| 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 | 73.3 | Confident | 87.7 | Confident | 60 Ų | 60 | 44.3 Ų | 44.3 | 30% | 0.296 | 25% | 0.245 | S | C | . | . | 0 | -52.5 | 0 | -156.2 | -86.7 | -77 | 0 | 0 | 108.2 | L4 L5 W42 I58 | M1-L4 PolarHBondContact O-N 3.23Å; M1-L5 HydrophobicContact CE-CD1 3.66Å; M1-L5 PolarHBondContact O-N 3.33Å; M1-L5 VanDerWaalsContact O-N 3.13Å; M1-L5 HydrophobicContact SD-CD1 3.21Å; M1-L5 WeakPolarHBondContact SD-CD1 3.08Å; M1-L5 HydrophobicContact SD-CD2 4.12Å; M1-L5 HydrophobicContact SD-CG 3.45Å; M1-L5 WeakPolarHBondContact SD-CG 3.3Å; M1-W42 HydrophobicContact CE-CG 4.13Å; M1-I58 HydrophobicContact CE-CD1 3.78Å; M1-I58 HydrophobicContact CE-CG1 4.44Å | |||
| 2 | D | 81.3 | Confident | 88 | Confident | 90 Ų | 90 | 40.8 Ų | 40.8 | 48% | 0.481 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -43.4 | -45 | 173.8 | -52.7 | -6.4 | 0 | 0 | 0 | 117.7 | L4 L5 G6 L57 | D2-L4 VanDerWaalsContact C-N 3.34Å; D2-L4 PolarHBondContact O-N 3.03Å; D2-L5 PolarHBondContact O-N 3.35Å; D2-G6 PolarHBondContact O-N 3.05Å; D2-L57 HydrophobicContact CB-CD1 3.97Å |
| 3 | P | 85.7 | Confident | 88.3 | Confident | 85 Ų | 85 | 42.3 Ų | 42.3 | 55% | 0.552 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -63.4 | -39.2 | 177.4 | 21.7 | -33.1 | 0 | 0 | 0 | 112.6 | G6 E7 | P3-G6 PolarHBondContact O-N 2.9Å; P3-E7 WeakPolarHBondContact O-CG 3.34Å; P3-E7 PolarHBondContact O-N 3.29Å |
| 4 | L | 87 | Confident | 88.5 | Confident | 34 Ų | 34 | 45 Ų | 45 | 18% | 0.178 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -71.6 | -37.4 | 178 | -67.8 | 169.2 | 0 | 0 | 0 | 112 | M1 D2 G6 E7 A8 L35 R38 | M1-L4 PolarHBondContact O-N 3.23Å; D2-L4 VanDerWaalsContact C-N 3.34Å; D2-L4 PolarHBondContact O-N 3.03Å; L4-G6 VanDerWaalsContact C-N 3.3Å; L4-E7 PolarHBondContact O-N 3.34Å; L4-A8 WeakPolarHBondContact O-CB 3.47Å; L4-A8 PolarHBondContact O-N 3.29Å; L4-L35 HydrophobicContact CB-CD1 3.91Å; L4-R38 HydrophobicContact CD1-CG 4.49Å |
| 5 | L | 87.2 | Confident | 88.7 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.5 | -45.1 | 171 | -77.8 | 173.6 | 0 | 0 | 0 | 110.8 | M1 D2 A8 L9 L35 L57 I58 L61 | M1-L5 HydrophobicContact CE-CD1 3.66Å; M1-L5 PolarHBondContact O-N 3.33Å; M1-L5 VanDerWaalsContact O-N 3.13Å; M1-L5 HydrophobicContact SD-CD1 3.21Å; M1-L5 WeakPolarHBondContact SD-CD1 3.08Å; M1-L5 HydrophobicContact SD-CD2 4.12Å; M1-L5 HydrophobicContact SD-CG 3.45Å; M1-L5 WeakPolarHBondContact SD-CG 3.3Å; D2-L5 PolarHBondContact O-N 3.35Å; L5-A8 PolarHBondContact O-N 3.35Å; L5-L9 WeakPolarHBondContact O-CB 3.5Å; L5-L9 PolarHBondContact O-N 3.43Å; L5-L35 HydrophobicContact CD2-CD1 3.97Å; L5-L35 HydrophobicContact CD2-CD2 3.9Å; L5-L35 HydrophobicContact CG-CD1 4.18Å; L5-L57 HydrophobicContact CB-CB 4.27Å; L5-L57 HydrophobicContact CD1-CB 4.02Å; L5-I58 HydrophobicContact CD1-CD1 4.23Å; L5-I58 HydrophobicContact CD1-CG1 3.5Å; L5-I58 HydrophobicContact CD2-CG1 3.96Å; L5-I58 HydrophobicContact CG-CG1 4.41Å; L5-L61 HydrophobicContact CD2-CD2 3.6Å |
| 6 | G | 89.8 | Confident | 88.6 | Confident | 22 Ų | 22 | 43.7 Ų | 43.7 | 23% | 0.227 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.3 | -45.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | D2 P3 L4 L9 M10 | D2-G6 PolarHBondContact O-N 3.05Å; P3-G6 PolarHBondContact O-N 2.9Å; L4-G6 VanDerWaalsContact C-N 3.3Å; G6-L9 PolarHBondContact O-N 3.27Å; G6-M10 WeakPolarHBondContact O-CB 3.44Å; G6-M10 WeakPolarHBondContact O-CG 3.39Å; G6-M10 PolarHBondContact O-N 3.49Å |
| 7 | E | 91.6 | Very high | 88.5 | Confident | 82 Ų | 82 | 52.3 Ų | 52.3 | 38% | 0.383 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62 | -46.6 | 176.6 | -73.9 | 174.7 | -148.8 | 0 | 0 | 112.5 | P3 L4 M10 A11 K31 | P3-E7 WeakPolarHBondContact O-CG 3.34Å; P3-E7 PolarHBondContact O-N 3.29Å; L4-E7 PolarHBondContact O-N 3.34Å; E7-M10 PolarHBondContact O-N 3.33Å; E7-A11 WeakPolarHBondContact O-CB 3.38Å; E7-A11 PolarHBondContact O-N 3.22Å; E7-K31 HydrophobicContact CB-CD 4.13Å; E7-K31 IonicContact OE2-NZ 2.71Å; E7-K31 PolarHBondContact OE2-NZ 3.35Å |
| 8 | A | 91.4 | Very high | 88.4 | Confident | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.008 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.1 | -42.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | L4 L5 A11 A12 K31 L35 L61 | L4-A8 WeakPolarHBondContact O-CB 3.47Å; L4-A8 PolarHBondContact O-N 3.29Å; L5-A8 PolarHBondContact O-N 3.35Å; A8-A11 PolarHBondContact O-N 2.95Å; A8-A12 WeakPolarHBondContact O-CB 3.48Å; A8-A12 PolarHBondContact O-N 3.33Å; A8-K31 HydrophobicContact CB-CB 4.14Å; A8-L35 HydrophobicContact CB-CD2 3.89Å; A8-L61 HydrophobicContact CB-CD1 4.3Å |
| 9 | L | 92.8 | Very high | 88 | Confident | 13 Ų | 13 | 52.4 Ų | 52.4 | 7% | 0.068 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.1 | -45.9 | 175.3 | 177.6 | 64 | 0 | 0 | 0 | 111.1 | L5 G6 A12 Q13 K60 L61 Q64 | L5-L9 WeakPolarHBondContact O-CB 3.5Å; L5-L9 PolarHBondContact O-N 3.43Å; G6-L9 PolarHBondContact O-N 3.27Å; L9-A12 PolarHBondContact O-N 3.14Å; L9-Q13 HydrophobicContact CD1-CG 4.37Å; L9-Q13 WeakPolarHBondContact O-CB 3.42Å; L9-Q13 VanDerWaalsContact O-CG 3.27Å; L9-Q13 WeakPolarHBondContact O-CG 3.33Å; L9-Q13 PolarHBondContact O-N 3.1Å; L9-K60 HydrophobicContact CD1-CB 4.25Å; L9-K60 HydrophobicContact CD2-CB 3.94Å; L9-K60 HydrophobicContact CD2-CD 4.44Å; L9-L61 HydrophobicContact CB-CD1 4.36Å; L9-Q64 HydrophobicContact CD1-CB 3.79Å; L9-Q64 HydrophobicContact CD1-CG 4.15Å |
| 10 | M | 92.2 | Very high | 87.7 | Confident | 97 Ų | 97 | 55.2 Ų | 55.2 | 48% | 0.478 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.3 | -42.9 | 177.6 | -74.8 | -63 | -55.7 | 0 | 0 | 111.9 | G6 E7 Q13 Q14 | G6-M10 WeakPolarHBondContact O-CB 3.44Å; G6-M10 WeakPolarHBondContact O-CG 3.39Å; G6-M10 PolarHBondContact O-N 3.49Å; E7-M10 PolarHBondContact O-N 3.33Å; M10-Q13 PolarHBondContact O-N 3.09Å; M10-Q14 WeakPolarHBondContact O-CB 3.44Å; M10-Q14 VanDerWaalsContact O-CG 3.28Å; M10-Q14 WeakPolarHBondContact O-CG 3.35Å; M10-Q14 PolarHBondContact O-N 3.28Å |
| 11 | A | 92.1 | Very high | 87.4 | Confident | 2 Ų | 2 | 55.3 Ų | 55.3 | 2% | 0.017 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.1 | -46 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | E7 A8 Q13 Q14 Y15 V28 K31 | E7-A11 WeakPolarHBondContact O-CB 3.38Å; E7-A11 PolarHBondContact O-N 3.22Å; A8-A11 PolarHBondContact O-N 2.95Å; A11-Q13 VanDerWaalsContact C-N 3.33Å; A11-Q13 PolarHBondContact O-N 3.48Å; A11-Q14 PolarHBondContact O-N 2.92Å; A11-Y15 WeakPolarHBondContact O-CB 3.43Å; A11-Y15 PolarHBondContact O-N 3.42Å; A11-V28 HydrophobicContact CB-CG2 4.22Å; A11-V28 WeakPolarHBondContact O-CG2 3.21Å; A11-K31 HydrophobicContact CB-CB 4.3Å; A11-K31 HydrophobicContact CB-CG 4.06Å |
| 12 | A | 91.5 | Very high | 87.8 | Confident | 2 Ų | 2 | 58.3 Ų | 58.3 | 2% | 0.017 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.3 | -36.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A8 L9 F16 Q64 L68 | A8-A12 WeakPolarHBondContact O-CB 3.48Å; A8-A12 PolarHBondContact O-N 3.33Å; L9-A12 PolarHBondContact O-N 3.14Å; A12-F16 WeakPolarHBondContact O-CB 3.46Å; A12-F16 PolarHBondContact O-N 2.99Å; A12-Q64 HydrophobicContact CB-CG 3.68Å; A12-Q64 PolarHBondContact O-NE2 3.27Å; A12-L68 HydrophobicContact CB-CD1 4.43Å |
| 13 | Q | 92.7 | Very high | 88.1 | Confident | 61 Ų | 61 | 57.2 Ų | 57.2 | 29% | 0.285 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -68.1 | -45.5 | 173.9 | -75.4 | 175.4 | -11.2 | 0 | 0 | 112.1 | L9 M10 A11 Y15 F16 Y17 Q64 | L9-Q13 HydrophobicContact CD1-CG 4.37Å; L9-Q13 WeakPolarHBondContact O-CB 3.42Å; L9-Q13 VanDerWaalsContact O-CG 3.27Å; L9-Q13 WeakPolarHBondContact O-CG 3.33Å; L9-Q13 PolarHBondContact O-N 3.1Å; M10-Q13 PolarHBondContact O-N 3.09Å; A11-Q13 VanDerWaalsContact C-N 3.33Å; A11-Q13 PolarHBondContact O-N 3.48Å; Q13-Y15 VanDerWaalsContact C-N 3.34Å; Q13-Y15 PolarHBondContact O-N 3.33Å; Q13-F16 PolarHBondContact O-N 2.91Å; Q13-Y17 WeakPolarHBondContact O-CD2 3.41Å; Q13-Y17 PolarHBondContact O-N 3.37Å; Q13-Q64 HydrophobicContact CG-CG 4.05Å |
| 14 | Q | 91.1 | Very high | 88.2 | Confident | 80 Ų | 80 | 55.8 Ų | 55.8 | 37% | 0.374 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.1 | -44.9 | 178 | -75.9 | 173.7 | -10.6 | 0 | 0 | 111.8 | M10 A11 Y17 N18 F24 | M10-Q14 WeakPolarHBondContact O-CB 3.44Å; M10-Q14 VanDerWaalsContact O-CG 3.28Å; M10-Q14 WeakPolarHBondContact O-CG 3.35Å; M10-Q14 PolarHBondContact O-N 3.28Å; A11-Q14 PolarHBondContact O-N 2.92Å; Q14-Y17 PolarHBondContact O-N 2.94Å; Q14-N18 PolarHBondContact O-N 3.31Å; Q14-F24 HydrophobicContact CB-CD1 4.14Å; Q14-F24 HydrophobicContact CB-CE1 4.37Å |
| 15 | Y | 90.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.6 | -44 | 175 | 178.7 | -100.5 | 0 | 0 | 0 | 112.2 | A11 Q13 Y17 N18 P19 F24 V28 L68 S75 V78 | A11-Y15 WeakPolarHBondContact O-CB 3.43Å; A11-Y15 PolarHBondContact O-N 3.42Å; Q13-Y15 VanDerWaalsContact C-N 3.34Å; Q13-Y15 PolarHBondContact O-N 3.33Å; Y15-Y17 PolarHBondContact O-N 3.16Å; Y15-N18 CarbonylContact O-C 3.53Å; Y15-N18 PolarHBondContact O-N 3.24Å; Y15-P19 HydrophobicContact CE1-CB 4.33Å; Y15-P19 HydrophobicContact CE2-CB 4.19Å; Y15-P19 WeakPolarHBondContact CE2-O 3.45Å; Y15-P19 WeakPolarHBondContact O-CA 3.46Å; Y15-F24 HydrophobicContact CD2-CB 4.1Å; Y15-V28 VanDerWaalsContact CB-CG2 3.46Å; Y15-V28 HydrophobicContact CG-CG2 3.98Å; Y15-L68 HydrophobicContact CD1-CD1 3.63Å; Y15-L68 HydrophobicContact CD1-CG 4.25Å; Y15-L68 HydrophobicContact CE1-CD1 4.17Å; Y15-L68 HydrophobicContact CE1-CG 4.35Å; Y15-S75 WeakPolarHBondContact OH-CB 3.35Å; Y15-S75 PolarHBondContact OH-N 3.3Å; Y15-S75 PolarHBondContact OH-OG 3.45Å; Y15-V78 HydrophobicContact CD1-CG1 4.42Å; Y15-V78 HydrophobicContact CE1-CB 4.48Å; Y15-V78 HydrophobicContact CE1-CG1 4.14Å; Y15-V78 HydrophobicContact CE1-CG2 4.29Å; Y15-V78 HydrophobicContact CE2-CG2 4.22Å |
| 16 | F | 88 | Confident | 88.3 | Confident | 69 Ų | 69 | 57.4 Ų | 57.4 | 30% | 0.303 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -56.4 | -36.8 | 178.8 | -177.1 | -89.1 | 0 | 0 | 0 | 112.6 | A12 Q13 Q71 | A12-F16 WeakPolarHBondContact O-CB 3.46Å; A12-F16 PolarHBondContact O-N 2.99Å; Q13-F16 PolarHBondContact O-N 2.91Å; F16-Q71 HydrophobicContact CD2-CG 3.92Å; F16-Q71 HydrophobicContact CE2-CG 3.78Å; F16-Q71 VanDerWaalsContact CE2-NE2 3.27Å; F16-Q71 PolarHBondContact O-NE2 3.21Å |
| 17 | Y | 86.6 | Confident | 88.4 | Confident | 190 Ų | 190 | 58.5 Ų | 58.5 | 75% | 0.745 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -79.2 | -23.9 | 176.9 | -72 | -65.6 | 0 | 0 | 0 | 114.4 | Q13 Q14 Y15 | Q13-Y17 WeakPolarHBondContact O-CD2 3.41Å; Q13-Y17 PolarHBondContact O-N 3.37Å; Q14-Y17 PolarHBondContact O-N 2.94Å; Y15-Y17 PolarHBondContact O-N 3.16Å |
| 18 | N | 86 | Confident | 88.3 | Confident | 67 Ų | 67 | 54.7 Ų | 54.7 | 36% | 0.358 | 29% | 0.285 | S | S | . | . | trans | -142.6 | 71.8 | -179.4 | -162.3 | 11.2 | 0 | 0 | 0 | 112 | Q14 Y15 T20 D21 F24 | Q14-N18 PolarHBondContact O-N 3.31Å; Y15-N18 CarbonylContact O-C 3.53Å; Y15-N18 PolarHBondContact O-N 3.24Å; N18-T20 PolarHBondContact O-N 3.17Å; N18-T20 PolarHBondContact OD1-OG1 3.21Å; N18-D21 PolarHBondContact O-N 2.98Å; N18-F24 HydrophobicContact CB-CD2 3.98Å; N18-F24 HydrophobicContact CB-CE2 3.96Å | ||
| 19 | P | 81.8 | Confident | 88.3 | Confident | 40 Ų | 40 | 57.7 Ų | 57.7 | 26% | 0.26 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -13.4 | -171 | 27.9 | -35.5 | 0 | 0 | 0 | 114 | Y15 | Y15-P19 HydrophobicContact CE1-CB 4.33Å; Y15-P19 HydrophobicContact CE2-CB 4.19Å; Y15-P19 WeakPolarHBondContact CE2-O 3.45Å; Y15-P19 WeakPolarHBondContact O-CA 3.46Å |
| 20 | T | 80.6 | Confident | 88.3 | Confident | 107 Ų | 107 | 62.1 Ų | 62.1 | 66% | 0.656 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -11 | -178.2 | 55.8 | 0 | 0 | 0 | 0 | 113.6 | N18 | N18-T20 PolarHBondContact O-N 3.17Å; N18-T20 PolarHBondContact OD1-OG1 3.21Å |
| 21 | D | 82.3 | Confident | 88.3 | Confident | 58 Ų | 58 | 59.7 Ų | 59.7 | 31% | 0.31 | 31% | 0.306 | S | S | . | . | trans | -90.6 | 111.9 | 179.5 | -169.5 | -26.2 | 0 | 0 | 0 | 111.1 | N18 S23 F24 S25 | N18-D21 PolarHBondContact O-N 2.98Å; D21-S23 PolarHBondContact O-N 3.49Å; D21-S23 VanDerWaalsContact O-N 3.14Å; D21-S23 VanDerWaalsContact OD1-CB 3.3Å; D21-S23 WeakPolarHBondContact OD1-CB 3.47Å; D21-S23 PolarHBondContact OD1-N 2.95Å; D21-S23 PolarHBondContact OD1-OG 3.32Å; D21-S23 PolarHBondContact OD2-OG 2.93Å; D21-F24 HydrophobicContact CB-CD2 3.61Å; D21-F24 HydrophobicContact CB-CE2 4.01Å; D21-F24 HydrophobicContact CB-CG 4.44Å; D21-F24 PolarHBondContact O-N 3.04Å; D21-S25 PolarHBondContact O-N 3.39Å | ||
| 22 | N | 82.5 | Confident | 88.2 | Confident | 124 Ų | 124 | 59.9 Ų | 59.9 | 66% | 0.663 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -61.5 | -20.5 | -180 | -70.4 | -22.6 | 0 | 0 | 0 | 113.9 | F24 S25 S26 | N22-F24 VanDerWaalsContact C-N 3.35Å; N22-S25 WeakPolarHBondContact CA-OG 3.43Å; N22-S25 PolarHBondContact O-OG 3.39Å; N22-S26 PolarHBondContact O-N 3.36Å; N22-S26 PolarHBondContact O-OG 3.2Å |
| 23 | S | 86.6 | Confident | 88.1 | Confident | 67 Ų | 67 | 65.1 Ų | 65.1 | 47% | 0.469 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -70 | -35.3 | 175.3 | 69 | 0 | 0 | 0 | 0 | 111.6 | D21 N27 | D21-S23 PolarHBondContact O-N 3.49Å; D21-S23 VanDerWaalsContact O-N 3.14Å; D21-S23 VanDerWaalsContact OD1-CB 3.3Å; D21-S23 WeakPolarHBondContact OD1-CB 3.47Å; D21-S23 PolarHBondContact OD1-N 2.95Å; D21-S23 PolarHBondContact OD1-OG 3.32Å; D21-S23 PolarHBondContact OD2-OG 2.93Å; S23-N27 WeakPolarHBondContact O-CB 3.39Å; S23-N27 PolarHBondContact O-N 3.22Å; S23-N27 VanDerWaalsContact O-N 3.15Å |
| 24 | F | 88.4 | Confident | 87.9 | Confident | 54 Ų | 54 | 66.2 Ų | 66.2 | 24% | 0.237 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -75.5 | -36 | 177.1 | -62.9 | -43.8 | 0 | 0 | 0 | 112.3 | Q14 Y15 N18 D21 N22 N27 V28 | Q14-F24 HydrophobicContact CB-CD1 4.14Å; Q14-F24 HydrophobicContact CB-CE1 4.37Å; Y15-F24 HydrophobicContact CD2-CB 4.1Å; N18-F24 HydrophobicContact CB-CD2 3.98Å; N18-F24 HydrophobicContact CB-CE2 3.96Å; D21-F24 HydrophobicContact CB-CD2 3.61Å; D21-F24 HydrophobicContact CB-CE2 4.01Å; D21-F24 HydrophobicContact CB-CG 4.44Å; D21-F24 PolarHBondContact O-N 3.04Å; N22-F24 VanDerWaalsContact C-N 3.35Å; F24-N27 PolarHBondContact O-N 3.23Å; F24-V28 WeakPolarHBondContact O-CG2 3.41Å; F24-V28 PolarHBondContact O-N 3.31Å |
| 25 | S | 86.8 | Confident | 87.9 | Confident | 5 Ų | 5 | 62.4 Ų | 62.4 | 4% | 0.035 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.2 | -47.4 | 175.1 | 59.9 | 0 | 0 | 0 | 0 | 111.6 | D21 N22 N27 V28 E29 | D21-S25 PolarHBondContact O-N 3.39Å; N22-S25 WeakPolarHBondContact CA-OG 3.43Å; N22-S25 PolarHBondContact O-OG 3.39Å; S25-N27 VanDerWaalsContact C-N 3.29Å; S25-N27 PolarHBondContact O-N 2.86Å; S25-V28 PolarHBondContact O-N 3.08Å; S25-E29 PolarHBondContact O-N 3.46Å; S25-E29 VanDerWaalsContact O-N 3.11Å |
| 26 | S | 88.8 | Confident | 87.8 | Confident | 65 Ų | 65 | 64 Ų | 64 | 46% | 0.455 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.9 | -38 | 176.9 | -52.1 | 0 | 0 | 0 | 0 | 111.8 | N22 E30 | N22-S26 PolarHBondContact O-N 3.36Å; N22-S26 PolarHBondContact O-OG 3.2Å; S26-E30 PolarHBondContact O-N 2.94Å |
| 27 | N | 91.5 | Very high | 87.5 | Confident | 45 Ų | 45 | 66.2 Ų | 66.2 | 24% | 0.241 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -67.1 | -40.3 | 176.9 | -171.4 | 29.6 | 0 | 0 | 0 | 111.9 | S23 F24 S25 K31 | S23-N27 WeakPolarHBondContact O-CB 3.39Å; S23-N27 PolarHBondContact O-N 3.22Å; S23-N27 VanDerWaalsContact O-N 3.15Å; F24-N27 PolarHBondContact O-N 3.23Å; S25-N27 VanDerWaalsContact C-N 3.29Å; S25-N27 PolarHBondContact O-N 2.86Å; N27-K31 WeakPolarHBondContact O-CB 3.35Å; N27-K31 WeakPolarHBondContact O-CG 3.34Å; N27-K31 PolarHBondContact O-N 2.97Å |
| 28 | V | 91 | Very high | 87.4 | Confident | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.006 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.2 | -45.3 | 176.5 | -179.7 | 0 | 0 | 0 | 0 | 111 | A11 Y15 F24 S25 K31 L32 L68 V78 | A11-V28 HydrophobicContact CB-CG2 4.22Å; A11-V28 WeakPolarHBondContact O-CG2 3.21Å; Y15-V28 VanDerWaalsContact CB-CG2 3.46Å; Y15-V28 HydrophobicContact CG-CG2 3.98Å; F24-V28 WeakPolarHBondContact O-CG2 3.41Å; F24-V28 PolarHBondContact O-N 3.31Å; S25-V28 PolarHBondContact O-N 3.08Å; V28-K31 PolarHBondContact O-N 3.45Å; V28-L32 HydrophobicContact CG1-CD1 3.81Å; V28-L32 HydrophobicContact CG1-CG 4.19Å; V28-L32 WeakPolarHBondContact O-CB 3.42Å; V28-L32 WeakPolarHBondContact O-CG 3.4Å; V28-L32 PolarHBondContact O-N 3.34Å; V28-L68 HydrophobicContact CG1-CD1 4.47Å; V28-V78 HydrophobicContact CB-CG2 4.27Å; V28-V78 HydrophobicContact CG1-CG1 4.08Å |
| 29 | E | 91.2 | Very high | 87.4 | Confident | 65 Ų | 65 | 60.1 Ų | 60.1 | 30% | 0.304 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -55.5 | -56.4 | 176.9 | 178.4 | 177 | -174.3 | 0 | 0 | 111 | S25 K31 L32 E33 S77 A81 | S25-E29 PolarHBondContact O-N 3.46Å; S25-E29 VanDerWaalsContact O-N 3.11Å; E29-K31 VanDerWaalsContact C-N 3.28Å; E29-K31 PolarHBondContact O-N 3.46Å; E29-L32 PolarHBondContact O-N 2.96Å; E29-E33 WeakPolarHBondContact O-CG 3.41Å; E29-E33 PolarHBondContact O-N 2.73Å; E29-S77 WeakPolarHBondContact OE2-CB 3.49Å; E29-A81 HydrophobicContact CB-CB 4.27Å; E29-A81 HydrophobicContact CG-CB 4.22Å |
| 30 | E | 91.6 | Very high | 87.6 | Confident | 106 Ų | 106 | 61.3 Ų | 61.3 | 50% | 0.495 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -57.4 | -40.8 | 179.7 | -170.3 | -166.7 | 152 | 0 | 0 | 111.9 | S26 N34 | S26-E30 PolarHBondContact O-N 2.94Å; E30-N34 VanDerWaalsContact O-CB 3.3Å; E30-N34 WeakPolarHBondContact O-CB 3.42Å; E30-N34 VanDerWaalsContact O-CG 3.25Å; E30-N34 PolarHBondContact O-N 3.35Å; E30-N34 PolarHBondContact O-ND2 3.39Å |
| 31 | K | 92.8 | Very high | 87.8 | Confident | 46 Ų | 46 | 59.4 Ų | 59.4 | 20% | 0.2 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -74.1 | -36.9 | -178.5 | -65.2 | -55.5 | 179.1 | -178.3 | 0 | 113.2 | E7 A8 A11 N27 V28 E29 L35 | E7-K31 HydrophobicContact CB-CD 4.13Å; E7-K31 IonicContact OE2-NZ 2.71Å; E7-K31 PolarHBondContact OE2-NZ 3.35Å; A8-K31 HydrophobicContact CB-CB 4.14Å; A11-K31 HydrophobicContact CB-CB 4.3Å; A11-K31 HydrophobicContact CB-CG 4.06Å; N27-K31 WeakPolarHBondContact O-CB 3.35Å; N27-K31 WeakPolarHBondContact O-CG 3.34Å; N27-K31 PolarHBondContact O-N 2.97Å; V28-K31 PolarHBondContact O-N 3.45Å; E29-K31 VanDerWaalsContact C-N 3.28Å; E29-K31 PolarHBondContact O-N 3.46Å; K31-L35 VanDerWaalsContact O-CB 3.23Å; K31-L35 WeakPolarHBondContact O-CB 3.45Å; K31-L35 PolarHBondContact O-N 2.76Å |
| 32 | L | 90.9 | Very high | 88.1 | Confident | 5 Ų | 5 | 58.7 Ų | 58.7 | 3% | 0.026 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -69 | -41.3 | 175.2 | -73.2 | 178.8 | 0 | 0 | 0 | 111.8 | V28 E29 L35 L36 I65 A81 A82 F85 | V28-L32 HydrophobicContact CG1-CD1 3.81Å; V28-L32 HydrophobicContact CG1-CG 4.19Å; V28-L32 WeakPolarHBondContact O-CB 3.42Å; V28-L32 WeakPolarHBondContact O-CG 3.4Å; V28-L32 PolarHBondContact O-N 3.34Å; E29-L32 PolarHBondContact O-N 2.96Å; L32-L35 PolarHBondContact O-N 3.29Å; L32-L36 PolarHBondContact O-N 2.91Å; L32-I65 HydrophobicContact CD2-CD1 4.23Å; L32-A81 HydrophobicContact CB-CB 4.49Å; L32-A81 HydrophobicContact CD1-CB 4.24Å; L32-A82 HydrophobicContact CD1-CB 4.5Å; L32-F85 HydrophobicContact CD2-CD1 4.47Å; L32-F85 HydrophobicContact CD2-CD2 4.46Å; L32-F85 HydrophobicContact CD2-CG 4.34Å |
| 33 | E | 88.9 | Confident | 88.3 | Confident | 113 Ų | 113 | 52.8 Ų | 52.8 | 53% | 0.528 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.5 | -44.7 | 176 | -72.7 | -172.6 | 164.8 | 0 | 0 | 112.1 | E29 L35 L36 | E29-E33 WeakPolarHBondContact O-CG 3.41Å; E29-E33 PolarHBondContact O-N 2.73Å; E33-L35 VanDerWaalsContact C-N 3.25Å; E33-L35 PolarHBondContact O-N 2.78Å; E33-L36 VanDerWaalsContact O-CB 3.29Å; E33-L36 WeakPolarHBondContact O-CB 3.45Å; E33-L36 PolarHBondContact O-N 3.4Å |
| 34 | N | 88 | Confident | 88.3 | Confident | 83 Ų | 83 | 55.2 Ų | 55.2 | 44% | 0.444 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.4 | -33 | 175.4 | -79.6 | -44.1 | 0 | 0 | 0 | 112.6 | E30 | E30-N34 VanDerWaalsContact O-CB 3.3Å; E30-N34 WeakPolarHBondContact O-CB 3.42Å; E30-N34 VanDerWaalsContact O-CG 3.25Å; E30-N34 PolarHBondContact O-N 3.35Å; E30-N34 PolarHBondContact O-ND2 3.39Å |
| 35 | L | 91.1 | Very high | 88.1 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -74 | -34.4 | 178 | -176.2 | 66.1 | 0 | 0 | 0 | 111.8 | L4 L5 A8 K31 L32 E33 V37 R38 C39 L61 F85 | L4-L35 HydrophobicContact CB-CD1 3.91Å; L5-L35 HydrophobicContact CD2-CD1 3.97Å; L5-L35 HydrophobicContact CD2-CD2 3.9Å; L5-L35 HydrophobicContact CG-CD1 4.18Å; A8-L35 HydrophobicContact CB-CD2 3.89Å; K31-L35 VanDerWaalsContact O-CB 3.23Å; K31-L35 WeakPolarHBondContact O-CB 3.45Å; K31-L35 PolarHBondContact O-N 2.76Å; L32-L35 PolarHBondContact O-N 3.29Å; E33-L35 VanDerWaalsContact C-N 3.25Å; E33-L35 PolarHBondContact O-N 2.78Å; L35-V37 PolarHBondContact O-N 3.4Å; L35-R38 PolarHBondContact O-N 3Å; L35-R38 VanDerWaalsContact O-N 3.1Å; L35-C39 HydrophobicContact CG-CB 4.34Å; L35-C39 VanDerWaalsContact CG-SG 3.53Å; L35-C39 WeakPolarHBondContact O-CB 3.5Å; L35-C39 PolarHBondContact O-N 3.02Å; L35-L61 HydrophobicContact CD2-CD2 3.44Å; L35-L61 VanDerWaalsContact CD2-CD2 3.44Å; L35-F85 HydrophobicContact CB-CE2 4.38Å; L35-F85 HydrophobicContact CD2-CE2 3.76Å; L35-F85 HydrophobicContact CD2-CZ 3.88Å; L35-F85 HydrophobicContact CG-CE2 3.96Å; L35-F85 HydrophobicContact CG-CZ 4.47Å |
| 36 | L | 87.8 | Confident | 88.2 | Confident | 34 Ų | 34 | 56.8 Ų | 56.8 | 18% | 0.178 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -49.5 | -50.6 | -173.8 | -175.1 | 58.2 | 0 | 0 | 0 | 113.4 | L32 E33 R38 C39 H40 F85 D88 | L32-L36 PolarHBondContact O-N 2.91Å; E33-L36 VanDerWaalsContact O-CB 3.29Å; E33-L36 WeakPolarHBondContact O-CB 3.45Å; E33-L36 PolarHBondContact O-N 3.4Å; L36-R38 VanDerWaalsContact C-N 3.31Å; L36-R38 PolarHBondContact O-N 3.1Å; L36-C39 PolarHBondContact O-N 3.18Å; L36-H40 VanDerWaalsContact O-CB 3.29Å; L36-H40 WeakPolarHBondContact O-CB 3.3Å; L36-H40 PolarHBondContact O-N 2.65Å; L36-F85 HydrophobicContact CB-CD2 4.41Å; L36-F85 HydrophobicContact CD1-CD2 3.98Å; L36-D88 HydrophobicContact CD1-CB 3.72Å; L36-D88 WeakPolarHBondContact CD2-OD2 3.26Å |
| 37 | V | 83.2 | Confident | 88 | Confident | 114 Ų | 114 | 55.2 Ų | 55.2 | 69% | 0.691 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -59.6 | -42.3 | -177.5 | 179.4 | 0 | 0 | 0 | 0 | 111.6 | L35 S41 | L35-V37 PolarHBondContact O-N 3.4Å; V37-S41 PolarHBondContact O-N 3.18Å |
| 38 | R | 84.1 | Confident | 87.8 | Confident | 126 Ų | 126 | 54 Ų | 54 | 48% | 0.475 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -77.4 | -40 | 179.5 | -71 | -165.5 | -177.9 | 171.3 | -7.1 | 111.9 | L4 L35 L36 H40 S41 W42 | L4-R38 HydrophobicContact CD1-CG 4.49Å; L35-R38 PolarHBondContact O-N 3Å; L35-R38 VanDerWaalsContact O-N 3.1Å; L36-R38 VanDerWaalsContact C-N 3.31Å; L36-R38 PolarHBondContact O-N 3.1Å; R38-H40 VanDerWaalsContact C-N 3.28Å; R38-H40 PolarHBondContact O-N 3.5Å; R38-S41 PolarHBondContact O-N 3.08Å; R38-S41 PolarHBondContact O-OG 2.73Å; R38-W42 PolarHBondContact O-N 2.67Å |
| 39 | C | 85.4 | Confident | 87.6 | Confident | 3 Ų | 3 | 56.5 Ų | 56.5 | 2% | 0.02 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.1 | -32.5 | 175.7 | -88.7 | 0 | 0 | 0 | 0 | 112.2 | L35 L36 W42 A43 F85 I89 | L35-C39 HydrophobicContact CG-CB 4.34Å; L35-C39 VanDerWaalsContact CG-SG 3.53Å; L35-C39 WeakPolarHBondContact O-CB 3.5Å; L35-C39 PolarHBondContact O-N 3.02Å; L36-C39 PolarHBondContact O-N 3.18Å; C39-W42 PolarHBondContact O-N 3.25Å; C39-A43 WeakPolarHBondContact O-CB 3.33Å; C39-A43 PolarHBondContact O-N 3.43Å; C39-F85 HydrophobicContact CB-CE2 3.85Å; C39-F85 HydrophobicContact CB-CZ 4.19Å; C39-I89 HydrophobicContact CB-CG2 4.07Å |
| 40 | H | 85.2 | Confident | 87.4 | Confident | 65 Ų | 65 | 55.6 Ų | 55.6 | 30% | 0.301 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61 | -46 | 171.8 | -170.9 | 64.8 | 0 | 0 | 0 | 111.7 | L36 R38 A43 K44 A92 | L36-H40 VanDerWaalsContact O-CB 3.29Å; L36-H40 WeakPolarHBondContact O-CB 3.3Å; L36-H40 PolarHBondContact O-N 2.65Å; R38-H40 VanDerWaalsContact C-N 3.28Å; R38-H40 PolarHBondContact O-N 3.5Å; H40-A43 PolarHBondContact O-N 3.44Å; H40-K44 WeakPolarHBondContact NE2-CE 3.21Å; H40-K44 WeakPolarHBondContact O-CG 3.28Å; H40-K44 PolarHBondContact O-N 2.92Å; H40-K44 VanDerWaalsContact O-N 3.12Å; H40-A92 WeakPolarHBondContact ND1-CB 3.28Å |
| 41 | S | 86.5 | Confident | 87.2 | Confident | 68 Ų | 68 | 53.5 Ų | 53.5 | 48% | 0.476 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.8 | -39.2 | 175.9 | 69.3 | 0 | 0 | 0 | 0 | 112.7 | V37 R38 C45 | V37-S41 PolarHBondContact O-N 3.18Å; R38-S41 PolarHBondContact O-N 3.08Å; R38-S41 PolarHBondContact O-OG 2.73Å; S41-C45 PolarHBondContact O-SG 3.28Å; S41-C45 VanDerWaalsContact O-SG 3.36Å |
| 42 | W | 88.6 | Confident | 87.1 | Confident | 42 Ų | 42 | 51.3 Ų | 51.3 | 16% | 0.159 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.8 | -47.8 | 175 | 163.1 | 75.2 | 0 | 0 | 0 | 111.4 | M1 R38 C39 K44 C45 V46 I52 I58 F62 | M1-W42 HydrophobicContact CE-CG 4.13Å; R38-W42 PolarHBondContact O-N 2.67Å; C39-W42 PolarHBondContact O-N 3.25Å; W42-K44 VanDerWaalsContact C-N 3.27Å; W42-K44 PolarHBondContact O-N 3.32Å; W42-C45 WeakPolarHBondContact O-CA 3.3Å; W42-C45 WeakPolarHBondContact O-CB 3.37Å; W42-C45 PolarHBondContact O-N 3.47Å; W42-V46 HydrophobicContact CD2-CG2 4.26Å; W42-V46 HydrophobicContact CH2-CG2 4.14Å; W42-V46 HydrophobicContact CZ2-CG2 3.61Å; W42-V46 PolarHBondContact O-N 2.79Å; W42-I52 HydrophobicContact CH2-CG1 4.35Å; W42-I52 HydrophobicContact CH2-CG2 4.45Å; W42-I52 HydrophobicContact CZ2-CG1 4.25Å; W42-I58 HydrophobicContact CD2-CD1 3.72Å; W42-I58 HydrophobicContact CE3-CD1 4.09Å; W42-I58 HydrophobicContact CG-CD1 4.46Å; W42-I58 HydrophobicContact CH2-CD1 3.64Å; W42-I58 HydrophobicContact CH2-CG2 3.7Å; W42-I58 HydrophobicContact CZ2-CD1 3.2Å; W42-I58 HydrophobicContact CZ2-CG1 4.48Å; W42-I58 HydrophobicContact CZ2-CG2 4.09Å; W42-I58 HydrophobicContact CZ3-CD1 4.05Å; W42-I58 HydrophobicContact CZ3-CG2 4.35Å; W42-F62 HydrophobicContact CH2-CE2 4.3Å; W42-F62 HydrophobicContact CH2-CZ 4.12Å; W42-F62 HydrophobicContact CZ3-CZ 4.11Å |
| 43 | A | 85.5 | Confident | 87 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.8 | -41.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | C39 H40 C45 V46 I89 N93 V96 | C39-A43 WeakPolarHBondContact O-CB 3.33Å; C39-A43 PolarHBondContact O-N 3.43Å; H40-A43 PolarHBondContact O-N 3.44Å; A43-C45 PolarHBondContact O-N 2.85Å; A43-V46 PolarHBondContact O-N 2.66Å; A43-V46 VanDerWaalsContact O-N 3.13Å; A43-I89 HydrophobicContact CB-CB 4.3Å; A43-N93 VanDerWaalsContact O-CB 3.28Å; A43-N93 WeakPolarHBondContact O-CB 3.19Å; A43-N93 PolarHBondContact O-ND2 2.69Å; A43-V96 HydrophobicContact CB-CG2 4.3Å |
