų | 56.7 | 20% | 0.196 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -52.8 | -40.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | L314 S315 T316 | G312-L314 PolarHBondContact O-N 2.9Å; G312-S315 WeakPolarHBondContact O-CB 3.28Å; G312-S315 PolarHBondContact O-N 3.43Å; G312-T316 PolarHBondContact O-N 3.21Å; G312-T316 PolarHBondContact O-OG1 3.37Å |
| 313 | R | 97 | Very high | 95 | Very high | 229 Ų | 229 | 59.4 Ų | 59.4 | 86% | 0.864 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -60.8 | -43.1 | 175.7 | -71 | -175.9 | 179.6 | 170.8 | 0.2 | 113.2 | H311 S315 T316 V317 | H311-R313 VanDerWaalsContact C-N 3.28Å; H311-R313 PolarHBondContact O-N 3.28Å; H311-R313 VanDerWaalsContact O-N 3.14Å; R313-S315 VanDerWaalsContact C-N 3.35Å; R313-T316 PolarHBondContact O-N 2.87Å; R313-V317 WeakPolarHBondContact O-CG2 3.41Å; R313-V317 PolarHBondContact O-N 2.91Å; R313-V317 VanDerWaalsContact O-N 3.09Å |
| 314 | L | 97.4 | Very high | 95.2 | Very high | 57 Ų | 57 | 59 Ų | 59 | 30% | 0.298 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.8 | -46.5 | 177 | 174.8 | 65.9 | 0 | 0 | 0 | 109.5 | Q42 H311 G312 T316 V317 M318 | Q42-L314 HydrophobicContact CB-CD2 3.8Å; Q42-L314 HydrophobicContact CG-CD2 4.15Å; Q42-L314 WeakPolarHBondContact O-CD2 3.1Å; H311-L314 HydrophobicContact CB-CB 4.2Å; H311-L314 HydrophobicContact CB-CD2 4.48Å; H311-L314 WeakPolarHBondContact O-CB 3.22Å; H311-L314 PolarHBondContact O-N 2.97Å; G312-L314 PolarHBondContact O-N 2.9Å; L314-T316 VanDerWaalsContact C-N 3.34Å; L314-T316 PolarHBondContact O-N 3.45Å; L314-V317 PolarHBondContact O-N 2.95Å; L314-M318 HydrophobicContact CD1-CE 3.9Å; L314-M318 HydrophobicContact CD1-CG 4.14Å; L314-M318 HydrophobicContact CG-CG 4.36Å; L314-M318 WeakPolarHBondContact O-CB 3.36Å; L314-M318 VanDerWaalsContact O-CG 3.31Å; L314-M318 WeakPolarHBondContact O-CG 3.4Å; L314-M318 PolarHBondContact O-N 3.35Å |
| 315 | S | 97.2 | Very high | 95.3 | Very high | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.007 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -57.1 | -45.9 | 177.9 | -167.7 | 0 | 0 | 0 | 0 | 112.2 | D45 G49 S306 H311 G312 R313 V317 M318 A319 | D45-S315 WeakPolarHBondContact O-CB 3.47Å; D45-S315 PolarHBondContact O-OG 2.89Å; G49-S315 VanDerWaalsContact CA-OG 3.29Å; G49-S315 WeakPolarHBondContact CA-OG 3.21Å; S306-S315 WeakPolarHBondContact CB-OG 3.28Å; S306-S315 WeakPolarHBondContact O-CB 3.46Å; S306-S315 PolarHBondContact O-OG 3.17Å; S306-S315 PolarHBondContact OG-OG 3.37Å; H311-S315 PolarHBondContact O-N 2.96Å; G312-S315 WeakPolarHBondContact O-CB 3.28Å; G312-S315 PolarHBondContact O-N 3.43Å; R313-S315 VanDerWaalsContact C-N 3.35Å; S315-V317 PolarHBondContact O-N 3.4Å; S315-M318 PolarHBondContact O-N 2.96Å; S315-A319 WeakPolarHBondContact O-CB 3.37Å; S315-A319 PolarHBondContact O-N 3.11Å |
| 316 | T | 98 | Very high | 95.6 | Very high | 69 Ų | 69 | 56.9 Ų | 56.9 | 42% | 0.423 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.3 | -44.2 | 176 | -52.5 | 0 | 0 | 0 | 0 | 112.4 | G312 R313 L314 M318 A319 L320 | G312-T316 PolarHBondContact O-N 3.21Å; G312-T316 PolarHBondContact O-OG1 3.37Å; R313-T316 PolarHBondContact O-N 2.87Å; L314-T316 VanDerWaalsContact C-N 3.34Å; L314-T316 PolarHBondContact O-N 3.45Å; T316-M318 VanDerWaalsContact C-N 3.34Å; T316-M318 PolarHBondContact O-N 3.14Å; T316-A319 WeakPolarHBondContact O-CB 3.37Å; T316-A319 PolarHBondContact O-N 3.03Å; T316-L320 WeakPolarHBondContact O-CG 3.16Å; T316-L320 PolarHBondContact O-N 2.75Å |
| 317 | V | 98.5 | Very high | 95.6 | Very high | 76 Ų | 76 | 60.4 Ų | 60.4 | 46% | 0.461 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.2 | -43 | 177.4 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | R313 L314 S315 A319 L320 I321 | R313-V317 WeakPolarHBondContact O-CG2 3.41Å; R313-V317 PolarHBondContact O-N 2.91Å; R313-V317 VanDerWaalsContact O-N 3.09Å; L314-V317 PolarHBondContact O-N 2.95Å; S315-V317 PolarHBondContact O-N 3.4Å; V317-A319 VanDerWaalsContact C-N 3.32Å; V317-A319 PolarHBondContact O-N 3.09Å; V317-L320 PolarHBondContact O-N 3.3Å; V317-I321 HydrophobicContact CG1-CD1 4.07Å; V317-I321 WeakPolarHBondContact O-CG1 3.3Å; V317-I321 PolarHBondContact O-N 2.89Å |
| 318 | M | 98.2 | Very high | 95.6 | Very high | 56 Ų | 56 | 58.4 Ų | 58.4 | 28% | 0.276 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.8 | -36.8 | 177.1 | -68.3 | -61.6 | 128.8 | 0 | 0 | 111.9 | G46 F50 L314 S315 T316 I321 G322 | G46-M318 WeakPolarHBondContact O-CB 3.08Å; F50-M318 WeakPolarHBondContact CA-O 3.44Å; F50-M318 HydrophobicContact CB-CB 4.14Å; L314-M318 HydrophobicContact CD1-CE 3.9Å; L314-M318 HydrophobicContact CD1-CG 4.14Å; L314-M318 HydrophobicContact CG-CG 4.36Å; L314-M318 WeakPolarHBondContact O-CB 3.36Å; L314-M318 VanDerWaalsContact O-CG 3.31Å; L314-M318 WeakPolarHBondContact O-CG 3.4Å; L314-M318 PolarHBondContact O-N 3.35Å; S315-M318 PolarHBondContact O-N 2.96Å; T316-M318 VanDerWaalsContact C-N 3.34Å; T316-M318 PolarHBondContact O-N 3.14Å; M318-I321 HydrophobicContact CE-CD1 3.7Å; M318-I321 PolarHBondContact O-N 2.63Å; M318-I321 HydrophobicContact SD-CD1 4.01Å; M318-G322 PolarHBondContact O-N 3.39Å |
| 319 | A | 98.3 | Very high | 95.6 | Very high | 19 Ų | 19 | 57.6 Ų | 57.6 | 16% | 0.157 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 172 | 0 | 0 | 0 | 0 | 0 | 112.6 | G49 G53 S315 T316 V317 I321 G322 F323 | G49-A319 WeakPolarHBondContact O-CA 3.33Å; G49-A319 WeakPolarHBondContact O-CB 3.31Å; G49-A319 PolarHBondContact O-N 3.25Å; G53-A319 WeakPolarHBondContact CA-O 3.13Å; S315-A319 WeakPolarHBondContact O-CB 3.37Å; S315-A319 PolarHBondContact O-N 3.11Å; T316-A319 WeakPolarHBondContact O-CB 3.37Å; T316-A319 PolarHBondContact O-N 3.03Å; V317-A319 VanDerWaalsContact C-N 3.32Å; V317-A319 PolarHBondContact O-N 3.09Å; A319-I321 VanDerWaalsContact C-N 3.31Å; A319-I321 PolarHBondContact O-N 2.66Å; A319-G322 PolarHBondContact O-N 3.42Å; A319-F323 VanDerWaalsContact O-CB 3.29Å; A319-F323 WeakPolarHBondContact O-CB 3.41Å; A319-F323 PolarHBondContact O-N 3.49Å |