| 44 | K | 85.9 | Confident | 86.9 | Confident | 118 Ų | 118 | 54.7 Ų | 54.7 | 51% | 0.513 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -58.7 | -28.3 | 174.7 | -75.4 | -179.4 | 176.9 | -172.6 | 0 | 114.1 | H40 W42 A92 G363 | H40-K44 WeakPolarHBondContact NE2-CE 3.21Å; H40-K44 WeakPolarHBondContact O-CG 3.28Å; H40-K44 PolarHBondContact O-N 2.92Å; H40-K44 VanDerWaalsContact O-N 3.12Å; W42-K44 VanDerWaalsContact C-N 3.27Å; W42-K44 PolarHBondContact O-N 3.32Å; K44-A92 HydrophobicContact CG-CB 4.34Å; K44-G363 WeakPolarHBondContact O-CA 3.19Å |
| 45 | C | 86 | Confident | 86.9 | Confident | 91 Ų | 91 | 52.3 Ų | 52.3 | 62% | 0.615 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -88.9 | -8.6 | -179.7 | -61.6 | 0 | 0 | 0 | 0 | 113.7 | S41 W42 A43 I47 | S41-C45 PolarHBondContact O-SG 3.28Å; S41-C45 VanDerWaalsContact O-SG 3.36Å; W42-C45 WeakPolarHBondContact O-CA 3.3Å; W42-C45 WeakPolarHBondContact O-CB 3.37Å; W42-C45 PolarHBondContact O-N 3.47Å; A43-C45 PolarHBondContact O-N 2.85Å; C45-I47 PolarHBondContact O-N 3.42Å |
| 46 | V | 88.2 | Confident | 86.8 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.012 | 31% | 0.309 | C | S | . | . | trans | -70.7 | 126 | 179.2 | 175.8 | 0 | 0 | 0 | 0 | 109.6 | W42 A43 I52 N93 V95 V96 G363 G364 | W42-V46 HydrophobicContact CD2-CG2 4.26Å; W42-V46 HydrophobicContact CH2-CG2 4.14Å; W42-V46 HydrophobicContact CZ2-CG2 3.61Å; W42-V46 PolarHBondContact O-N 2.79Å; A43-V46 PolarHBondContact O-N 2.66Å; A43-V46 VanDerWaalsContact O-N 3.13Å; V46-I52 HydrophobicContact CG1-CD1 4.03Å; V46-I52 HydrophobicContact CG1-CG1 3.77Å; V46-I52 HydrophobicContact CG2-CG1 4.45Å; V46-N93 PolarHBondContact O-ND2 2.95Å; V46-V95 HydrophobicContact CG1-CG1 4.13Å; V46-V96 HydrophobicContact CB-CG2 4.18Å; V46-V96 HydrophobicContact CG1-CG2 4.26Å; V46-V96 HydrophobicContact CG2-CG2 4.19Å; V46-G363 CarbonylContact O-C 3.5Å; V46-G363 WeakPolarHBondContact O-CA 3.4Å; V46-G364 PolarHBondContact O-N 3.27Å | ||
| 47 | I | 85.5 | Confident | 86.9 | Confident | 31 Ų | 31 | 56 Ų | 56 | 16% | 0.159 | 31% | 0.314 | C | S | . | . | trans | -107.4 | -35.2 | -179 | -59.6 | 171.3 | 0 | 0 | 0 | 111.1 | C45 D360 L417 | C45-I47 PolarHBondContact O-N 3.42Å; I47-D360 WeakPolarHBondContact CD1-O 3.26Å; I47-L417 HydrophobicContact CG2-CD1 3.63Å; I47-L417 HydrophobicContact CG2-CD2 3.43Å; I47-L417 VanDerWaalsContact CG2-CD2 3.43Å; I47-L417 HydrophobicContact CG2-CG 3.59Å | ||
| 48 | A | 86.3 | Confident | 87.2 | Confident | 21 Ų | 21 | 50.7 Ų | 50.7 | 17% | 0.174 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -139.3 | 155.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | S50 Q51 E416 | A48-S50 WeakPolarHBondContact CB-OG 3.27Å; A48-S50 PolarHBondContact O-N 2.69Å; A48-Q51 WeakPolarHBondContact O-CB 3.34Å; A48-Q51 PolarHBondContact O-N 3.4Å; A48-Q51 VanDerWaalsContact O-N 3.14Å; A48-E416 HydrophobicContact CB-CB 4.34Å |
| 49 | E | 87 | Confident | 87.6 | Confident | 52 Ų | 52 | 46.2 Ų | 46.2 | 24% | 0.243 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.3 | -33.5 | 179.4 | -62.8 | -170.3 | 175.1 | 0 | 0 | 112.5 | Q51 I52 E53 V95 Y99 H103 | E49-Q51 PolarHBondContact O-N 2.78Å; E49-Q51 VanDerWaalsContact O-N 3.17Å; E49-I52 WeakPolarHBondContact O-CA 3.32Å; E49-I52 WeakPolarHBondContact O-CB 3.29Å; E49-I52 PolarHBondContact O-N 3.18Å; E49-E53 PolarHBondContact O-N 2.93Å; E49-E53 VanDerWaalsContact O-N 3.09Å; E49-V95 HydrophobicContact CG-CG1 3.96Å; E49-Y99 HydrophobicContact CB-CD2 4.1Å; E49-Y99 HydrophobicContact CG-CD2 4.37Å; E49-H103 IonicContact OE2-CD2 3.98Å; E49-H103 IonicContact OE2-NE2 3.21Å; E49-H103 PolarHBondContact OE2-NE2 3.23Å |
| 50 | S | 86.4 | Confident | 88 | Confident | 47 Ų | 47 | 51.8 Ų | 51.8 | 33% | 0.329 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -54.3 | -33.3 | 174.5 | 47.8 | 0 | 0 | 0 | 0 | 113.2 | A48 I52 E53 A54 E416 | A48-S50 WeakPolarHBondContact CB-OG 3.27Å; A48-S50 PolarHBondContact O-N 2.69Å; S50-I52 VanDerWaalsContact C-N 3.3Å; S50-I52 PolarHBondContact O-N 3.44Å; S50-E53 PolarHBondContact O-N 2.78Å; S50-A54 WeakPolarHBondContact O-CB 3.39Å; S50-A54 PolarHBondContact O-N 3.44Å; S50-E416 WeakPolarHBondContact CB-OE1 3.32Å; S50-E416 PolarHBondContact OG-OE1 2.88Å |
| 51 | Q | 87.1 | Confident | 88.4 | Confident | 62 Ų | 62 | 48.8 Ų | 48.8 | 29% | 0.29 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -70.9 | -28.7 | 177.7 | -60.2 | -179.6 | -10.6 | 0 | 0 | 112.3 | A48 E49 E416 | A48-Q51 WeakPolarHBondContact O-CB 3.34Å; A48-Q51 PolarHBondContact O-N 3.4Å; A48-Q51 VanDerWaalsContact O-N 3.14Å; E49-Q51 PolarHBondContact O-N 2.78Å; E49-Q51 VanDerWaalsContact O-N 3.17Å; Q51-E416 PolarHBondContact NE2-OE2 3.46Å |
| 52 | I | 90.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -73.3 | -48.1 | 173.8 | -54.3 | 174 | 0 | 0 | 0 | 108.8 | W42 V46 E49 S50 A54 N55 I58 V59 F62 V96 Y99 | W42-I52 HydrophobicContact CH2-CG1 4.35Å; W42-I52 HydrophobicContact CH2-CG2 4.45Å; W42-I52 HydrophobicContact CZ2-CG1 4.25Å; V46-I52 HydrophobicContact CG1-CD1 4.03Å; V46-I52 HydrophobicContact CG1-CG1 3.77Å; V46-I52 HydrophobicContact CG2-CG1 4.45Å; E49-I52 WeakPolarHBondContact O-CA 3.32Å; E49-I52 WeakPolarHBondContact O-CB 3.29Å; E49-I52 PolarHBondContact O-N 3.18Å; S50-I52 VanDerWaalsContact C-N 3.3Å; S50-I52 PolarHBondContact O-N 3.44Å; I52-A54 VanDerWaalsContact C-N 3.29Å; I52-A54 PolarHBondContact O-N 3.27Å; I52-N55 PolarHBondContact O-N 3.47Å; I52-I58 HydrophobicContact CG2-CG2 4.13Å; I52-V59 WeakPolarHBondContact O-CG2 3.04Å; I52-F62 HydrophobicContact CG2-CD2 4.43Å; I52-F62 HydrophobicContact CG2-CE2 3.97Å; I52-V96 HydrophobicContact CD1-CB 4.43Å; I52-V96 HydrophobicContact CD1-CG2 4.06Å; I52-Y99 HydrophobicContact CB-CD1 4.46Å; I52-Y99 HydrophobicContact CB-CG 4.45Å; I52-Y99 HydrophobicContact CD1-CD1 4.08Å; I52-Y99 HydrophobicContact CD1-CD2 4.37Å; I52-Y99 HydrophobicContact CD1-CG 3.76Å; I52-Y99 HydrophobicContact CG2-CD1 3.76Å; I52-Y99 HydrophobicContact CG2-CE1 3.63Å; I52-Y99 HydrophobicContact CG2-CE2 4.45Å; I52-Y99 HydrophobicContact CG2-CG 4.23Å |
| 53 | E | 89.1 | Confident | 89.1 | Confident | 102 Ų | 102 | 46.6 Ų | 46.6 | 48% | 0.477 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.8 | -35.2 | 179.4 | -65.8 | -176.6 | 166.5 | 0 | 0 | 113.1 | E49 S50 N55 Y99 H103 | E49-E53 PolarHBondContact O-N 2.93Å; E49-E53 VanDerWaalsContact O-N 3.09Å; S50-E53 PolarHBondContact O-N 2.78Å; E53-N55 PolarHBondContact O-N 2.9Å; E53-Y99 HydrophobicContact CG-CE2 3.69Å; E53-H103 IonicContact OE1-CE1 3.86Å |
| 54 | A | 87.6 | Confident | 89.5 | Confident | 87 Ų | 87 | 48 Ų | 48 | 72% | 0.719 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -25.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | S50 I52 A56 | S50-A54 WeakPolarHBondContact O-CB 3.39Å; S50-A54 PolarHBondContact O-N 3.44Å; I52-A54 VanDerWaalsContact C-N 3.29Å; I52-A54 PolarHBondContact O-N 3.27Å; A54-A56 PolarHBondContact O-N 2.7Å |
| 55 | N | 88.3 | Confident | 89.9 | Confident | 33 Ų | 33 | 42.5 Ų | 42.5 | 18% | 0.176 | 25% | 0.247 | C | C | . | . | trans | -96.1 | 89.4 | 177.5 | -166.1 | -32.7 | 0 | 0 | 0 | 111.7 | I52 E53 L57 I58 V59 | I52-N55 PolarHBondContact O-N 3.47Å; E53-N55 PolarHBondContact O-N 2.9Å; N55-L57 PolarHBondContact O-N 2.72Å; N55-L57 VanDerWaalsContact O-N 3.09Å; N55-L57 PolarHBondContact OD1-N 3.33Å; N55-I58 HydrophobicContact CB-CB 4.13Å; N55-I58 HydrophobicContact CB-CD1 4Å; N55-I58 HydrophobicContact CB-CG1 4.1Å; N55-I58 WeakPolarHBondContact ND2-CD1 3.15Å; N55-I58 PolarHBondContact O-N 3.37Å; N55-I58 PolarHBondContact OD1-N 3.46Å; N55-V59 PolarHBondContact O-N 2.86Å; N55-V59 VanDerWaalsContact O-N 3.12Å | ||
| 56 | A | 88.8 | Confident | 90.3 | Very high | 59 Ų | 59 | 41.2 Ų | 41.2 | 49% | 0.488 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -56.2 | -29.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | A54 K60 | A54-A56 PolarHBondContact O-N 2.7Å; A56-K60 WeakPolarHBondContact O-CB 3.26Å; A56-K60 WeakPolarHBondContact O-CG 3.33Å; A56-K60 PolarHBondContact O-N 2.97Å; A56-K60 VanDerWaalsContact O-N 3.09Å |
| 57 | L | 89.1 | Confident | 90.5 | Very high | 54 Ų | 54 | 43 Ų | 43 | 28% | 0.283 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -72 | -39.5 | 177.6 | -70.6 | 177 | 0 | 0 | 0 | 111.8 | D2 L5 N55 K60 L61 | D2-L57 HydrophobicContact CB-CD1 3.97Å; L5-L57 HydrophobicContact CB-CB 4.27Å; L5-L57 HydrophobicContact CD1-CB 4.02Å; N55-L57 PolarHBondContact O-N 2.72Å; N55-L57 VanDerWaalsContact O-N 3.09Å; N55-L57 PolarHBondContact OD1-N 3.33Å; L57-K60 PolarHBondContact O-N 2.84Å; L57-L61 WeakPolarHBondContact O-CB 3.49Å; L57-L61 PolarHBondContact O-N 2.8Å |
| 58 | I | 90.6 | Very high | 90.8 | Very high | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.7 | -47.1 | 176.8 | -68.8 | -176.5 | 0 | 0 | 0 | 110.4 | M1 L5 W42 I52 N55 K60 L61 F62 | M1-I58 HydrophobicContact CE-CD1 3.78Å; M1-I58 HydrophobicContact CE-CG1 4.44Å; L5-I58 HydrophobicContact CD1-CD1 4.23Å; L5-I58 HydrophobicContact CD1-CG1 3.5Å; L5-I58 HydrophobicContact CD2-CG1 3.96Å; L5-I58 HydrophobicContact CG-CG1 4.41Å; W42-I58 HydrophobicContact CD2-CD1 3.72Å; W42-I58 HydrophobicContact CE3-CD1 4.09Å; W42-I58 HydrophobicContact CG-CD1 4.46Å; W42-I58 HydrophobicContact CH2-CD1 3.64Å; W42-I58 HydrophobicContact CH2-CG2 3.7Å; W42-I58 HydrophobicContact CZ2-CD1 3.2Å; W42-I58 HydrophobicContact CZ2-CG1 4.48Å; W42-I58 HydrophobicContact CZ2-CG2 4.09Å; W42-I58 HydrophobicContact CZ3-CD1 4.05Å; W42-I58 HydrophobicContact CZ3-CG2 4.35Å; I52-I58 HydrophobicContact CG2-CG2 4.13Å; N55-I58 HydrophobicContact CB-CB 4.13Å; N55-I58 HydrophobicContact CB-CD1 4Å; N55-I58 HydrophobicContact CB-CG1 4.1Å; N55-I58 WeakPolarHBondContact ND2-CD1 3.15Å; N55-I58 PolarHBondContact O-N 3.37Å; N55-I58 PolarHBondContact OD1-N 3.46Å; I58-K60 VanDerWaalsContact C-N 3.28Å; I58-K60 PolarHBondContact O-N 2.71Å; I58-L61 WeakPolarHBondContact O-CB 3.4Å; I58-L61 PolarHBondContact O-N 2.91Å; I58-L61 VanDerWaalsContact O-N 3.11Å; I58-F62 HydrophobicContact CG2-CD2 3.71Å; I58-F62 HydrophobicContact CG2-CE1 4.32Å; I58-F62 HydrophobicContact CG2-CE2 3.27Å; I58-F62 HydrophobicContact CG2-CG 4.42Å; I58-F62 HydrophobicContact CG2-CZ 3.62Å; I58-F62 WeakPolarHBondContact O-CG 3.35Å; I58-F62 PolarHBondContact O-N 2.74Å |
| 59 | V | 92.6 | Very high | 91.1 | Very high | 31 Ų | 31 | 40.7 Ų | 40.7 | 19% | 0.188 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.3 | -43.8 | 177.1 | 177.7 | 0 | 0 | 0 | 0 | 110.5 | I52 N55 F62 N63 | I52-V59 WeakPolarHBondContact O-CG2 3.04Å; N55-V59 PolarHBondContact O-N 2.86Å; N55-V59 VanDerWaalsContact O-N 3.12Å; V59-F62 PolarHBondContact O-N 3.34Å; V59-N63 PolarHBondContact O-N 3.46Å; V59-N63 PolarHBondContact O-ND2 3.3Å |
| 60 | K | 93.4 | Very high | 91.2 | Very high | 121 Ų | 121 | 41.9 Ų | 41.9 | 53% | 0.526 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.2 | -41.7 | 175.3 | -76.7 | 175.1 | -178 | -177.6 | 0 | 112.5 | L9 A56 L57 I58 N63 Q64 | L9-K60 HydrophobicContact CD1-CB 4.25Å; L9-K60 HydrophobicContact CD2-CB 3.94Å; L9-K60 HydrophobicContact CD2-CD 4.44Å; A56-K60 WeakPolarHBondContact O-CB 3.26Å; A56-K60 WeakPolarHBondContact O-CG 3.33Å; A56-K60 PolarHBondContact O-N 2.97Å; A56-K60 VanDerWaalsContact O-N 3.09Å; L57-K60 PolarHBondContact O-N 2.84Å; I58-K60 VanDerWaalsContact C-N 3.28Å; I58-K60 PolarHBondContact O-N 2.71Å; K60-N63 PolarHBondContact O-N 3.43Å; K60-Q64 WeakPolarHBondContact O-CB 3.26Å; K60-Q64 PolarHBondContact O-N 3.31Å |
| 61 | L | 93.9 | Very high | 91.2 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.8 | -45.9 | 177.1 | 179.9 | 65.5 | 0 | 0 | 0 | 111.4 | L5 A8 L9 L35 L57 I58 N63 Q64 I65 F85 | L5-L61 HydrophobicContact CD2-CD2 3.6Å; A8-L61 HydrophobicContact CB-CD1 4.3Å; L9-L61 HydrophobicContact CB-CD1 4.36Å; L35-L61 HydrophobicContact CD2-CD2 3.44Å; L35-L61 VanDerWaalsContact CD2-CD2 3.44Å; L57-L61 WeakPolarHBondContact O-CB 3.49Å; L57-L61 PolarHBondContact O-N 2.8Å; I58-L61 WeakPolarHBondContact O-CB 3.4Å; I58-L61 PolarHBondContact O-N 2.91Å; I58-L61 VanDerWaalsContact O-N 3.11Å; L61-N63 PolarHBondContact O-N 2.77Å; L61-Q64 PolarHBondContact O-N 3Å; L61-Q64 VanDerWaalsContact O-N 3.16Å; L61-I65 HydrophobicContact CD1-CD1 4.1Å; L61-I65 HydrophobicContact CD1-CG1 4.24Å; L61-I65 HydrophobicContact CD2-CD1 4.47Å; L61-I65 HydrophobicContact CG-CD1 3.88Å; L61-I65 HydrophobicContact CG-CG1 4.41Å; L61-I65 WeakPolarHBondContact O-CG1 3.26Å; L61-I65 PolarHBondContact O-N 3.15Å; L61-F85 HydrophobicContact CD2-CZ 4.28Å |
| 62 | F | 94.9 | Very high | 90.8 | Very high | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.009 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.9 | -42.2 | 177.8 | -67.1 | -27.9 | 0 | 0 | 0 | 112.6 | W42 I52 I58 V59 Q64 I65 R66 F85 I89 V96 Y99 L100 L104 | W42-F62 HydrophobicContact CH2-CE2 4.3Å; W42-F62 HydrophobicContact CH2-CZ 4.12Å; W42-F62 HydrophobicContact CZ3-CZ 4.11Å; I52-F62 HydrophobicContact CG2-CD2 4.43Å; I52-F62 HydrophobicContact CG2-CE2 3.97Å; I58-F62 HydrophobicContact CG2-CD2 3.71Å; I58-F62 HydrophobicContact CG2-CE1 4.32Å; I58-F62 HydrophobicContact CG2-CE2 3.27Å; I58-F62 HydrophobicContact CG2-CG 4.42Å; I58-F62 HydrophobicContact CG2-CZ 3.62Å; I58-F62 WeakPolarHBondContact O-CG 3.35Å; I58-F62 PolarHBondContact O-N 2.74Å; V59-F62 PolarHBondContact O-N 3.34Å; F62-Q64 VanDerWaalsContact C-N 3.32Å; F62-Q64 PolarHBondContact O-N 2.73Å; F62-I65 PolarHBondContact O-N 3.26Å; F62-R66 WeakPolarHBondContact O-CB 3.34Å; F62-R66 PolarHBondContact O-N 3.3Å; F62-F85 HydrophobicContact CE1-CE1 4.26Å; F62-I89 HydrophobicContact CE1-CD1 3.59Å; F62-I89 HydrophobicContact CZ-CD1 3.96Å; F62-V96 HydrophobicContact CZ-CG1 4.32Å; F62-Y99 HydrophobicContact CD2-CE1 4.22Å; F62-L100 HydrophobicContact CB-CD2 3.89Å; F62-L100 HydrophobicContact CD1-CD2 3.98Å; F62-L100 HydrophobicContact CD2-CD2 3.5Å; F62-L100 HydrophobicContact CE1-CD2 4.34Å; F62-L100 HydrophobicContact CE2-CD2 3.88Å; F62-L100 HydrophobicContact CG-CD2 3.55Å; F62-L100 HydrophobicContact CZ-CD2 4.28Å; F62-L104 HydrophobicContact CB-CD1 3.64Å |
| 63 | N | 94.8 | Very high | 90.3 | Very high | 63 Ų | 63 | 49.1 Ų | 49.1 | 34% | 0.337 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.4 | -41.4 | 172.6 | -79.9 | -70 | 0 | 0 | 0 | 111.8 | V59 K60 L61 R66 S67 L104 | V59-N63 PolarHBondContact O-N 3.46Å; V59-N63 PolarHBondContact O-ND2 3.3Å; K60-N63 PolarHBondContact O-N 3.43Å; L61-N63 PolarHBondContact O-N 2.77Å; N63-R66 WeakPolarHBondContact O-CB 3.32Å; N63-R66 PolarHBondContact O-N 2.78Å; N63-S67 PolarHBondContact O-N 2.85Å; N63-S67 PolarHBondContact O-OG 3.46Å; N63-L104 VanDerWaalsContact OD1-CD2 3.25Å; N63-L104 WeakPolarHBondContact OD1-CD2 3.21Å |
| 64 | Q | 94 | Very high | 90.3 | Very high | 29 Ų | 29 | 44.4 Ų | 44.4 | 14% | 0.136 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.5 | -40.8 | 178.5 | -170.3 | 63.8 | 32.4 | 0 | 0 | 112.3 | L9 A12 Q13 K60 L61 F62 R66 S67 L68 | L9-Q64 HydrophobicContact CD1-CB 3.79Å; L9-Q64 HydrophobicContact CD1-CG 4.15Å; A12-Q64 HydrophobicContact CB-CG 3.68Å; A12-Q64 PolarHBondContact O-NE2 3.27Å; Q13-Q64 HydrophobicContact CG-CG 4.05Å; K60-Q64 WeakPolarHBondContact O-CB 3.26Å; K60-Q64 PolarHBondContact O-N 3.31Å; L61-Q64 PolarHBondContact O-N 3Å; L61-Q64 VanDerWaalsContact O-N 3.16Å; F62-Q64 VanDerWaalsContact C-N 3.32Å; F62-Q64 PolarHBondContact O-N 2.73Å; Q64-R66 VanDerWaalsContact C-N 3.33Å; Q64-S67 PolarHBondContact O-N 3.47Å; Q64-L68 VanDerWaalsContact O-CB 3.3Å; Q64-L68 WeakPolarHBondContact O-CB 3.34Å; Q64-L68 PolarHBondContact O-N 2.75Å |
| 65 | I | 94.3 | Very high | 90.3 | Very high | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.015 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.7 | -43.3 | 174.9 | -69.6 | 169.9 | 0 | 0 | 0 | 109.9 | L32 L61 F62 L68 L69 F85 L86 | L32-I65 HydrophobicContact CD2-CD1 4.23Å; L61-I65 HydrophobicContact CD1-CD1 4.1Å; L61-I65 HydrophobicContact CD1-CG1 4.24Å; L61-I65 HydrophobicContact CD2-CD1 4.47Å; L61-I65 HydrophobicContact CG-CD1 3.88Å; L61-I65 HydrophobicContact CG-CG1 4.41Å; L61-I65 WeakPolarHBondContact O-CG1 3.26Å; L61-I65 PolarHBondContact O-N 3.15Å; F62-I65 PolarHBondContact O-N 3.26Å; I65-L68 WeakPolarHBondContact O-CB 3.3Å; I65-L68 PolarHBondContact O-N 3.42Å; I65-L69 HydrophobicContact CG2-CD1 4.29Å; I65-L69 HydrophobicContact CG2-CG 4.49Å; I65-L69 WeakPolarHBondContact O-CG 3.37Å; I65-L69 PolarHBondContact O-N 3.44Å; I65-F85 HydrophobicContact CD1-CD1 3.83Å; I65-F85 HydrophobicContact CD1-CE1 3.67Å; I65-L86 HydrophobicContact CG2-CD1 3.95Å; I65-L86 HydrophobicContact CG2-CD2 4.28Å; I65-L86 HydrophobicContact CG2-CG 4.3Å |
| 66 | R | 94.5 | Very high | 90.4 | Very high | 64 Ų | 64 | 42.1 Ų | 42.1 | 24% | 0.242 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -54.8 | -53.8 | 172.5 | 166.5 | 174.3 | 176.4 | -173.6 | 7.9 | 111.2 | F62 N63 Q64 L68 L69 E70 L104 F106 V109 | F62-R66 WeakPolarHBondContact O-CB 3.34Å; F62-R66 PolarHBondContact O-N 3.3Å; N63-R66 WeakPolarHBondContact O-CB 3.32Å; N63-R66 PolarHBondContact O-N 2.78Å; Q64-R66 VanDerWaalsContact C-N 3.33Å; R66-L68 PolarHBondContact O-N 2.67Å; R66-L69 PolarHBondContact O-N 2.85Å; R66-L69 VanDerWaalsContact O-N 3.1Å; R66-E70 IonicContact CZ-OE1 3.58Å; R66-E70 IonicContact NE-OE1 3.71Å; R66-E70 PolarHBondContact NE-OE1 2.91Å; R66-E70 IonicContact NH2-OE1 3.38Å; R66-E70 PolarHBondContact NH2-OE1 2.8Å; R66-E70 WeakPolarHBondContact O-CG 3.42Å; R66-E70 PolarHBondContact O-N 3.35Å; R66-L104 PolarHBondContact NH1-O 3.41Å; R66-F106 HydrophobicContact CB-CE2 4.28Å; R66-F106 HydrophobicContact CB-CZ 4.06Å; R66-V109 HydrophobicContact CG-CG1 4.44Å; R66-V109 HydrophobicContact CG-CG2 3.84Å |
| 67 | S | 92.3 | Very high | 90.5 | Very high | 40 Ų | 40 | 41.1 Ų | 41.1 | 28% | 0.28 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.7 | -33 | 179.4 | -61.2 | 0 | 0 | 0 | 0 | 112.8 | N63 Q64 E70 Q71 | N63-S67 PolarHBondContact O-N 2.85Å; N63-S67 PolarHBondContact O-OG 3.46Å; Q64-S67 PolarHBondContact O-N 3.47Å; S67-E70 PolarHBondContact O-N 3.29Å; S67-Q71 WeakPolarHBondContact O-CG 3.2Å; S67-Q71 PolarHBondContact O-N 2.88Å |
| 68 | L | 91 | Very high | 90.6 | Very high | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.016 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.2 | -37.8 | 176.1 | 179.6 | 147.5 | 0 | 0 | 0 | 112.4 | A12 Y15 V28 Q64 I65 R66 Q71 V78 | A12-L68 HydrophobicContact CB-CD1 4.43Å; Y15-L68 HydrophobicContact CD1-CD1 3.63Å; Y15-L68 HydrophobicContact CD1-CG 4.25Å; Y15-L68 HydrophobicContact CE1-CD1 4.17Å; Y15-L68 HydrophobicContact CE1-CG 4.35Å; V28-L68 HydrophobicContact CG1-CD1 4.47Å; Q64-L68 VanDerWaalsContact O-CB 3.3Å; Q64-L68 WeakPolarHBondContact O-CB 3.34Å; Q64-L68 PolarHBondContact O-N 2.75Å; I65-L68 WeakPolarHBondContact O-CB 3.3Å; I65-L68 PolarHBondContact O-N 3.42Å; R66-L68 PolarHBondContact O-N 2.67Å; L68-Q71 PolarHBondContact O-N 3.14Å; L68-V78 HydrophobicContact CD1-CG1 3.77Å; L68-V78 HydrophobicContact CD2-CG1 3.46Å; L68-V78 VanDerWaalsContact CD2-CG1 3.46Å; L68-V78 HydrophobicContact CG-CG1 4.07Å |
| 69 | L | 92.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -74.4 | -25.6 | 175.9 | -67.1 | 178.5 | 0 | 0 | 0 | 113 | I65 R66 Q71 L79 A82 F83 L86 F106 V109 L110 | I65-L69 HydrophobicContact CG2-CD1 4.29Å; I65-L69 HydrophobicContact CG2-CG 4.49Å; I65-L69 WeakPolarHBondContact O-CG 3.37Å; I65-L69 PolarHBondContact O-N 3.44Å; R66-L69 PolarHBondContact O-N 2.85Å; R66-L69 VanDerWaalsContact O-N 3.1Å; L69-Q71 VanDerWaalsContact C-N 3.27Å; L69-L79 HydrophobicContact CD2-CD2 3.74Å; L69-A82 HydrophobicContact CD2-CB 4.08Å; L69-F83 HydrophobicContact CD2-CD1 4.33Å; L69-F83 HydrophobicContact CD2-CE1 3.85Å; L69-L86 HydrophobicContact CD1-CD1 3.76Å; L69-F106 HydrophobicContact CD1-CE1 4.19Å; L69-V109 HydrophobicContact CB-CG1 3.66Å; L69-V109 HydrophobicContact CD1-CG1 4.37Å; L69-L110 HydrophobicContact CD1-CD2 4.17Å |
| 70 | E | 88.8 | Confident | 90.8 | Very high | 77 Ų | 77 | 38.5 Ų | 38.5 | 36% | 0.36 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -13.2 | 174.4 | -69.9 | 172.6 | 171.8 | 0 | 0 | 112.9 | R66 S67 T72 V109 | R66-E70 IonicContact CZ-OE1 3.58Å; R66-E70 IonicContact NE-OE1 3.71Å; R66-E70 PolarHBondContact NE-OE1 2.91Å; R66-E70 IonicContact NH2-OE1 3.38Å; R66-E70 PolarHBondContact NH2-OE1 2.8Å; R66-E70 WeakPolarHBondContact O-CG 3.42Å; R66-E70 PolarHBondContact O-N 3.35Å; S67-E70 PolarHBondContact O-N 3.29Å; E70-T72 PolarHBondContact O-N 3.36Å; E70-V109 HydrophobicContact CG-CG1 3.93Å; E70-V109 HydrophobicContact CG-CG2 4.27Å |
| 71 | Q | 86.2 | Confident | 90.8 | Very high | 31 Ų | 31 | 33 Ų | 33 | 15% | 0.145 | 18% | 0.179 | C | C | . | . | trans | -69.4 | 129 | 178.4 | -66.9 | -163.9 | -37.8 | 0 | 0 | 112.1 | F16 S67 L68 L69 E73 C74 | F16-Q71 HydrophobicContact CD2-CG 3.92Å; F16-Q71 HydrophobicContact CE2-CG 3.78Å; F16-Q71 VanDerWaalsContact CE2-NE2 3.27Å; F16-Q71 PolarHBondContact O-NE2 3.21Å; S67-Q71 WeakPolarHBondContact O-CG 3.2Å; S67-Q71 PolarHBondContact O-N 2.88Å; L68-Q71 PolarHBondContact O-N 3.14Å; L69-Q71 VanDerWaalsContact C-N 3.27Å; Q71-E73 VanDerWaalsContact C-N 3.29Å; Q71-E73 PolarHBondContact O-N 2.89Å; Q71-C74 PolarHBondContact O-N 2.83Å | ||
| 72 | T | 79.6 | Confident | 90.8 | Very high | 97 Ų | 97 | 33 Ų | 33 | 60% | 0.595 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -35.7 | -179.4 | 49.1 | 0 | 0 | 0 | 0 | 113.9 | E70 R120 | E70-T72 PolarHBondContact O-N 3.36Å; T72-R120 PolarHBondContact O-NH1 2.87Å |
| 73 | E | 80.8 | Confident | 90.9 | Very high | 132 Ų | 132 | 33 Ų | 33 | 62% | 0.617 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -113.4 | 41.8 | -176.2 | -65.1 | -172.4 | 177.2 | 0 | 0 | 112.7 | Q71 | Q71-E73 VanDerWaalsContact C-N 3.29Å; Q71-E73 PolarHBondContact O-N 2.89Å |
| 74 | C | 87.6 | Confident | 90.8 | Very high | 3 Ų | 3 | 32.2 Ų | 32.2 | 2% | 0.02 | 18% | 0.179 | C | C | . | . | trans | -64.9 | 138.5 | 172.3 | -164.7 | 0 | 0 | 0 | 0 | 111 | Q71 L79 R120 | Q71-C74 PolarHBondContact O-N 2.83Å; C74-L79 HydrophobicContact CB-CD2 3.95Å; C74-L79 HydrophobicContact CB-CG 4.16Å; C74-R120 PolarHBondContact O-NH1 2.92Å; C74-R120 PolarHBondContact O-NH2 3.37Å | ||
| 75 | S | 89.5 | Confident | 90.9 | Very high | 16 Ų | 16 | 31 Ų | 31 | 11% | 0.112 | 17% | 0.173 | C | C | . | . | trans | -74.9 | 144.8 | -177.6 | 69.4 | 0 | 0 | 0 | 0 | 111.6 | Y15 S77 V78 L79 | Y15-S75 WeakPolarHBondContact OH-CB 3.35Å; Y15-S75 PolarHBondContact OH-N 3.3Å; Y15-S75 PolarHBondContact OH-OG 3.45Å; S75-S77 VanDerWaalsContact C-N 3.32Å; S75-S77 PolarHBondContact O-N 3.17Å; S75-V78 PolarHBondContact O-N 3.48Å; S75-V78 WeakPolarHBondContact OG-CB 3.22Å; S75-V78 WeakPolarHBondContact OG-CG2 3.09Å; S75-L79 PolarHBondContact O-N 2.86Å | ||
| 76 | P | 89.9 | Confident | 90.9 | Very high | 57 Ų | 57 | 30.9 Ų | 30.9 | 37% | 0.37 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -53.1 | -41.9 | -179.4 | -32.1 | 38.6 | 0 | 0 | 0 | 115 | L79 V80 L122 I126 | P76-L79 PolarHBondContact O-N 2.89Å; P76-V80 WeakPolarHBondContact O-CG2 3.5Å; P76-V80 PolarHBondContact O-N 3.47Å; P76-V80 VanDerWaalsContact O-N 3.08Å; P76-L122 HydrophobicContact CG-CD2 4.4Å; P76-I126 HydrophobicContact CB-CD1 3.57Å |
| 77 | S | 89.5 | Confident | 90.9 | Very high | 37 Ų | 37 | 29.1 Ų | 29.1 | 26% | 0.259 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -67.2 | -41.5 | -179.3 | 55.5 | 0 | 0 | 0 | 0 | 112.1 | E29 S75 V80 A81 | E29-S77 WeakPolarHBondContact OE2-CB 3.49Å; S75-S77 VanDerWaalsContact C-N 3.32Å; S75-S77 PolarHBondContact O-N 3.17Å; S77-V80 PolarHBondContact O-N 2.94Å; S77-A81 PolarHBondContact O-N 3.22Å |
| 78 | V | 91.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.7 | -40.7 | 176.9 | 177.1 | 0 | 0 | 0 | 0 | 111.1 | Y15 V28 L68 S75 V80 A81 A82 | Y15-V78 HydrophobicContact CD1-CG1 4.42Å; Y15-V78 HydrophobicContact CE1-CB 4.48Å; Y15-V78 HydrophobicContact CE1-CG1 4.14Å; Y15-V78 HydrophobicContact CE1-CG2 4.29Å; Y15-V78 HydrophobicContact CE2-CG2 4.22Å; V28-V78 HydrophobicContact CB-CG2 4.27Å; V28-V78 HydrophobicContact CG1-CG1 4.08Å; L68-V78 HydrophobicContact CD1-CG1 3.77Å; L68-V78 HydrophobicContact CD2-CG1 3.46Å; L68-V78 VanDerWaalsContact CD2-CG1 3.46Å; L68-V78 HydrophobicContact CG-CG1 4.07Å; S75-V78 PolarHBondContact O-N 3.48Å; S75-V78 WeakPolarHBondContact OG-CB 3.22Å; S75-V78 WeakPolarHBondContact OG-CG2 3.09Å; V78-V80 VanDerWaalsContact C-N 3.33Å; V78-V80 PolarHBondContact O-N 3.28Å; V78-A81 PolarHBondContact O-N 2.82Å; V78-A82 VanDerWaalsContact O-CB 3.27Å; V78-A82 WeakPolarHBondContact O-CB 3.29Å; V78-A82 PolarHBondContact O-N 3.33Å |
| 79 | L | 94.2 | Very high | 91 | Very high | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.2 | -46.4 | 173.7 | -71.5 | 176.3 | 0 | 0 | 0 | 111.3 | L69 C74 S75 P76 A82 F83 I117 L122 I126 | L69-L79 HydrophobicContact CD2-CD2 3.74Å; C74-L79 HydrophobicContact CB-CD2 3.95Å; C74-L79 HydrophobicContact CB-CG 4.16Å; S75-L79 PolarHBondContact O-N 2.86Å; P76-L79 PolarHBondContact O-N 2.89Å; L79-A82 PolarHBondContact O-N 2.88Å; L79-F83 HydrophobicContact CB-CE2 4.33Å; L79-F83 HydrophobicContact CD2-CZ 4.29Å; L79-F83 VanDerWaalsContact O-CB 3.31Å; L79-F83 WeakPolarHBondContact O-CB 3.28Å; L79-F83 WeakPolarHBondContact O-CD2 3.5Å; L79-F83 WeakPolarHBondContact O-CG 3.3Å; L79-F83 PolarHBondContact O-N 2.91Å; L79-I117 HydrophobicContact CD1-CD1 4.32Å; L79-I117 HydrophobicContact CD1-CG1 4.14Å; L79-L122 HydrophobicContact CD1-CD1 4.24Å; L79-I126 HydrophobicContact CB-CG2 4.39Å; L79-I126 HydrophobicContact CD1-CG2 4.4Å |
| 80 | V | 93.8 | Very high | 91.1 | Very high | 30 Ų | 30 | 29.9 Ų | 29.9 | 18% | 0.182 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.9 | -46.7 | 177.9 | 165.3 | 0 | 0 | 0 | 0 | 111.9 | P76 S77 V78 F83 S84 I126 | P76-V80 WeakPolarHBondContact O-CG2 3.5Å; P76-V80 PolarHBondContact O-N 3.47Å; P76-V80 VanDerWaalsContact O-N 3.08Å; S77-V80 PolarHBondContact O-N 2.94Å; V78-V80 VanDerWaalsContact C-N 3.33Å; V78-V80 PolarHBondContact O-N 3.28Å; V80-F83 PolarHBondContact O-N 2.94Å; V80-S84 WeakPolarHBondContact O-CB 3.43Å; V80-S84 PolarHBondContact O-N 3.49Å; V80-S84 PolarHBondContact O-OG 3.45Å; V80-I126 HydrophobicContact CG2-CD1 4.35Å; V80-I126 HydrophobicContact CG2-CG1 3.95Å |
| 81 | A | 92.7 | Very high | 91.1 | Very high | 6 Ų | 6 | 27.6 Ų | 27.6 | 5% | 0.05 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.6 | -45 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | E29 L32 S77 V78 S84 F85 | E29-A81 HydrophobicContact CB-CB 4.27Å; E29-A81 HydrophobicContact CG-CB 4.22Å; L32-A81 HydrophobicContact CB-CB 4.49Å; L32-A81 HydrophobicContact CD1-CB 4.24Å; S77-A81 PolarHBondContact O-N 3.22Å; V78-A81 PolarHBondContact O-N 2.82Å; A81-S84 PolarHBondContact O-N 3.38Å; A81-F85 VanDerWaalsContact O-CB 3.27Å; A81-F85 WeakPolarHBondContact O-CB 3.37Å; A81-F85 PolarHBondContact O-N 2.87Å |
| 82 | A | 95.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64 | -44.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | L32 L69 V78 L79 F85 L86 | L32-A82 HydrophobicContact CD1-CB 4.5Å; L69-A82 HydrophobicContact CD2-CB 4.08Å; V78-A82 VanDerWaalsContact O-CB 3.27Å; V78-A82 WeakPolarHBondContact O-CB 3.29Å; V78-A82 PolarHBondContact O-N 3.33Å; L79-A82 PolarHBondContact O-N 2.88Å; A82-F85 PolarHBondContact O-N 3.38Å; A82-L86 WeakPolarHBondContact O-CB 3.4Å; A82-L86 VanDerWaalsContact O-CG 3.25Å; A82-L86 WeakPolarHBondContact O-CG 3.28Å; A82-L86 PolarHBondContact O-N 3.35Å |
| 83 | F | 96.3 | Very high | 91.8 | Very high | 3 Ų | 3 | 21.9 Ų | 21.9 | 1% | 0.013 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.5 | -43.5 | 178.1 | -68.8 | -17.2 | 0 | 0 | 0 | 112.2 | L69 L79 V80 L86 F87 L110 I117 I126 R129 L133 | L69-F83 HydrophobicContact CD2-CD1 4.33Å; L69-F83 HydrophobicContact CD2-CE1 3.85Å; L79-F83 HydrophobicContact CB-CE2 4.33Å; L79-F83 HydrophobicContact CD2-CZ 4.29Å; L79-F83 VanDerWaalsContact O-CB 3.31Å; L79-F83 WeakPolarHBondContact O-CB 3.28Å; L79-F83 WeakPolarHBondContact O-CD2 3.5Å; L79-F83 WeakPolarHBondContact O-CG 3.3Å; L79-F83 PolarHBondContact O-N 2.91Å; V80-F83 PolarHBondContact O-N 2.94Å; F83-L86 PolarHBondContact O-N 3.17Å; F83-F87 VanDerWaalsContact O-CB 3.23Å; F83-F87 WeakPolarHBondContact O-CB 3.43Å; F83-F87 PolarHBondContact O-N 2.82Å; F83-L110 HydrophobicContact CD1-CD2 4.28Å; F83-L110 HydrophobicContact CE1-CD2 3.84Å; F83-I117 HydrophobicContact CE2-CD1 3.9Å; F83-I117 HydrophobicContact CZ-CD1 3.9Å; F83-I126 HydrophobicContact CE2-CG2 4.3Å; F83-R129 HydrophobicContact CD2-CB 4.14Å; F83-L133 HydrophobicContact CB-CD2 4.13Å; F83-L133 HydrophobicContact CD1-CD2 3.65Å; F83-L133 HydrophobicContact CE1-CD2 4.43Å; F83-L133 HydrophobicContact CG-CD2 4.16Å |
| 84 | S | 93.4 | Very high | 92.3 | Very high | 47 Ų | 47 | 17 Ų | 17 | 33% | 0.329 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -64.6 | -44.2 | 178.3 | -53.6 | 0 | 0 | 0 | 0 | 111 | V80 A81 F87 D88 | V80-S84 WeakPolarHBondContact O-CB 3.43Å; V80-S84 PolarHBondContact O-N 3.49Å; V80-S84 PolarHBondContact O-OG 3.45Å; A81-S84 PolarHBondContact O-N 3.38Å; S84-F87 PolarHBondContact O-N 3.31Å; S84-D88 PolarHBondContact O-N 2.92Å; S84-D88 VanDerWaalsContact O-N 3.09Å |
| 85 | F | 94.9 | Very high | 92.5 | Very high | 3 Ų | 3 | 18 Ų | 18 | 1% | 0.013 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.8 | -49.5 | 176.8 | 177.7 | -96.3 | 0 | 0 | 0 | 112.4 | L32 L35 L36 C39 L61 F62 I65 A81 A82 I89 | L32-F85 HydrophobicContact CD2-CD1 4.47Å; L32-F85 HydrophobicContact CD2-CD2 4.46Å; L32-F85 HydrophobicContact CD2-CG 4.34Å; L35-F85 HydrophobicContact CB-CE2 4.38Å; L35-F85 HydrophobicContact CD2-CE2 3.76Å; L35-F85 HydrophobicContact CD2-CZ 3.88Å; L35-F85 HydrophobicContact CG-CE2 3.96Å; L35-F85 HydrophobicContact CG-CZ 4.47Å; L36-F85 HydrophobicContact CB-CD2 4.41Å; L36-F85 HydrophobicContact CD1-CD2 3.98Å; C39-F85 HydrophobicContact CB-CE2 3.85Å; C39-F85 HydrophobicContact CB-CZ 4.19Å; L61-F85 HydrophobicContact CD2-CZ 4.28Å; F62-F85 HydrophobicContact CE1-CE1 4.26Å; I65-F85 HydrophobicContact CD1-CD1 3.83Å; I65-F85 HydrophobicContact CD1-CE1 3.67Å; A81-F85 VanDerWaalsContact O-CB 3.27Å; A81-F85 WeakPolarHBondContact O-CB 3.37Å; A81-F85 PolarHBondContact O-N 2.87Å; A82-F85 PolarHBondContact O-N 3.38Å; F85-I89 HydrophobicContact CD1-CD1 4.08Å; F85-I89 HydrophobicContact CE1-CD1 3.65Å; F85-I89 HydrophobicContact CE2-CG2 4.42Å; F85-I89 HydrophobicContact CZ-CD1 4.13Å; F85-I89 HydrophobicContact CZ-CG2 4.45Å; F85-I89 WeakPolarHBondContact O-CG1 3.46Å; F85-I89 WeakPolarHBondContact O-CG2 3.36Å; F85-I89 PolarHBondContact O-N 3.48Å |
| 86 | L | 96 | Very high | 92.7 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65.5 | -41.9 | 179.1 | -70.2 | 168.2 | 0 | 0 | 0 | 111.8 | I65 L69 A82 F83 I89 S90 L100 F106 L133 | I65-L86 HydrophobicContact CG2-CD1 3.95Å; I65-L86 HydrophobicContact CG2-CD2 4.28Å; I65-L86 HydrophobicContact CG2-CG 4.3Å; L69-L86 HydrophobicContact CD1-CD1 3.76Å; A82-L86 WeakPolarHBondContact O-CB 3.4Å; A82-L86 VanDerWaalsContact O-CG 3.25Å; A82-L86 WeakPolarHBondContact O-CG 3.28Å; A82-L86 PolarHBondContact O-N 3.35Å; F83-L86 PolarHBondContact O-N 3.17Å; L86-I89 HydrophobicContact CD2-CD1 4.44Å; L86-I89 WeakPolarHBondContact O-CG1 3.31Å; L86-S90 WeakPolarHBondContact O-CB 3.37Å; L86-S90 PolarHBondContact O-N 2.84Å; L86-S90 PolarHBondContact O-OG 2.88Å; L86-S90 VanDerWaalsContact O-OG 3.05Å; L86-L100 HydrophobicContact CD2-CD1 4.22Å; L86-F106 HydrophobicContact CD1-CD1 4.16Å; L86-F106 HydrophobicContact CD1-CE1 3.61Å; L86-F106 HydrophobicContact CD2-CE1 3.8Å; L86-F106 HydrophobicContact CD2-CZ 4.15Å; L86-F106 HydrophobicContact CG-CE1 4.37Å; L86-L133 HydrophobicContact CB-CD1 4.11Å; L86-L133 HydrophobicContact CB-CD2 3.88Å; L86-L133 HydrophobicContact CD1-CD2 4.06Å |
| 87 | F | 93.9 | Very high | 92.9 | Very high | 27 Ų | 27 | 15.5 Ų | 15.5 | 12% | 0.118 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -59.1 | -51.6 | 179.5 | -172.6 | -91.1 | 0 | 0 | 0 | 111 | F83 S84 S90 W91 K132 L133 L136 | F83-F87 VanDerWaalsContact O-CB 3.23Å; F83-F87 WeakPolarHBondContact O-CB 3.43Å; F83-F87 PolarHBondContact O-N 2.82Å; S84-F87 PolarHBondContact O-N 3.31Å; F87-S90 PolarHBondContact O-N 2.88Å; F87-W91 HydrophobicContact CD1-CB 4.5Å; F87-W91 HydrophobicContact CE1-CB 4.3Å; F87-W91 HydrophobicContact CE1-CG 4.35Å; F87-W91 WeakPolarHBondContact O-CB 3.48Å; F87-W91 PolarHBondContact O-N 3.46Å; F87-K132 HydrophobicContact CD2-CG 4.38Å; F87-K132 HydrophobicContact CE2-CD 4.25Å; F87-K132 HydrophobicContact CE2-CG 3.83Å; F87-K132 HydrophobicContact CZ-CG 4.49Å; F87-L133 HydrophobicContact CB-CD1 3.9Å; F87-L133 HydrophobicContact CD2-CD1 4.12Å; F87-L136 HydrophobicContact CD2-CD2 3.98Å; F87-L136 HydrophobicContact CE2-CB 4.46Å; F87-L136 HydrophobicContact CE2-CD2 4.04Å |
| 88 | D | 91.6 | Very high | 93.1 | Very high | 58 Ų | 58 | 15.2 Ų | 15.2 | 31% | 0.31 | 9% | 0.088 | S | C | . | . | H | α-helix | trans | -66.7 | -42.8 | -173.9 | -77.2 | -13.5 | 0 | 0 | 0 | 112.6 | L36 S84 A92 | L36-D88 HydrophobicContact CD1-CB 3.72Å; L36-D88 WeakPolarHBondContact CD2-OD2 3.26Å; S84-D88 PolarHBondContact O-N 2.92Å; S84-D88 VanDerWaalsContact O-N 3.09Å; D88-A92 WeakPolarHBondContact O-CB 3.5Å; D88-A92 PolarHBondContact O-N 3.19Å |
| 89 | I | 93 | Very high | 93.1 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -69.5 | -38.8 | 179.5 | 68.2 | -177.9 | 0 | 0 | 0 | 112 | C39 A43 F62 F85 L86 N93 V96 | C39-I89 HydrophobicContact CB-CG2 4.07Å; A43-I89 HydrophobicContact CB-CB 4.3Å; F62-I89 HydrophobicContact CE1-CD1 3.59Å; F62-I89 HydrophobicContact CZ-CD1 3.96Å; F85-I89 HydrophobicContact CD1-CD1 4.08Å; F85-I89 HydrophobicContact CE1-CD1 3.65Å; F85-I89 HydrophobicContact CE2-CG2 4.42Å; F85-I89 HydrophobicContact CZ-CD1 4.13Å; F85-I89 HydrophobicContact CZ-CG2 4.45Å; F85-I89 WeakPolarHBondContact O-CG1 3.46Å; F85-I89 WeakPolarHBondContact O-CG2 3.36Å; F85-I89 PolarHBondContact O-N 3.48Å; L86-I89 HydrophobicContact CD2-CD1 4.44Å; L86-I89 WeakPolarHBondContact O-CG1 3.31Å; I89-N93 PolarHBondContact O-N 2.86Å; I89-V96 HydrophobicContact CG1-CG1 4.42Å |
| 90 | S | 93.8 | Very high | 93.2 | Very high | 2 Ų | 2 | 15.7 Ų | 15.7 | 1% | 0.014 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -75.9 | -29.6 | 179.7 | -65.1 | 0 | 0 | 0 | 0 | 112.3 | L86 F87 F137 | L86-S90 WeakPolarHBondContact O-CB 3.37Å; L86-S90 PolarHBondContact O-N 2.84Å; L86-S90 PolarHBondContact O-OG 2.88Å; L86-S90 VanDerWaalsContact O-OG 3.05Å; F87-S90 PolarHBondContact O-N 2.88Å; S90-F137 VanDerWaalsContact OG-CZ 3.31Å; S90-F137 WeakPolarHBondContact OG-CZ 3.3Å |
| 91 | W | 90.6 | Very high | 93.1 | Very high | 28 Ų | 28 | 14.7 Ų | 14.7 | 11% | 0.106 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -75 | -36.8 | 173.6 | -177.6 | -117.1 | 0 | 0 | 0 | 112.4 | F87 N93 L136 F259 L260 F263 N307 Q308 | F87-W91 HydrophobicContact CD1-CB 4.5Å; F87-W91 HydrophobicContact CE1-CB 4.3Å; F87-W91 HydrophobicContact CE1-CG 4.35Å; F87-W91 WeakPolarHBondContact O-CB 3.48Å; F87-W91 PolarHBondContact O-N 3.46Å; W91-N93 VanDerWaalsContact C-N 3.3Å; W91-N93 PolarHBondContact O-N 3.32Å; W91-L136 HydrophobicContact CB-CD2 4.31Å; W91-L136 HydrophobicContact CE3-CD1 3.73Å; W91-L136 HydrophobicContact CZ3-CD1 4.1Å; W91-F259 AromaticContact CE2-CD2 3.98Å; W91-F259 HydrophobicContact CH2-CB 3.29Å; W91-F259 HydrophobicContact CH2-CG 4.02Å; W91-F259 HydrophobicContact CZ2-CB 3.25Å; W91-F259 AromaticContact CZ2-CD1 3.93Å; W91-F259 HydrophobicContact CZ2-CD1 3.93Å; W91-F259 AromaticContact CZ2-CD2 3.86Å; W91-F259 HydrophobicContact CZ2-CD2 3.86Å; W91-F259 AromaticContact CZ2-CG 3.42Å; W91-F259 HydrophobicContact CZ2-CG 3.42Å; W91-F259 VanDerWaalsContact CZ2-CG 3.42Å; W91-F259 HydrophobicContact CZ3-CB 4.23Å; W91-L260 HydrophobicContact CZ3-CD2 4.41Å; W91-F263 HydrophobicContact CH2-CD2 4.42Å; W91-F263 HydrophobicContact CH2-CE1 4.17Å; W91-F263 AromaticContact CH2-CE2 3.55Å; W91-F263 HydrophobicContact CH2-CE2 3.55Å; W91-F263 AromaticContact CH2-CZ 3.39Å; W91-F263 HydrophobicContact CH2-CZ 3.39Å; W91-F263 HydrophobicContact CZ2-CZ 4.3Å; W91-F263 HydrophobicContact CZ3-CD2 4.49Å; W91-F263 AromaticContact CZ3-CE2 3.68Å; W91-F263 HydrophobicContact CZ3-CE2 3.68Å; W91-F263 HydrophobicContact CZ3-CZ 4Å; W91-N307 VanDerWaalsContact CE2-ND2 3.35Å; W91-N307 PolarHBondContact NE1-ND2 3.44Å; W91-Q308 HydrophobicContact CZ2-CG 4.44Å |
| 92 | A | 89.2 | Confident | 93 | Very high | 8 Ų | 8 | 20 Ų | 20 | 7% | 0.066 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65.4 | -33.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | H40 K44 D88 | H40-A92 WeakPolarHBondContact ND1-CB 3.28Å; K44-A92 HydrophobicContact CG-CB 4.34Å; D88-A92 WeakPolarHBondContact O-CB 3.5Å; D88-A92 PolarHBondContact O-N 3.19Å |
| 93 | N | 90.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | trans | -145 | 117.7 | -177 | -169.1 | -39.5 | 0 | 0 | 0 | 112.6 | A43 V46 I89 W91 V95 V96 R97 G364 | A43-N93 VanDerWaalsContact O-CB 3.28Å; A43-N93 WeakPolarHBondContact O-CB 3.19Å; A43-N93 PolarHBondContact O-ND2 2.69Å; V46-N93 PolarHBondContact O-ND2 2.95Å; I89-N93 PolarHBondContact O-N 2.86Å; W91-N93 VanDerWaalsContact C-N 3.3Å; W91-N93 PolarHBondContact O-N 3.32Å; N93-V95 VanDerWaalsContact C-N 3.27Å; N93-V95 PolarHBondContact O-N 3.16Å; N93-V95 WeakPolarHBondContact OD1-CA 3.34Å; N93-V95 VanDerWaalsContact OD1-CB 3.24Å; N93-V95 WeakPolarHBondContact OD1-CB 3.31Å; N93-V95 PolarHBondContact OD1-N 2.88Å; N93-V96 HydrophobicContact CB-CB 4.47Å; N93-V96 HydrophobicContact CB-CG2 4.03Å; N93-V96 PolarHBondContact O-N 3.17Å; N93-R97 PolarHBondContact O-N 3.25Å; N93-G364 PolarHBondContact ND2-N 3.24Å; N93-G364 VanDerWaalsContact ND2-N 3.17Å; N93-G364 WeakPolarHBondContact OD1-CA 3.09Å | ||
| 94 | P | 91.4 | Very high | 92.6 | Very high | 30 Ų | 30 | 24.5 Ų | 24.5 | 20% | 0.195 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -66 | -26.1 | -179.5 | 27.9 | -35.4 | 0 | 0 | 0 | 113.4 | R97 C98 F365 | P94-R97 WeakPolarHBondContact O-CB 3.44Å; P94-R97 PolarHBondContact O-N 3.32Å; P94-C98 WeakPolarHBondContact O-CB 3.46Å; P94-C98 PolarHBondContact O-N 2.86Å; P94-C98 PolarHBondContact O-SG 2.9Å; P94-F365 HydrophobicContact CG-CD1 4.31Å; P94-F365 HydrophobicContact CG-CE1 3.78Å; P94-F365 HydrophobicContact CG-CZ 3.93Å |
| 95 | V | 92.1 | Very high | 92.5 | Very high | 25 Ų | 25 | 26.5 Ų | 26.5 | 15% | 0.152 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.4 | -42.6 | 175.8 | 179.6 | 0 | 0 | 0 | 0 | 110.5 | V46 E49 N93 R97 C98 Y99 | V46-V95 HydrophobicContact CG1-CG1 4.13Å; E49-V95 HydrophobicContact CG-CG1 3.96Å; N93-V95 VanDerWaalsContact C-N 3.27Å; N93-V95 PolarHBondContact O-N 3.16Å; N93-V95 WeakPolarHBondContact OD1-CA 3.34Å; N93-V95 VanDerWaalsContact OD1-CB 3.24Å; N93-V95 WeakPolarHBondContact OD1-CB 3.31Å; N93-V95 PolarHBondContact OD1-N 2.88Å; V95-R97 VanDerWaalsContact C-N 3.33Å; V95-R97 PolarHBondContact O-N 2.95Å; V95-C98 PolarHBondContact O-N 3.18Å; V95-Y99 WeakPolarHBondContact O-CB 3.36Å; V95-Y99 PolarHBondContact O-N 3.34Å |
| 96 | V | 93.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.3 | -43.1 | 176.1 | 178.8 | 0 | 0 | 0 | 0 | 110.4 | A43 V46 I52 F62 I89 N93 Y99 L100 | A43-V96 HydrophobicContact CB-CG2 4.3Å; V46-V96 HydrophobicContact CB-CG2 4.18Å; V46-V96 HydrophobicContact CG1-CG2 4.26Å; V46-V96 HydrophobicContact CG2-CG2 4.19Å; I52-V96 HydrophobicContact CD1-CB 4.43Å; I52-V96 HydrophobicContact CD1-CG2 4.06Å; F62-V96 HydrophobicContact CZ-CG1 4.32Å; I89-V96 HydrophobicContact CG1-CG1 4.42Å; N93-V96 HydrophobicContact CB-CB 4.47Å; N93-V96 HydrophobicContact CB-CG2 4.03Å; N93-V96 PolarHBondContact O-N 3.17Å; V96-Y99 PolarHBondContact O-N 2.89Å; V96-L100 HydrophobicContact CG1-CD1 4.16Å; V96-L100 HydrophobicContact CG1-CG 4.46Å; V96-L100 WeakPolarHBondContact O-CB 3.46Å; V96-L100 VanDerWaalsContact O-CG 3.29Å; V96-L100 WeakPolarHBondContact O-CG 3.42Å; V96-L100 PolarHBondContact O-N 3.48Å |
| 97 | R | 94.3 | Very high | 92.3 | Very high | 19 Ų | 19 | 26.6 Ų | 26.6 | 7% | 0.072 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.3 | -48.4 | 175.2 | -173.8 | -175.5 | 66 | -173.2 | -0.6 | 111.8 | N93 P94 V95 Y99 L100 Q101 L136 F137 | N93-R97 PolarHBondContact O-N 3.25Å; P94-R97 WeakPolarHBondContact O-CB 3.44Å; P94-R97 PolarHBondContact O-N 3.32Å; V95-R97 VanDerWaalsContact C-N 3.33Å; V95-R97 PolarHBondContact O-N 2.95Å; R97-Y99 VanDerWaalsContact C-N 3.33Å; R97-Y99 PolarHBondContact O-N 3.48Å; R97-L100 PolarHBondContact O-N 3.08Å; R97-Q101 VanDerWaalsContact O-CB 3.3Å; R97-Q101 WeakPolarHBondContact O-CB 3.39Å; R97-Q101 PolarHBondContact O-N 2.88Å; R97-L136 WeakPolarHBondContact CD-O 3.46Å; R97-F137 HydrophobicContact CG-CD1 4.26Å; R97-F137 HydrophobicContact CG-CE1 4.1Å; R97-F137 HydrophobicContact CG-CZ 4.47Å |
| 98 | C | 91.9 | Very high | 92.2 | Very high | 32 Ų | 32 | 26.8 Ų | 26.8 | 22% | 0.216 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.7 | -44.2 | 177.9 | -73.1 | 0 | 0 | 0 | 0 | 111.3 | P94 V95 Q101 Q102 | P94-C98 WeakPolarHBondContact O-CB 3.46Å; P94-C98 PolarHBondContact O-N 2.86Å; P94-C98 PolarHBondContact O-SG 2.9Å; V95-C98 PolarHBondContact O-N 3.18Å; C98-Q101 PolarHBondContact O-N 3.25Å; C98-Q102 WeakPolarHBondContact O-CB 3.32Å; C98-Q102 VanDerWaalsContact O-CG 3.31Å; C98-Q102 WeakPolarHBondContact O-CG 3.42Å; C98-Q102 PolarHBondContact O-N 2.84Å |
| 99 | Y | 93.3 | Very high | 92.3 | Very high | 11 Ų | 11 | 24.1 Ų | 24.1 | 4% | 0.043 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -59.2 | -52.1 | 176.6 | 175.6 | -94.5 | 0 | 0 | 0 | 112.2 | E49 I52 E53 F62 V95 V96 R97 Q101 Q102 H103 | E49-Y99 HydrophobicContact CB-CD2 4.1Å; E49-Y99 HydrophobicContact CG-CD2 4.37Å; I52-Y99 HydrophobicContact CB-CD1 4.46Å; I52-Y99 HydrophobicContact CB-CG 4.45Å; I52-Y99 HydrophobicContact CD1-CD1 4.08Å; I52-Y99 HydrophobicContact CD1-CD2 4.37Å; I52-Y99 HydrophobicContact CD1-CG 3.76Å; I52-Y99 HydrophobicContact CG2-CD1 3.76Å; I52-Y99 HydrophobicContact CG2-CE1 3.63Å; I52-Y99 HydrophobicContact CG2-CE2 4.45Å; I52-Y99 HydrophobicContact CG2-CG 4.23Å; E53-Y99 HydrophobicContact CG-CE2 3.69Å; F62-Y99 HydrophobicContact CD2-CE1 4.22Å; V95-Y99 WeakPolarHBondContact O-CB 3.36Å; V95-Y99 PolarHBondContact O-N 3.34Å; V96-Y99 PolarHBondContact O-N 2.89Å; R97-Y99 VanDerWaalsContact C-N 3.33Å; R97-Y99 PolarHBondContact O-N 3.48Å; Y99-Q101 PolarHBondContact O-N 3.49Å; Y99-Q102 PolarHBondContact O-N 3.06Å; Y99-H103 AromaticContact CD2-CD2 3.27Å; Y99-H103 WeakPolarHBondContact CD2-CD2 3.29Å; Y99-H103 AromaticContact CD2-NE2 3.81Å; Y99-H103 HydrophobicContact CE2-CB 4.23Å; Y99-H103 AromaticContact CE2-CD2 3.55Å; Y99-H103 AromaticContact CE2-CG 3.88Å; Y99-H103 WeakPolarHBondContact O-CB 3.4Å; Y99-H103 PolarHBondContact O-CD2 2.86Å; Y99-H103 PolarHBondContact O-N 3.22Å |
| 100 | L | 94.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -58.7 | -38.9 | 178.4 | -70.7 | 177.2 | 0 | 0 | 0 | 111.1 | F62 L86 V96 R97 L104 Q105 F106 F137 | F62-L100 HydrophobicContact CB-CD2 3.89Å; F62-L100 HydrophobicContact CD1-CD2 3.98Å; F62-L100 HydrophobicContact CD2-CD2 3.5Å; F62-L100 HydrophobicContact CE1-CD2 4.34Å; F62-L100 HydrophobicContact CE2-CD2 3.88Å; F62-L100 HydrophobicContact CG-CD2 3.55Å; F62-L100 HydrophobicContact CZ-CD2 4.28Å; L86-L100 HydrophobicContact CD2-CD1 4.22Å; V96-L100 HydrophobicContact CG1-CD1 4.16Å; V96-L100 HydrophobicContact CG1-CG 4.46Å; V96-L100 WeakPolarHBondContact O-CB 3.46Å; V96-L100 VanDerWaalsContact O-CG 3.29Å; V96-L100 WeakPolarHBondContact O-CG 3.42Å; V96-L100 PolarHBondContact O-N 3.48Å; R97-L100 PolarHBondContact O-N 3.08Å; L100-L104 HydrophobicContact CD2-CD1 3.91Å; L100-L104 CarbonylContact O-C 3.57Å; L100-L104 WeakPolarHBondContact O-CA 3.44Å; L100-L104 VanDerWaalsContact O-CB 3.29Å; L100-L104 WeakPolarHBondContact O-CB 3.45Å; L100-L104 PolarHBondContact O-N 3.28Å; L100-L104 VanDerWaalsContact O-N 3.15Å; L100-Q105 PolarHBondContact O-N 3.43Å; L100-F106 HydrophobicContact CB-CD2 3.93Å; L100-F106 HydrophobicContact CB-CE2 4.3Å; L100-F106 HydrophobicContact CB-CG 4.47Å; L100-F106 HydrophobicContact CD2-CD2 4.33Å; L100-F106 HydrophobicContact CD2-CE2 3.83Å; L100-F106 HydrophobicContact CD2-CZ 4.37Å; L100-F106 WeakPolarHBondContact O-CD2 3.27Å; L100-F137 HydrophobicContact CB-CE1 3.71Å; L100-F137 HydrophobicContact CB-CZ 4.1Å; L100-F137 HydrophobicContact CD1-CE1 4.37Å; L100-F137 HydrophobicContact CD1-CZ 3.91Å |
| 101 | Q | 93 | Very high | 92.4 | Very high | 9 Ų | 9 | 24 Ų | 24 | 4% | 0.042 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -73.1 | -49.2 | 180 | -175.8 | 44.4 | 37.2 | 0 | 0 | 112.8 | R97 C98 Y99 Q105 D107 F137 C141 | R97-Q101 VanDerWaalsContact O-CB 3.3Å; R97-Q101 WeakPolarHBondContact O-CB 3.39Å; R97-Q101 PolarHBondContact O-N 2.88Å; C98-Q101 PolarHBondContact O-N 3.25Å; Y99-Q101 PolarHBondContact O-N 3.49Å; Q101-Q105 VanDerWaalsContact O-CA 3.25Å; Q101-Q105 WeakPolarHBondContact O-CA 3.45Å; Q101-Q105 PolarHBondContact O-N 2.89Å; Q101-D107 PolarHBondContact NE2-OD1 2.92Å; Q101-D107 PolarHBondContact OE1-OD1 3.49Å; Q101-F137 HydrophobicContact CB-CD1 4.12Å; Q101-F137 HydrophobicContact CB-CE1 4.47Å; Q101-C141 HydrophobicContact CG-CB 3.7Å |
| 102 | Q | 89.6 | Confident | 92.5 | Very high | 119 Ų | 119 | 25.1 Ų | 25.1 | 56% | 0.556 | 13% | 0.127 | S | C | * | . | H | α-helix | trans | -74.2 | -39.5 | -174 | -68.1 | -179.2 | 9.3 | 0 | 0 | 112.8 | C98 Y99 | C98-Q102 WeakPolarHBondContact O-CB 3.32Å; C98-Q102 VanDerWaalsContact O-CG 3.31Å; C98-Q102 WeakPolarHBondContact O-CG 3.42Å; C98-Q102 PolarHBondContact O-N 2.84Å; Y99-Q102 PolarHBondContact O-N 3.06Å |
| 103 | H | 90.8 | Very high | 92.8 | Very high | 87 Ų | 87 | 24.9 Ų | 24.9 | 40% | 0.403 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -94.9 | -28.5 | -175.8 | -64.1 | -84.7 | 0 | 0 | 0 | 113.4 | E49 E53 Y99 | E49-H103 IonicContact OE2-CD2 3.98Å; E49-H103 IonicContact OE2-NE2 3.21Å; E49-H103 PolarHBondContact OE2-NE2 3.23Å; E53-H103 IonicContact OE1-CE1 3.86Å; Y99-H103 AromaticContact CD2-CD2 3.27Å; Y99-H103 WeakPolarHBondContact CD2-CD2 3.29Å; Y99-H103 AromaticContact CD2-NE2 3.81Å; Y99-H103 HydrophobicContact CE2-CB 4.23Å; Y99-H103 AromaticContact CE2-CD2 3.55Å; Y99-H103 AromaticContact CE2-CG 3.88Å; Y99-H103 WeakPolarHBondContact O-CB 3.4Å; Y99-H103 PolarHBondContact O-CD2 2.86Å; Y99-H103 PolarHBondContact O-N 3.22Å |
| 104 | L | 91.9 | Very high | 93 | Very high | 9 Ų | 9 | 24.9 Ų | 24.9 | 5% | 0.047 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -117.4 | -2.8 | -175.2 | -58.4 | 177.5 | 0 | 0 | 0 | 114.3 | F62 N63 R66 L100 F106 | F62-L104 HydrophobicContact CB-CD1 3.64Å; N63-L104 VanDerWaalsContact OD1-CD2 3.25Å; N63-L104 WeakPolarHBondContact OD1-CD2 3.21Å; R66-L104 PolarHBondContact NH1-O 3.41Å; L100-L104 HydrophobicContact CD2-CD1 3.91Å; L100-L104 CarbonylContact O-C 3.57Å; L100-L104 WeakPolarHBondContact O-CA 3.44Å; L100-L104 VanDerWaalsContact O-CB 3.29Å; L100-L104 WeakPolarHBondContact O-CB 3.45Å; L100-L104 PolarHBondContact O-N 3.28Å; L100-L104 VanDerWaalsContact O-N 3.15Å; L104-F106 HydrophobicContact CB-CD2 3.69Å; L104-F106 HydrophobicContact CB-CE2 3.64Å; L104-F106 HydrophobicContact CD1-CE2 3.84Å; L104-F106 HydrophobicContact CG-CE2 4.41Å; L104-F106 PolarHBondContact O-N 3.45Å |
| 105 | Q | 92.1 | Very high | 93.2 | Very high | 90 Ų | 90 | 24.7 Ų | 24.7 | 42% | 0.421 | 12% | 0.122 | S | C | . | . | trans | 53.3 | 49.4 | 173.3 | -58.8 | -179.3 | -49.9 | 0 | 0 | 113.1 | L100 Q101 D107 I108 V109 | L100-Q105 PolarHBondContact O-N 3.43Å; Q101-Q105 VanDerWaalsContact O-CA 3.25Å; Q101-Q105 WeakPolarHBondContact O-CA 3.45Å; Q101-Q105 PolarHBondContact O-N 2.89Å; Q105-D107 PolarHBondContact O-N 2.98Å; Q105-I108 HydrophobicContact CB-CD1 3.94Å; Q105-I108 HydrophobicContact CB-CG1 4.11Å; Q105-I108 HydrophobicContact CG-CD1 4.41Å; Q105-I108 WeakPolarHBondContact O-CB 3.1Å; Q105-I108 PolarHBondContact O-N 3.28Å; Q105-I108 VanDerWaalsContact O-N 3.08Å; Q105-V109 PolarHBondContact O-N 3.26Å | ||
| 106 | F | 93.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.1 | -27.3 | -175.9 | -97.2 | -100.4 | 0 | 0 | 0 | 113.5 | R66 L69 L86 L100 L104 I108 V109 L110 F137 | R66-F106 HydrophobicContact CB-CE2 4.28Å; R66-F106 HydrophobicContact CB-CZ 4.06Å; L69-F106 HydrophobicContact CD1-CE1 4.19Å; L86-F106 HydrophobicContact CD1-CD1 4.16Å; L86-F106 HydrophobicContact CD1-CE1 3.61Å; L86-F106 HydrophobicContact CD2-CE1 3.8Å; L86-F106 HydrophobicContact CD2-CZ 4.15Å; L86-F106 HydrophobicContact CG-CE1 4.37Å; L100-F106 HydrophobicContact CB-CD2 3.93Å; L100-F106 HydrophobicContact CB-CE2 4.3Å; L100-F106 HydrophobicContact CB-CG 4.47Å; L100-F106 HydrophobicContact CD2-CD2 4.33Å; L100-F106 HydrophobicContact CD2-CE2 3.83Å; L100-F106 HydrophobicContact CD2-CZ 4.37Å; L100-F106 WeakPolarHBondContact O-CD2 3.27Å; L104-F106 HydrophobicContact CB-CD2 3.69Å; L104-F106 HydrophobicContact CB-CE2 3.64Å; L104-F106 HydrophobicContact CD1-CE2 3.84Å; L104-F106 HydrophobicContact CG-CE2 4.41Å; L104-F106 PolarHBondContact O-N 3.45Å; F106-I108 VanDerWaalsContact C-N 3.3Å; F106-I108 PolarHBondContact O-N 2.85Å; F106-V109 PolarHBondContact O-N 3.44Å; F106-L110 HydrophobicContact CB-CD1 4.45Å; F106-L110 WeakPolarHBondContact O-CB 3.46Å; F106-L110 WeakPolarHBondContact O-CD1 3.43Å; F106-L110 WeakPolarHBondContact O-CG 3.36Å; F106-L110 PolarHBondContact O-N 2.89Å; F106-F137 HydrophobicContact CB-CD1 3.69Å; F106-F137 HydrophobicContact CB-CE1 3.66Å; F106-F137 HydrophobicContact CB-CG 4.25Å; F106-F137 HydrophobicContact CB-CZ 4.21Å; F106-F137 HydrophobicContact CG-CE1 4.21Å; F106-F137 HydrophobicContact CG-CZ 4.4Å |
| 107 | D | 92.3 | Very high | 93.2 | Very high | 4 Ų | 4 | 25.1 Ų | 25.1 | 2% | 0.021 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -53.3 | -46.7 | 169.5 | 68.7 | -45.9 | 0 | 0 | 0 | 111.8 | Q101 Q105 S111 L143 | Q101-D107 PolarHBondContact NE2-OD1 2.92Å; Q101-D107 PolarHBondContact OE1-OD1 3.49Å; Q105-D107 PolarHBondContact O-N 2.98Å; D107-S111 VanDerWaalsContact O-CB 3.28Å; D107-S111 WeakPolarHBondContact O-CB 3.23Å; D107-S111 PolarHBondContact O-N 2.98Å; D107-S111 PolarHBondContact O-OG 3.38Å; D107-L143 HydrophobicContact CB-CD2 4.29Å |
| 108 | I | 92.5 | Very high | 93.1 | Very high | 32 Ų | 32 | 26.8 Ų | 26.8 | 16% | 0.164 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.9 | -48.4 | -179.7 | -52.7 | -173.5 | 0 | 0 | 0 | 110.3 | Q105 F106 L110 S111 I112 V148 | Q105-I108 HydrophobicContact CB-CD1 3.94Å; Q105-I108 HydrophobicContact CB-CG1 4.11Å; Q105-I108 HydrophobicContact CG-CD1 4.41Å; Q105-I108 WeakPolarHBondContact O-CB 3.1Å; Q105-I108 PolarHBondContact O-N 3.28Å; Q105-I108 VanDerWaalsContact O-N 3.08Å; F106-I108 VanDerWaalsContact C-N 3.3Å; F106-I108 PolarHBondContact O-N 2.85Å; I108-L110 PolarHBondContact O-N 2.84Å; I108-S111 WeakPolarHBondContact O-CB 3.5Å; I108-S111 PolarHBondContact O-N 3.27Å; I108-I112 HydrophobicContact CG2-CD1 4.16Å; I108-I112 WeakPolarHBondContact O-CG1 3.43Å; I108-I112 PolarHBondContact O-N 3.47Å; I108-V148 HydrophobicContact CG2-CG1 4.38Å; I108-V148 HydrophobicContact CG2-CG2 4.44Å |
| 109 | V | 93.1 | Very high | 93.1 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.4 | -45.4 | -177.5 | 177.7 | 0 | 0 | 0 | 0 | 110.8 | R66 L69 E70 Q105 F106 I112 C113 | R66-V109 HydrophobicContact CG-CG1 4.44Å; R66-V109 HydrophobicContact CG-CG2 3.84Å; L69-V109 HydrophobicContact CB-CG1 3.66Å; L69-V109 HydrophobicContact CD1-CG1 4.37Å; E70-V109 HydrophobicContact CG-CG1 3.93Å; E70-V109 HydrophobicContact CG-CG2 4.27Å; Q105-V109 PolarHBondContact O-N 3.26Å; F106-V109 PolarHBondContact O-N 3.44Å; V109-I112 PolarHBondContact O-N 3.26Å; V109-C113 WeakPolarHBondContact O-CB 3.48Å; V109-C113 PolarHBondContact O-N 3.39Å |
| 110 | L | 95.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -68.3 | -35.9 | 177.8 | -68.9 | 171.1 | 0 | 0 | 0 | 111.7 | L69 F83 F106 I108 C113 V114 L133 L134 F137 | L69-L110 HydrophobicContact CD1-CD2 4.17Å; F83-L110 HydrophobicContact CD1-CD2 4.28Å; F83-L110 HydrophobicContact CE1-CD2 3.84Å; F106-L110 HydrophobicContact CB-CD1 4.45Å; F106-L110 WeakPolarHBondContact O-CB 3.46Å; F106-L110 WeakPolarHBondContact O-CD1 3.43Å; F106-L110 WeakPolarHBondContact O-CG 3.36Å; F106-L110 PolarHBondContact O-N 2.89Å; I108-L110 PolarHBondContact O-N 2.84Å; L110-C113 PolarHBondContact O-N 3.17Å; L110-V114 WeakPolarHBondContact O-CB 3.35Å; L110-V114 VanDerWaalsContact O-CG2 3.27Å; L110-V114 WeakPolarHBondContact O-CG2 3.4Å; L110-V114 PolarHBondContact O-N 2.92Å; L110-L133 HydrophobicContact CD1-CD2 4.1Å; L110-L133 HydrophobicContact CD1-CG 3.83Å; L110-L133 HydrophobicContact CD2-CD2 3.67Å; L110-L133 HydrophobicContact CD2-CG 4.22Å; L110-L134 HydrophobicContact CB-CB 4.33Å; L110-L134 HydrophobicContact CB-CD1 3.89Å; L110-F137 HydrophobicContact CD1-CB 4.2Å; L110-F137 HydrophobicContact CD1-CD2 3.66Å; L110-F137 HydrophobicContact CD1-CE2 4.31Å; L110-F137 HydrophobicContact CD1-CG 4.02Å |
| 111 | S | 94.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.2 | -49.3 | 173.9 | -59.4 | 0 | 0 | 0 | 0 | 111.1 | D107 I108 C113 V114 M115 L152 | D107-S111 VanDerWaalsContact O-CB 3.28Å; D107-S111 WeakPolarHBondContact O-CB 3.23Å; D107-S111 PolarHBondContact O-N 2.98Å; D107-S111 PolarHBondContact O-OG 3.38Å; I108-S111 WeakPolarHBondContact O-CB 3.5Å; I108-S111 PolarHBondContact O-N 3.27Å; S111-C113 VanDerWaalsContact C-N 3.34Å; S111-C113 PolarHBondContact O-N 2.92Å; S111-V114 PolarHBondContact O-N 2.89Å; S111-M115 VanDerWaalsContact O-CG 3.31Å; S111-M115 WeakPolarHBondContact O-CG 3.47Å; S111-M115 PolarHBondContact O-N 3.23Å; S111-L152 WeakPolarHBondContact OG-CD2 3.1Å |