| 320 | L | 98.4 | Very high | 95.6 | Very high | 117 Ų | 117 | 55.6 Ų | 55.6 | 61% | 0.613 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -63.4 | -37.9 | 174.7 | -66.9 | 174.4 | 0 | 0 | 0 | 112.1 | T316 V317 A324 | T316-L320 WeakPolarHBondContact O-CG 3.16Å; T316-L320 PolarHBondContact O-N 2.75Å; V317-L320 PolarHBondContact O-N 3.3Å; L320-A324 WeakPolarHBondContact O-CB 3.41Å; L320-A324 PolarHBondContact O-N 3.37Å |
| 321 | I | 98.2 | Very high | 95.3 | Very high | 72 Ų | 72 | 56.2 Ų | 56.2 | 37% | 0.369 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.9 | -48.3 | 175.4 | -67.2 | 166.1 | 0 | 0 | 0 | 110.4 | F50 V317 M318 A319 F323 A324 I325 | F50-I321 HydrophobicContact CD2-CG2 4.37Å; F50-I321 HydrophobicContact CE2-CG2 4.25Å; V317-I321 HydrophobicContact CG1-CD1 4.07Å; V317-I321 WeakPolarHBondContact O-CG1 3.3Å; V317-I321 PolarHBondContact O-N 2.89Å; M318-I321 HydrophobicContact CE-CD1 3.7Å; M318-I321 PolarHBondContact O-N 2.63Å; M318-I321 HydrophobicContact SD-CD1 4.01Å; A319-I321 VanDerWaalsContact C-N 3.31Å; A319-I321 PolarHBondContact O-N 2.66Å; I321-F323 PolarHBondContact O-N 2.95Å; I321-A324 PolarHBondContact O-N 3.35Å; I321-I325 HydrophobicContact CG2-CD1 4.07Å; I321-I325 HydrophobicContact CG2-CG1 4.48Å; I321-I325 WeakPolarHBondContact O-CG1 2.92Å; I321-I325 PolarHBondContact O-N 3.1Å |
| 322 | G | 97.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.2 | -47.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I54 M318 A319 A324 I325 M326 | I54-G322 WeakPolarHBondContact CD1-O 3.19Å; M318-G322 PolarHBondContact O-N 3.39Å; A319-G322 PolarHBondContact O-N 3.42Å; G322-A324 VanDerWaalsContact C-N 3.35Å; G322-A324 PolarHBondContact O-N 2.75Å; G322-I325 PolarHBondContact O-N 3.44Å; G322-M326 PolarHBondContact O-N 2.88Å |
| 323 | F | 97.4 | Very high | 93.4 | Very high | 64 Ų | 64 | 62.7 Ų | 62.7 | 28% | 0.281 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -57.6 | -45.8 | 176.3 | -170.3 | -83.3 | 0 | 0 | 0 | 112.1 | G53 L56 A57 W61 A319 I321 M326 M327 | G53-F323 VanDerWaalsContact O-CA 3.3Å; G53-F323 WeakPolarHBondContact O-CA 3.17Å; L56-F323 HydrophobicContact CB-CD2 4.08Å; L56-F323 HydrophobicContact CB-CE2 4.22Å; A57-F323 HydrophobicContact CB-CD2 3.74Å; A57-F323 HydrophobicContact CB-CE2 3.98Å; A57-F323 HydrophobicContact CB-CG 4.09Å; W61-F323 AromaticContact CH2-CE1 3.59Å; W61-F323 HydrophobicContact CH2-CE1 3.59Å; W61-F323 HydrophobicContact CH2-CE2 4.42Å; W61-F323 