| 112 | I | 93.5 | Very high | 92.6 | Very high | 51 Ų | 51 | 45.9 Ų | 45.9 | 26% | 0.262 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -60 | -46.5 | 176.4 | -65 | 167.3 | 0 | 0 | 0 | 110.3 | I108 V109 M115 Q116 V148 | I108-I112 HydrophobicContact CG2-CD1 4.16Å; I108-I112 WeakPolarHBondContact O-CG1 3.43Å; I108-I112 PolarHBondContact O-N 3.47Å; V109-I112 PolarHBondContact O-N 3.26Å; I112-M115 HydrophobicContact CG1-CE 4.41Å; I112-M115 PolarHBondContact O-N 2.93Å; I112-Q116 HydrophobicContact CG2-CG 4.44Å; I112-Q116 WeakPolarHBondContact O-CG 3.22Å; I112-Q116 PolarHBondContact O-N 3.42Å; I112-V148 HydrophobicContact CG1-CG1 3.78Å; I112-V148 HydrophobicContact CG1-CG2 4.41Å |
| 113 | C | 94.6 | Very high | 92.7 | Very high | 3 Ų | 3 | 45.2 Ų | 45.2 | 2% | 0.02 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.7 | -46.3 | -178.8 | -167.3 | 0 | 0 | 0 | 0 | 112.1 | V109 L110 S111 M115 Q116 I117 | V109-C113 WeakPolarHBondContact O-CB 3.48Å; V109-C113 PolarHBondContact O-N 3.39Å; L110-C113 PolarHBondContact O-N 3.17Å; S111-C113 VanDerWaalsContact C-N 3.34Å; S111-C113 PolarHBondContact O-N 2.92Å; C113-M115 PolarHBondContact O-N 3.46Å; C113-Q116 PolarHBondContact O-N 2.88Å; C113-I117 VanDerWaalsContact O-CG1 3.25Å; C113-I117 WeakPolarHBondContact O-CG1 3.3Å; C113-I117 PolarHBondContact O-N 3.12Å |
| 114 | V | 95.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.2 | -42.9 | 177.2 | 167.2 | 0 | 0 | 0 | 0 | 111.4 | L110 S111 I117 R118 F127 L131 L134 L152 L155 | L110-V114 WeakPolarHBondContact O-CB 3.35Å; L110-V114 VanDerWaalsContact O-CG2 3.27Å; L110-V114 WeakPolarHBondContact O-CG2 3.4Å; L110-V114 PolarHBondContact O-N 2.92Å; S111-V114 PolarHBondContact O-N 2.89Å; V114-I117 PolarHBondContact O-N 3.26Å; V114-R118 PolarHBondContact O-N 2.77Å; V114-F127 HydrophobicContact CG1-CD2 4.1Å; V114-F127 HydrophobicContact CG1-CE2 3.54Å; V114-F127 HydrophobicContact CG1-CZ 4.32Å; V114-L131 HydrophobicContact CG1-CD2 3.75Å; V114-L131 HydrophobicContact CG1-CG 4.46Å; V114-L134 HydrophobicContact CG2-CD2 4.22Å; V114-L152 HydrophobicContact CG1-CD1 4.42Å; V114-L155 HydrophobicContact CG1-CD2 4.37Å |
| 115 | M | 94.3 | Very high | 92.9 | Very high | 27 Ų | 27 | 46.4 Ų | 46.4 | 13% | 0.133 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.7 | -42.4 | 175.4 | -69.4 | -173 | -64.9 | 0 | 0 | 112 | S111 I112 C113 R118 Q119 V148 D151 L155 | S111-M115 VanDerWaalsContact O-CG 3.31Å; S111-M115 WeakPolarHBondContact O-CG 3.47Å; S111-M115 PolarHBondContact O-N 3.23Å; I112-M115 HydrophobicContact CG1-CE 4.41Å; I112-M115 PolarHBondContact O-N 2.93Å; C113-M115 PolarHBondContact O-N 3.46Å; M115-R118 PolarHBondContact O-N 3.45Å; M115-Q119 VanDerWaalsContact O-CG 3.3Å; M115-Q119 WeakPolarHBondContact O-CG 3.41Å; M115-Q119 PolarHBondContact O-N 2.95Å; M115-V148 HydrophobicContact CE-CG1 3.78Å; M115-D151 HydrophobicContact CE-CB 4.37Å; M115-D151 HydrophobicContact SD-CB 3.68Å; M115-L155 HydrophobicContact CB-CD2 4.36Å; M115-L155 HydrophobicContact CG-CD2 3.78Å |
| 116 | Q | 92.7 | Very high | 93 | Very high | 31 Ų | 31 | 42.7 Ų | 42.7 | 15% | 0.145 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.8 | -40 | 177 | -73.6 | 178.2 | -0.1 | 0 | 0 | 112.8 | I112 C113 R118 Q119 R120 | I112-Q116 HydrophobicContact CG2-CG 4.44Å; I112-Q116 WeakPolarHBondContact O-CG 3.22Å; I112-Q116 PolarHBondContact O-N 3.42Å; C113-Q116 PolarHBondContact O-N 2.88Å; Q116-R118 VanDerWaalsContact C-N 3.26Å; Q116-R118 PolarHBondContact O-N 3.25Å; Q116-Q119 PolarHBondContact O-N 2.83Å; Q116-R120 WeakPolarHBondContact O-CB 3.47Å; Q116-R120 VanDerWaalsContact O-CG 3.32Å; Q116-R120 WeakPolarHBondContact O-CG 3.29Å; Q116-R120 PolarHBondContact O-N 2.96Å |
| 117 | I | 94.1 | Very high | 93.1 | Very high | 3 Ų | 3 | 42.7 Ų | 42.7 | 2% | 0.015 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -55.4 | -45.2 | 175.8 | -74.1 | 163.4 | 0 | 0 | 0 | 110 | L79 F83 C113 V114 R120 E121 L122 I126 F127 | L79-I117 HydrophobicContact CD1-CD1 4.32Å; L79-I117 HydrophobicContact CD1-CG1 4.14Å; F83-I117 HydrophobicContact CE2-CD1 3.9Å; F83-I117 HydrophobicContact CZ-CD1 3.9Å; C113-I117 VanDerWaalsContact O-CG1 3.25Å; C113-I117 WeakPolarHBondContact O-CG1 3.3Å; C113-I117 PolarHBondContact O-N 3.12Å; V114-I117 PolarHBondContact O-N 3.26Å; I117-R120 PolarHBondContact O-N 2.67Å; I117-E121 PolarHBondContact O-N 3.21Å; I117-L122 HydrophobicContact CB-CD1 4.46Å; I117-L122 HydrophobicContact CG1-CD1 4.14Å; I117-L122 HydrophobicContact CG2-CB 4.08Å; I117-L122 HydrophobicContact CG2-CD1 4.46Å; I117-L122 PolarHBondContact O-N 3.38Å; I117-I126 HydrophobicContact CD1-CG2 4.12Å; I117-F127 HydrophobicContact CG2-CB 3.87Å; I117-F127 HydrophobicContact CG2-CD2 4.04Å; I117-F127 HydrophobicContact CG2-CG 4.47Å |
| 118 | R | 92.1 | Very high | 93.1 | Very high | 54 Ų | 54 | 43.4 Ų | 43.4 | 20% | 0.204 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -72.3 | -41.3 | 179.4 | -171.7 | 60.7 | 75.9 | -156.5 | 12.1 | 112.5 | V114 M115 Q116 R120 E121 E124 F127 L155 E159 | V114-R118 PolarHBondContact O-N 2.77Å; M115-R118 PolarHBondContact O-N 3.45Å; Q116-R118 VanDerWaalsContact C-N 3.26Å; Q116-R118 PolarHBondContact O-N 3.25Å; R118-R120 PolarHBondContact O-N 3.3Å; R118-E121 PolarHBondContact O-N 2.82Å; R118-E121 VanDerWaalsContact O-N 3.1Å; R118-E124 IonicContact CZ-OE2 3.59Å; R118-E124 VanDerWaalsContact CZ-OE2 3.28Å; R118-E124 IonicContact NH1-OE2 2.89Å; R118-E124 PolarHBondContact NH1-OE2 2.97Å; R118-E124 IonicContact NH2-OE1 2.85Å; R118-E124 PolarHBondContact NH2-OE1 3.48Å; R118-E124 IonicContact NH2-OE2 3.57Å; R118-E124 PolarHBondContact NH2-OE2 3.31Å; R118-F127 HydrophobicContact CB-CD2 4.38Å; R118-F127 HydrophobicContact CB-CE2 4.1Å; R118-L155 HydrophobicContact CG-CD1 4.13Å; R118-E159 IonicContact CZ-OE1 2.91Å; R118-E159 IonicContact NE-OE1 3.3Å; R118-E159 PolarHBondContact NE-OE1 3.41Å; R118-E159 IonicContact NH2-OE1 3.34Å; R118-E159 IonicContact NH2-OE2 2.92Å |
| 119 | Q | 91.2 | Very high | 93.2 | Very high | 155 Ų | 155 | 47.5 Ų | 47.5 | 72% | 0.724 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -60.3 | -31.3 | 174.7 | -73.8 | 174.1 | 7.7 | 0 | 0 | 113.1 | M115 Q116 E121 | M115-Q119 VanDerWaalsContact O-CG 3.3Å; M115-Q119 WeakPolarHBondContact O-CG 3.41Å; M115-Q119 PolarHBondContact O-N 2.95Å; Q116-Q119 PolarHBondContact O-N 2.83Å; Q119-E121 VanDerWaalsContact C-N 3.35Å |
| 120 | R | 90.7 | Very high | 93.3 | Very high | 91 Ų | 91 | 47.5 Ų | 47.5 | 34% | 0.343 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 2.3 | 178.6 | -70.1 | 173.2 | 62.2 | -165.5 | -5.9 | 113.7 | T72 C74 Q116 I117 R118 L122 | T72-R120 PolarHBondContact O-NH1 2.87Å; C74-R120 PolarHBondContact O-NH1 2.92Å; C74-R120 PolarHBondContact O-NH2 3.37Å; Q116-R120 WeakPolarHBondContact O-CB 3.47Å; Q116-R120 VanDerWaalsContact O-CG 3.32Å; Q116-R120 WeakPolarHBondContact O-CG 3.29Å; Q116-R120 PolarHBondContact O-N 2.96Å; I117-R120 PolarHBondContact O-N 2.67Å; R118-R120 PolarHBondContact O-N 3.3Å; R120-L122 HydrophobicContact CB-CD2 4.23Å; R120-L122 HydrophobicContact CB-CG 3.94Å; R120-L122 PolarHBondContact O-N 2.89Å |
| 121 | E | 89.6 | Confident | 93.3 | Very high | 176 Ų | 176 | 47.5 Ų | 47.5 | 82% | 0.822 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 41.4 | -177.7 | -59.9 | -177.6 | 168.5 | 0 | 0 | 112.8 | I117 R118 Q119 | I117-E121 PolarHBondContact O-N 3.21Å; R118-E121 PolarHBondContact O-N 2.82Å; R118-E121 VanDerWaalsContact O-N 3.1Å; Q119-E121 VanDerWaalsContact C-N 3.35Å |
| 122 | L | 91.6 | Very high | 93.3 | Very high | 30 Ų | 30 | 51.1 Ų | 51.1 | 16% | 0.157 | 24% | 0.241 | C | C | . | . | trans | -70.9 | 166.8 | 175.9 | -59.3 | -177.9 | 0 | 0 | 0 | 111.2 | P76 L79 I117 R120 E124 | P76-L122 HydrophobicContact CG-CD2 4.4Å; L79-L122 HydrophobicContact CD1-CD1 4.24Å; I117-L122 HydrophobicContact CB-CD1 4.46Å; I117-L122 HydrophobicContact CG1-CD1 4.14Å; I117-L122 HydrophobicContact CG2-CB 4.08Å; I117-L122 HydrophobicContact CG2-CD1 4.46Å; I117-L122 PolarHBondContact O-N 3.38Å; R120-L122 HydrophobicContact CB-CD2 4.23Å; R120-L122 HydrophobicContact CB-CG 3.94Å; R120-L122 PolarHBondContact O-N 2.89Å; L122-E124 PolarHBondContact O-N 2.88Å | ||
| 123 | D | 90.7 | Very high | 93.4 | Very high | 105 Ų | 105 | 48.8 Ų | 48.8 | 56% | 0.561 | 23% | 0.229 | S | C | * | . | trans | -52.6 | 136.3 | -178.5 | -172.2 | -85.6 | 0 | 0 | 0 | 113 | A125 I126 F127 | D123-A125 PolarHBondContact O-N 3.37Å; D123-A125 WeakPolarHBondContact OD1-CB 3.47Å; D123-A125 PolarHBondContact OD1-N 3.34Å; D123-I126 HydrophobicContact CB-CD1 4.2Å; D123-I126 HydrophobicContact CB-CG1 4.27Å; D123-I126 WeakPolarHBondContact O-CB 3.41Å; D123-I126 PolarHBondContact O-N 2.89Å; D123-F127 PolarHBondContact O-N 3.07Å | ||
| 124 | E | 92.1 | Very high | 93.4 | Very high | 75 Ų | 75 | 48.6 Ų | 48.6 | 35% | 0.35 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -59.3 | -32.4 | -175.8 | -169.4 | 61.8 | -159.3 | 0 | 0 | 112.4 | R118 L122 I126 F127 I128 | R118-E124 IonicContact CZ-OE2 3.59Å; R118-E124 VanDerWaalsContact CZ-OE2 3.28Å; R118-E124 IonicContact NH1-OE2 2.89Å; R118-E124 PolarHBondContact NH1-OE2 2.97Å; R118-E124 IonicContact NH2-OE1 2.85Å; R118-E124 PolarHBondContact NH2-OE1 3.48Å; R118-E124 IonicContact NH2-OE2 3.57Å; R118-E124 PolarHBondContact NH2-OE2 3.31Å; L122-E124 PolarHBondContact O-N 2.88Å; E124-I126 VanDerWaalsContact C-N 3.26Å; E124-I126 PolarHBondContact O-N 2.92Å; E124-F127 WeakPolarHBondContact O-CB 3.49Å; E124-F127 PolarHBondContact O-N 2.9Å; E124-I128 HydrophobicContact CG-CD1 3.94Å; E124-I128 HydrophobicContact CG-CG1 4.45Å; E124-I128 WeakPolarHBondContact O-CG1 3.38Å; E124-I128 PolarHBondContact O-N 3.43Å |
| 125 | A | 94 | Very high | 93.3 | Very high | 46 Ų | 46 | 49 Ų | 49 | 38% | 0.38 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -66.2 | -30.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | D123 R129 | D123-A125 PolarHBondContact O-N 3.37Å; D123-A125 WeakPolarHBondContact OD1-CB 3.47Å; D123-A125 PolarHBondContact OD1-N 3.34Å; A125-R129 WeakPolarHBondContact O-CB 3.31Å; A125-R129 VanDerWaalsContact O-CG 3.25Å; A125-R129 WeakPolarHBondContact O-CG 3.36Å; A125-R129 PolarHBondContact O-N 3.48Å |
| 126 | I | 94.5 | Very high | 93.3 | Very high | 13 Ų | 13 | 47.7 Ų | 47.7 | 7% | 0.067 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -72.7 | -42.3 | 176.1 | -57.4 | 177.9 | 0 | 0 | 0 | 109.8 | P76 L79 V80 F83 I117 D123 E124 R129 G130 | P76-I126 HydrophobicContact CB-CD1 3.57Å; L79-I126 HydrophobicContact CB-CG2 4.39Å; L79-I126 HydrophobicContact CD1-CG2 4.4Å; V80-I126 HydrophobicContact CG2-CD1 4.35Å; V80-I126 HydrophobicContact CG2-CG1 3.95Å; F83-I126 HydrophobicContact CE2-CG2 4.3Å; I117-I126 HydrophobicContact CD1-CG2 4.12Å; D123-I126 HydrophobicContact CB-CD1 4.2Å; D123-I126 HydrophobicContact CB-CG1 4.27Å; D123-I126 WeakPolarHBondContact O-CB 3.41Å; D123-I126 PolarHBondContact O-N 2.89Å; E124-I126 VanDerWaalsContact C-N 3.26Å; E124-I126 PolarHBondContact O-N 2.92Å; I126-R129 PolarHBondContact O-N 3.45Å; I126-G130 PolarHBondContact O-N 3.15Å |
| 127 | F | 95.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.3 | -49.4 | 174.4 | -178.7 | -106.5 | 0 | 0 | 0 | 111.4 | V114 I117 R118 D123 E124 R129 G130 L131 E159 | V114-F127 HydrophobicContact CG1-CD2 4.1Å; V114-F127 HydrophobicContact CG1-CE2 3.54Å; V114-F127 HydrophobicContact CG1-CZ 4.32Å; I117-F127 HydrophobicContact CG2-CB 3.87Å; I117-F127 HydrophobicContact CG2-CD2 4.04Å; I117-F127 HydrophobicContact CG2-CG 4.47Å; R118-F127 HydrophobicContact CB-CD2 4.38Å; R118-F127 HydrophobicContact CB-CE2 4.1Å; D123-F127 PolarHBondContact O-N 3.07Å; E124-F127 WeakPolarHBondContact O-CB 3.49Å; E124-F127 PolarHBondContact O-N 2.9Å; F127-R129 VanDerWaalsContact C-N 3.34Å; F127-R129 PolarHBondContact O-N 3.45Å; F127-G130 PolarHBondContact O-N 2.81Å; F127-G130 VanDerWaalsContact O-N 3.14Å; F127-L131 HydrophobicContact CD1-CD1 3.73Å; F127-L131 HydrophobicContact CD1-CG 4.26Å; F127-L131 HydrophobicContact CE1-CD1 3.29Å; F127-L131 HydrophobicContact CE1-CG 3.99Å; F127-L131 HydrophobicContact CE2-CG 4.45Å; F127-L131 HydrophobicContact CZ-CD1 3.77Å; F127-L131 HydrophobicContact CZ-CD2 4.17Å; F127-L131 HydrophobicContact CZ-CG 4.09Å; F127-L131 WeakPolarHBondContact O-CG 3.36Å; F127-L131 PolarHBondContact O-N 2.96Å; F127-E159 HydrophobicContact CZ-CG 4.34Å |
| 128 | I | 93.1 | Very high | 93.3 | Very high | 18 Ų | 18 | 46.1 Ų | 46.1 | 9% | 0.092 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.2 | -41.7 | 177.3 | -68.6 | 164.1 | 0 | 0 | 0 | 111.6 | E124 G130 L131 K132 E170 Y174 | E124-I128 HydrophobicContact CG-CD1 3.94Å; E124-I128 HydrophobicContact CG-CG1 4.45Å; E124-I128 WeakPolarHBondContact O-CG1 3.38Å; E124-I128 PolarHBondContact O-N 3.43Å; I128-G130 PolarHBondContact O-N 3.46Å; I128-L131 PolarHBondContact O-N 3.47Å; I128-K132 WeakPolarHBondContact O-CB 3.48Å; I128-K132 PolarHBondContact O-N 3.14Å; I128-E170 HydrophobicContact CD1-CB 3.61Å; I128-Y174 HydrophobicContact CG2-CD2 3.97Å; I128-Y174 HydrophobicContact CG2-CE2 3.5Å |
| 129 | R | 94.5 | Very high | 93.2 | Very high | 119 Ų | 119 | 43.6 Ų | 43.6 | 45% | 0.449 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62.3 | -42 | 175 | -77.5 | 174.5 | 178.2 | 167.5 | -1.3 | 112.3 | F83 A125 I126 F127 K132 L133 | F83-R129 HydrophobicContact CD2-CB 4.14Å; A125-R129 WeakPolarHBondContact O-CB 3.31Å; A125-R129 VanDerWaalsContact O-CG 3.25Å; A125-R129 WeakPolarHBondContact O-CG 3.36Å; A125-R129 PolarHBondContact O-N 3.48Å; I126-R129 PolarHBondContact O-N 3.45Å; F127-R129 VanDerWaalsContact C-N 3.34Å; F127-R129 PolarHBondContact O-N 3.45Å; R129-K132 PolarHBondContact O-N 2.94Å; R129-L133 PolarHBondContact O-N 3.33Å |
| 130 | G | 96.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.3 | -46.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I126 F127 I128 L133 L134 | I126-G130 PolarHBondContact O-N 3.15Å; F127-G130 PolarHBondContact O-N 2.81Å; F127-G130 VanDerWaalsContact O-N 3.14Å; I128-G130 PolarHBondContact O-N 3.46Å; G130-L133 PolarHBondContact O-N 3.17Å; G130-L134 WeakPolarHBondContact O-CB 3.43Å; G130-L134 PolarHBondContact O-N 3.17Å |
| 131 | L | 95.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.9 | -43.8 | 175.3 | -69.5 | 179.4 | 0 | 0 | 0 | 112.4 | V114 F127 I128 L133 L134 Q135 L156 Y174 C175 I178 | V114-L131 HydrophobicContact CG1-CD2 3.75Å; V114-L131 HydrophobicContact CG1-CG 4.46Å; F127-L131 HydrophobicContact CD1-CD1 3.73Å; F127-L131 HydrophobicContact CD1-CG 4.26Å; F127-L131 HydrophobicContact CE1-CD1 3.29Å; F127-L131 HydrophobicContact CE1-CG 3.99Å; F127-L131 HydrophobicContact CE2-CG 4.45Å; F127-L131 HydrophobicContact CZ-CD1 3.77Å; F127-L131 HydrophobicContact CZ-CD2 4.17Å; F127-L131 HydrophobicContact CZ-CG 4.09Å; F127-L131 WeakPolarHBondContact O-CG 3.36Å; F127-L131 PolarHBondContact O-N 2.96Å; I128-L131 PolarHBondContact O-N 3.47Å; L131-L133 VanDerWaalsContact C-N 3.31Å; L131-L133 PolarHBondContact O-N 3.33Å; L131-L134 PolarHBondContact O-N 2.87Å; L131-Q135 WeakPolarHBondContact O-CB 3.11Å; L131-Q135 PolarHBondContact O-N 2.87Å; L131-L156 HydrophobicContact CD2-CD2 3.58Å; L131-Y174 HydrophobicContact CB-CG 4.28Å; L131-C175 VanDerWaalsContact CD1-SG 3.57Å; L131-I178 HydrophobicContact CB-CD1 4.3Å; L131-I178 HydrophobicContact CD2-CD1 3.75Å |
| 132 | K | 93.2 | Very high | 92.4 | Very high | 77 Ų | 77 | 34 Ų | 34 | 34% | 0.335 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -60.3 | -41.1 | 177.6 | -178.8 | 176.7 | 178.1 | -179.8 | 0 | 112 | F87 I128 R129 L136 Y174 | F87-K132 HydrophobicContact CD2-CG 4.38Å; F87-K132 HydrophobicContact CE2-CD 4.25Å; F87-K132 HydrophobicContact CE2-CG 3.83Å; F87-K132 HydrophobicContact CZ-CG 4.49Å; I128-K132 WeakPolarHBondContact O-CB 3.48Å; I128-K132 PolarHBondContact O-N 3.14Å; R129-K132 PolarHBondContact O-N 2.94Å; K132-L136 PolarHBondContact O-N 3.4Å; K132-Y174 HydrophobicContact CB-CD1 3.92Å; K132-Y174 HydrophobicContact CB-CE1 3.74Å; K132-Y174 HydrophobicContact CD-CE1 4.2Å; K132-Y174 HydrophobicContact CG-CD1 4.33Å; K132-Y174 HydrophobicContact CG-CE1 3.8Å |
| 133 | L | 95.9 | Very high | 92.1 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -68.5 | -45.2 | 175.4 | -175.2 | 60.6 | 0 | 0 | 0 | 111.5 | F83 L86 F87 L110 R129 G130 L131 Q135 L136 F137 | F83-L133 HydrophobicContact CB-CD2 4.13Å; F83-L133 HydrophobicContact CD1-CD2 3.65Å; F83-L133 HydrophobicContact CE1-CD2 4.43Å; F83-L133 HydrophobicContact CG-CD2 4.16Å; L86-L133 HydrophobicContact CB-CD1 4.11Å; L86-L133 HydrophobicContact CB-CD2 3.88Å; L86-L133 HydrophobicContact CD1-CD2 4.06Å; F87-L133 HydrophobicContact CB-CD1 3.9Å; F87-L133 HydrophobicContact CD2-CD1 4.12Å; L110-L133 HydrophobicContact CD1-CD2 4.1Å; L110-L133 HydrophobicContact CD1-CG 3.83Å; L110-L133 HydrophobicContact CD2-CD2 3.67Å; L110-L133 HydrophobicContact CD2-CG 4.22Å; R129-L133 PolarHBondContact O-N 3.33Å; G130-L133 PolarHBondContact O-N 3.17Å; L131-L133 VanDerWaalsContact C-N 3.31Å; L131-L133 PolarHBondContact O-N 3.33Å; L133-Q135 VanDerWaalsContact C-N 3.3Å; L133-Q135 PolarHBondContact O-N 3.5Å; L133-L136 WeakPolarHBondContact O-CB 3.48Å; L133-L136 PolarHBondContact O-N 2.88Å; L133-L136 VanDerWaalsContact O-N 3.07Å; L133-F137 HydrophobicContact CD1-CD2 3.88Å; L133-F137 HydrophobicContact CD1-CE2 3.67Å; L133-F137 HydrophobicContact CG-CD2 4.08Å; L133-F137 HydrophobicContact CG-CE2 4.18Å; L133-F137 WeakPolarHBondContact O-CD2 3.26Å; L133-F137 PolarHBondContact O-N 2.94Å; L133-F137 VanDerWaalsContact O-N 3.1Å |
| 134 | L | 96 | Very high | 91.7 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.6 | -37.8 | 177.3 | 179.8 | 57.3 | 0 | 0 | 0 | 112.1 | L110 V114 G130 L131 L136 F137 T138 L152 I178 | L110-L134 HydrophobicContact CB-CB 4.33Å; L110-L134 HydrophobicContact CB-CD1 3.89Å; V114-L134 HydrophobicContact CG2-CD2 4.22Å; G130-L134 WeakPolarHBondContact O-CB 3.43Å; G130-L134 PolarHBondContact O-N 3.17Å; L131-L134 PolarHBondContact O-N 2.87Å; L134-L136 VanDerWaalsContact C-N 3.29Å; L134-L136 PolarHBondContact O-N 3.43Å; L134-F137 PolarHBondContact O-N 2.93Å; L134-T138 HydrophobicContact CD1-CG2 3.98Å; L134-T138 HydrophobicContact CG-CG2 4.46Å; L134-T138 WeakPolarHBondContact O-CB 3.48Å; L134-T138 WeakPolarHBondContact O-CG2 3.33Å; L134-T138 PolarHBondContact O-N 3.25Å; L134-T138 PolarHBondContact O-OG1 3.3Å; L134-L152 HydrophobicContact CD2-CD1 4.03Å; L134-L152 HydrophobicContact CD2-CD2 3.78Å; L134-I178 HydrophobicContact CB-CD1 4.12Å; L134-I178 HydrophobicContact CD2-CD1 3.95Å; L134-I178 HydrophobicContact CG-CD1 3.93Å; L134-I178 HydrophobicContact CG-CG1 4.31Å; L134-I178 HydrophobicContact CG-CG2 4.48Å |
| 135 | Q | 93.2 | Very high | 91.3 | Very high | 8 Ų | 8 | 31.6 Ų | 31.6 | 4% | 0.037 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.8 | -40.5 | 173.1 | -165.7 | -170.5 | 26 | 0 | 0 | 111.5 | L131 L133 T138 Y139 Y174 I178 N181 L260 | L131-Q135 WeakPolarHBondContact O-CB 3.11Å; L131-Q135 PolarHBondContact O-N 2.87Å; L133-Q135 VanDerWaalsContact C-N 3.3Å; L133-Q135 PolarHBondContact O-N 3.5Å; Q135-T138 WeakPolarHBondContact CA-OG1 3.49Å; Q135-T138 PolarHBondContact O-N 3.3Å; Q135-T138 PolarHBondContact O-OG1 2.93Å; Q135-T138 VanDerWaalsContact O-OG1 3.12Å; Q135-Y139 WeakPolarHBondContact O-CB 3.35Å; Q135-Y139 PolarHBondContact O-N 2.88Å; Q135-Y139 VanDerWaalsContact O-N 3.12Å; Q135-Y174 VanDerWaalsContact OE1-CD1 3.31Å; Q135-I178 HydrophobicContact CB-CD1 4.49Å; Q135-I178 HydrophobicContact CB-CG1 3.87Å; Q135-I178 HydrophobicContact CG-CG1 4.26Å; Q135-N181 PolarHBondContact O-ND2 3.5Å; Q135-L260 HydrophobicContact CB-CD1 4.08Å; Q135-L260 HydrophobicContact CG-CD1 3.77Å |
| 136 | L | 93.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65 | -41.5 | 176.7 | 179.3 | 62.8 | 0 | 0 | 0 | 112.2 | F87 W91 R97 K132 L133 L134 T138 L260 | F87-L136 HydrophobicContact CD2-CD2 3.98Å; F87-L136 HydrophobicContact CE2-CB 4.46Å; F87-L136 HydrophobicContact CE2-CD2 4.04Å; W91-L136 HydrophobicContact CB-CD2 4.31Å; W91-L136 HydrophobicContact CE3-CD1 3.73Å; W91-L136 HydrophobicContact CZ3-CD1 4.1Å; R97-L136 WeakPolarHBondContact CD-O 3.46Å; K132-L136 PolarHBondContact O-N 3.4Å; L133-L136 WeakPolarHBondContact O-CB 3.48Å; L133-L136 PolarHBondContact O-N 2.88Å; L133-L136 VanDerWaalsContact O-N 3.07Å; L134-L136 VanDerWaalsContact C-N 3.29Å; L134-L136 PolarHBondContact O-N 3.43Å; L136-T138 VanDerWaalsContact C-N 3.32Å; L136-L260 HydrophobicContact CB-CD1 4.3Å; L136-L260 HydrophobicContact CD1-CD2 4.34Å |
| 137 | F | 94.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -76.7 | -16.1 | -179.4 | -87.5 | -84.3 | 0 | 0 | 0 | 114.3 | S90 R97 L100 Q101 F106 L110 L133 L134 C141 | S90-F137 VanDerWaalsContact OG-CZ 3.31Å; S90-F137 WeakPolarHBondContact OG-CZ 3.3Å; R97-F137 HydrophobicContact CG-CD1 4.26Å; R97-F137 HydrophobicContact CG-CE1 4.1Å; R97-F137 HydrophobicContact CG-CZ 4.47Å; L100-F137 HydrophobicContact CB-CE1 3.71Å; L100-F137 HydrophobicContact CB-CZ 4.1Å; L100-F137 HydrophobicContact CD1-CE1 4.37Å; L100-F137 HydrophobicContact CD1-CZ 3.91Å; Q101-F137 HydrophobicContact CB-CD1 4.12Å; Q101-F137 HydrophobicContact CB-CE1 4.47Å; F106-F137 HydrophobicContact CB-CD1 3.69Å; F106-F137 HydrophobicContact CB-CE1 3.66Å; F106-F137 HydrophobicContact CB-CG 4.25Å; F106-F137 HydrophobicContact CB-CZ 4.21Å; F106-F137 HydrophobicContact CG-CE1 4.21Å; F106-F137 HydrophobicContact CG-CZ 4.4Å; L110-F137 HydrophobicContact CD1-CB 4.2Å; L110-F137 HydrophobicContact CD1-CD2 3.66Å; L110-F137 HydrophobicContact CD1-CE2 4.31Å; L110-F137 HydrophobicContact CD1-CG 4.02Å; L133-F137 HydrophobicContact CD1-CD2 3.88Å; L133-F137 HydrophobicContact CD1-CE2 3.67Å; L133-F137 HydrophobicContact CG-CD2 4.08Å; L133-F137 HydrophobicContact CG-CE2 4.18Å; L133-F137 WeakPolarHBondContact O-CD2 3.26Å; L133-F137 PolarHBondContact O-N 2.94Å; L133-F137 VanDerWaalsContact O-N 3.1Å; L134-F137 PolarHBondContact O-N 2.93Å; F137-C141 WeakPolarHBondContact O-CB 3.29Å |
| 138 | T | 91.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -94.2 | -21.7 | 174.8 | 50.1 | 0 | 0 | 0 | 0 | 112.5 | L134 Q135 L136 N140 L143 I178 N181 Y182 | L134-T138 HydrophobicContact CD1-CG2 3.98Å; L134-T138 HydrophobicContact CG-CG2 4.46Å; L134-T138 WeakPolarHBondContact O-CB 3.48Å; L134-T138 WeakPolarHBondContact O-CG2 3.33Å; L134-T138 PolarHBondContact O-N 3.25Å; L134-T138 PolarHBondContact O-OG1 3.3Å; Q135-T138 WeakPolarHBondContact CA-OG1 3.49Å; Q135-T138 PolarHBondContact O-N 3.3Å; Q135-T138 PolarHBondContact O-OG1 2.93Å; Q135-T138 VanDerWaalsContact O-OG1 3.12Å; L136-T138 VanDerWaalsContact C-N 3.32Å; T138-N140 PolarHBondContact O-N 3.33Å; T138-L143 HydrophobicContact CG2-CD1 4.29Å; T138-L143 HydrophobicContact CG2-CD2 3.99Å; T138-I178 HydrophobicContact CG2-CG2 4.38Å; T138-N181 WeakPolarHBondContact O-CB 3.34Å; T138-N181 PolarHBondContact OG1-ND2 2.97Å; T138-Y182 HydrophobicContact CG2-CD2 4.45Å; T138-Y182 HydrophobicContact CG2-CE2 3.77Å |
| 139 | Y | 90.2 | Very high | 89.7 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 0% | 0.004 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | 120.7 | -178.2 | 175.1 | -95.7 | 0 | 0 | 0 | 113 | Q135 C141 N181 L260 F263 Y264 D267 K311 | Q135-Y139 WeakPolarHBondContact O-CB 3.35Å; Q135-Y139 PolarHBondContact O-N 2.88Å; Q135-Y139 VanDerWaalsContact O-N 3.12Å; Y139-C141 PolarHBondContact O-N 2.94Å; Y139-N181 PolarHBondContact N-ND2 3.25Å; Y139-L260 HydrophobicContact CD1-CD2 3.9Å; Y139-L260 HydrophobicContact CD2-CD2 4.47Å; Y139-L260 HydrophobicContact CE1-CD2 4.44Å; Y139-L260 HydrophobicContact CG-CD2 3.91Å; Y139-F263 HydrophobicContact CD1-CD2 4.3Å; Y139-F263 HydrophobicContact CE1-CB 4.35Å; Y139-F263 AromaticContact CE1-CD2 3.53Å; Y139-F263 HydrophobicContact CE1-CD2 3.53Å; Y139-F263 HydrophobicContact CE1-CE2 4.29Å; Y139-F263 HydrophobicContact CE1-CG 4.41Å; Y139-F263 HydrophobicContact CE2-CB 4.19Å; Y139-F263 AromaticContact CZ-CD2 3.82Å; Y139-F263 WeakPolarHBondContact OH-CB 3.42Å; Y139-Y264 HydrophobicContact CD2-CD1 4.37Å; Y139-Y264 AromaticContact CD2-CE1 3.68Å; Y139-Y264 HydrophobicContact CD2-CE1 3.68Å; Y139-Y264 AromaticContact CD2-CZ 3.86Å; Y139-Y264 HydrophobicContact CE2-CD1 4.28Å; Y139-Y264 HydrophobicContact CE2-CE1 4.04Å; Y139-D267 WeakPolarHBondContact CE2-OD2 3.48Å; Y139-D267 PolarHBondContact OH-OD2 3.33Å; Y139-K311 VanDerWaalsContact OH-CE 3.25Å; Y139-K311 WeakPolarHBondContact OH-CE 3.43Å; Y139-K311 PolarHBondContact OH-NZ 2.6Å |
| 140 | N | 84.1 | Confident | 89.4 | Confident | 74 Ų | 74 | 32.1 Ų | 32.1 | 40% | 0.396 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 30.7 | -177.8 | -74.1 | -14.7 | 0 | 0 | 0 | 114.4 | T138 | T138-N140 PolarHBondContact O-N 3.33Š|
| 141 | C | 86.3 | Confident | 89.2 | Confident | 8 Ų | 8 | 36.5 Ų | 36.5 | 5% | 0.054 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -117.4 | 148.9 | 173.9 | -72 | 0 | 0 | 0 | 0 | 110.2 | Q101 F137 Y139 L143 Q185 | Q101-C141 HydrophobicContact CG-CB 3.7Å; F137-C141 WeakPolarHBondContact O-CB 3.29Å; Y139-C141 PolarHBondContact O-N 2.94Å; C141-L143 PolarHBondContact O-N 2.96Å; C141-Q185 VanDerWaalsContact O-CD 3.31Å; C141-Q185 PolarHBondContact O-NE2 3.4Å; C141-Q185 PolarHBondContact O-OE1 2.87Å; C141-Q185 VanDerWaalsContact O-OE1 3.05Å |
| 142 | H | 83.3 | Confident | 89.2 | Confident | 138 Ų | 138 | 36.5 Ų | 36.5 | 64% | 0.639 | 19% | 0.19 | S | C | * | . | trans | -65.8 | 118.4 | 178.8 | -174.5 | -60.2 | 0 | 0 | 0 | 110.7 | ||||
| 143 | L | 85.9 | Confident | 89.1 | Confident | 8 Ų | 8 | 33 Ų | 33 | 4% | 0.042 | 18% | 0.176 | C | C | . | . | trans | -104.2 | 153 | 177.7 | -61.6 | 177.2 | 0 | 0 | 0 | 111.3 | D107 T138 C141 N181 Y182 I186 | D107-L143 HydrophobicContact CB-CD2 4.29Å; T138-L143 HydrophobicContact CG2-CD1 4.29Å; T138-L143 HydrophobicContact CG2-CD2 3.99Å; C141-L143 PolarHBondContact O-N 2.96Å; L143-N181 HydrophobicContact CD1-CB 4.35Å; L143-Y182 HydrophobicContact CB-CD1 4.31Å; L143-Y182 HydrophobicContact CB-CE1 4.2Å; L143-Y182 HydrophobicContact CD1-CD1 3.9Å; L143-Y182 HydrophobicContact CD1-CD2 4.1Å; L143-Y182 HydrophobicContact CD1-CE1 4.09Å; L143-Y182 HydrophobicContact CD1-CE2 4.28Å; L143-Y182 HydrophobicContact CD1-CG 3.89Å; L143-Y182 HydrophobicContact CD2-CE1 4.48Å; L143-Y182 HydrophobicContact CG-CE1 4.48Å; L143-I186 HydrophobicContact CB-CD1 4.32Å | ||