AromaticContact CH2-CZ 3.4Å; W61-F323 HydrophobicContact CH2-CZ 3.4Å; W61-F323 VanDerWaalsContact CH2-CZ 3.4Å; W61-F323 AromaticContact CZ3-CE1 3.63Å; W61-F323 HydrophobicContact CZ3-CE1 3.63Å; W61-F323 AromaticContact CZ3-CE2 3.9Å; W61-F323 HydrophobicContact CZ3-CE2 3.9Å; W61-F323 AromaticContact CZ3-CZ 3.28Å; W61-F323 HydrophobicContact CZ3-CZ 3.28Å; A319-F323 VanDerWaalsContact O-CB 3.29Å; A319-F323 WeakPolarHBondContact O-CB 3.41Å; A319-F323 PolarHBondContact O-N 3.49Å; I321-F323 PolarHBondContact O-N 2.95Å; F323-M326 PolarHBondContact O-N 3.1Å; F323-M327 WeakPolarHBondContact O-CB 3.49Å; F323-M327 PolarHBondContact O-N 3.2Å |
| 324 | A | 97 | Very high | 91.7 | Very high | 41 Ų | 41 | 57 Ų | 57 | 34% | 0.339 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.1 | -39.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L320 I321 G322 M327 C328 | L320-A324 WeakPolarHBondContact O-CB 3.41Å; L320-A324 PolarHBondContact O-N 3.37Å; I321-A324 PolarHBondContact O-N 3.35Å; G322-A324 VanDerWaalsContact C-N 3.35Å; G322-A324 PolarHBondContact O-N 2.75Å; A324-M327 PolarHBondContact O-N 3.42Å; A324-C328 WeakPolarHBondContact O-CB 3.34Å; A324-C328 PolarHBondContact O-N 3.48Å; A324-C328 PolarHBondContact O-SG 2.95Å; A324-C328 VanDerWaalsContact O-SG 3.37Å |
| 325 | I | 95.4 | Very high | 89.4 | Confident | 67 Ų | 67 | 62 Ų | 62 | 34% | 0.344 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.2 | -47.3 | 175.9 | -71.4 | -180 | 0 | 0 | 0 | 110.5 | F50 I54 I321 G322 M327 C328 L329 | F50-I325 HydrophobicContact CE2-CD1 3.85Å; F50-I325 HydrophobicContact CZ-CD1 4.19Å; I54-I325 HydrophobicContact CD1-CB 4.25Å; I54-I325 HydrophobicContact CD1-CG2 4.15Å; I321-I325 HydrophobicContact CG2-CD1 4.07Å; I321-I325 HydrophobicContact CG2-CG1 4.48Å; I321-I325 WeakPolarHBondContact O-CG1 2.92Å; I321-I325 PolarHBondContact O-N 3.1Å; G322-I325 PolarHBondContact O-N 3.44Å; I325-M327 VanDerWaalsContact C-N 3.34Å; I325-M327 PolarHBondContact O-N 2.92Å; I325-C328 WeakPolarHBondContact O-CB 3.41Å; I325-C328 PolarHBondContact O-N 2.95Å; I325-C328 VanDerWaalsContact O-N 3.17Å; I325-L329 HydrophobicContact CG2-CD1 4.23Å; I325-L329 HydrophobicContact CG2-CG 4.45Å; I325-L329 WeakPolarHBondContact O-CG 3.47Å; I325-L329 PolarHBondContact O-N 3.23Å |
| 326 | M | 94.5 | Very high | 89 | Confident | 2 Ų | 2 | 65.1 Ų | 65.1 | 1% | 0.01 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.3 | -41 | 178.7 | -173.4 | 62.9 | -159.6 | 0 | 0 | 111.9 | I54 A57 A58 S62 G322 F323 C328 L329 E330 | I54-M326 HydrophobicContact CD1-CB 4.09Å; I54-M326 HydrophobicContact CG2-CB 4.39Å; I54-M326 HydrophobicContact CG2-CG 4.47Å; I54-M326 HydrophobicContact CG2-SD 4.23Å; A57-M326 HydrophobicContact CB-CB 3.56Å; A57-M326 HydrophobicContact CB-CG 3.62Å; A58-M326 HydrophobicContact CB-CE 3.85Å; A58-M326 HydrophobicContact CB-CG 4.2Å; A58-M326 HydrophobicContact CB-SD 4.28Å; S62-M326 WeakPolarHBondContact OG-CE 3.23Å; G322-M326 PolarHBondContact O-N 2.88Å; F323-M326 PolarHBondContact O-N 3.1Å; M326-C328 VanDerWaalsContact C-N 3.31Å; M326-C328 PolarHBondContact O-N 3.42Å; M326-L329 WeakPolarHBondContact O-CB 3.32Å; M326-L329 PolarHBondContact O-N 3.43Å; M326-L329 HydrophobicContact SD-CD1 4.26Å; M326-E330 PolarHBondContact O-N 3Å |
| 327 | M | 93.4 | Very high | 88.5 | Confident | 75 Ų | 75 | 64.9 Ų | 64.9 | 37% | 0.369 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.8 | -41.7 | 173.7 | -178.8 | -172.4 | 66.8 | 0 | 0 | 111.7 | F323 A324 I325 E330 V331 | F323-M327 WeakPolarHBondContact O-CB 3.49Å; F323-M327 PolarHBondContact O-N 3.2Å; A324-M327 PolarHBondContact O-N 3.42Å; I325-M327 VanDerWaalsContact C-N 3.34Å; I325-M327 PolarHBondContact O-N 2.92Å; M327-E330 PolarHBondContact O-N 2.93Å; M327-V331 WeakPolarHBondContact O-CG2 3.26Å; M327-V331 PolarHBondContact O-N 3.22Å; M327-V331 VanDerWaalsContact O-N 3.1Å |
| 328 | C | 93.1 | Very high | 88 | Confident | 49 Ų | 49 | 64.3 Ų | 64.3 | 33% | 0.331 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.9 | -43.2 | 173.7 | -78.1 | 0 | 0 | 0 | 0 | 112.2 | A324 I325 M326 E330 V331 F332 | A324-C328 WeakPolarHBondContact O-CB 3.34Å; A324-C328 PolarHBondContact O-N 3.48Å; A324-C328 PolarHBondContact O-SG 2.95Å; A324-C328 VanDerWaalsContact O-SG 3.37Å; I325-C328 WeakPolarHBondContact O-CB 3.41Å; I325-C328 PolarHBondContact O-N 2.95Å; I325-C328 VanDerWaalsContact O-N 3.17Å; M326-C328 VanDerWaalsContact C-N 3.31Å; M326-C328 PolarHBondContact O-N 3.42Å; C328-E330 VanDerWaalsContact C-N 3.27Å; C328-E330 PolarHBondContact O-N 3.44Å; C328-V331 PolarHBondContact O-N 3.17Å; C328-F332 HydrophobicContact CB-CD2 3.77Å; C328-F332 HydrophobicContact CB-CE2 3.68Å; C328-F332 WeakPolarHBondContact O-CB 3.44Å; C328-F332 WeakPolarHBondContact O-CD2 3.33Å; C328-F332 PolarHBondContact O-N 2.91Å |
| 329 | L | 91.3 | Very high | 87.4 | Confident | 41 Ų | 41 | 64.8 Ų | 64.8 | 22% | 0.215 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.7 | -37.9 | 177.6 | -72.2 | 173.3 | 0 | 0 | 0 | 112.1 | I227 I231 I325 M326 T333 | I227-L329 HydrophobicContact CG2-CD1 4.3Å; I227-L329 HydrophobicContact CG2-CD2 4.43Å; I231-L329 HydrophobicContact CD1-CD1 3.77Å; I325-L329 HydrophobicContact CG2-CD1 4.23Å; I325-L329 HydrophobicContact CG2-CG 4.45Å; I325-L329 WeakPolarHBondContact O-CG 3.47Å; I325-L329 PolarHBondContact O-N 3.23Å; M326-L329 WeakPolarHBondContact O-CB 3.32Å; M326-L329 PolarHBondContact O-N 3.43Å; M326-L329 HydrophobicContact SD-CD1 4.26Å; L329-T333 PolarHBondContact O-OG1 2.73Å; L329-T333 VanDerWaalsContact O-OG1 3.14Å |