| 144 | T | 83.1 | Confident | 88.9 | Confident | 63 Ų | 63 | 35.8 Ų | 35.8 | 39% | 0.387 | 19% | 0.19 | S | C | . | . | trans | -127.4 | 140.7 | 175.2 | 58.5 | 0 | 0 | 0 | 0 | 110.2 | H146 | T144-H146 PolarHBondContact O-CE1 3.2Å; T144-H146 PolarHBondContact O-N 3.34Å; T144-H146 PolarHBondContact O-ND1 2.91Å; T144-H146 PolarHBondContact OG1-ND1 3.34Å | ||
| 145 | W | 82.8 | Confident | 88.9 | Confident | 90 Ų | 90 | 37 Ų | 37 | 34% | 0.341 | 20% | 0.197 | S | C | . | . | trans | -84.7 | 112.1 | 176.6 | -166.9 | -117.8 | 0 | 0 | 0 | 110.1 | A149 A150 A153 Y182 I186 M189 | W145-A149 HydrophobicContact CE3-CB 3.91Å; W145-A149 HydrophobicContact CZ3-CB 4.08Å; W145-A150 HydrophobicContact CH2-CB 4.12Å; W145-A150 HydrophobicContact CZ2-CB 3.77Å; W145-A153 HydrophobicContact CH2-CB 3.96Å; W145-A153 HydrophobicContact CZ3-CB 4.35Å; W145-Y182 HydrophobicContact CE3-CD1 4.46Å; W145-I186 HydrophobicContact CB-CD1 3.91Å; W145-I186 HydrophobicContact CB-CG2 3.89Å; W145-I186 HydrophobicContact CD2-CG2 4.3Å; W145-I186 HydrophobicContact CE3-CD1 4.14Å; W145-I186 HydrophobicContact CE3-CG2 4.34Å; W145-I186 HydrophobicContact CG-CG2 4.14Å; W145-M189 HydrophobicContact CH2-CG 4.17Å; W145-M189 HydrophobicContact CZ3-CB 4.38Å; W145-M189 HydrophobicContact CZ3-CG 4.08Å | ||
| 146 | H | 80.9 | Confident | 88.9 | Confident | 44 Ų | 44 | 36.6 Ų | 36.6 | 20% | 0.204 | 20% | 0.195 | C | C | . | . | trans | -141.6 | 176.1 | 179.8 | 56.3 | -85.4 | 0 | 0 | 0 | 110.1 | T144 V148 A149 A150 | T144-H146 PolarHBondContact O-CE1 3.2Å; T144-H146 PolarHBondContact O-N 3.34Å; T144-H146 PolarHBondContact O-ND1 2.91Å; T144-H146 PolarHBondContact OG1-ND1 3.34Å; H146-V148 VanDerWaalsContact C-N 3.32Å; H146-V148 PolarHBondContact O-N 2.97Å; H146-A149 WeakPolarHBondContact O-CB 3.46Å; H146-A149 PolarHBondContact O-N 3.4Å; H146-A149 VanDerWaalsContact O-N 3.07Å; H146-A150 PolarHBondContact O-N 3.27Å; H146-A150 VanDerWaalsContact O-N 3.08Å | ||
| 147 | T | 85.6 | Confident | 88.7 | Confident | 110 Ų | 110 | 36.8 Ų | 36.8 | 68% | 0.675 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -56.3 | -44.1 | -173.5 | 52.8 | 0 | 0 | 0 | 0 | 112.9 | A149 A150 D151 | T147-A149 VanDerWaalsContact C-N 3.34Å; T147-A149 PolarHBondContact O-N 2.84Å; T147-A150 WeakPolarHBondContact O-CB 3.39Å; T147-A150 PolarHBondContact O-N 2.97Å; T147-D151 PolarHBondContact O-N 2.95Å |
| 148 | V | 88.4 | Confident | 88.6 | Confident | 25 Ų | 25 | 41.2 Ų | 41.2 | 15% | 0.152 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.8 | -39.9 | 178 | -179.6 | 0 | 0 | 0 | 0 | 111.6 | I108 I112 M115 H146 A150 D151 L152 | I108-V148 HydrophobicContact CG2-CG1 4.38Å; I108-V148 HydrophobicContact CG2-CG2 4.44Å; I112-V148 HydrophobicContact CG1-CG1 3.78Å; I112-V148 HydrophobicContact CG1-CG2 4.41Å; M115-V148 HydrophobicContact CE-CG1 3.78Å; H146-V148 VanDerWaalsContact C-N 3.32Å; H146-V148 PolarHBondContact O-N 2.97Å; V148-A150 VanDerWaalsContact C-N 3.32Å; V148-A150 PolarHBondContact O-N 3.29Å; V148-D151 PolarHBondContact O-N 2.96Å; V148-L152 WeakPolarHBondContact O-CB 3.26Å; V148-L152 PolarHBondContact O-N 3.27Å |
| 149 | A | 87.8 | Confident | 88.5 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.008 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.3 | -37.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | W145 H146 T147 A153 Y182 | W145-A149 HydrophobicContact CE3-CB 3.91Å; W145-A149 HydrophobicContact CZ3-CB 4.08Å; H146-A149 WeakPolarHBondContact O-CB 3.46Å; H146-A149 PolarHBondContact O-N 3.4Å; H146-A149 VanDerWaalsContact O-N 3.07Å; T147-A149 VanDerWaalsContact C-N 3.34Å; T147-A149 PolarHBondContact O-N 2.84Å; A149-A153 VanDerWaalsContact O-CB 3.24Å; A149-A153 WeakPolarHBondContact O-CB 3.46Å; A149-A153 PolarHBondContact O-N 3.46Å; A149-Y182 HydrophobicContact CB-CE1 3.8Å |
| 150 | A | 88.5 | Confident | 88.4 | Confident | 26 Ų | 26 | 42.5 Ų | 42.5 | 22% | 0.215 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.8 | -42.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | W145 H146 T147 V148 A153 N154 | W145-A150 HydrophobicContact CH2-CB 4.12Å; W145-A150 HydrophobicContact CZ2-CB 3.77Å; H146-A150 PolarHBondContact O-N 3.27Å; H146-A150 VanDerWaalsContact O-N 3.08Å; T147-A150 WeakPolarHBondContact O-CB 3.39Å; T147-A150 PolarHBondContact O-N 2.97Å; V148-A150 VanDerWaalsContact C-N 3.32Å; V148-A150 PolarHBondContact O-N 3.29Å; A150-A153 PolarHBondContact O-N 3.37Å; A150-N154 PolarHBondContact O-N 2.93Å |
| 151 | D | 93 | Very high | 88.6 | Confident | 93 Ų | 93 | 39.6 Ų | 39.6 | 50% | 0.497 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.9 | -42.9 | 176.5 | -65.9 | -31.5 | 0 | 0 | 0 | 111.5 | M115 T147 V148 N154 L155 | M115-D151 HydrophobicContact CE-CB 4.37Å; M115-D151 HydrophobicContact SD-CB 3.68Å; T147-D151 PolarHBondContact O-N 2.95Å; V148-D151 PolarHBondContact O-N 2.96Å; D151-N154 PolarHBondContact O-N 3.5Å; D151-L155 PolarHBondContact O-N 2.93Å |
| 152 | L | 94.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.6 | -49.1 | 172.8 | 174.9 | 71.1 | 0 | 0 | 0 | 110.8 | S111 V114 L134 V148 N154 L155 L156 I178 Y182 | S111-L152 WeakPolarHBondContact OG-CD2 3.1Å; V114-L152 HydrophobicContact CG1-CD1 4.42Å; L134-L152 HydrophobicContact CD2-CD1 4.03Å; L134-L152 HydrophobicContact CD2-CD2 3.78Å; V148-L152 WeakPolarHBondContact O-CB 3.26Å; V148-L152 PolarHBondContact O-N 3.27Å; L152-N154 PolarHBondContact O-N 3.14Å; L152-L155 WeakPolarHBondContact O-CB 3.44Å; L152-L155 PolarHBondContact O-N 3.17Å; L152-L155 VanDerWaalsContact O-N 3.08Å; L152-L156 HydrophobicContact CD1-CD1 4.08Å; L152-L156 HydrophobicContact CD1-CD2 4.23Å; L152-L156 HydrophobicContact CD1-CG 3.96Å; L152-L156 HydrophobicContact CD2-CD1 4.22Å; L152-L156 HydrophobicContact CG-CD1 3.86Å; L152-L156 HydrophobicContact CG-CG 4.1Å; L152-L156 WeakPolarHBondContact O-CG 3.48Å; L152-L156 PolarHBondContact O-N 3.44Å; L152-I178 HydrophobicContact CD2-CG2 4.33Å; L152-Y182 HydrophobicContact CD2-CE2 4.21Å |
| 153 | A | 91.1 | Very high | 88.7 | Confident | 4 Ų | 4 | 39 Ų | 39 | 3% | 0.033 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.7 | -40.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111 | W145 A149 A150 L156 Y157 L179 M189 W192 | W145-A153 HydrophobicContact CH2-CB 3.96Å; W145-A153 HydrophobicContact CZ3-CB 4.35Å; A149-A153 VanDerWaalsContact O-CB 3.24Å; A149-A153 WeakPolarHBondContact O-CB 3.46Å; A149-A153 PolarHBondContact O-N 3.46Å; A150-A153 PolarHBondContact O-N 3.37Å; A153-L156 PolarHBondContact O-N 3.41Å; A153-Y157 WeakPolarHBondContact O-CB 3.25Å; A153-Y157 PolarHBondContact O-N 2.99Å; A153-L179 HydrophobicContact CB-CD2 4.11Å; A153-M189 HydrophobicContact CB-CE 4.24Å; A153-W192 HydrophobicContact CB-CE3 4.49Å; A153-W192 HydrophobicContact CB-CH2 4.17Å; A153-W192 HydrophobicContact CB-CZ3 3.97Å |
| 154 | N | 92.4 | Very high | 88.3 | Confident | 58 Ų | 58 | 39.3 Ų | 39.3 | 31% | 0.31 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62.6 | -45.5 | 173.4 | -178.5 | 64.5 | 0 | 0 | 0 | 112.7 | A150 D151 L152 Y157 Q158 W192 | A150-N154 PolarHBondContact O-N 2.93Å; D151-N154 PolarHBondContact O-N 3.5Å; L152-N154 PolarHBondContact O-N 3.14Å; N154-Y157 PolarHBondContact O-N 2.84Å; N154-Q158 PolarHBondContact ND2-NE2 3.41Å; N154-Q158 WeakPolarHBondContact O-CB 3.49Å; N154-Q158 VanDerWaalsContact O-CG 3.28Å; N154-Q158 WeakPolarHBondContact O-CG 3.36Å; N154-Q158 PolarHBondContact O-N 2.96Å; N154-Q158 PolarHBondContact OD1-NE2 3.4Å; N154-W192 HydrophobicContact CB-CH2 4.22Å; N154-W192 HydrophobicContact CB-CZ2 4.08Å |
| 155 | L | 94.8 | Very high | 88 | Confident | 26 Ų | 26 | 43.3 Ų | 43.3 | 14% | 0.136 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.8 | -53.1 | 174.6 | 172.8 | 63.9 | 0 | 0 | 0 | 111.3 | V114 M115 R118 D151 L152 Y157 Q158 E159 | V114-L155 HydrophobicContact CG1-CD2 4.37Å; M115-L155 HydrophobicContact CB-CD2 4.36Å; M115-L155 HydrophobicContact CG-CD2 3.78Å; R118-L155 HydrophobicContact CG-CD1 4.13Å; D151-L155 PolarHBondContact O-N 2.93Å; L152-L155 WeakPolarHBondContact O-CB 3.44Å; L152-L155 PolarHBondContact O-N 3.17Å; L152-L155 VanDerWaalsContact O-N 3.08Å; L155-Y157 VanDerWaalsContact C-N 3.3Å; L155-Y157 PolarHBondContact O-N 3.4Å; L155-Q158 PolarHBondContact O-N 3.26Å; L155-E159 HydrophobicContact CD1-CG 4.23Å; L155-E159 VanDerWaalsContact O-CG 3.31Å; L155-E159 WeakPolarHBondContact O-CG 3.45Å; L155-E159 PolarHBondContact O-N 2.84Å |
| 156 | L | 93.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.8 | -39.7 | -178.6 | -62.4 | 179.2 | 0 | 0 | 0 | 111.6 | L131 L152 A153 E159 I160 C175 I178 L179 | L131-L156 HydrophobicContact CD2-CD2 3.58Å; L152-L156 HydrophobicContact CD1-CD1 4.08Å; L152-L156 HydrophobicContact CD1-CD2 4.23Å; L152-L156 HydrophobicContact CD1-CG 3.96Å; L152-L156 HydrophobicContact CD2-CD1 4.22Å; L152-L156 HydrophobicContact CG-CD1 3.86Å; L152-L156 HydrophobicContact CG-CG 4.1Å; L152-L156 WeakPolarHBondContact O-CG 3.48Å; L152-L156 PolarHBondContact O-N 3.44Å; A153-L156 PolarHBondContact O-N 3.41Å; L156-E159 PolarHBondContact O-N 2.84Å; L156-I160 WeakPolarHBondContact O-CD1 3.34Å; L156-I160 WeakPolarHBondContact O-CG1 3.35Å; L156-I160 PolarHBondContact O-N 3.01Å; L156-C175 HydrophobicContact CB-CB 4.41Å; L156-C175 HydrophobicContact CD2-CB 4.13Å; L156-I178 HydrophobicContact CD1-CB 3.82Å; L156-I178 HydrophobicContact CD1-CD1 4.33Å; L156-I178 HydrophobicContact CD1-CG2 3.52Å; L156-L179 HydrophobicContact CB-CD1 4.3Å; L156-L179 HydrophobicContact CB-CD2 3.95Å; L156-L179 HydrophobicContact CB-CG 4.06Å; L156-L179 HydrophobicContact CD1-CD2 4.01Å; L156-L179 HydrophobicContact CD1-CG 4.21Å |
| 157 | Y | 90.9 | Very high | 87.2 | Confident | 4 Ų | 4 | 42.3 Ų | 42.3 | 2% | 0.016 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62 | -43.9 | 176 | -177.4 | -90 | 0 | 0 | 0 | 111.9 | A153 N154 L155 I160 C161 W192 I193 Q196 N198 L199 F202 | A153-Y157 WeakPolarHBondContact O-CB 3.25Å; A153-Y157 PolarHBondContact O-N 2.99Å; N154-Y157 PolarHBondContact O-N 2.84Å; L155-Y157 VanDerWaalsContact C-N 3.3Å; L155-Y157 PolarHBondContact O-N 3.4Å; Y157-I160 PolarHBondContact O-N 3.33Å; Y157-C161 WeakPolarHBondContact CE1-SG 3.5Å; Y157-C161 PolarHBondContact O-N 2.99Å; Y157-C161 PolarHBondContact O-SG 3.49Å; Y157-W192 HydrophobicContact CG-CH2 4.4Å; Y157-I193 HydrophobicContact CE2-CG2 4.16Å; Y157-Q196 HydrophobicContact CD1-CG 4.37Å; Y157-Q196 HydrophobicContact CD2-CG 4.39Å; Y157-Q196 HydrophobicContact CE1-CB 3.74Å; Y157-Q196 HydrophobicContact CE1-CG 4Å; Y157-Q196 HydrophobicContact CE2-CB 4.09Å; Y157-Q196 HydrophobicContact CE2-CG 4.01Å; Y157-Q196 VanDerWaalsContact CZ-CB 3.47Å; Y157-Q196 WeakPolarHBondContact OH-CB 3.49Å; Y157-N198 HydrophobicContact CE1-CB 4.27Å; Y157-N198 PolarHBondContact OH-O 3.2Å; Y157-L199 VanDerWaalsContact OH-CA 3.26Å; Y157-L199 WeakPolarHBondContact OH-CA 3.47Å; Y157-L199 PolarHBondContact OH-N 2.96Å; Y157-L199 VanDerWaalsContact OH-N 3.14Å; Y157-F202 AromaticContact CD2-CD2 3.6Å; Y157-F202 HydrophobicContact CD2-CD2 3.6Å; Y157-F202 AromaticContact CD2-CE2 3.95Å; Y157-F202 HydrophobicContact CD2-CE2 3.95Å; Y157-F202 HydrophobicContact CD2-CG 4.19Å; Y157-F202 HydrophobicContact CE2-CB 3.72Å; Y157-F202 HydrophobicContact CE2-CD1 4.3Å; Y157-F202 AromaticContact CE2-CD2 3.47Å; Y157-F202 HydrophobicContact CE2-CD2 3.47Å; Y157-F202 VanDerWaalsContact CE2-CD2 3.47Å; Y157-F202 HydrophobicContact CE2-CE2 4.14Å; Y157-F202 AromaticContact CE2-CG 3.57Å; Y157-F202 HydrophobicContact CE2-CG 3.57Å |
| 158 | Q | 91.4 | Very high | 86.5 | Confident | 93 Ų | 93 | 44.7 Ų | 44.7 | 44% | 0.435 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64.4 | -43.4 | 175.7 | -71.9 | 179.4 | 5.6 | 0 | 0 | 111.7 | N154 L155 I160 C161 N162 | N154-Q158 PolarHBondContact ND2-NE2 3.41Å; N154-Q158 WeakPolarHBondContact O-CB 3.49Å; N154-Q158 VanDerWaalsContact O-CG 3.28Å; N154-Q158 WeakPolarHBondContact O-CG 3.36Å; N154-Q158 PolarHBondContact O-N 2.96Å; N154-Q158 PolarHBondContact OD1-NE2 3.4Å; L155-Q158 PolarHBondContact O-N 3.26Å; Q158-I160 VanDerWaalsContact C-N 3.29Å; Q158-I160 PolarHBondContact O-N 2.97Å; Q158-C161 PolarHBondContact O-N 3.43Å; Q158-N162 WeakPolarHBondContact O-CB 3.33Å; Q158-N162 PolarHBondContact O-N 3.48Å; Q158-N162 PolarHBondContact O-ND2 2.96Å |
| 159 | E | 90.2 | Very high | 86.2 | Confident | 28 Ų | 28 | 44.4 Ų | 44.4 | 13% | 0.131 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.7 | -42 | 175.1 | -68.8 | -71.9 | 173.2 | 0 | 0 | 111.6 | R118 F127 L155 L156 N162 C163 | R118-E159 IonicContact CZ-OE1 2.91Å; R118-E159 IonicContact NE-OE1 3.3Å; R118-E159 PolarHBondContact NE-OE1 3.41Å; R118-E159 IonicContact NH2-OE1 3.34Å; R118-E159 IonicContact NH2-OE2 2.92Å; F127-E159 HydrophobicContact CZ-CG 4.34Å; L155-E159 HydrophobicContact CD1-CG 4.23Å; L155-E159 VanDerWaalsContact O-CG 3.31Å; L155-E159 WeakPolarHBondContact O-CG 3.45Å; L155-E159 PolarHBondContact O-N 2.84Å; L156-E159 PolarHBondContact O-N 2.84Å; E159-N162 PolarHBondContact O-N 2.96Å; E159-C163 PolarHBondContact O-N 3.13Å; E159-C163 PolarHBondContact O-SG 3.3Å |
| 160 | I | 88.3 | Confident | 85.9 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.4 | -43.5 | 177.4 | -66.8 | 160.1 | 0 | 0 | 0 | 111.7 | L156 Y157 Q158 N162 C163 L172 C175 L176 L179 F202 T205 | L156-I160 WeakPolarHBondContact O-CD1 3.34Å; L156-I160 WeakPolarHBondContact O-CG1 3.35Å; L156-I160 PolarHBondContact O-N 3.01Å; Y157-I160 PolarHBondContact O-N 3.33Å; Q158-I160 VanDerWaalsContact C-N 3.29Å; Q158-I160 PolarHBondContact O-N 2.97Å; I160-N162 VanDerWaalsContact C-N 3.29Å; I160-N162 PolarHBondContact O-N 3.08Å; I160-C163 PolarHBondContact O-N 2.98Å; I160-L172 HydrophobicContact CB-CD1 4.23Å; I160-L172 HydrophobicContact CG1-CD1 3.86Å; I160-L172 HydrophobicContact CG2-CD1 4.08Å; I160-C175 HydrophobicContact CD1-CB 3.98Å; I160-C175 HydrophobicContact CG1-CB 3.84Å; I160-L176 HydrophobicContact CD1-CD2 3.69Å; I160-L176 HydrophobicContact CD1-CG 3.86Å; I160-L176 HydrophobicContact CG1-CD2 4.28Å; I160-L176 HydrophobicContact CG1-CG 4.13Å; I160-L176 HydrophobicContact CG2-CD2 4.25Å; I160-L179 HydrophobicContact CD1-CD1 3.32Å; I160-L179 HydrophobicContact CD1-CG 4.38Å; I160-F202 HydrophobicContact CB-CD2 4.15Å; I160-F202 HydrophobicContact CB-CE2 4.33Å; I160-F202 HydrophobicContact CD1-CD2 4.5Å; I160-F202 HydrophobicContact CD1-CE2 3.86Å; I160-F202 HydrophobicContact CG2-CD2 3.55Å; I160-F202 HydrophobicContact CG2-CE2 3.81Å; I160-F202 HydrophobicContact CG2-CG 4.49Å; I160-T205 HydrophobicContact CG2-CG2 3.99Å; I160-T205 WeakPolarHBondContact O-CG2 3.44Å; I160-T205 PolarHBondContact O-OG1 2.9Å; I160-T205 VanDerWaalsContact O-OG1 3.07Å |
| 161 | C | 88.6 | Confident | 85.8 | Confident | 12 Ų | 12 | 50.3 Ų | 50.3 | 8% | 0.081 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.8 | -41.1 | 176.3 | -68.2 | 0 | 0 | 0 | 0 | 111.4 | Y157 Q158 C163 C164 E201 | Y157-C161 WeakPolarHBondContact CE1-SG 3.5Å; Y157-C161 PolarHBondContact O-N 2.99Å; Y157-C161 PolarHBondContact O-SG 3.49Å; Q158-C161 PolarHBondContact O-N 3.43Å; C161-C163 PolarHBondContact O-N 2.89Å; C161-C164 WeakPolarHBondContact O-CB 3.45Å; C161-C164 PolarHBondContact O-N 3Å; C161-E201 HydrophobicContact CB-CB 4.38Å |
| 162 | N | 86.3 | Confident | 85.5 | Confident | 122 Ų | 122 | 46 Ų | 46 | 65% | 0.652 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -66.6 | -22.5 | 178.8 | -67.9 | -19.6 | 0 | 0 | 0 | 112.9 | Q158 E159 I160 C164 | Q158-N162 WeakPolarHBondContact O-CB 3.33Å; Q158-N162 PolarHBondContact O-N 3.48Å; Q158-N162 PolarHBondContact O-ND2 2.96Å; E159-N162 PolarHBondContact O-N 2.96Å; I160-N162 VanDerWaalsContact C-N 3.29Å; I160-N162 PolarHBondContact O-N 3.08Å; N162-C164 VanDerWaalsContact C-N 3.3Å; N162-C164 PolarHBondContact O-N 3.19Å |
| 163 | C | 84.1 | Confident | 84.7 | Confident | 11 Ų | 11 | 48 Ų | 48 | 7% | 0.074 | 25% | 0.25 | C | C | . | . | G | 310 helix | trans | -82.9 | 3.3 | 177.4 | -66.2 | 0 | 0 | 0 | 0 | 114.3 | E159 I160 C161 D165 N166 A169 L172 T205 | E159-C163 PolarHBondContact O-N 3.13Å; E159-C163 PolarHBondContact O-SG 3.3Å; I160-C163 PolarHBondContact O-N 2.98Å; C161-C163 PolarHBondContact O-N 2.89Å; C163-D165 PolarHBondContact O-N 2.95Å; C163-N166 CarbonylContact O-C 3.4Å; C163-N166 PolarHBondContact O-N 2.75Å; C163-A169 HydrophobicContact CB-CB 4.39Å; C163-A169 VanDerWaalsContact SG-CB 3.53Å; C163-L172 HydrophobicContact CB-CD1 4.1Å; C163-L172 HydrophobicContact CB-CD2 4.11Å; C163-T205 HydrophobicContact CB-CG2 4.22Å |
| 164 | C | 78.7 | Confident | 84.5 | Confident | 15 Ų | 15 | 49.9 Ų | 49.9 | 10% | 0.101 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -56.6 | -34.5 | -177.6 | -172.9 | 0 | 0 | 0 | 0 | 113.3 | C161 N162 R204 T205 L208 | C161-C164 WeakPolarHBondContact O-CB 3.45Å; C161-C164 PolarHBondContact O-N 3Å; N162-C164 VanDerWaalsContact C-N 3.3Å; N162-C164 PolarHBondContact O-N 3.19Å; C164-R204 VanDerWaalsContact SG-CD 3.55Å; C164-T205 VanDerWaalsContact CA-OG1 3.22Å; C164-T205 WeakPolarHBondContact CA-OG1 3.36Å; C164-T205 WeakPolarHBondContact CB-OG1 3.45Å; C164-T205 PolarHBondContact N-OG1 3.33Å; C164-L208 WeakPolarHBondContact O-CD1 3.48Å |
| 165 | D | 76.2 | Confident | 84.4 | Confident | 147 Ų | 147 | 47.2 Ų | 47.2 | 79% | 0.786 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | -90.5 | -11.6 | 176.8 | -65.5 | -37.9 | 0 | 0 | 0 | 113.5 | C163 | C163-D165 PolarHBondContact O-N 2.95Š|
| 166 | N | 76.9 | Confident | 83.9 | Confident | 92 Ų | 92 | 46 Ų | 46 | 49% | 0.492 | 24% | 0.236 | S | C | . | . | trans | -135.9 | 74.5 | 179.3 | -173.2 | 18.5 | 0 | 0 | 0 | 112 | C163 K168 A169 | C163-N166 CarbonylContact O-C 3.4Å; C163-N166 PolarHBondContact O-N 2.75Å; N166-K168 PolarHBondContact O-N 3.45Å; N166-A169 WeakPolarHBondContact O-CB 3.38Å; N166-A169 PolarHBondContact O-N 3.42Å | ||
| 167 | P | 68.9 | Low | 83.4 | Confident | 22 Ų | 22 | 46 Ų | 46 | 14% | 0.143 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -8.3 | 179.8 | 26.3 | -35.8 | 0 | 0 | 0 | 114.2 | A169 L208 | P167-A169 VanDerWaalsContact C-N 3.31Å; P167-L208 HydrophobicContact CB-CB 4.28Å |
| 168 | K | 71.9 | Confident | 83.3 | Confident | 160 Ų | 160 | 45.8 Ų | 45.8 | 70% | 0.696 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | 10.7 | 176.7 | -62.6 | -173.4 | 177.1 | -173 | 0 | 113.4 | N166 E170 | N166-K168 PolarHBondContact O-N 3.45Å; K168-E170 PolarHBondContact O-N 3.29Å |
| 169 | A | 81 | Confident | 83.2 | Confident | 18 Ų | 18 | 41.4 Ų | 41.4 | 15% | 0.149 | 21% | 0.214 | C | C | . | . | trans | -61 | 126 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | C163 N166 P167 S171 L172 P173 | C163-A169 HydrophobicContact CB-CB 4.39Å; C163-A169 VanDerWaalsContact SG-CB 3.53Å; N166-A169 WeakPolarHBondContact O-CB 3.38Å; N166-A169 PolarHBondContact O-N 3.42Å; P167-A169 VanDerWaalsContact C-N 3.31Å; A169-S171 PolarHBondContact O-N 2.98Å; A169-L172 HydrophobicContact CB-CB 4.24Å; A169-L172 VanDerWaalsContact O-CB 3.3Å; A169-L172 WeakPolarHBondContact O-CB 3.43Å; A169-L172 PolarHBondContact O-N 2.82Å; A169-L172 VanDerWaalsContact O-N 3.15Å; A169-P173 WeakPolarHBondContact O-CD 3.36Å | ||
| 170 | E | 83 | Confident | 82.7 | Confident | 147 Ų | 147 | 40.1 Ų | 40.1 | 69% | 0.687 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -24.2 | -176.6 | -67 | -176.7 | -178.6 | 0 | 0 | 113.4 | I128 K168 P173 Y174 | I128-E170 HydrophobicContact CD1-CB 3.61Å; K168-E170 PolarHBondContact O-N 3.29Å; E170-P173 WeakPolarHBondContact O-CD 3.42Å; E170-Y174 VanDerWaalsContact O-CD2 3.23Å; E170-Y174 WeakPolarHBondContact O-CD2 2.94Å; E170-Y174 WeakPolarHBondContact O-CE2 3.46Å |
| 171 | S | 86.4 | Confident | 82.7 | Confident | 5 Ų | 5 | 40.3 Ų | 40.3 | 4% | 0.035 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -27.3 | 177.1 | 56.6 | 0 | 0 | 0 | 0 | 113.2 | A169 Y174 C175 | A169-S171 PolarHBondContact O-N 2.98Å; S171-Y174 PolarHBondContact O-N 2.64Å; S171-Y174 VanDerWaalsContact O-N 3.11Å; S171-C175 PolarHBondContact O-N 2.97Å; S171-C175 PolarHBondContact O-SG 3.04Å; S171-C175 VanDerWaalsContact O-SG 3.41Å |
| 172 | L | 85.2 | Confident | 82.6 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -56.8 | -43.6 | -171.6 | -178.6 | 60.7 | 0 | 0 | 0 | 113.8 | I160 C163 A169 Y174 C175 L176 T205 V209 | I160-L172 HydrophobicContact CB-CD1 4.23Å; I160-L172 HydrophobicContact CG1-CD1 3.86Å; I160-L172 HydrophobicContact CG2-CD1 4.08Å; C163-L172 HydrophobicContact CB-CD1 4.1Å; C163-L172 HydrophobicContact CB-CD2 4.11Å; A169-L172 HydrophobicContact CB-CB 4.24Å; A169-L172 VanDerWaalsContact O-CB 3.3Å; A169-L172 WeakPolarHBondContact O-CB 3.43Å; A169-L172 PolarHBondContact O-N 2.82Å; A169-L172 VanDerWaalsContact O-N 3.15Å; L172-Y174 VanDerWaalsContact C-N 3.31Å; L172-Y174 PolarHBondContact O-N 2.8Å; L172-C175 PolarHBondContact O-N 3.12Å; L172-L176 HydrophobicContact CD1-CD1 3.8Å; L172-L176 HydrophobicContact CD1-CG 4.16Å; L172-L176 HydrophobicContact CG-CD1 4.01Å; L172-L176 WeakPolarHBondContact O-CB 3.46Å; L172-L176 PolarHBondContact O-N 3.5Å; L172-L176 VanDerWaalsContact O-N 3.09Å; L172-T205 HydrophobicContact CD1-CG2 3.86Å; L172-T205 HydrophobicContact CD2-CG2 3.87Å; L172-V209 HydrophobicContact CD2-CG2 3.42Å; L172-V209 VanDerWaalsContact CD2-CG2 3.42Å; L172-V209 HydrophobicContact CG-CG2 4.16Å |
| 173 | P | 79 | Confident | 82.4 | Confident | 43 Ų | 43 | 34.1 Ų | 34.1 | 28% | 0.279 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -60.6 | -38.4 | 176.8 | -19.5 | 29.8 | 0 | 0 | 0 | 114.5 | A169 E170 G177 M217 | A169-P173 WeakPolarHBondContact O-CD 3.36Å; E170-P173 WeakPolarHBondContact O-CD 3.42Å; P173-G177 PolarHBondContact O-N 3.11Å; P173-M217 HydrophobicContact CB-CE 3.85Å; P173-M217 HydrophobicContact CB-CG 4.09Å; P173-M217 HydrophobicContact CB-SD 3.94Å; P173-M217 HydrophobicContact CG-CE 4.17Å; P173-M217 HydrophobicContact CG-CG 4.15Å; P173-M217 HydrophobicContact CG-SD 3.68Å |
| 174 | Y | 87.6 | Confident | 82.1 | Confident | 44 Ų | 44 | 36.3 Ų | 36.3 | 17% | 0.173 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -73.8 | -43.7 | -178.9 | -53.1 | -72.6 | 0 | 0 | 0 | 111.2 | I128 L131 K132 Q135 E170 S171 L172 L176 G177 I178 | I128-Y174 HydrophobicContact CG2-CD2 3.97Å; I128-Y174 HydrophobicContact CG2-CE2 3.5Å; L131-Y174 HydrophobicContact CB-CG 4.28Å; K132-Y174 HydrophobicContact CB-CD1 3.92Å; K132-Y174 HydrophobicContact CB-CE1 3.74Å; K132-Y174 HydrophobicContact CD-CE1 4.2Å; K132-Y174 HydrophobicContact CG-CD1 4.33Å; K132-Y174 HydrophobicContact CG-CE1 3.8Å; Q135-Y174 VanDerWaalsContact OE1-CD1 3.31Å; E170-Y174 VanDerWaalsContact O-CD2 3.23Å; E170-Y174 WeakPolarHBondContact O-CD2 2.94Å; E170-Y174 WeakPolarHBondContact O-CE2 3.46Å; S171-Y174 PolarHBondContact O-N 2.64Å; S171-Y174 VanDerWaalsContact O-N 3.11Å; L172-Y174 VanDerWaalsContact C-N 3.31Å; L172-Y174 PolarHBondContact O-N 2.8Å; Y174-L176 PolarHBondContact O-N 3.47Å; Y174-G177 PolarHBondContact O-N 3.36Å; Y174-I178 WeakPolarHBondContact O-CD1 3.1Å; Y174-I178 VanDerWaalsContact O-CG1 3.26Å; Y174-I178 WeakPolarHBondContact O-CG1 3.4Å; Y174-I178 PolarHBondContact O-N 2.64Å |
| 175 | C | 90.2 | Very high | 82.3 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.007 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.4 | -50.1 | 176.3 | -65.1 | 0 | 0 | 0 | 0 | 111.5 | L131 L156 I160 S171 L172 G177 I178 L179 | L131-C175 VanDerWaalsContact CD1-SG 3.57Å; L156-C175 HydrophobicContact CB-CB 4.41Å; L156-C175 HydrophobicContact CD2-CB 4.13Å; I160-C175 HydrophobicContact CD1-CB 3.98Å; I160-C175 HydrophobicContact CG1-CB 3.84Å; S171-C175 PolarHBondContact O-N 2.97Å; S171-C175 PolarHBondContact O-SG 3.04Å; S171-C175 VanDerWaalsContact O-SG 3.41Å; L172-C175 PolarHBondContact O-N 3.12Å; C175-G177 PolarHBondContact O-N 3.03Å; C175-I178 PolarHBondContact O-N 3.11Å; C175-L179 WeakPolarHBondContact O-CG 3.45Å; C175-L179 PolarHBondContact O-N 3.31Å |
| 176 | L | 83.6 | Confident | 82.6 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.5 | -42.3 | 178.6 | -80.2 | 170.3 | 0 | 0 | 0 | 111.8 | I160 L172 Y174 I178 L179 L180 F202 V206 V209 M217 N219 I222 | I160-L176 HydrophobicContact CD1-CD2 3.69Å; I160-L176 HydrophobicContact CD1-CG 3.86Å; I160-L176 HydrophobicContact CG1-CD2 4.28Å; I160-L176 HydrophobicContact CG1-CG 4.13Å; I160-L176 HydrophobicContact CG2-CD2 4.25Å; L172-L176 HydrophobicContact CD1-CD1 3.8Å; L172-L176 HydrophobicContact CD1-CG 4.16Å; L172-L176 HydrophobicContact CG-CD1 4.01Å; L172-L176 WeakPolarHBondContact O-CB 3.46Å; L172-L176 PolarHBondContact O-N 3.5Å; L172-L176 VanDerWaalsContact O-N 3.09Å; Y174-L176 PolarHBondContact O-N 3.47Å; L176-I178 PolarHBondContact O-N 3.4Å; L176-L179 PolarHBondContact O-N 3.04Å; L176-L180 WeakPolarHBondContact O-CB 3.38Å; L176-L180 PolarHBondContact O-N 3.27Å; L176-F202 HydrophobicContact CD2-CE2 4.38Å; L176-F202 HydrophobicContact CD2-CZ 4.4Å; L176-V206 HydrophobicContact CD2-CG2 3.8Å; L176-V209 HydrophobicContact CD1-CG2 4.4Å; L176-M217 HydrophobicContact CB-CE 4.32Å; L176-M217 HydrophobicContact CD1-CE 3.54Å; L176-N219 WeakPolarHBondContact CB-ND2 3.4Å; L176-I222 HydrophobicContact CB-CD1 3.59Å; L176-I222 HydrophobicContact CD2-CD1 3.61Å; L176-I222 HydrophobicContact CG-CD1 4.15Å; L176-I222 VanDerWaalsContact O-CD1 3.3Å; L176-I222 WeakPolarHBondContact O-CD1 3.34Å |
| 177 | G | 82.2 | Confident | 82.6 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67 | -33.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114 | P173 Y174 C175 L180 N181 Y264 | P173-G177 PolarHBondContact O-N 3.11Å; Y174-G177 PolarHBondContact O-N 3.36Å; C175-G177 PolarHBondContact O-N 3.03Å; G177-L180 WeakPolarHBondContact O-CB 3.35Å; G177-N181 PolarHBondContact O-N 3.21Å; G177-N181 VanDerWaalsContact O-N 3.12Å; G177-N181 PolarHBondContact O-ND2 3.22Å; G177-N181 PolarHBondContact O-OD1 3.43Å; G177-Y264 PolarHBondContact O-OH 3.34Å |
| 178 | I | 90.2 | Very high | 83.1 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.9 | -47.9 | 172.9 | -66.1 | 158.1 | 0 | 0 | 0 | 110 | L131 L134 Q135 T138 L152 L156 Y174 C175 L176 L180 N181 Y182 | L131-I178 HydrophobicContact CB-CD1 4.3Å; L131-I178 HydrophobicContact CD2-CD1 3.75Å; L134-I178 HydrophobicContact CB-CD1 4.12Å; L134-I178 HydrophobicContact CD2-CD1 3.95Å; L134-I178 HydrophobicContact CG-CD1 3.93Å; L134-I178 HydrophobicContact CG-CG1 4.31Å; L134-I178 HydrophobicContact CG-CG2 4.48Å; Q135-I178 HydrophobicContact CB-CD1 4.49Å; Q135-I178 HydrophobicContact CB-CG1 3.87Å; Q135-I178 HydrophobicContact CG-CG1 4.26Å; T138-I178 HydrophobicContact CG2-CG2 4.38Å; L152-I178 HydrophobicContact CD2-CG2 4.33Å; L156-I178 HydrophobicContact CD1-CB 3.82Å; L156-I178 HydrophobicContact CD1-CD1 4.33Å; L156-I178 HydrophobicContact CD1-CG2 3.52Å; Y174-I178 WeakPolarHBondContact O-CD1 3.1Å; Y174-I178 VanDerWaalsContact O-CG1 3.26Å; Y174-I178 WeakPolarHBondContact O-CG1 3.4Å; Y174-I178 PolarHBondContact O-N 2.64Å; C175-I178 PolarHBondContact O-N 3.11Å; L176-I178 PolarHBondContact O-N 3.4Å; I178-L180 PolarHBondContact O-N 2.99Å; I178-N181 WeakPolarHBondContact O-CB 3.39Å; I178-N181 PolarHBondContact O-N 2.87Å; I178-N181 VanDerWaalsContact O-N 3.1Å; I178-Y182 HydrophobicContact CG2-CD2 3.97Å; I178-Y182 HydrophobicContact CG2-CE2 3.92Å; I178-Y182 WeakPolarHBondContact O-CD2 3.45Å; I178-Y182 PolarHBondContact O-N 2.92Å |
| 179 | L | 87.8 | Confident | 83.6 | Confident | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.8 | -37.9 | 177.9 | -68.6 | -179.6 | 0 | 0 | 0 | 111.6 | A153 L156 I160 C175 L176 Y182 A183 M189 I193 F202 F226 | A153-L179 HydrophobicContact CB-CD2 4.11Å; L156-L179 HydrophobicContact CB-CD1 4.3Å; L156-L179 HydrophobicContact CB-CD2 3.95Å; L156-L179 HydrophobicContact CB-CG 4.06Å; L156-L179 HydrophobicContact CD1-CD2 4.01Å; L156-L179 HydrophobicContact CD1-CG 4.21Å; I160-L179 HydrophobicContact CD1-CD1 3.32Å; I160-L179 HydrophobicContact CD1-CG 4.38Å; C175-L179 WeakPolarHBondContact O-CG 3.45Å; C175-L179 PolarHBondContact O-N 3.31Å; L176-L179 PolarHBondContact O-N 3.04Å; L179-Y182 PolarHBondContact O-N 2.95Å; L179-A183 PolarHBondContact O-N 3.18Å; L179-M189 HydrophobicContact CB-CE 3.81Å; L179-M189 HydrophobicContact CD2-CE 3.15Å; L179-M189 HydrophobicContact CG-CE 4.03Å; L179-I193 HydrophobicContact CD1-CD1 4.44Å; L179-F202 HydrophobicContact CD1-CE2 4.16Å; L179-F226 HydrophobicContact CB-CZ 4.4Å |
| 180 | L | 81.4 | Confident | 83.4 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -56.5 | -50.6 | 172.6 | 176.5 | 51.8 | 0 | 0 | 0 | 112.2 | L176 G177 I178 Y182 A183 R184 E221 I222 Y264 | L176-L180 WeakPolarHBondContact O-CB 3.38Å; L176-L180 PolarHBondContact O-N 3.27Å; G177-L180 WeakPolarHBondContact O-CB 3.35Å; I178-L180 PolarHBondContact O-N 2.99Å; L180-Y182 VanDerWaalsContact C-N 3.25Å; L180-Y182 PolarHBondContact O-N 3.24Å; L180-A183 PolarHBondContact O-N 2.94Å; L180-A183 VanDerWaalsContact O-N 3.17Å; L180-R184 HydrophobicContact CD1-CG 3.86Å; L180-R184 HydrophobicContact CG-CG 4.42Å; L180-R184 WeakPolarHBondContact O-CG 3.47Å; L180-R184 PolarHBondContact O-N 3.34Å; L180-E221 HydrophobicContact CD1-CB 3.75Å; L180-E221 WeakPolarHBondContact CD1-O 3.33Å; L180-E221 HydrophobicContact CD2-CB 3.73Å; L180-E221 HydrophobicContact CG-CB 4.34Å; L180-I222 HydrophobicContact CB-CD1 4.27Å; L180-I222 HydrophobicContact CB-CG1 3.67Å; L180-I222 HydrophobicContact CD1-CB 4.5Å; L180-I222 HydrophobicContact CD1-CG1 3.92Å; L180-I222 HydrophobicContact CD2-CG1 4.09Å; L180-I222 HydrophobicContact CG-CG1 4.1Å; L180-Y264 HydrophobicContact CD2-CD1 3.62Å; L180-Y264 HydrophobicContact CD2-CE1 3.68Å; L180-Y264 HydrophobicContact CD2-CG 4.37Å; L180-Y264 HydrophobicContact CG-CE1 4.3Å |
| 181 | N | 87.1 | Confident | 83.2 | Confident | 4 Ų | 4 | 27.5 Ų | 27.5 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.6 | -40.3 | -177.8 | -69.7 | -20.9 | 0 | 0 | 0 | 111.9 | Q135 T138 Y139 L143 G177 I178 Y264 | Q135-N181 PolarHBondContact O-ND2 3.5Å; T138-N181 WeakPolarHBondContact O-CB 3.34Å; T138-N181 PolarHBondContact OG1-ND2 2.97Å; Y139-N181 PolarHBondContact N-ND2 3.25Å; L143-N181 HydrophobicContact CD1-CB 4.35Å; G177-N181 PolarHBondContact O-N 3.21Å; G177-N181 VanDerWaalsContact O-N 3.12Å; G177-N181 PolarHBondContact O-ND2 3.22Å; G177-N181 PolarHBondContact O-OD1 3.43Å; I178-N181 WeakPolarHBondContact O-CB 3.39Å; I178-N181 PolarHBondContact O-N 2.87Å; I178-N181 VanDerWaalsContact O-N 3.1Å; N181-Y264 PolarHBondContact ND2-OH 3.02Å; N181-Y264 VanDerWaalsContact OD1-CE1 3.27Å; N181-Y264 WeakPolarHBondContact OD1-CE1 3.42Å; N181-Y264 PolarHBondContact OD1-OH 2.79Å |
| 182 | Y | 87.2 | Confident | 83 | Confident | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.016 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.5 | -48.4 | 174.5 | -83.6 | -85.4 | 0 | 0 | 0 | 111.7 | T138 L143 W145 A149 L152 I178 L179 L180 R184 Q185 I186 M189 | T138-Y182 HydrophobicContact CG2-CD2 4.45Å; T138-Y182 HydrophobicContact CG2-CE2 3.77Å; L143-Y182 HydrophobicContact CB-CD1 4.31Å; L143-Y182 HydrophobicContact CB-CE1 4.2Å; L143-Y182 HydrophobicContact CD1-CD1 3.9Å; L143-Y182 HydrophobicContact CD1-CD2 4.1Å; L143-Y182 HydrophobicContact CD1-CE1 4.09Å; L143-Y182 HydrophobicContact CD1-CE2 4.28Å; L143-Y182 HydrophobicContact CD1-CG 3.89Å; L143-Y182 HydrophobicContact CD2-CE1 4.48Å; L143-Y182 HydrophobicContact CG-CE1 4.48Å; W145-Y182 HydrophobicContact CE3-CD1 4.46Å; A149-Y182 HydrophobicContact CB-CE1 3.8Å; L152-Y182 HydrophobicContact CD2-CE2 4.21Å; I178-Y182 HydrophobicContact CG2-CD2 3.97Å; I178-Y182 HydrophobicContact CG2-CE2 3.92Å; I178-Y182 WeakPolarHBondContact O-CD2 3.45Å; I178-Y182 PolarHBondContact O-N 2.92Å; L179-Y182 PolarHBondContact O-N 2.95Å; L180-Y182 VanDerWaalsContact C-N 3.25Å; L180-Y182 PolarHBondContact O-N 3.24Å; Y182-R184 VanDerWaalsContact C-N 3.28Å; Y182-R184 PolarHBondContact O-N 3.41Å; Y182-Q185 PolarHBondContact O-N 3.46Å; Y182-I186 HydrophobicContact CD1-CD1 3.77Å; Y182-I186 HydrophobicContact CE1-CD1 4.39Å; Y182-I186 WeakPolarHBondContact O-CB 3.37Å; Y182-I186 PolarHBondContact O-N 2.9Å; Y182-M189 WeakPolarHBondContact CB-SD 3.19Å; Y182-M189 HydrophobicContact CG-SD 4.42Å |
| 183 | A | 82.1 | Confident | 82.8 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.4 | -27.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | L179 L180 Q185 M189 I190 Y225 F226 | L179-A183 PolarHBondContact O-N 3.18Å; L180-A183 PolarHBondContact O-N 2.94Å; L180-A183 VanDerWaalsContact O-N 3.17Å; A183-Q185 PolarHBondContact O-N 2.9Å; A183-M189 HydrophobicContact CB-SD 3.88Å; A183-M189 PolarHBondContact N-SD 2.91Å; A183-M189 VanDerWaalsContact N-SD 3.35Å; A183-I190 HydrophobicContact CB-CD1 4.43Å; A183-I190 HydrophobicContact CB-CG1 3.93Å; A183-Y225 VanDerWaalsContact O-CD1 3.28Å; A183-Y225 WeakPolarHBondContact O-CD1 3.35Å; A183-F226 HydrophobicContact CB-CD1 4.36Å; A183-F226 HydrophobicContact CB-CD2 4.13Å; A183-F226 HydrophobicContact CB-CE1 3.56Å; A183-F226 HydrophobicContact CB-CE2 3.36Å; A183-F226 HydrophobicContact CB-CZ 3.06Å |
| 184 | R | 78.1 | Confident | 82.9 | Confident | 57 Ų | 57 | 32.2 Ų | 32.2 | 22% | 0.215 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -26 | 173.3 | -76.1 | 177.8 | 66.5 | 172.4 | -4.6 | 113.2 | L180 Y182 E221 Y225 D267 | L180-R184 HydrophobicContact CD1-CG 3.86Å; L180-R184 HydrophobicContact CG-CG 4.42Å; L180-R184 WeakPolarHBondContact O-CG 3.47Å; L180-R184 PolarHBondContact O-N 3.34Å; Y182-R184 VanDerWaalsContact C-N 3.28Å; Y182-R184 PolarHBondContact O-N 3.41Å; R184-E221 IonicContact CZ-OE1 3.67Å; R184-E221 IonicContact CZ-OE2 3.2Å; R184-E221 IonicContact NE-OE2 3.82Å; R184-E221 IonicContact NH1-OE1 2.92Å; R184-E221 IonicContact NH1-OE2 2.68Å; R184-E221 PolarHBondContact NH1-OE2 3.25Å; R184-Y225 HydrophobicContact CB-CE2 4.27Å; R184-Y225 HydrophobicContact CG-CD2 3.87Å; R184-Y225 HydrophobicContact CG-CE2 3.82Å; R184-Y225 PolarHBondContact O-OH 3.3Å; R184-D267 IonicContact CZ-OD2 2.77Å; R184-D267 IonicContact NH1-OD2 2.71Å; R184-D267 PolarHBondContact NH1-OD2 3.26Å; R184-D267 IonicContact NH2-OD2 2.89Å; R184-D267 PolarHBondContact NH2-OD2 2.98Å |
| 185 | Q | 82.4 | Confident | 82.7 | Confident | 81 Ų | 81 | 37.3 Ų | 37.3 | 38% | 0.379 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | -25 | -175.7 | -68.4 | -179 | 60.6 | 0 | 0 | 113.5 | C141 Y182 A183 | C141-Q185 VanDerWaalsContact O-CD 3.31Å; C141-Q185 PolarHBondContact O-NE2 3.4Å; C141-Q185 PolarHBondContact O-OE1 2.87Å; C141-Q185 VanDerWaalsContact O-OE1 3.05Å; Y182-Q185 PolarHBondContact O-N 3.46Å; A183-Q185 PolarHBondContact O-N 2.9Å |
| 186 | I | 82.1 | Confident | 82.4 | Confident | 9 Ų | 9 | 39.2 Ų | 39.2 | 5% | 0.046 | 19% | 0.186 | C | C | . | . | trans | -125 | 102 | -169.3 | -50.8 | -174.1 | 0 | 0 | 0 | 109.1 | L143 W145 Y182 E188 M189 | L143-I186 HydrophobicContact CB-CD1 4.32Å; W145-I186 HydrophobicContact CB-CD1 3.91Å; W145-I186 HydrophobicContact CB-CG2 3.89Å; W145-I186 HydrophobicContact CD2-CG2 4.3Å; W145-I186 HydrophobicContact CE3-CD1 4.14Å; W145-I186 HydrophobicContact CE3-CG2 4.34Å; W145-I186 HydrophobicContact CG-CG2 4.14Å; Y182-I186 HydrophobicContact CD1-CD1 3.77Å; Y182-I186 HydrophobicContact CE1-CD1 4.39Å; Y182-I186 WeakPolarHBondContact O-CB 3.37Å; Y182-I186 PolarHBondContact O-N 2.9Å; I186-E188 VanDerWaalsContact C-N 3.27Å; I186-E188 HydrophobicContact CG2-CB 4.16Å; I186-E188 VanDerWaalsContact CG2-OE2 3.29Å; I186-E188 WeakPolarHBondContact CG2-OE2 3.48Å; I186-E188 PolarHBondContact O-N 2.66Å; I186-M189 HydrophobicContact CB-CB 4.4Å; I186-M189 HydrophobicContact CG2-CB 4.32Å; I186-M189 WeakPolarHBondContact O-CB 3.3Å; I186-M189 PolarHBondContact O-N 3.34Å | ||
| 187 | N | 76.5 | Confident | 82.5 | Confident | 108 Ų | 108 | 46.9 Ų | 46.9 | 58% | 0.578 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -65.3 | -33.3 | -178.6 | -68.9 | -30.5 | 0 | 0 | 0 | 112 | M189 I190 D191 | N187-M189 PolarHBondContact O-N 2.79Å; N187-I190 WeakPolarHBondContact O-CB 3.38Å; N187-I190 PolarHBondContact O-N 3.1Å; N187-D191 PolarHBondContact O-N 3.39Å |
| 188 | E | 80.7 | Confident | 82.6 | Confident | 117 Ų | 117 | 50.8 Ų | 50.8 | 55% | 0.547 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.5 | -29.4 | 179.4 | -63.3 | 85.3 | 167.1 | 0 | 0 | 112.5 | I186 I190 D191 W192 | I186-E188 VanDerWaalsContact C-N 3.27Å; I186-E188 HydrophobicContact CG2-CB 4.16Å; I186-E188 VanDerWaalsContact CG2-OE2 3.29Å; I186-E188 WeakPolarHBondContact CG2-OE2 3.48Å; I186-E188 PolarHBondContact O-N 2.66Å; E188-I190 VanDerWaalsContact C-N 3.32Å; E188-D191 PolarHBondContact O-N 2.96Å; E188-W192 WeakPolarHBondContact O-CB 3.32Å; E188-W192 PolarHBondContact O-N 2.92Å |
| 189 | M | 81.6 | Confident | 82.1 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.9 | -36.2 | 177.9 | -169.2 | -157.6 | -177.3 | 0 | 0 | 111.8 | W145 A153 L179 Y182 A183 I186 N187 W192 I193 F226 | W145-M189 HydrophobicContact CH2-CG 4.17Å; W145-M189 HydrophobicContact CZ3-CB 4.38Å; W145-M189 HydrophobicContact CZ3-CG 4.08Å; A153-M189 HydrophobicContact CB-CE 4.24Å; L179-M189 HydrophobicContact CB-CE 3.81Å; L179-M189 HydrophobicContact CD2-CE 3.15Å; L179-M189 HydrophobicContact CG-CE 4.03Å; Y182-M189 WeakPolarHBondContact CB-SD 3.19Å; Y182-M189 HydrophobicContact CG-SD 4.42Å; A183-M189 HydrophobicContact CB-SD 3.88Å; A183-M189 PolarHBondContact N-SD 2.91Å; A183-M189 VanDerWaalsContact N-SD 3.35Å; I186-M189 HydrophobicContact CB-CB 4.4Å; I186-M189 HydrophobicContact CG2-CB 4.32Å; I186-M189 WeakPolarHBondContact O-CB 3.3Å; I186-M189 PolarHBondContact O-N 3.34Å; N187-M189 PolarHBondContact O-N 2.79Å; M189-W192 WeakPolarHBondContact O-CB 3.34Å; M189-W192 PolarHBondContact O-N 3.48Å; M189-I193 HydrophobicContact CE-CD1 4.43Å; M189-I193 WeakPolarHBondContact O-CG1 3.38Å; M189-I193 PolarHBondContact O-N 2.86Å; M189-F226 HydrophobicContact CE-CZ 4.27Å; M189-F226 HydrophobicContact SD-CE1 4.45Å; M189-F226 HydrophobicContact SD-CZ 4.11Å |
| 190 | I | 76.2 | Confident | 81.8 | Confident | 13 Ų | 13 | 60 Ų | 60 | 7% | 0.067 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66 | -45.4 | 178.9 | -64 | 156.5 | 0 | 0 | 0 | 109.6 | A183 N187 E188 W192 I193 K194 Y225 F226 | A183-I190 HydrophobicContact CB-CD1 4.43Å; A183-I190 HydrophobicContact CB-CG1 3.93Å; N187-I190 WeakPolarHBondContact O-CB 3.38Å; N187-I190 PolarHBondContact O-N 3.1Å; E188-I190 VanDerWaalsContact C-N 3.32Å; I190-W192 VanDerWaalsContact C-N 3.26Å; I190-W192 PolarHBondContact O-N 3.47Å; I190-I193 PolarHBondContact O-N 3.36Å; I190-K194 HydrophobicContact CG2-CD 4.42Å; I190-K194 WeakPolarHBondContact O-CG 3.47Å; I190-K194 PolarHBondContact O-N 2.94Å; I190-K194 VanDerWaalsContact O-N 3.11Å; I190-Y225 HydrophobicContact CD1-CD1 3.71Å; I190-Y225 HydrophobicContact CD1-CG 4.27Å; I190-Y225 VanDerWaalsContact CD1-O 3.31Å; I190-Y225 WeakPolarHBondContact CD1-O 3.3Å; I190-Y225 WeakPolarHBondContact CG1-O 3.49Å; I190-Y225 WeakPolarHBondContact CG2-O 3.32Å; I190-F226 HydrophobicContact CB-CD1 4.47Å; I190-F226 HydrophobicContact CG1-CD1 4.07Å; I190-F226 HydrophobicContact CG1-CE1 4.13Å |
| 191 | D | 79.2 | Confident | 81.8 | Confident | 88 Ų | 88 | 63.7 Ų | 63.7 | 47% | 0.471 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.8 | -39.1 | 174.8 | -68.6 | -25.2 | 0 | 0 | 0 | 110.8 | N187 E188 K194 M195 | N187-D191 PolarHBondContact O-N 3.39Å; E188-D191 PolarHBondContact O-N 2.96Å; D191-K194 PolarHBondContact O-N 3.25Å; D191-M195 WeakPolarHBondContact O-CG 3.42Å; D191-M195 PolarHBondContact O-N 2.98Å |
| 192 | W | 83.4 | Confident | 81.7 | Confident | 58 Ų | 58 | 63.6 Ų | 63.6 | 22% | 0.22 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.4 | -43.7 | 175.1 | 178.4 | 85.7 | 0 | 0 | 0 | 112.8 | A153 N154 Y157 E188 M189 I190 K194 M195 Q196 | A153-W192 HydrophobicContact CB-CE3 4.49Å; A153-W192 HydrophobicContact CB-CH2 4.17Å; A153-W192 HydrophobicContact CB-CZ3 3.97Å; N154-W192 HydrophobicContact CB-CH2 4.22Å; N154-W192 HydrophobicContact CB-CZ2 4.08Å; Y157-W192 HydrophobicContact CG-CH2 4.4Å; E188-W192 WeakPolarHBondContact O-CB 3.32Å; E188-W192 PolarHBondContact O-N 2.92Å; M189-W192 WeakPolarHBondContact O-CB 3.34Å; M189-W192 PolarHBondContact O-N 3.48Å; I190-W192 VanDerWaalsContact C-N 3.26Å; I190-W192 PolarHBondContact O-N 3.47Å; W192-K194 VanDerWaalsContact C-N 3.34Å; W192-K194 PolarHBondContact O-N 2.93Å; W192-M195 PolarHBondContact O-N 3.18Å; W192-Q196 HydrophobicContact CH2-CG 4.28Å; W192-Q196 HydrophobicContact CZ2-CG 4.45Å; W192-Q196 HydrophobicContact CZ3-CG 4.36Å; W192-Q196 WeakPolarHBondContact O-CG 3.42Å; W192-Q196 PolarHBondContact O-NE2 3.38Å |
| 193 | I | 80.2 | Confident | 81.1 | Confident | 4 Ų | 4 | 63.9 Ų | 63.9 | 2% | 0.021 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.8 | -42.5 | 176.3 | -67.7 | -154.6 | 0 | 0 | 0 | 110.9 | Y157 L179 M189 I190 M195 Q196 L199 F202 F226 | Y157-I193 HydrophobicContact CE2-CG2 4.16Å; L179-I193 HydrophobicContact CD1-CD1 4.44Å; M189-I193 HydrophobicContact CE-CD1 4.43Å; M189-I193 WeakPolarHBondContact O-CG1 3.38Å; M189-I193 PolarHBondContact O-N 2.86Å; I190-I193 PolarHBondContact O-N 3.36Å; I193-M195 PolarHBondContact O-N 2.9Å; I193-Q196 WeakPolarHBondContact O-CB 3.3Å; I193-Q196 WeakPolarHBondContact O-CG 3.45Å; I193-Q196 PolarHBondContact O-N 3.38Å; I193-Q196 VanDerWaalsContact O-N 3.11Å; I193-L199 HydrophobicContact CG2-CD1 4.07Å; I193-F202 HydrophobicContact CD1-CZ 4.2Å; I193-F202 HydrophobicContact CG2-CD1 4.42Å; I193-F202 HydrophobicContact CG2-CE1 4.17Å; I193-F226 HydrophobicContact CB-CD1 4.2Å; I193-F226 HydrophobicContact CB-CE1 4.19Å; I193-F226 HydrophobicContact CD1-CD1 3.74Å; I193-F226 HydrophobicContact CD1-CE1 3.13Å; I193-F226 HydrophobicContact CD1-CZ 3.6Å; I193-F226 HydrophobicContact CG1-CD1 4.22Å; I193-F226 HydrophobicContact CG1-CE1 3.71Å; I193-F226 HydrophobicContact CG2-CD1 4.38Å |
| 194 | K | 80.2 | Confident | 81 | Confident | 86 Ų | 86 | 70.9 Ų | 70.9 | 37% | 0.374 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.8 | -23.4 | 178.9 | -70.6 | 173.1 | -177.4 | 174.1 | 0 | 113.5 | I190 D191 W192 | I190-K194 HydrophobicContact CG2-CD 4.42Å; I190-K194 WeakPolarHBondContact O-CG 3.47Å; I190-K194 PolarHBondContact O-N 2.94Å; I190-K194 VanDerWaalsContact O-N 3.11Å; D191-K194 PolarHBondContact O-N 3.25Å; W192-K194 VanDerWaalsContact C-N 3.34Å; W192-K194 PolarHBondContact O-N 2.93Å |
| 195 | M | 83.8 | Confident | 81 | Confident | 151 Ų | 151 | 68.1 Ų | 68.1 | 74% | 0.744 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -0.7 | 178.5 | -67.5 | -178.5 | -171 | 0 | 0 | 113.8 | D191 W192 I193 | D191-M195 WeakPolarHBondContact O-CG 3.42Å; D191-M195 PolarHBondContact O-N 2.98Å; W192-M195 PolarHBondContact O-N 3.18Å; I193-M195 PolarHBondContact O-N 2.9Å |
| 196 | Q | 85.3 | Confident | 80.7 | Confident | 42 Ų | 42 | 64.7 Ų | 64.7 | 20% | 0.196 | 31% | 0.31 | C | S | . | . | trans | -78 | 141.2 | -178.9 | -59.7 | -51.4 | -58 | 0 | 0 | 112.4 | Y157 W192 I193 N198 L199 | Y157-Q196 HydrophobicContact CD1-CG 4.37Å; Y157-Q196 HydrophobicContact CD2-CG 4.39Å; Y157-Q196 HydrophobicContact CE1-CB 3.74Å; Y157-Q196 HydrophobicContact CE1-CG 4Å; Y157-Q196 HydrophobicContact CE2-CB 4.09Å; Y157-Q196 HydrophobicContact CE2-CG 4.01Å; Y157-Q196 VanDerWaalsContact CZ-CB 3.47Å; Y157-Q196 WeakPolarHBondContact OH-CB 3.49Å; W192-Q196 HydrophobicContact CH2-CG 4.28Å; W192-Q196 HydrophobicContact CZ2-CG 4.45Å; W192-Q196 HydrophobicContact CZ3-CG 4.36Å; W192-Q196 WeakPolarHBondContact O-CG 3.42Å; W192-Q196 PolarHBondContact O-NE2 3.38Å; I193-Q196 WeakPolarHBondContact O-CB 3.3Å; I193-Q196 WeakPolarHBondContact O-CG 3.45Å; I193-Q196 PolarHBondContact O-N 3.38Å; I193-Q196 VanDerWaalsContact O-N 3.11Å; Q196-N198 VanDerWaalsContact C-N 3.34Å; Q196-N198 PolarHBondContact O-N 3.3Å; Q196-L199 PolarHBondContact O-N 2.68Å | ||
| 197 | D | 84.7 | Confident | 80.1 | Confident | 162 Ų | 162 | 66.2 Ų | 66.2 | 87% | 0.866 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -34.8 | -177.1 | -66.6 | -40.8 | 0 | 0 | 0 | 113.1 | L199 | D197-L199 VanDerWaalsContact C-N 3.31Å; D197-L199 PolarHBondContact O-N 3.21Å |
| 198 | N | 83.9 | Confident | 79.8 | Confident | 81 Ų | 81 | 63.3 Ų | 63.3 | 43% | 0.433 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 30.1 | -176.4 | -60.6 | -29.9 | 0 | 0 | 0 | 113 | Y157 Q196 Q200 E201 F202 | Y157-N198 HydrophobicContact CE1-CB 4.27Å; Y157-N198 PolarHBondContact OH-O 3.2Å; Q196-N198 VanDerWaalsContact C-N 3.34Å; Q196-N198 PolarHBondContact O-N 3.3Å; N198-Q200 PolarHBondContact O-N 2.9Å; N198-E201 VanDerWaalsContact C-OE2 3.26Å; N198-E201 VanDerWaalsContact CA-OE2 3.23Å; N198-E201 WeakPolarHBondContact CA-OE2 3.47Å; N198-E201 HydrophobicContact CB-CB 4.48Å; N198-E201 PolarHBondContact O-N 3.43Å; N198-F202 PolarHBondContact O-N 3.28Å; N198-F202 VanDerWaalsContact O-N 3.11Å |
| 199 | L | 80.6 | Confident | 79.2 | Confident | 35 Ų | 35 | 58 Ų | 58 | 18% | 0.183 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.5 | -32.5 | -175.6 | -177.2 | 63.3 | 0 | 0 | 0 | 111.5 | Y157 I193 Q196 D197 F202 N203 | Y157-L199 VanDerWaalsContact OH-CA 3.26Å; Y157-L199 WeakPolarHBondContact OH-CA 3.47Å; Y157-L199 PolarHBondContact OH-N 2.96Å; Y157-L199 VanDerWaalsContact OH-N 3.14Å; I193-L199 HydrophobicContact CG2-CD1 4.07Å; Q196-L199 PolarHBondContact O-N 2.68Å; D197-L199 VanDerWaalsContact C-N 3.31Å; D197-L199 PolarHBondContact O-N 3.21Å; L199-F202 HydrophobicContact CD1-CD1 4.44Å; L199-F202 PolarHBondContact O-N 2.89Å; L199-N203 VanDerWaalsContact CD1-OD1 3.31Å; L199-N203 WeakPolarHBondContact CD1-OD1 3.49Å; L199-N203 VanDerWaalsContact O-CB 3.31Å; L199-N203 WeakPolarHBondContact O-CB 3.49Å; L199-N203 PolarHBondContact O-N 2.81Å; L199-N203 PolarHBondContact O-ND2 3.26Å; L199-N203 PolarHBondContact O-OD1 3.18Å |
| 200 | Q | 80.3 | Confident | 78.3 | Confident | 160 Ų | 160 | 59.1 Ų | 59.1 | 75% | 0.748 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -66 | -42 | 178.9 | -66.2 | -169.1 | -5.7 | 0 | 0 | 112.5 | N198 R204 | N198-Q200 PolarHBondContact O-N 2.9Å; Q200-R204 VanDerWaalsContact O-CB 3.25Å; Q200-R204 WeakPolarHBondContact O-CB 3.4Å; Q200-R204 PolarHBondContact O-N 3.38Å |
| 201 | E | 82.5 | Confident | 77.7 | Confident | 78 Ų | 78 | 66.6 Ų | 66.6 | 36% | 0.364 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.6 | -46.9 | 176.5 | -67.9 | 74.6 | -168.1 | 0 | 0 | 110.6 | C161 N198 N203 R204 T205 | C161-E201 HydrophobicContact CB-CB 4.38Å; N198-E201 VanDerWaalsContact C-OE2 3.26Å; N198-E201 VanDerWaalsContact CA-OE2 3.23Å; N198-E201 WeakPolarHBondContact CA-OE2 3.47Å; N198-E201 HydrophobicContact CB-CB 4.48Å; N198-E201 PolarHBondContact O-N 3.43Å; E201-N203 PolarHBondContact O-N 3.49Å; E201-R204 PolarHBondContact O-N 3.36Å; E201-T205 PolarHBondContact O-N 2.93Å; E201-T205 PolarHBondContact O-OG1 2.96Å; E201-T205 VanDerWaalsContact O-OG1 3.09Å |
| 202 | F | 84 | Confident | 76.6 | Confident | 1 Ų | 1 | 66.7 Ų | 66.7 | 0% | 0.004 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -55.3 | -51.9 | 174.2 | 178.3 | -93.8 | 0 | 0 | 0 | 111.4 | Y157 I160 L176 L179 I193 N198 L199 R204 T205 V206 | Y157-F202 AromaticContact CD2-CD2 3.6Å; Y157-F202 HydrophobicContact CD2-CD2 3.6Å; Y157-F202 AromaticContact CD2-CE2 3.95Å; Y157-F202 HydrophobicContact CD2-CE2 3.95Å; Y157-F202 HydrophobicContact CD2-CG 4.19Å; Y157-F202 HydrophobicContact CE2-CB 3.72Å; Y157-F202 HydrophobicContact CE2-CD1 4.3Å; Y157-F202 AromaticContact CE2-CD2 3.47Å; Y157-F202 HydrophobicContact CE2-CD2 3.47Å; Y157-F202 VanDerWaalsContact CE2-CD2 3.47Å; Y157-F202 HydrophobicContact CE2-CE2 4.14Å; Y157-F202 AromaticContact CE2-CG 3.57Å; Y157-F202 HydrophobicContact CE2-CG 3.57Å; I160-F202 HydrophobicContact CB-CD2 4.15Å; I160-F202 HydrophobicContact CB-CE2 4.33Å; I160-F202 HydrophobicContact CD1-CD2 4.5Å; I160-F202 HydrophobicContact CD1-CE2 3.86Å; I160-F202 HydrophobicContact CG2-CD2 3.55Å; I160-F202 HydrophobicContact CG2-CE2 3.81Å; I160-F202 HydrophobicContact CG2-CG 4.49Å; L176-F202 HydrophobicContact CD2-CE2 4.38Å; L176-F202 HydrophobicContact CD2-CZ 4.4Å; L179-F202 HydrophobicContact CD1-CE2 4.16Å; I193-F202 HydrophobicContact CD1-CZ 4.2Å; I193-F202 HydrophobicContact CG2-CD1 4.42Å; I193-F202 HydrophobicContact CG2-CE1 4.17Å; N198-F202 PolarHBondContact O-N 3.28Å; N198-F202 VanDerWaalsContact O-N 3.11Å; L199-F202 HydrophobicContact CD1-CD1 4.44Å; L199-F202 PolarHBondContact O-N 2.89Å; F202-R204 VanDerWaalsContact C-N 3.3Å; F202-R204 PolarHBondContact O-N 3.07Å; F202-T205 PolarHBondContact O-N 3.35Å; F202-V206 HydrophobicContact CD1-CG2 4.29Å; F202-V206 HydrophobicContact CE1-CG2 3.94Å; F202-V206 HydrophobicContact CZ-CG2 4.06Å; F202-V206 WeakPolarHBondContact O-CG2 3.49Å; F202-V206 PolarHBondContact O-N 3.32Å |
| 203 | N | 76.1 | Confident | 75 | Confident | 10 Ų | 10 | 67.4 Ų | 67.4 | 5% | 0.053 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61 | -40.8 | 179.8 | -62.2 | -3.1 | 0 | 0 | 0 | 111.5 | L199 E201 V206 L207 Y227 F230 | L199-N203 VanDerWaalsContact CD1-OD1 3.31Å; L199-N203 WeakPolarHBondContact CD1-OD1 3.49Å; L199-N203 VanDerWaalsContact O-CB 3.31Å; L199-N203 WeakPolarHBondContact O-CB 3.49Å; L199-N203 PolarHBondContact O-N 2.81Å; L199-N203 PolarHBondContact O-ND2 3.26Å; L199-N203 PolarHBondContact O-OD1 3.18Å; E201-N203 PolarHBondContact O-N 3.49Å; N203-V206 PolarHBondContact O-N 3.41Å; N203-L207 WeakPolarHBondContact O-CB 3.42Å; N203-L207 WeakPolarHBondContact O-CD1 3.39Å; N203-L207 VanDerWaalsContact O-CG 3.22Å; N203-L207 WeakPolarHBondContact O-CG 3.26Å; N203-L207 PolarHBondContact O-N 3.2Å; N203-Y227 WeakPolarHBondContact CA-OH 3.24Å; N203-Y227 HydrophobicContact CB-CE1 4.37Å; N203-Y227 WeakPolarHBondContact OD1-CE1 3.23Å; N203-Y227 PolarHBondContact OD1-OH 3.04Å; N203-F230 HydrophobicContact CB-CE2 4.07Å; N203-F230 HydrophobicContact CB-CZ 4.31Å; N203-F230 WeakPolarHBondContact ND2-CE2 3.32Å |
| 204 | R | 79.2 | Confident | 73.3 | Confident | 147 Ų | 147 | 70.6 Ų | 70.6 | 56% | 0.555 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -64.2 | -43.4 | 177.1 | -178.6 | 172.3 | 168.2 | -176.3 | -6.5 | 111.6 | C164 Q200 E201 F202 L207 L208 | C164-R204 VanDerWaalsContact SG-CD 3.55Å; Q200-R204 VanDerWaalsContact O-CB 3.25Å; Q200-R204 WeakPolarHBondContact O-CB 3.4Å; Q200-R204 PolarHBondContact O-N 3.38Å; E201-R204 PolarHBondContact O-N 3.36Å; F202-R204 VanDerWaalsContact C-N 3.3Å; F202-R204 PolarHBondContact O-N 3.07Å; R204-L207 PolarHBondContact O-N 3.07Å; R204-L208 HydrophobicContact CG-CD1 4.06Å; R204-L208 HydrophobicContact CG-CG 4.44Å; R204-L208 WeakPolarHBondContact O-CB 3.42Å; R204-L208 VanDerWaalsContact O-CG 3.24Å; R204-L208 WeakPolarHBondContact O-CG 3.26Å; R204-L208 PolarHBondContact O-N 3.31Å |
| 205 | T | 79.3 | Confident | 71.4 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.6 | -47.9 | 175.1 | -56.3 | 0 | 0 | 0 | 0 | 110.9 | I160 C163 C164 L172 E201 F202 L207 L208 V209 | I160-T205 HydrophobicContact CG2-CG2 3.99Å; I160-T205 WeakPolarHBondContact O-CG2 3.44Å; I160-T205 PolarHBondContact O-OG1 2.9Å; I160-T205 VanDerWaalsContact O-OG1 3.07Å; C163-T205 HydrophobicContact CB-CG2 4.22Å; C164-T205 VanDerWaalsContact CA-OG1 3.22Å; C164-T205 WeakPolarHBondContact CA-OG1 3.36Å; C164-T205 WeakPolarHBondContact CB-OG1 3.45Å; C164-T205 PolarHBondContact N-OG1 3.33Å; L172-T205 HydrophobicContact CD1-CG2 3.86Å; L172-T205 HydrophobicContact CD2-CG2 3.87Å; E201-T205 PolarHBondContact O-N 2.93Å; E201-T205 PolarHBondContact O-OG1 2.96Å; E201-T205 VanDerWaalsContact O-OG1 3.09Å; F202-T205 PolarHBondContact O-N 3.35Å; T205-L207 PolarHBondContact O-N 3.32Å; T205-L208 PolarHBondContact O-N 3.49Å; T205-V209 WeakPolarHBondContact O-CG2 3.48Å; T205-V209 PolarHBondContact O-N 2.97Å |
| 206 | V | 74.5 | Confident | 69.3 | Low | 8 Ų | 8 | 72 Ų | 72 | 5% | 0.048 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.7 | -46.9 | 177.5 | 173.6 | 0 | 0 | 0 | 0 | 110.9 | L176 F202 N203 L208 V209 L210 | L176-V206 HydrophobicContact CD2-CG2 3.8Å; F202-V206 HydrophobicContact CD1-CG2 4.29Å; F202-V206 HydrophobicContact CE1-CG2 3.94Å; F202-V206 HydrophobicContact CZ-CG2 4.06Å; F202-V206 WeakPolarHBondContact O-CG2 3.49Å; F202-V206 PolarHBondContact O-N 3.32Å; N203-V206 PolarHBondContact O-N 3.41Å; V206-L208 VanDerWaalsContact C-N 3.35Å; V206-L208 PolarHBondContact O-N 3.09Å; V206-V209 WeakPolarHBondContact O-CB 3.43Å; V206-V209 PolarHBondContact O-N 3.34Å; V206-L210 HydrophobicContact CG1-CD1 4.08Å; V206-L210 HydrophobicContact CG1-CG 4.45Å; V206-L210 VanDerWaalsContact O-CG 3.27Å; V206-L210 WeakPolarHBondContact O-CG 3.28Å; V206-L210 PolarHBondContact O-N 2.9Å |
| 207 | L | 70.7 | Confident | 67.1 | Low | 42 Ų | 42 | 71.1 Ų | 71.1 | 22% | 0.22 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.7 | -38.5 | 176.8 | -75.8 | 167.8 | 0 | 0 | 0 | 113.3 | N203 R204 T205 L210 K211 F230 V232 | N203-L207 WeakPolarHBondContact O-CB 3.42Å; N203-L207 WeakPolarHBondContact O-CD1 3.39Å; N203-L207 VanDerWaalsContact O-CG 3.22Å; N203-L207 WeakPolarHBondContact O-CG 3.26Å; N203-L207 PolarHBondContact O-N 3.2Å; R204-L207 PolarHBondContact O-N 3.07Å; T205-L207 PolarHBondContact O-N 3.32Å; L207-L210 PolarHBondContact O-N 3.29Å; L207-K211 WeakPolarHBondContact O-CB 3.36Å; L207-K211 VanDerWaalsContact O-CG 3.29Å; L207-K211 WeakPolarHBondContact O-CG 3.32Å; L207-K211 PolarHBondContact O-N 3.02Å; L207-F230 HydrophobicContact CD1-CD1 3.97Å; L207-F230 HydrophobicContact CD1-CE1 3.59Å; L207-F230 HydrophobicContact CD1-CZ 4.35Å; L207-F230 HydrophobicContact CD2-CD1 4.44Å; L207-V232 HydrophobicContact CD2-CG2 3.44Å; L207-V232 VanDerWaalsContact CD2-CG2 3.44Å |