| 330 | E | 87.9 | Confident | 86.7 | Confident | 5 Ų | 5 | 67.6 Ų | 67.6 | 2% | 0.023 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -69.8 | -49.6 | 176.3 | -167.8 | 73.8 | -155.4 | 0 | 0 | 111.6 | W61 S62 M326 M327 C328 T333 | W61-E330 HydrophobicContact CB-CB 4.44Å; W61-E330 HydrophobicContact CB-CG 3.98Å; S62-E330 PolarHBondContact OG-OE2 3.26Å; M326-E330 PolarHBondContact O-N 3Å; M327-E330 PolarHBondContact O-N 2.93Å; C328-E330 VanDerWaalsContact C-N 3.27Å; C328-E330 PolarHBondContact O-N 3.44Å; E330-T333 PolarHBondContact O-OG1 3.46Å |
| 331 | V | 85 | Confident | 85.9 | Confident | 80 Ų | 80 | 64.3 Ų | 64.3 | 49% | 0.485 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -70.7 | -42.5 | -172.4 | 174 | 0 | 0 | 0 | 0 | 112.6 | M327 C328 T333 E334 | M327-V331 WeakPolarHBondContact O-CG2 3.26Å; M327-V331 PolarHBondContact O-N 3.22Å; M327-V331 VanDerWaalsContact O-N 3.1Å; C328-V331 PolarHBondContact O-N 3.17Å; V331-T333 PolarHBondContact O-N 3.18Å; V331-T333 VanDerWaalsContact O-N 3.11Å; V331-E334 PolarHBondContact O-N 3.46Å |
| 332 | F | 79.3 | Confident | 85.1 | Confident | 147 Ų | 147 | 63.8 Ų | 63.8 | 65% | 0.645 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -13.3 | -173.1 | -77.8 | -55.5 | 0 | 0 | 0 | 114.4 | C328 T335 | C328-F332 HydrophobicContact CB-CD2 3.77Å; C328-F332 HydrophobicContact CB-CE2 3.68Å; C328-F332 WeakPolarHBondContact O-CB 3.44Å; C328-F332 WeakPolarHBondContact O-CD2 3.33Å; C328-F332 PolarHBondContact O-N 2.91Å; F332-T335 PolarHBondContact O-OG1 3.21Å |
| 333 | T | 68.7 | Low | 84.1 | Confident | 49 Ų | 49 | 68.7 Ų | 68.7 | 30% | 0.301 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -7.9 | -179.1 | 52.9 | 0 | 0 | 0 | 0 | 114.6 | N224 L329 E330 V331 T335 | N224-T333 WeakPolarHBondContact ND2-CB 3.48Å; N224-T333 PolarHBondContact ND2-OG1 3.29Å; N224-T333 VanDerWaalsContact OD1-CG2 3.22Å; N224-T333 WeakPolarHBondContact OD1-CG2 3.45Å; L329-T333 PolarHBondContact O-OG1 2.73Å; L329-T333 VanDerWaalsContact O-OG1 3.14Å; E330-T333 PolarHBondContact O-OG1 3.46Å; V331-T333 PolarHBondContact O-N 3.18Å; V331-T333 VanDerWaalsContact O-N 3.11Å; T333-T335 VanDerWaalsContact C-N 3.3Å |
| 334 | E | 61.3 | Low | 83 | Confident | 109 Ų | 109 | 69.1 Ų | 69.1 | 51% | 0.509 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -12.7 | 170.7 | -67.3 | -166.5 | 158.4 | 0 | 0 | 112.1 | R216 Q221 V331 | R216-E334 IonicContact CZ-OE1 3.59Å; R216-E334 IonicContact NH2-OE1 3.49Å; R216-E334 PolarHBondContact NH2-OE1 3.23Å; Q221-E334 PolarHBondContact NE2-OE1 3.32Å; V331-E334 PolarHBondContact O-N 3.46Å |
| 335 | T | 49 | Very low | 81.7 | Confident | 164 Ų | 164 | 71.6 Ų | 71.6 | 100% | 1.006 | 39% | 0.385 | S | S | * | . | trans | -96.9 | 0 | 176.9 | 60.1 | 0 | 0 | 0 | 0 | 112.6 | F332 T333 | F332-T335 PolarHBondContact O-OG1 3.21Å; T333-T335 VanDerWaalsContact C-N 3.3Å |
Retrieved 335 of 335 residues in 98.7 ms
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