| 208 | L | 70.7 | Confident | 65 | Low | 46 Ų | 46 | 63.7 Ų | 63.7 | 24% | 0.241 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.1 | -43.7 | 177.2 | -77.4 | 169.6 | 0 | 0 | 0 | 111 | C164 P167 R204 T205 V206 K211 Q212 | C164-L208 WeakPolarHBondContact O-CD1 3.48Å; P167-L208 HydrophobicContact CB-CB 4.28Å; R204-L208 HydrophobicContact CG-CD1 4.06Å; R204-L208 HydrophobicContact CG-CG 4.44Å; R204-L208 WeakPolarHBondContact O-CB 3.42Å; R204-L208 VanDerWaalsContact O-CG 3.24Å; R204-L208 WeakPolarHBondContact O-CG 3.26Å; R204-L208 PolarHBondContact O-N 3.31Å; T205-L208 PolarHBondContact O-N 3.49Å; V206-L208 VanDerWaalsContact C-N 3.35Å; V206-L208 PolarHBondContact O-N 3.09Å; L208-K211 PolarHBondContact O-N 2.77Å; L208-Q212 WeakPolarHBondContact O-CB 3.34Å; L208-Q212 WeakPolarHBondContact O-CG 3.49Å; L208-Q212 PolarHBondContact O-N 3.39Å |
| 209 | V | 67.9 | Low | 62.9 | Low | 5 Ų | 5 | 60.3 Ų | 60.3 | 3% | 0.03 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.1 | -49.7 | 174 | 163 | 0 | 0 | 0 | 0 | 111.1 | L172 L176 T205 V206 K211 Q212 D213 M217 | L172-V209 HydrophobicContact CD2-CG2 3.42Å; L172-V209 VanDerWaalsContact CD2-CG2 3.42Å; L172-V209 HydrophobicContact CG-CG2 4.16Å; L176-V209 HydrophobicContact CD1-CG2 4.4Å; T205-V209 WeakPolarHBondContact O-CG2 3.48Å; T205-V209 PolarHBondContact O-N 2.97Å; V206-V209 WeakPolarHBondContact O-CB 3.43Å; V206-V209 PolarHBondContact O-N 3.34Å; V209-K211 VanDerWaalsContact C-N 3.26Å; V209-K211 PolarHBondContact O-N 3.02Å; V209-Q212 PolarHBondContact O-N 2.96Å; V209-D213 PolarHBondContact O-N 3.33Å; V209-D213 VanDerWaalsContact O-N 3.11Å; V209-M217 HydrophobicContact CB-SD 4.36Å; V209-M217 HydrophobicContact CG1-CB 3.81Å; V209-M217 HydrophobicContact CG1-CE 3.53Å; V209-M217 HydrophobicContact CG1-CG 4.17Å; V209-M217 HydrophobicContact CG1-SD 3.29Å; V209-M217 WeakPolarHBondContact CG1-SD 3.22Å; V209-M217 HydrophobicContact CG2-CE 4.5Å; V209-M217 HydrophobicContact CG2-SD 4.16Å |
| 210 | L | 62.6 | Low | 61.1 | Low | 24 Ų | 24 | 59 Ų | 59 | 13% | 0.126 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.4 | -32.5 | 179 | -68.6 | 178.5 | 0 | 0 | 0 | 112.8 | V206 L207 V220 V232 | V206-L210 HydrophobicContact CG1-CD1 4.08Å; V206-L210 HydrophobicContact CG1-CG 4.45Å; V206-L210 VanDerWaalsContact O-CG 3.27Å; V206-L210 WeakPolarHBondContact O-CG 3.28Å; V206-L210 PolarHBondContact O-N 2.9Å; L207-L210 PolarHBondContact O-N 3.29Å; L210-V220 HydrophobicContact CD2-CB 4.45Å; L210-V220 HydrophobicContact CD2-CG2 3.28Å; L210-V232 HydrophobicContact CD1-CG1 3.8Å |
| 211 | K | 62.3 | Low | 59.3 | Low | 170 Ų | 170 | 52 Ų | 52 | 74% | 0.739 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -79 | -35.1 | 177.7 | -78.2 | 178.3 | 178.7 | -179.4 | 0 | 113.9 | L207 L208 V209 | L207-K211 WeakPolarHBondContact O-CB 3.36Å; L207-K211 VanDerWaalsContact O-CG 3.29Å; L207-K211 WeakPolarHBondContact O-CG 3.32Å; L207-K211 PolarHBondContact O-N 3.02Å; L208-K211 PolarHBondContact O-N 2.77Å; V209-K211 VanDerWaalsContact C-N 3.26Å; V209-K211 PolarHBondContact O-N 3.02Å |
| 212 | Q | 57.6 | Low | 57.3 | Low | 91 Ų | 91 | 48.4 Ų | 48.4 | 43% | 0.425 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -84 | -45.3 | -173.3 | -76.1 | -171.6 | -2.6 | 0 | 0 | 112.6 | L208 V209 | L208-Q212 WeakPolarHBondContact O-CB 3.34Å; L208-Q212 WeakPolarHBondContact O-CG 3.49Å; L208-Q212 PolarHBondContact O-N 3.39Å; V209-Q212 PolarHBondContact O-N 2.96Å |
| 213 | D | 49.2 | Very low | 55.3 | Low | 72 Ų | 72 | 48.6 Ų | 48.6 | 39% | 0.385 | 22% | 0.219 | S | C | . | . | trans | -132.8 | 63.4 | -167.6 | -79.1 | -44.2 | 0 | 0 | 0 | 113.1 | V209 R215 E216 M217 | V209-D213 PolarHBondContact O-N 3.33Å; V209-D213 VanDerWaalsContact O-N 3.11Å; D213-R215 PolarHBondContact O-N 3.13Å; D213-E216 PolarHBondContact O-N 3.33Å; D213-M217 PolarHBondContact O-N 3Å | ||
| 214 | M | 43.4 | Very low | 53.7 | Low | 71 Ų | 71 | 50.8 Ų | 50.8 | 35% | 0.35 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | 21.5 | 148.7 | -72.1 | -92.3 | -98.6 | 0 | 0 | 112.8 | C248 | M214-C248 VanDerWaalsContact C-SG 3.6Å; M214-C248 HydrophobicContact CB-CB 4.22Å; M214-C248 VanDerWaalsContact CB-SG 3.53Å; M214-C248 HydrophobicContact CE-CB 4.09Å; M214-C248 PolarHBondContact O-SG 2.91Å; M214-C248 HydrophobicContact SD-CB 4.1Å |
| 215 | R | 41.8 | Very low | 52 | Low | 180 Ų | 180 | 47.9 Ų | 47.9 | 68% | 0.679 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -117.5 | -25.3 | 176.3 | -86.9 | -171.9 | -179.8 | -172.2 | 2.1 | 114.7 | D213 V252 | D213-R215 PolarHBondContact O-N 3.13Å; R215-V252 WeakPolarHBondContact O-CG2 3.33Å |
| 216 | E | 38.6 | Very low | 50.2 | Low | 87 Ų | 87 | 48.3 Ų | 48.3 | 41% | 0.407 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -138.7 | -20.3 | -178.5 | -68 | -175.8 | 173.1 | 0 | 0 | 114.6 | D213 E257 A261 | D213-E216 PolarHBondContact O-N 3.33Å; E216-E257 WeakPolarHBondContact OE1-CG 3.25Å; E216-A261 WeakPolarHBondContact O-CB 3.29Å |
| 217 | M | 38.4 | Very low | 48.6 | Very low | 23 Ų | 23 | 49.4 Ų | 49.4 | 11% | 0.113 | 23% | 0.226 | C | C | . | . | trans | -106.8 | 79.2 | 179.8 | -73.6 | -168.8 | 74 | 0 | 0 | 111.7 | P173 L176 V209 D213 N219 | P173-M217 HydrophobicContact CB-CE 3.85Å; P173-M217 HydrophobicContact CB-CG 4.09Å; P173-M217 HydrophobicContact CB-SD 3.94Å; P173-M217 HydrophobicContact CG-CE 4.17Å; P173-M217 HydrophobicContact CG-CG 4.15Å; P173-M217 HydrophobicContact CG-SD 3.68Å; L176-M217 HydrophobicContact CB-CE 4.32Å; L176-M217 HydrophobicContact CD1-CE 3.54Å; V209-M217 HydrophobicContact CB-SD 4.36Å; V209-M217 HydrophobicContact CG1-CB 3.81Å; V209-M217 HydrophobicContact CG1-CE 3.53Å; V209-M217 HydrophobicContact CG1-CG 4.17Å; V209-M217 HydrophobicContact CG1-SD 3.29Å; V209-M217 WeakPolarHBondContact CG1-SD 3.22Å; V209-M217 HydrophobicContact CG2-CE 4.5Å; V209-M217 HydrophobicContact CG2-SD 4.16Å; D213-M217 PolarHBondContact O-N 3Å; M217-N219 HydrophobicContact CE-CB 4.16Å; M217-N219 WeakPolarHBondContact CE-ND2 3.31Å; M217-N219 PolarHBondContact O-N 3.3Å | ||
| 218 | V | 41.7 | Very low | 47.3 | Very low | 6 Ų | 6 | 52 Ų | 52 | 4% | 0.036 | 25% | 0.248 | C | C | . | . | trans | -72.6 | 75.4 | 154.5 | 179.1 | 0 | 0 | 0 | 0 | 108.3 | V252 Y264 A265 L268 | V218-V252 HydrophobicContact CG2-CB 4.03Å; V218-V252 HydrophobicContact CG2-CG1 3.99Å; V218-V252 HydrophobicContact CG2-CG2 3.94Å; V218-Y264 VanDerWaalsContact O-CB 3.27Å; V218-Y264 WeakPolarHBondContact O-CB 2.89Å; V218-A265 HydrophobicContact CB-CB 3.98Å; V218-A265 HydrophobicContact CG1-CB 4.24Å; V218-A265 HydrophobicContact CG2-CB 3.66Å; V218-L268 HydrophobicContact CG1-CB 3.74Å; V218-L268 HydrophobicContact CG1-CD2 3.43Å; V218-L268 VanDerWaalsContact CG1-CD2 3.43Å; V218-L268 HydrophobicContact CG1-CG 4.23Å | ||
| 219 | N | 40.3 | Very low | 45.9 | Very low | 10 Ų | 10 | 57.3 Ų | 57.3 | 5% | 0.053 | 27% | 0.271 | C | S | . | . | trans | -104.3 | 21.5 | 165.3 | -94.7 | -16.4 | 0 | 0 | 0 | 110.5 | L176 M217 E221 I222 | L176-N219 WeakPolarHBondContact CB-ND2 3.4Å; M217-N219 HydrophobicContact CE-CB 4.16Å; M217-N219 WeakPolarHBondContact CE-ND2 3.31Å; M217-N219 PolarHBondContact O-N 3.3Å; N219-E221 VanDerWaalsContact C-N 3.3Å; N219-E221 PolarHBondContact O-N 3.49Å; N219-I222 HydrophobicContact CB-CD1 3.71Å; N219-I222 HydrophobicContact CB-CG1 4.26Å; N219-I222 WeakPolarHBondContact O-CB 3.28Å; N219-I222 VanDerWaalsContact O-CG1 3.29Å; N219-I222 WeakPolarHBondContact O-CG1 3.44Å; N219-I222 PolarHBondContact O-N 2.91Å | ||
| 220 | V | 42.4 | Very low | 44.7 | Very low | 9 Ų | 9 | 60.8 Ų | 60.8 | 6% | 0.055 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -19.9 | 174.5 | 168.2 | 0 | 0 | 0 | 0 | 112.3 | L210 I222 E223 L236 L268 | L210-V220 HydrophobicContact CD2-CB 4.45Å; L210-V220 HydrophobicContact CD2-CG2 3.28Å; V220-I222 PolarHBondContact O-N 3.41Å; V220-E223 WeakPolarHBondContact O-CA 3.4Å; V220-E223 WeakPolarHBondContact O-CB 3.33Å; V220-E223 PolarHBondContact O-N 3.35Å; V220-L236 HydrophobicContact CB-CD1 4.02Å; V220-L236 HydrophobicContact CG1-CD1 3.17Å; V220-L236 HydrophobicContact CG2-CD1 3.57Å; V220-L268 HydrophobicContact CB-CD1 4.06Å; V220-L268 HydrophobicContact CB-CD2 3.65Å; V220-L268 HydrophobicContact CG1-CD1 3.59Å; V220-L268 HydrophobicContact CG1-CD2 3.86Å; V220-L268 HydrophobicContact CG1-CG 4.39Å; V220-L268 HydrophobicContact CG2-CD2 4.37Å |
| 221 | E | 41.6 | Very low | 44.1 | Very low | 13 Ų | 13 | 63.7 Ų | 63.7 | 6% | 0.061 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.4 | -20.3 | 169 | -77.7 | -160.1 | 131.2 | 0 | 0 | 112.7 | L180 R184 N219 E223 N224 D267 L268 | L180-E221 HydrophobicContact CD1-CB 3.75Å; L180-E221 WeakPolarHBondContact CD1-O 3.33Å; L180-E221 HydrophobicContact CD2-CB 3.73Å; L180-E221 HydrophobicContact CG-CB 4.34Å; R184-E221 IonicContact CZ-OE1 3.67Å; R184-E221 IonicContact CZ-OE2 3.2Å; R184-E221 IonicContact NE-OE2 3.82Å; R184-E221 IonicContact NH1-OE1 2.92Å; R184-E221 IonicContact NH1-OE2 2.68Å; R184-E221 PolarHBondContact NH1-OE2 3.25Å; N219-E221 VanDerWaalsContact C-N 3.3Å; N219-E221 PolarHBondContact O-N 3.49Å; E221-E223 PolarHBondContact O-N 3.18Å; E221-E223 VanDerWaalsContact O-N 3.12Å; E221-N224 PolarHBondContact O-N 3.46Å; E221-D267 VanDerWaalsContact CD-CB 3.44Å; E221-D267 WeakPolarHBondContact OE1-CB 3.29Å; E221-D267 WeakPolarHBondContact OE2-CB 3.06Å; E221-L268 HydrophobicContact CG-CB 3.99Å; E221-L268 HydrophobicContact CG-CD1 4.15Å |
| 222 | I | 41.7 | Very low | 43.6 | Very low | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -53.7 | -33.2 | 167.3 | -65 | -179 | 0 | 0 | 0 | 107.9 | L176 L180 N219 V220 F226 | L176-I222 HydrophobicContact CB-CD1 3.59Å; L176-I222 HydrophobicContact CD2-CD1 3.61Å; L176-I222 HydrophobicContact CG-CD1 4.15Å; L176-I222 VanDerWaalsContact O-CD1 3.3Å; L176-I222 WeakPolarHBondContact O-CD1 3.34Å; L180-I222 HydrophobicContact CB-CD1 4.27Å; L180-I222 HydrophobicContact CB-CG1 3.67Å; L180-I222 HydrophobicContact CD1-CB 4.5Å; L180-I222 HydrophobicContact CD1-CG1 3.92Å; L180-I222 HydrophobicContact CD2-CG1 4.09Å; L180-I222 HydrophobicContact CG-CG1 4.1Å; N219-I222 HydrophobicContact CB-CD1 3.71Å; N219-I222 HydrophobicContact CB-CG1 4.26Å; N219-I222 WeakPolarHBondContact O-CB 3.28Å; N219-I222 VanDerWaalsContact O-CG1 3.29Å; N219-I222 WeakPolarHBondContact O-CG1 3.44Å; N219-I222 PolarHBondContact O-N 2.91Å; V220-I222 PolarHBondContact O-N 3.41Å; I222-F226 HydrophobicContact CB-CD2 3.92Å; I222-F226 HydrophobicContact CB-CE2 4.4Å; I222-F226 HydrophobicContact CG1-CD2 4.5Å; I222-F226 HydrophobicContact CG2-CB 4.22Å; I222-F226 HydrophobicContact CG2-CD2 3.23Å; I222-F226 HydrophobicContact CG2-CE2 3.83Å; I222-F226 HydrophobicContact CG2-CG 4.03Å; I222-F226 WeakPolarHBondContact O-CA 3.34Å; I222-F226 WeakPolarHBondContact O-CB 3.42Å; I222-F226 WeakPolarHBondContact O-CD2 3.44Å; I222-F226 WeakPolarHBondContact O-CG 3.34Å; I222-F226 PolarHBondContact O-N 3.41Å |
| 223 | E | 40.6 | Very low | 43.6 | Very low | 5 Ų | 5 | 53.5 Ų | 53.5 | 2% | 0.023 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -74.2 | -44.7 | -172.1 | -140.2 | -155.8 | 146.4 | 0 | 0 | 115.7 | V220 E221 Y225 F226 Y227 V232 F233 | V220-E223 WeakPolarHBondContact O-CA 3.4Å; V220-E223 WeakPolarHBondContact O-CB 3.33Å; V220-E223 PolarHBondContact O-N 3.35Å; E221-E223 PolarHBondContact O-N 3.18Å; E221-E223 VanDerWaalsContact O-N 3.12Å; E223-Y225 PolarHBondContact O-N 3.32Å; E223-Y225 VanDerWaalsContact O-N 3.15Å; E223-F226 PolarHBondContact O-N 3.46Å; E223-Y227 HydrophobicContact CG-CD2 3.62Å; E223-Y227 HydrophobicContact CG-CE2 4.45Å; E223-Y227 HydrophobicContact CG-CG 4.16Å; E223-Y227 PolarHBondContact O-N 2.94Å; E223-V232 VanDerWaalsContact CD-CA 3.44Å; E223-V232 HydrophobicContact CG-CB 4.28Å; E223-V232 WeakPolarHBondContact OE1-CA 3.39Å; E223-V232 WeakPolarHBondContact OE1-CB 3.29Å; E223-V232 PolarHBondContact OE1-N 3.34Å; E223-V232 WeakPolarHBondContact OE2-CA 3.5Å; E223-V232 WeakPolarHBondContact OE2-CB 3.45Å; E223-V232 WeakPolarHBondContact OE2-CG1 3.32Å; E223-F233 PolarHBondContact OE1-N 2.72Å; E223-F233 PolarHBondContact OE2-N 2.51Å |
| 224 | N | 42.6 | Very low | 44 | Very low | 56 Ų | 56 | 55.8 Ų | 55.8 | 30% | 0.299 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -69.5 | -17.3 | -177.1 | -85 | 13.7 | 0 | 0 | 0 | 113.6 | E221 F233 H271 | E221-N224 PolarHBondContact O-N 3.46Å; N224-F233 VanDerWaalsContact ND2-CD2 3.25Å; N224-F233 WeakPolarHBondContact ND2-CD2 3.39Å; N224-F233 VanDerWaalsContact ND2-CE2 3.32Å; N224-F233 WeakPolarHBondContact ND2-CE2 3.37Å; N224-F233 WeakPolarHBondContact OD1-CB 3.48Å; N224-F233 WeakPolarHBondContact OD1-CD2 3.35Å; N224-F233 WeakPolarHBondContact OD1-CG 3.47Å; N224-H271 PolarHBondContact ND2-CD2 3.36Å; N224-H271 PolarHBondContact ND2-NE2 2.75Å |
| 225 | Y | 43.9 | Very low | 44.8 | Very low | 87 Ų | 87 | 56 Ų | 56 | 34% | 0.341 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -93.9 | -38.5 | 167.2 | -79.5 | -83.6 | 0 | 0 | 0 | 112.8 | A183 R184 I190 E223 | A183-Y225 VanDerWaalsContact O-CD1 3.28Å; A183-Y225 WeakPolarHBondContact O-CD1 3.35Å; R184-Y225 HydrophobicContact CB-CE2 4.27Å; R184-Y225 HydrophobicContact CG-CD2 3.87Å; R184-Y225 HydrophobicContact CG-CE2 3.82Å; R184-Y225 PolarHBondContact O-OH 3.3Å; I190-Y225 HydrophobicContact CD1-CD1 3.71Å; I190-Y225 HydrophobicContact CD1-CG 4.27Å; I190-Y225 VanDerWaalsContact CD1-O 3.31Å; I190-Y225 WeakPolarHBondContact CD1-O 3.3Å; I190-Y225 WeakPolarHBondContact CG1-O 3.49Å; I190-Y225 WeakPolarHBondContact CG2-O 3.32Å; E223-Y225 PolarHBondContact O-N 3.32Å; E223-Y225 VanDerWaalsContact O-N 3.15Å |
| 226 | F | 41.3 | Very low | 45.7 | Very low | 8 Ų | 8 | 48.1 Ų | 48.1 | 4% | 0.035 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -89.1 | -20.8 | -172 | -69.3 | -71.6 | 0 | 0 | 0 | 115.4 | L179 A183 M189 I190 I193 I222 E223 | L179-F226 HydrophobicContact CB-CZ 4.4Å; A183-F226 HydrophobicContact CB-CD1 4.36Å; A183-F226 HydrophobicContact CB-CD2 4.13Å; A183-F226 HydrophobicContact CB-CE1 3.56Å; A183-F226 HydrophobicContact CB-CE2 3.36Å; A183-F226 HydrophobicContact CB-CZ 3.06Å; M189-F226 HydrophobicContact CE-CZ 4.27Å; M189-F226 HydrophobicContact SD-CE1 4.45Å; M189-F226 HydrophobicContact SD-CZ 4.11Å; I190-F226 HydrophobicContact CB-CD1 4.47Å; I190-F226 HydrophobicContact CG1-CD1 4.07Å; I190-F226 HydrophobicContact CG1-CE1 4.13Å; I193-F226 HydrophobicContact CB-CD1 4.2Å; I193-F226 HydrophobicContact CB-CE1 4.19Å; I193-F226 HydrophobicContact CD1-CD1 3.74Å; I193-F226 HydrophobicContact CD1-CE1 3.13Å; I193-F226 HydrophobicContact CD1-CZ 3.6Å; I193-F226 HydrophobicContact CG1-CD1 4.22Å; I193-F226 HydrophobicContact CG1-CE1 3.71Å; I193-F226 HydrophobicContact CG2-CD1 4.38Å; I222-F226 HydrophobicContact CB-CD2 3.92Å; I222-F226 HydrophobicContact CB-CE2 4.4Å; I222-F226 HydrophobicContact CG1-CD2 4.5Å; I222-F226 HydrophobicContact CG2-CB 4.22Å; I222-F226 HydrophobicContact CG2-CD2 3.23Å; I222-F226 HydrophobicContact CG2-CE2 3.83Å; I222-F226 HydrophobicContact CG2-CG 4.03Å; I222-F226 WeakPolarHBondContact O-CA 3.34Å; I222-F226 WeakPolarHBondContact O-CB 3.42Å; I222-F226 WeakPolarHBondContact O-CD2 3.44Å; I222-F226 WeakPolarHBondContact O-CG 3.34Å; I222-F226 PolarHBondContact O-N 3.41Å; E223-F226 PolarHBondContact O-N 3.46Å |
| 227 | Y | 41.1 | Very low | 46.9 | Very low | 32 Ų | 32 | 45 Ų | 45 | 13% | 0.125 | 23% | 0.226 | C | C | . | . | trans | -129.7 | 107.9 | -173.1 | -63.2 | -89.4 | 0 | 0 | 0 | 114.4 | N203 E223 F230 | N203-Y227 WeakPolarHBondContact CA-OH 3.24Å; N203-Y227 HydrophobicContact CB-CE1 4.37Å; N203-Y227 WeakPolarHBondContact OD1-CE1 3.23Å; N203-Y227 PolarHBondContact OD1-OH 3.04Å; E223-Y227 HydrophobicContact CG-CD2 3.62Å; E223-Y227 HydrophobicContact CG-CE2 4.45Å; E223-Y227 HydrophobicContact CG-CG 4.16Å; E223-Y227 PolarHBondContact O-N 2.94Å; Y227-F230 HydrophobicContact CD1-CB 3.49Å; Y227-F230 VanDerWaalsContact CD1-CB 3.49Å; Y227-F230 AromaticContact CD1-CD2 3.69Å; Y227-F230 HydrophobicContact CD1-CD2 3.69Å; Y227-F230 AromaticContact CD1-CG 3.98Å; Y227-F230 HydrophobicContact CD1-CG 3.98Å; Y227-F230 HydrophobicContact CE1-CB 3.97Å; Y227-F230 AromaticContact CE1-CD2 3.57Å; Y227-F230 HydrophobicContact CE1-CD2 3.57Å; Y227-F230 HydrophobicContact CE1-CE2 4.46Å; Y227-F230 HydrophobicContact CE1-CG 4.02Å; Y227-F230 HydrophobicContact CG-CB 3.91Å | ||
| 228 | S | 44.1 | Very low | 48.2 | Very low | 97 Ų | 97 | 45 Ų | 45 | 68% | 0.678 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -88.2 | -9.9 | 148.4 | 58.3 | 0 | 0 | 0 | 0 | 112.4 | ||
| 229 | E | 41.5 | Very low | 49.3 | Very low | 156 Ų | 156 | 50.5 Ų | 50.5 | 73% | 0.729 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -107.1 | -28.7 | -172.9 | -92.5 | -169.2 | 159.8 | 0 | 0 | 115.2 | ||
| 230 | F | 43.1 | Very low | 50.7 | Low | 78 Ų | 78 | 60 Ų | 60 | 34% | 0.342 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -94.1 | 117.2 | 166.8 | -88.4 | -97.5 | 0 | 0 | 0 | 107.7 | N203 L207 Y227 V232 | N203-F230 HydrophobicContact CB-CE2 4.07Å; N203-F230 HydrophobicContact CB-CZ 4.31Å; N203-F230 WeakPolarHBondContact ND2-CE2 3.32Å; L207-F230 HydrophobicContact CD1-CD1 3.97Å; L207-F230 HydrophobicContact CD1-CE1 3.59Å; L207-F230 HydrophobicContact CD1-CZ 4.35Å; L207-F230 HydrophobicContact CD2-CD1 4.44Å; Y227-F230 HydrophobicContact CD1-CB 3.49Å; Y227-F230 VanDerWaalsContact CD1-CB 3.49Å; Y227-F230 AromaticContact CD1-CD2 3.69Å; Y227-F230 HydrophobicContact CD1-CD2 3.69Å; Y227-F230 AromaticContact CD1-CG 3.98Å; Y227-F230 HydrophobicContact CD1-CG 3.98Å; Y227-F230 HydrophobicContact CE1-CB 3.97Å; Y227-F230 AromaticContact CE1-CD2 3.57Å; Y227-F230 HydrophobicContact CE1-CD2 3.57Å; Y227-F230 HydrophobicContact CE1-CE2 4.46Å; Y227-F230 HydrophobicContact CE1-CG 4.02Å; Y227-F230 HydrophobicContact CG-CB 3.91Å; F230-V232 HydrophobicContact CB-CG2 4.16Å; F230-V232 HydrophobicContact CD1-CG2 4.39Å; F230-V232 PolarHBondContact O-N 3.44Å |
| 231 | D | 48.7 | Very low | 52.1 | Low | 85 Ų | 85 | 62.1 Ų | 62.1 | 46% | 0.455 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | 29.5 | 171.7 | -84.8 | -28.9 | 0 | 0 | 0 | 112.2 | Q234 I235 | D231-Q234 HydrophobicContact CB-CB 3.9Å; D231-Q234 HydrophobicContact CB-CG 4.39Å; D231-Q234 CarbonylContact O-C 3.07Å; D231-Q234 VanDerWaalsContact O-C 3.32Å; D231-Q234 WeakPolarHBondContact O-CA 3.48Å; D231-Q234 WeakPolarHBondContact O-CB 3.49Å; D231-Q234 PolarHBondContact O-N 3.38Å; D231-Q234 PolarHBondContact OD1-NE2 3.28Å; D231-Q234 PolarHBondContact OD1-OE1 3.04Å; D231-I235 WeakPolarHBondContact O-CB 3.06Å; D231-I235 WeakPolarHBondContact O-CG1 3.2Å; D231-I235 PolarHBondContact O-N 3.15Å |
| 232 | V | 52.3 | Low | 54 | Low | 9 Ų | 9 | 61.7 Ų | 61.7 | 6% | 0.055 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -72.4 | -29.8 | -177.7 | -177.5 | 0 | 0 | 0 | 0 | 110.9 | L207 L210 E223 F230 Q234 I235 L236 | L207-V232 HydrophobicContact CD2-CG2 3.44Å; L207-V232 VanDerWaalsContact CD2-CG2 3.44Å; L210-V232 HydrophobicContact CD1-CG1 3.8Å; E223-V232 VanDerWaalsContact CD-CA 3.44Å; E223-V232 HydrophobicContact CG-CB 4.28Å; E223-V232 WeakPolarHBondContact OE1-CA 3.39Å; E223-V232 WeakPolarHBondContact OE1-CB 3.29Å; E223-V232 PolarHBondContact OE1-N 3.34Å; E223-V232 WeakPolarHBondContact OE2-CA 3.5Å; E223-V232 WeakPolarHBondContact OE2-CB 3.45Å; E223-V232 WeakPolarHBondContact OE2-CG1 3.32Å; F230-V232 HydrophobicContact CB-CG2 4.16Å; F230-V232 HydrophobicContact CD1-CG2 4.39Å; F230-V232 PolarHBondContact O-N 3.44Å; V232-Q234 VanDerWaalsContact C-N 3.29Å; V232-Q234 PolarHBondContact O-N 2.95Å; V232-I235 HydrophobicContact CB-CD1 4.37Å; V232-I235 HydrophobicContact CG2-CD1 3.85Å; V232-I235 CarbonylContact O-C 3.32Å; V232-I235 WeakPolarHBondContact O-CA 3.47Å; V232-I235 WeakPolarHBondContact O-CB 3.27Å; V232-I235 PolarHBondContact O-N 2.98Å; V232-L236 HydrophobicContact CG1-CD1 3.98Å; V232-L236 HydrophobicContact CG1-CG 4.06Å; V232-L236 WeakPolarHBondContact O-CB 3.47Å; V232-L236 VanDerWaalsContact O-CG 3.24Å; V232-L236 WeakPolarHBondContact O-CG 3.31Å; V232-L236 PolarHBondContact O-N 3.36Å |
| 233 | F | 57.4 | Low | 55.8 | Low | 39 Ų | 39 | 63.4 Ų | 63.4 | 17% | 0.171 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.5 | -43.4 | 165.8 | 177.6 | -94.1 | 0 | 0 | 0 | 108.6 | E223 N224 I235 L236 S237 L272 E275 V278 | E223-F233 PolarHBondContact OE1-N 2.72Å; E223-F233 PolarHBondContact OE2-N 2.51Å; N224-F233 VanDerWaalsContact ND2-CD2 3.25Å; N224-F233 WeakPolarHBondContact ND2-CD2 3.39Å; N224-F233 VanDerWaalsContact ND2-CE2 3.32Å; N224-F233 WeakPolarHBondContact ND2-CE2 3.37Å; N224-F233 WeakPolarHBondContact OD1-CB 3.48Å; N224-F233 WeakPolarHBondContact OD1-CD2 3.35Å; N224-F233 WeakPolarHBondContact OD1-CG 3.47Å; F233-I235 VanDerWaalsContact C-N 3.27Å; F233-I235 PolarHBondContact O-N 3.47Å; F233-L236 PolarHBondContact O-N 2.92Å; F233-S237 WeakPolarHBondContact O-CA 3.3Å; F233-S237 WeakPolarHBondContact O-CB 3.45Å; F233-S237 PolarHBondContact O-N 2.65Å; F233-S237 PolarHBondContact O-OG 2.92Å; F233-L272 HydrophobicContact CD2-CD2 4.06Å; F233-L272 HydrophobicContact CE2-CD2 3.58Å; F233-E275 HydrophobicContact CE1-CG 4.33Å; F233-E275 HydrophobicContact CZ-CB 4.05Å; F233-E275 HydrophobicContact CZ-CG 3.91Å; F233-V278 HydrophobicContact CZ-CG2 4.2Å |
| 234 | Q | 57.6 | Low | 57.6 | Low | 120 Ų | 120 | 68.2 Ų | 68.2 | 56% | 0.561 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -66 | -27 | 173.5 | -66.2 | -171 | 26.7 | 0 | 0 | 112.9 | D231 V232 S237 A238 | D231-Q234 HydrophobicContact CB-CB 3.9Å; D231-Q234 HydrophobicContact CB-CG 4.39Å; D231-Q234 CarbonylContact O-C 3.07Å; D231-Q234 VanDerWaalsContact O-C 3.32Å; D231-Q234 WeakPolarHBondContact O-CA 3.48Å; D231-Q234 WeakPolarHBondContact O-CB 3.49Å; D231-Q234 PolarHBondContact O-N 3.38Å; D231-Q234 PolarHBondContact OD1-NE2 3.28Å; D231-Q234 PolarHBondContact OD1-OE1 3.04Å; V232-Q234 VanDerWaalsContact C-N 3.29Å; V232-Q234 PolarHBondContact O-N 2.95Å; Q234-S237 WeakPolarHBondContact CA-OG 3.37Å; Q234-A238 WeakPolarHBondContact O-CA 3.42Å; Q234-A238 WeakPolarHBondContact O-CB 3.29Å; Q234-A238 PolarHBondContact O-N 3.11Å |
| 235 | I | 59.7 | Low | 59.3 | Low | 76 Ų | 76 | 65.7 Ų | 65.7 | 39% | 0.39 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -76.8 | -40.2 | 175.9 | -69.9 | 159.1 | 0 | 0 | 0 | 110 | D231 V232 F233 A238 N241 | D231-I235 WeakPolarHBondContact O-CB 3.06Å; D231-I235 WeakPolarHBondContact O-CG1 3.2Å; D231-I235 PolarHBondContact O-N 3.15Å; V232-I235 HydrophobicContact CB-CD1 4.37Å; V232-I235 HydrophobicContact CG2-CD1 3.85Å; V232-I235 CarbonylContact O-C 3.32Å; V232-I235 WeakPolarHBondContact O-CA 3.47Å; V232-I235 WeakPolarHBondContact O-CB 3.27Å; V232-I235 PolarHBondContact O-N 2.98Å; F233-I235 VanDerWaalsContact C-N 3.27Å; F233-I235 PolarHBondContact O-N 3.47Å; I235-A238 VanDerWaalsContact O-CB 3.26Å; I235-A238 WeakPolarHBondContact O-CB 3.43Å; I235-A238 PolarHBondContact O-N 3.42Å; I235-N241 VanDerWaalsContact O-CB 3.3Å; I235-N241 WeakPolarHBondContact O-CB 3.4Å; I235-N241 PolarHBondContact O-ND2 3.09Å |
| 236 | L | 60.6 | Low | 61.3 | Low | 14 Ų | 14 | 61.6 Ų | 61.6 | 7% | 0.073 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -77.7 | -37.1 | 179.9 | -68.7 | 172.2 | 0 | 0 | 0 | 111.4 | V220 V232 F233 A238 L242 T245 | V220-L236 HydrophobicContact CB-CD1 4.02Å; V220-L236 HydrophobicContact CG1-CD1 3.17Å; V220-L236 HydrophobicContact CG2-CD1 3.57Å; V232-L236 HydrophobicContact CG1-CD1 3.98Å; V232-L236 HydrophobicContact CG1-CG 4.06Å; V232-L236 WeakPolarHBondContact O-CB 3.47Å; V232-L236 VanDerWaalsContact O-CG 3.24Å; V232-L236 WeakPolarHBondContact O-CG 3.31Å; V232-L236 PolarHBondContact O-N 3.36Å; F233-L236 PolarHBondContact O-N 2.92Å; L236-A238 VanDerWaalsContact C-N 3.29Å; L236-L242 WeakPolarHBondContact O-CA 3.48Å; L236-T245 HydrophobicContact CB-CG2 4.29Å; L236-T245 HydrophobicContact CD2-CG2 4.05Å; L236-T245 PolarHBondContact O-OG1 2.62Å |
| 237 | S | 63.8 | Low | 63.4 | Low | 20 Ų | 20 | 64.7 Ų | 64.7 | 14% | 0.14 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -82.1 | -3.6 | 169.2 | 69.5 | 0 | 0 | 0 | 0 | 113.2 | F233 Q234 D239 | F233-S237 WeakPolarHBondContact O-CA 3.3Å; F233-S237 WeakPolarHBondContact O-CB 3.45Å; F233-S237 PolarHBondContact O-N 2.65Å; F233-S237 PolarHBondContact O-OG 2.92Å; Q234-S237 WeakPolarHBondContact CA-OG 3.37Å; S237-D239 PolarHBondContact O-N 3.21Å |
| 238 | A | 66.7 | Low | 65.2 | Low | 23 Ų | 23 | 64 Ų | 64 | 19% | 0.19 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -61.3 | 135 | 173.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | Q234 I235 L236 R240 N241 L242 | Q234-A238 WeakPolarHBondContact O-CA 3.42Å; Q234-A238 WeakPolarHBondContact O-CB 3.29Å; Q234-A238 PolarHBondContact O-N 3.11Å; I235-A238 VanDerWaalsContact O-CB 3.26Å; I235-A238 WeakPolarHBondContact O-CB 3.43Å; I235-A238 PolarHBondContact O-N 3.42Å; L236-A238 VanDerWaalsContact C-N 3.29Å; A238-R240 HydrophobicContact CB-CG 4.22Å; A238-R240 PolarHBondContact O-N 3.44Å; A238-N241 PolarHBondContact O-N 2.95Å; A238-L242 PolarHBondContact O-N 2.92Å |
| 239 | D | 65.2 | Low | 67.2 | Low | 123 Ų | 123 | 59.5 Ų | 59.5 | 66% | 0.658 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.2 | -39.1 | -176.4 | -56.4 | 6.5 | 0 | 0 | 0 | 113 | S237 N241 Q281 | S237-D239 PolarHBondContact O-N 3.21Å; D239-N241 PolarHBondContact O-N 3.42Å; D239-Q281 VanDerWaalsContact CG-NE2 3.34Å; D239-Q281 PolarHBondContact OD1-NE2 2.94Å |
| 240 | R | 69.6 | Low | 69.4 | Low | 210 Ų | 210 | 52.3 Ų | 52.3 | 79% | 0.792 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -24.5 | -179.4 | 62.3 | 177.4 | 178.1 | -162.2 | -2.6 | 115 | A238 | A238-R240 HydrophobicContact CB-CG 4.22Å; A238-R240 PolarHBondContact O-N 3.44Å |
| 241 | N | 72 | Confident | 71.5 | Confident | 53 Ų | 53 | 51.1 Ų | 51.1 | 28% | 0.283 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | -21.3 | -173.4 | -67.4 | -23 | 0 | 0 | 0 | 112.4 | I235 A238 D239 I243 E244 T245 | I235-N241 VanDerWaalsContact O-CB 3.3Å; I235-N241 WeakPolarHBondContact O-CB 3.4Å; I235-N241 PolarHBondContact O-ND2 3.09Å; A238-N241 PolarHBondContact O-N 2.95Å; D239-N241 PolarHBondContact O-N 3.42Å; N241-I243 PolarHBondContact O-N 3.48Å; N241-E244 PolarHBondContact O-N 2.87Å; N241-E244 VanDerWaalsContact O-N 3.07Å; N241-T245 PolarHBondContact O-N 2.99Å; N241-T245 PolarHBondContact O-OG1 2.91Å |
| 242 | L | 79.5 | Confident | 73.2 | Confident | 3 Ų | 3 | 47.1 Ų | 47.1 | 2% | 0.016 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -52.4 | -49.2 | -168 | -173.4 | 58.6 | 0 | 0 | 0 | 113.8 | L236 A238 E244 T245 F246 V278 Q281 | L236-L242 WeakPolarHBondContact O-CA 3.48Å; A238-L242 PolarHBondContact O-N 2.92Å; L242-E244 PolarHBondContact O-N 3.29Å; L242-T245 VanDerWaalsContact O-CB 3.32Å; L242-T245 WeakPolarHBondContact O-CB 3.46Å; L242-T245 PolarHBondContact O-N 2.82Å; L242-F246 HydrophobicContact CD1-CD2 3.81Å; L242-F246 HydrophobicContact CD1-CE2 3.52Å; L242-F246 HydrophobicContact CG-CD2 4.02Å; L242-F246 HydrophobicContact CG-CE2 4.02Å; L242-F246 WeakPolarHBondContact O-CD2 3.35Å; L242-F246 PolarHBondContact O-N 3.25Å; L242-V278 HydrophobicContact CD1-CG1 3.88Å; L242-V278 HydrophobicContact CD2-CG1 4.25Å; L242-Q281 HydrophobicContact CD2-CB 3.57Å |
| 243 | I | 80 | Confident | 75 | Confident | 38 Ų | 38 | 47.1 Ų | 47.1 | 20% | 0.195 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.5 | -41 | -178.7 | -60 | -54.6 | 0 | 0 | 0 | 111.7 | N241 T245 F246 K247 L282 S285 L287 | N241-I243 PolarHBondContact O-N 3.48Å; I243-T245 VanDerWaalsContact C-N 3.32Å; I243-F246 PolarHBondContact O-N 3.26Å; I243-K247 HydrophobicContact CG2-CD 4.39Å; I243-K247 WeakPolarHBondContact O-CG 3.36Å; I243-K247 PolarHBondContact O-N 3.02Å; I243-L282 HydrophobicContact CD1-CD1 4.34Å; I243-S285 VanDerWaalsContact CD1-CB 3.47Å; I243-S285 VanDerWaalsContact CD1-OG 3.22Å; I243-S285 WeakPolarHBondContact CD1-OG 3.46Å; I243-L287 HydrophobicContact CG2-CD1 3.73Å |
| 244 | E | 80 | Confident | 76.5 | Confident | 105 Ų | 105 | 46.7 Ų | 46.7 | 49% | 0.491 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -67.5 | -35.2 | 176.1 | -66.1 | -54.4 | 132.5 | 0 | 0 | 111.6 | N241 L242 K247 C248 | N241-E244 PolarHBondContact O-N 2.87Å; N241-E244 VanDerWaalsContact O-N 3.07Å; L242-E244 PolarHBondContact O-N 3.29Å; E244-K247 PolarHBondContact O-N 3Å; E244-K247 WeakPolarHBondContact OE1-CD 3.3Å; E244-K247 IonicContact OE1-NZ 3.29Å; E244-K247 PolarHBondContact OE1-NZ 2.92Å; E244-C248 VanDerWaalsContact O-CB 3.29Å; E244-C248 WeakPolarHBondContact O-CB 3.32Å; E244-C248 PolarHBondContact O-N 3.31Å |
| 245 | T | 78.2 | Confident | 77.7 | Confident | 3 Ų | 3 | 48.2 Ų | 48.2 | 2% | 0.018 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.8 | -49.1 | 170.4 | -55.6 | 0 | 0 | 0 | 0 | 110.7 | L236 N241 L242 I243 C248 I249 L272 | L236-T245 HydrophobicContact CB-CG2 4.29Å; L236-T245 HydrophobicContact CD2-CG2 4.05Å; L236-T245 PolarHBondContact O-OG1 2.62Å; N241-T245 PolarHBondContact O-N 2.99Å; N241-T245 PolarHBondContact O-OG1 2.91Å; L242-T245 VanDerWaalsContact O-CB 3.32Å; L242-T245 WeakPolarHBondContact O-CB 3.46Å; L242-T245 PolarHBondContact O-N 2.82Å; I243-T245 VanDerWaalsContact C-N 3.32Å; T245-C248 WeakPolarHBondContact O-CB 3.4Å; T245-C248 PolarHBondContact O-N 3.3Å; T245-I249 HydrophobicContact CG2-CD1 3.91Å; T245-I249 VanDerWaalsContact O-CG1 3.25Å; T245-I249 WeakPolarHBondContact O-CG1 3.21Å; T245-I249 PolarHBondContact O-N 3.44Å; T245-L272 HydrophobicContact CG2-CD1 4.26Å |
| 246 | F | 85.7 | Confident | 78.5 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 0% | 0.004 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.5 | -39.6 | 178 | -85.4 | -77.3 | 0 | 0 | 0 | 113.1 | L242 I243 C248 I249 V250 F269 L272 I273 V278 L282 L291 | L242-F246 HydrophobicContact CD1-CD2 3.81Å; L242-F246 HydrophobicContact CD1-CE2 3.52Å; L242-F246 HydrophobicContact CG-CD2 4.02Å; L242-F246 HydrophobicContact CG-CE2 4.02Å; L242-F246 WeakPolarHBondContact O-CD2 3.35Å; L242-F246 PolarHBondContact O-N 3.25Å; I243-F246 PolarHBondContact O-N 3.26Å; F246-C248 VanDerWaalsContact C-N 3.3Å; F246-C248 PolarHBondContact O-N 3.24Å; F246-I249 PolarHBondContact O-N 2.93Å; F246-V250 WeakPolarHBondContact O-CB 3.31Å; F246-V250 VanDerWaalsContact O-CG2 3.31Å; F246-V250 WeakPolarHBondContact O-CG2 3.49Å; F246-V250 PolarHBondContact O-N 2.83Å; F246-F269 AromaticContact CD1-CD2 3.73Å; F246-F269 HydrophobicContact CD1-CD2 3.73Å; F246-F269 AromaticContact CD1-CE2 3.52Å; F246-F269 HydrophobicContact CD1-CE2 3.52Å; F246-F269 HydrophobicContact CD1-CZ 4.23Å; F246-F269 AromaticContact CE1-CD2 3.78Å; F246-F269 HydrophobicContact CE1-CD2 3.78Å; F246-F269 HydrophobicContact CE1-CE1 4.5Å; F246-F269 AromaticContact CE1-CE2 3.73Å; F246-F269 HydrophobicContact CE1-CE2 3.73Å; F246-F269 HydrophobicContact CE1-CG 4.21Å; F246-F269 HydrophobicContact CE1-CZ 4.11Å; F246-L272 HydrophobicContact CE1-CB 4.42Å; F246-L272 HydrophobicContact CE2-CD1 4.48Å; F246-L272 HydrophobicContact CZ-CB 3.78Å; F246-L272 HydrophobicContact CZ-CD1 4.18Å; F246-I273 HydrophobicContact CE1-CG2 3.92Å; F246-I273 HydrophobicContact CZ-CG2 3.9Å; F246-V278 HydrophobicContact CE2-CG1 3.84Å; F246-V278 HydrophobicContact CZ-CG1 4.03Å; F246-L282 HydrophobicContact CB-CD1 4.41Å; F246-L282 HydrophobicContact CD1-CD1 4.38Å; F246-L282 HydrophobicContact CD1-CD2 4.23Å; F246-L282 HydrophobicContact CD2-CD1 3.68Å; F246-L282 HydrophobicContact CD2-CD2 4.35Å; F246-L282 HydrophobicContact CE1-CD2 3.8Å; F246-L282 HydrophobicContact CE2-CB 4.49Å; F246-L282 HydrophobicContact CE2-CD1 3.99Å; F246-L282 HydrophobicContact CE2-CD2 3.92Å; F246-L282 HydrophobicContact CE2-CG 4.35Å; F246-L282 HydrophobicContact CG-CD1 3.9Å; F246-L282 HydrophobicContact CG-CD2 4.5Å; F246-L282 HydrophobicContact CZ-CD1 4.48Å; F246-L282 HydrophobicContact CZ-CD2 3.64Å; F246-L291 HydrophobicContact CB-CD1 4.27Å |
| 247 | K | 85 | Confident | 79.1 | Confident | 74 Ų | 74 | 51.3 Ų | 51.3 | 32% | 0.322 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -57.8 | -44.3 | 172 | -76.5 | 172.4 | -178.1 | 173.1 | 0 | 111.6 | I243 E244 N251 L291 | I243-K247 HydrophobicContact CG2-CD 4.39Å; I243-K247 WeakPolarHBondContact O-CG 3.36Å; I243-K247 PolarHBondContact O-N 3.02Å; E244-K247 PolarHBondContact O-N 3Å; E244-K247 WeakPolarHBondContact OE1-CD 3.3Å; E244-K247 IonicContact OE1-NZ 3.29Å; E244-K247 PolarHBondContact OE1-NZ 2.92Å; K247-N251 VanDerWaalsContact O-CB 3.3Å; K247-N251 WeakPolarHBondContact O-CB 3.12Å; K247-N251 PolarHBondContact O-N 3.27Å; K247-L291 HydrophobicContact CG-CD2 3.95Å |
| 248 | C | 78.9 | Confident | 79.8 | Confident | 17 Ų | 17 | 52.3 Ų | 52.3 | 12% | 0.115 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.7 | -54.3 | 174.7 | 157.5 | 0 | 0 | 0 | 0 | 110.9 | M214 E244 T245 F246 V250 N251 V252 | M214-C248 VanDerWaalsContact C-SG 3.6Å; M214-C248 HydrophobicContact CB-CB 4.22Å; M214-C248 VanDerWaalsContact CB-SG 3.53Å; M214-C248 HydrophobicContact CE-CB 4.09Å; M214-C248 PolarHBondContact O-SG 2.91Å; M214-C248 HydrophobicContact SD-CB 4.1Å; E244-C248 VanDerWaalsContact O-CB 3.29Å; E244-C248 WeakPolarHBondContact O-CB 3.32Å; E244-C248 PolarHBondContact O-N 3.31Å; T245-C248 WeakPolarHBondContact O-CB 3.4Å; T245-C248 PolarHBondContact O-N 3.3Å; F246-C248 VanDerWaalsContact C-N 3.3Å; F246-C248 PolarHBondContact O-N 3.24Å; C248-V250 VanDerWaalsContact C-N 3.33Å; C248-V250 PolarHBondContact O-N 3.07Å; C248-N251 CarbonylContact O-C 3.6Å; C248-N251 WeakPolarHBondContact O-CA 3.14Å; C248-N251 WeakPolarHBondContact O-CB 3.36Å; C248-N251 PolarHBondContact O-N 2.75Å; C248-V252 WeakPolarHBondContact O-CG2 3.33Å; C248-V252 PolarHBondContact O-N 3.08Å |
| 249 | I | 84.8 | Confident | 80.4 | Confident | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.3 | -49 | -178.7 | -68.7 | 167.3 | 0 | 0 | 0 | 110.6 | T245 F246 N251 V252 I253 A265 L268 F269 L272 | T245-I249 HydrophobicContact CG2-CD1 3.91Å; T245-I249 VanDerWaalsContact O-CG1 3.25Å; T245-I249 WeakPolarHBondContact O-CG1 3.21Å; T245-I249 PolarHBondContact O-N 3.44Å; F246-I249 PolarHBondContact O-N 2.93Å; I249-N251 VanDerWaalsContact C-N 3.31Å; I249-N251 PolarHBondContact O-N 3.25Å; I249-V252 PolarHBondContact O-N 3.19Å; I249-V252 VanDerWaalsContact O-N 3.15Å; I249-I253 HydrophobicContact CG2-CD1 3.84Å; I249-I253 HydrophobicContact CG2-CG1 4.4Å; I249-I253 VanDerWaalsContact O-CG1 3.3Å; I249-I253 WeakPolarHBondContact O-CG1 3.38Å; I249-I253 PolarHBondContact O-N 3.44Å; I249-A265 HydrophobicContact CG2-CB 4.3Å; I249-A265 VanDerWaalsContact CG2-O 3.27Å; I249-A265 WeakPolarHBondContact CG2-O 3.23Å; I249-L268 HydrophobicContact CD1-CD2 3.52Å; I249-L268 HydrophobicContact CD1-CG 3.92Å; I249-L268 HydrophobicContact CG1-CD2 3.87Å; I249-F269 HydrophobicContact CG2-CB 3.95Å; I249-F269 HydrophobicContact CG2-CD2 3.97Å; I249-F269 HydrophobicContact CG2-CG 4.48Å; I249-L272 HydrophobicContact CD1-CD1 3.44Å; I249-L272 VanDerWaalsContact CD1-CD1 3.44Å |
| 250 | V | 89.6 | Confident | 81.2 | Confident | 6 Ų | 6 | 49 Ų | 49 | 4% | 0.036 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.2 | -42 | 177.2 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | F246 C248 V252 I253 C254 F269 L291 V294 L295 | F246-V250 WeakPolarHBondContact O-CB 3.31Å; F246-V250 VanDerWaalsContact O-CG2 3.31Å; F246-V250 WeakPolarHBondContact O-CG2 3.49Å; F246-V250 PolarHBondContact O-N 2.83Å; C248-V250 VanDerWaalsContact C-N 3.33Å; C248-V250 PolarHBondContact O-N 3.07Å; V250-V252 VanDerWaalsContact C-N 3.34Å; V250-V252 PolarHBondContact O-N 2.98Å; V250-I253 PolarHBondContact O-N 3.06Å; V250-C254 WeakPolarHBondContact O-CB 3.47Å; V250-C254 PolarHBondContact O-N 2.99Å; V250-C254 PolarHBondContact O-SG 2.83Å; V250-F269 HydrophobicContact CG2-CE2 4.19Å; V250-L291 HydrophobicContact CB-CD2 4.15Å; V250-L291 HydrophobicContact CG1-CD2 4.31Å; V250-L291 HydrophobicContact CG2-CB 4.42Å; V250-L291 HydrophobicContact CG2-CD2 4.09Å; V250-V294 HydrophobicContact CG1-CB 4.4Å; V250-V294 HydrophobicContact CG1-CG1 4.04Å; V250-L295 HydrophobicContact CG1-CD2 4.1Å; V250-L295 HydrophobicContact CG1-CG 4.18Å; V250-L295 HydrophobicContact CG2-CD1 4.01Å; V250-L295 HydrophobicContact CG2-CD2 4.21Å; V250-L295 HydrophobicContact CG2-CG 4.12Å |
| 251 | N | 85.7 | Confident | 81.8 | Confident | 53 Ų | 53 | 39.5 Ų | 39.5 | 28% | 0.283 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -62.6 | -39.1 | 176.2 | -177 | 70 | 0 | 0 | 0 | 112.4 | K247 C248 I249 C254 K255 | K247-N251 VanDerWaalsContact O-CB 3.3Å; K247-N251 WeakPolarHBondContact O-CB 3.12Å; K247-N251 PolarHBondContact O-N 3.27Å; C248-N251 CarbonylContact O-C 3.6Å; C248-N251 WeakPolarHBondContact O-CA 3.14Å; C248-N251 WeakPolarHBondContact O-CB 3.36Å; C248-N251 PolarHBondContact O-N 2.75Å; I249-N251 VanDerWaalsContact C-N 3.31Å; I249-N251 PolarHBondContact O-N 3.25Å; N251-C254 PolarHBondContact O-N 2.77Å; N251-K255 WeakPolarHBondContact O-CB 3.45Å; N251-K255 PolarHBondContact O-N 3.33Å |
| 252 | V | 84.7 | Confident | 82.5 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.006 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.9 | -46.4 | 174.4 | -179.2 | 0 | 0 | 0 | 0 | 110.9 | R215 V218 C248 I249 V250 C254 K255 G256 A261 R262 A265 | R215-V252 WeakPolarHBondContact O-CG2 3.33Å; V218-V252 HydrophobicContact CG2-CB 4.03Å; V218-V252 HydrophobicContact CG2-CG1 3.99Å; V218-V252 HydrophobicContact CG2-CG2 3.94Å; C248-V252 WeakPolarHBondContact O-CG2 3.33Å; C248-V252 PolarHBondContact O-N 3.08Å; I249-V252 PolarHBondContact O-N 3.19Å; I249-V252 VanDerWaalsContact O-N 3.15Å; V250-V252 VanDerWaalsContact C-N 3.34Å; V250-V252 PolarHBondContact O-N 2.98Å; V252-C254 VanDerWaalsContact C-N 3.26Å; V252-C254 PolarHBondContact O-N 3.44Å; V252-K255 PolarHBondContact O-N 3.42Å; V252-G256 WeakPolarHBondContact O-CA 3.48Å; V252-G256 PolarHBondContact O-N 3.35Å; V252-A261 HydrophobicContact CG1-CB 4.41Å; V252-R262 WeakPolarHBondContact O-CG 3.34Å; V252-A265 HydrophobicContact CB-CB 4.03Å; V252-A265 HydrophobicContact CG1-CB 3.85Å |
| 253 | I | 90.3 | Very high | 83 | Confident | 9 Ų | 9 | 39.5 Ų | 39.5 | 5% | 0.046 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -55.4 | -44.8 | 177.4 | -65.2 | 168.3 | 0 | 0 | 0 | 110.5 | I249 V250 R262 A265 V266 F269 L295 L298 L315 | I249-I253 HydrophobicContact CG2-CD1 3.84Å; I249-I253 HydrophobicContact CG2-CG1 4.4Å; I249-I253 VanDerWaalsContact O-CG1 3.3Å; I249-I253 WeakPolarHBondContact O-CG1 3.38Å; I249-I253 PolarHBondContact O-N 3.44Å; V250-I253 PolarHBondContact O-N 3.06Å; I253-R262 WeakPolarHBondContact O-CD 3.24Å; I253-A265 HydrophobicContact CD1-CB 4.36Å; I253-A265 HydrophobicContact CG1-CB 3.51Å; I253-V266 HydrophobicContact CD1-CG2 3.9Å; I253-V266 HydrophobicContact CG1-CG2 3.92Å; I253-V266 HydrophobicContact CG2-CG2 4.07Å; I253-F269 HydrophobicContact CD1-CB 4.49Å; I253-L295 HydrophobicContact CB-CD2 4.32Å; I253-L295 HydrophobicContact CD1-CD2 4.05Å; I253-L295 HydrophobicContact CG2-CD2 3.96Å; I253-L298 HydrophobicContact CG2-CD1 3.63Å; I253-L315 HydrophobicContact CD1-CD2 4.39Å |
| 254 | C | 88.7 | Confident | 83.2 | Confident | 29 Ų | 29 | 37.8 Ų | 37.8 | 20% | 0.196 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -79.6 | -39.3 | -175.8 | -63.2 | 0 | 0 | 0 | 0 | 114.1 | V250 N251 V252 V294 L298 | V250-C254 WeakPolarHBondContact O-CB 3.47Å; V250-C254 PolarHBondContact O-N 2.99Å; V250-C254 PolarHBondContact O-SG 2.83Å; N251-C254 PolarHBondContact O-N 2.77Å; V252-C254 VanDerWaalsContact C-N 3.26Å; V252-C254 PolarHBondContact O-N 3.44Å; C254-V294 VanDerWaalsContact SG-CG1 3.57Å; C254-L298 HydrophobicContact CB-CD2 4.4Å |
| 255 | K | 83.8 | Confident | 83.4 | Confident | 153 Ų | 153 | 32.8 Ų | 32.8 | 67% | 0.665 | 16% | 0.161 | S | C | * | . | H | α-helix | trans | -125.2 | -5.9 | -166.2 | -61.6 | -175.5 | -173.9 | 167.4 | 0 | 115.3 | N251 V252 E257 | N251-K255 WeakPolarHBondContact O-CB 3.45Å; N251-K255 PolarHBondContact O-N 3.33Å; V252-K255 PolarHBondContact O-N 3.42Å; K255-E257 PolarHBondContact O-N 3.06Å |
| 256 | G | 76.7 | Confident | 84 | Confident | 2 Ų | 2 | 32.8 Ų | 32.8 | 2% | 0.021 | 16% | 0.161 | C | C | . | . | trans | -57.8 | 137 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112 | V252 R262 | V252-G256 WeakPolarHBondContact O-CA 3.48Å; V252-G256 PolarHBondContact O-N 3.35Å; G256-R262 PolarHBondContact O-NE 2.65Å; G256-R262 PolarHBondContact O-NH2 2.97Å | ||
| 257 | E | 72.5 | Confident | 84 | Confident | 153 Ų | 153 | 33.2 Ų | 33.2 | 72% | 0.715 | 16% | 0.163 | S | C | * | . | S | Bend | trans | -71.5 | -35.1 | -177 | -65.1 | -168.6 | 170.5 | 0 | 0 | 112.4 | E216 K255 | E216-E257 WeakPolarHBondContact OE1-CG 3.25Å; K255-E257 PolarHBondContact O-N 3.06Å |
| 258 | S | 77.6 | Confident | 83.9 | Confident | 41 Ų | 41 | 29.9 Ų | 29.9 | 29% | 0.287 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -84.1 | 124.6 | 177.1 | 174.1 | 0 | 0 | 0 | 0 | 111.8 | L260 A261 R262 | S258-L260 PolarHBondContact O-N 2.91Å; S258-A261 WeakPolarHBondContact O-CB 3.44Å; S258-A261 PolarHBondContact O-N 3.34Å; S258-A261 PolarHBondContact OG-N 2.94Å; S258-R262 PolarHBondContact O-N 2.88Å |
| 259 | F | 79.3 | Confident | 84.3 | Confident | 69 Ų | 69 | 29.2 Ų | 29.2 | 30% | 0.303 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -62.4 | -40.1 | 178.1 | -53.8 | -69.8 | 0 | 0 | 0 | 113.2 | W91 A261 R262 F263 Q308 | W91-F259 AromaticContact CE2-CD2 3.98Å; W91-F259 HydrophobicContact CH2-CB 3.29Å; W91-F259 HydrophobicContact CH2-CG 4.02Å; W91-F259 HydrophobicContact CZ2-CB 3.25Å; W91-F259 AromaticContact CZ2-CD1 3.93Å; W91-F259 HydrophobicContact CZ2-CD1 3.93Å; W91-F259 AromaticContact CZ2-CD2 3.86Å; W91-F259 HydrophobicContact CZ2-CD2 3.86Å; W91-F259 AromaticContact CZ2-CG 3.42Å; W91-F259 HydrophobicContact CZ2-CG 3.42Å; W91-F259 VanDerWaalsContact CZ2-CG 3.42Å; W91-F259 HydrophobicContact CZ3-CB 4.23Å; F259-A261 VanDerWaalsContact C-N 3.32Å; F259-R262 WeakPolarHBondContact O-CB 3.31Å; F259-R262 PolarHBondContact O-N 3.28Å; F259-F263 WeakPolarHBondContact O-CD1 3.45Å; F259-F263 PolarHBondContact O-N 2.87Å; F259-Q308 HydrophobicContact CD1-CG 4.35Å |
| 260 | L | 83.8 | Confident | 84.5 | Confident | 8 Ų | 8 | 30.3 Ų | 30.3 | 4% | 0.042 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -69.2 | -33.2 | 176.9 | -74.4 | 174.1 | 0 | 0 | 0 | 111.2 | W91 Q135 L136 Y139 S258 R262 F263 Y264 | W91-L260 HydrophobicContact CZ3-CD2 4.41Å; Q135-L260 HydrophobicContact CB-CD1 4.08Å; Q135-L260 HydrophobicContact CG-CD1 3.77Å; L136-L260 HydrophobicContact CB-CD1 4.3Å; L136-L260 HydrophobicContact CD1-CD2 4.34Å; Y139-L260 HydrophobicContact CD1-CD2 3.9Å; Y139-L260 HydrophobicContact CD2-CD2 4.47Å; Y139-L260 HydrophobicContact CE1-CD2 4.44Å; Y139-L260 HydrophobicContact CG-CD2 3.91Å; S258-L260 PolarHBondContact O-N 2.91Å; L260-R262 VanDerWaalsContact C-N 3.29Å; L260-R262 PolarHBondContact O-N 2.97Å; L260-F263 HydrophobicContact CD2-CD2 3.97Å; L260-F263 WeakPolarHBondContact O-CA 3.48Å; L260-F263 WeakPolarHBondContact O-CB 3.28Å; L260-F263 PolarHBondContact O-N 3.48Å; L260-Y264 HydrophobicContact CB-CD2 4.43Å; L260-Y264 HydrophobicContact CB-CE2 4Å; L260-Y264 WeakPolarHBondContact O-CD2 3.25Å; L260-Y264 PolarHBondContact O-N 3.44Å |
| 261 | A | 80.7 | Confident | 84.2 | Confident | 10 Ų | 10 | 33.4 Ų | 33.4 | 8% | 0.083 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.1 | -39.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E216 V252 S258 F259 F263 Y264 A265 | E216-A261 WeakPolarHBondContact O-CB 3.29Å; V252-A261 HydrophobicContact CG1-CB 4.41Å; S258-A261 WeakPolarHBondContact O-CB 3.44Å; S258-A261 PolarHBondContact O-N 3.34Å; S258-A261 PolarHBondContact OG-N 2.94Å; F259-A261 VanDerWaalsContact C-N 3.32Å; A261-F263 VanDerWaalsContact C-N 3.25Å; A261-F263 PolarHBondContact O-N 3.26Å; A261-Y264 PolarHBondContact O-N 3.45Å; A261-A265 WeakPolarHBondContact O-CB 3.33Å; A261-A265 PolarHBondContact O-N 3.43Å |
| 262 | R | 87 | Confident | 84 | Confident | 49 Ų | 49 | 30.9 Ų | 30.9 | 19% | 0.185 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.5 | -37.5 | 172.2 | -58 | -178.5 | -175.9 | -164.1 | -9.2 | 111.7 | V252 I253 G256 S258 F259 L260 A265 V266 | V252-R262 WeakPolarHBondContact O-CG 3.34Å; I253-R262 WeakPolarHBondContact O-CD 3.24Å; G256-R262 PolarHBondContact O-NE 2.65Å; G256-R262 PolarHBondContact O-NH2 2.97Å; S258-R262 PolarHBondContact O-N 2.88Å; F259-R262 WeakPolarHBondContact O-CB 3.31Å; F259-R262 PolarHBondContact O-N 3.28Å; L260-R262 VanDerWaalsContact C-N 3.29Å; L260-R262 PolarHBondContact O-N 2.97Å; R262-A265 WeakPolarHBondContact O-CB 3.46Å; R262-A265 PolarHBondContact O-N 2.97Å; R262-V266 PolarHBondContact O-N 2.91Å |
| 263 | F | 89.3 | Confident | 84.1 | Confident | 6 Ų | 6 | 30.9 Ų | 30.9 | 3% | 0.026 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -71.1 | -44.1 | -179.1 | -72.9 | 8.5 | 0 | 0 | 0 | 112.5 | W91 Y139 F259 L260 A261 A265 V266 D267 N307 F310 K311 | W91-F263 HydrophobicContact CH2-CD2 4.42Å; W91-F263 HydrophobicContact CH2-CE1 4.17Å; W91-F263 AromaticContact CH2-CE2 3.55Å; W91-F263 HydrophobicContact CH2-CE2 3.55Å; W91-F263 AromaticContact CH2-CZ 3.39Å; W91-F263 HydrophobicContact CH2-CZ 3.39Å; W91-F263 HydrophobicContact CZ2-CZ 4.3Å; W91-F263 HydrophobicContact CZ3-CD2 4.49Å; W91-F263 AromaticContact CZ3-CE2 3.68Å; W91-F263 HydrophobicContact CZ3-CE2 3.68Å; W91-F263 HydrophobicContact CZ3-CZ 4Å; Y139-F263 HydrophobicContact CD1-CD2 4.3Å; Y139-F263 HydrophobicContact CE1-CB 4.35Å; Y139-F263 AromaticContact CE1-CD2 3.53Å; Y139-F263 HydrophobicContact CE1-CD2 3.53Å; Y139-F263 HydrophobicContact CE1-CE2 4.29Å; Y139-F263 HydrophobicContact CE1-CG 4.41Å; Y139-F263 HydrophobicContact CE2-CB 4.19Å; Y139-F263 AromaticContact CZ-CD2 3.82Å; Y139-F263 WeakPolarHBondContact OH-CB 3.42Å; F259-F263 WeakPolarHBondContact O-CD1 3.45Å; F259-F263 PolarHBondContact O-N 2.87Å; L260-F263 HydrophobicContact CD2-CD2 3.97Å; L260-F263 WeakPolarHBondContact O-CA 3.48Å; L260-F263 WeakPolarHBondContact O-CB 3.28Å; L260-F263 PolarHBondContact O-N 3.48Å; A261-F263 VanDerWaalsContact C-N 3.25Å; A261-F263 PolarHBondContact O-N 3.26Å; F263-A265 VanDerWaalsContact C-N 3.25Å; F263-A265 PolarHBondContact O-N 3.45Å; F263-V266 WeakPolarHBondContact O-CB 3.38Å; F263-V266 PolarHBondContact O-N 3.32Å; F263-D267 PolarHBondContact O-N 3.16Å; F263-N307 VanDerWaalsContact CZ-O 3.27Å; F263-N307 WeakPolarHBondContact CZ-O 3.38Å; F263-F310 HydrophobicContact CE1-CE1 4.36Å; F263-F310 AromaticContact CE2-CE1 3.92Å; F263-F310 HydrophobicContact CE2-CE1 3.92Å; F263-F310 AromaticContact CE2-CZ 3.86Å; F263-F310 HydrophobicContact CE2-CZ 3.86Å; F263-F310 AromaticContact CZ-CE1 3.56Å; F263-F310 HydrophobicContact CZ-CE1 3.56Å; F263-F310 AromaticContact CZ-CZ 3.91Å; F263-F310 HydrophobicContact CZ-CZ 3.91Å; F263-K311 HydrophobicContact CD1-CB 4Å; F263-K311 HydrophobicContact CD1-CD 4.41Å; F263-K311 HydrophobicContact CD1-CG 3.67Å; F263-K311 HydrophobicContact CE1-CB 3.88Å; F263-K311 HydrophobicContact CE1-CG 4.09Å; F263-K311 HydrophobicContact CG-CD 4.4Å; F263-K311 HydrophobicContact CG-CG 4.13Å; F263-K311 WeakPolarHBondContact O-CE 3.39Å |
| 264 | Y | 84.6 | Confident | 83.8 | Confident | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.008 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.2 | -35.5 | 171.3 | -65.4 | -62.9 | 0 | 0 | 0 | 111.6 | Y139 G177 L180 N181 V218 L260 A261 V266 D267 L268 | Y139-Y264 HydrophobicContact CD2-CD1 4.37Å; Y139-Y264 AromaticContact CD2-CE1 3.68Å; Y139-Y264 HydrophobicContact CD2-CE1 3.68Å; Y139-Y264 AromaticContact CD2-CZ 3.86Å; Y139-Y264 HydrophobicContact CE2-CD1 4.28Å; Y139-Y264 HydrophobicContact CE2-CE1 4.04Å; G177-Y264 PolarHBondContact O-OH 3.34Å; L180-Y264 HydrophobicContact CD2-CD1 3.62Å; L180-Y264 HydrophobicContact CD2-CE1 3.68Å; L180-Y264 HydrophobicContact CD2-CG 4.37Å; L180-Y264 HydrophobicContact CG-CE1 4.3Å; N181-Y264 PolarHBondContact ND2-OH 3.02Å; N181-Y264 VanDerWaalsContact OD1-CE1 3.27Å; N181-Y264 WeakPolarHBondContact OD1-CE1 3.42Å; N181-Y264 PolarHBondContact OD1-OH 2.79Å; V218-Y264 VanDerWaalsContact O-CB 3.27Å; V218-Y264 WeakPolarHBondContact O-CB 2.89Å; L260-Y264 HydrophobicContact CB-CD2 4.43Å; L260-Y264 HydrophobicContact CB-CE2 4Å; L260-Y264 WeakPolarHBondContact O-CD2 3.25Å; L260-Y264 PolarHBondContact O-N 3.44Å; A261-Y264 PolarHBondContact O-N 3.45Å; Y264-V266 VanDerWaalsContact C-N 3.33Å; Y264-V266 PolarHBondContact O-N 3.31Å; Y264-D267 PolarHBondContact O-N 3.08Å; Y264-L268 WeakPolarHBondContact O-CB 3.33Å; Y264-L268 PolarHBondContact O-N 3.3Å |
| 265 | A | 84.1 | Confident | 83.6 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.2 | -40.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V218 I249 V252 I253 A261 R262 F263 F269 | V218-A265 HydrophobicContact CB-CB 3.98Å; V218-A265 HydrophobicContact CG1-CB 4.24Å; V218-A265 HydrophobicContact CG2-CB 3.66Å; I249-A265 HydrophobicContact CG2-CB 4.3Å; I249-A265 VanDerWaalsContact CG2-O 3.27Å; I249-A265 WeakPolarHBondContact CG2-O 3.23Å; V252-A265 HydrophobicContact CB-CB 4.03Å; V252-A265 HydrophobicContact CG1-CB 3.85Å; I253-A265 HydrophobicContact CD1-CB 4.36Å; I253-A265 HydrophobicContact CG1-CB 3.51Å; A261-A265 WeakPolarHBondContact O-CB 3.33Å; A261-A265 PolarHBondContact O-N 3.43Å; R262-A265 WeakPolarHBondContact O-CB 3.46Å; R262-A265 PolarHBondContact O-N 2.97Å; F263-A265 VanDerWaalsContact C-N 3.25Å; F263-A265 PolarHBondContact O-N 3.45Å; A265-F269 WeakPolarHBondContact O-CB 3.4Å; A265-F269 PolarHBondContact O-N 3.49Å |
| 266 | V | 90.5 | Very high | 83.6 | Confident | 3 Ų | 3 | 33.5 Ų | 33.5 | 2% | 0.018 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65 | -45.8 | 171.9 | 167.2 | 0 | 0 | 0 | 0 | 111.7 | I253 R262 F263 Y264 L268 F269 I270 K311 L315 | I253-V266 HydrophobicContact CD1-CG2 3.9Å; I253-V266 HydrophobicContact CG1-CG2 3.92Å; I253-V266 HydrophobicContact CG2-CG2 4.07Å; R262-V266 PolarHBondContact O-N 2.91Å; F263-V266 WeakPolarHBondContact O-CB 3.38Å; F263-V266 PolarHBondContact O-N 3.32Å; Y264-V266 VanDerWaalsContact C-N 3.33Å; Y264-V266 PolarHBondContact O-N 3.31Å; V266-L268 VanDerWaalsContact C-N 3.34Å; V266-L268 PolarHBondContact O-N 2.98Å; V266-F269 WeakPolarHBondContact O-CB 3.37Å; V266-F269 PolarHBondContact O-N 3.23Å; V266-I270 HydrophobicContact CG1-CD1 3.76Å; V266-I270 HydrophobicContact CG1-CG1 4.41Å; V266-I270 VanDerWaalsContact O-CG1 3.32Å; V266-I270 WeakPolarHBondContact O-CG1 3.2Å; V266-I270 PolarHBondContact O-N 3.29Å; V266-K311 HydrophobicContact CB-CD 4.28Å; V266-K311 HydrophobicContact CB-CG 3.85Å; V266-K311 HydrophobicContact CG1-CD 3.97Å; V266-K311 HydrophobicContact CG1-CG 3.87Å; V266-K311 HydrophobicContact CG2-CG 3.89Å; V266-L315 HydrophobicContact CG1-CB 3.71Å; V266-L315 HydrophobicContact CG1-CD1 4.11Å; V266-L315 HydrophobicContact CG1-CG 4.38Å; V266-L315 HydrophobicContact CG2-CB 4.48Å; V266-L315 HydrophobicContact CG2-CD2 4.33Å |
| 267 | D | 87.1 | Confident | 83.9 | Confident | 10 Ų | 10 | 42.9 Ų | 42.9 | 5% | 0.053 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.5 | -44.6 | 180 | -73.2 | -27.4 | 0 | 0 | 0 | 111.5 | Y139 R184 E221 F263 Y264 F269 I270 H271 K311 | Y139-D267 WeakPolarHBondContact CE2-OD2 3.48Å; Y139-D267 PolarHBondContact OH-OD2 3.33Å; R184-D267 IonicContact CZ-OD2 2.77Å; R184-D267 IonicContact NH1-OD2 2.71Å; R184-D267 PolarHBondContact NH1-OD2 3.26Å; R184-D267 IonicContact NH2-OD2 2.89Å; R184-D267 PolarHBondContact NH2-OD2 2.98Å; E221-D267 VanDerWaalsContact CD-CB 3.44Å; E221-D267 WeakPolarHBondContact OE1-CB 3.29Å; E221-D267 WeakPolarHBondContact OE2-CB 3.06Å; F263-D267 PolarHBondContact O-N 3.16Å; Y264-D267 PolarHBondContact O-N 3.08Å; D267-F269 PolarHBondContact O-N 3.3Å; D267-I270 PolarHBondContact O-N 2.65Å; D267-H271 WeakPolarHBondContact O-CB 3.36Å; D267-H271 PolarHBondContact O-N 3.45Å; D267-K311 VanDerWaalsContact CG-NZ 3.32Å; D267-K311 WeakPolarHBondContact OD1-CE 3.48Å; D267-K311 IonicContact OD1-NZ 2.75Å; D267-K311 PolarHBondContact OD1-NZ 3.24Å; D267-K311 IonicContact OD2-NZ 2.62Å |
| 268 | L | 81.8 | Confident | 84.4 | Confident | 4 Ų | 4 | 35.7 Ų | 35.7 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.1 | -44.8 | 173.7 | -179 | 65 | 0 | 0 | 0 | 112 | V218 V220 E221 I249 Y264 V266 I270 H271 L272 | V218-L268 HydrophobicContact CG1-CB 3.74Å; V218-L268 HydrophobicContact CG1-CD2 3.43Å; V218-L268 VanDerWaalsContact CG1-CD2 3.43Å; V218-L268 HydrophobicContact CG1-CG 4.23Å; V220-L268 HydrophobicContact CB-CD1 4.06Å; V220-L268 HydrophobicContact CB-CD2 3.65Å; V220-L268 HydrophobicContact CG1-CD1 3.59Å; V220-L268 HydrophobicContact CG1-CD2 3.86Å; V220-L268 HydrophobicContact CG1-CG 4.39Å; V220-L268 HydrophobicContact CG2-CD2 4.37Å; E221-L268 HydrophobicContact CG-CB 3.99Å; E221-L268 HydrophobicContact CG-CD1 4.15Å; I249-L268 HydrophobicContact CD1-CD2 3.52Å; I249-L268 HydrophobicContact CD1-CG 3.92Å; I249-L268 HydrophobicContact CG1-CD2 3.87Å; Y264-L268 WeakPolarHBondContact O-CB 3.33Å; Y264-L268 PolarHBondContact O-N 3.3Å; V266-L268 VanDerWaalsContact C-N 3.34Å; V266-L268 PolarHBondContact O-N 2.98Å; L268-I270 VanDerWaalsContact C-N 3.32Å; L268-I270 PolarHBondContact O-N 3.37Å; L268-H271 PolarHBondContact O-N 2.97Å; L268-L272 HydrophobicContact CD1-CD1 4.15Å; L268-L272 HydrophobicContact CD1-CD2 4.18Å; L268-L272 HydrophobicContact CD1-CG 3.86Å; L268-L272 HydrophobicContact CD2-CD1 4.36Å; L268-L272 HydrophobicContact CG-CD1 3.92Å; L268-L272 HydrophobicContact CG-CG 4.03Å; L268-L272 WeakPolarHBondContact O-CB 3.26Å; L268-L272 VanDerWaalsContact O-CG 3.31Å; L268-L272 WeakPolarHBondContact O-CG 3.32Å; L268-L272 PolarHBondContact O-N 2.93Å |
| 269 | F | 88.4 | Confident | 84.8 | Confident | 3 Ų | 3 | 34 Ų | 34 | 1% | 0.013 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -55.7 | -51.1 | 177.8 | -170.6 | -74.3 | 0 | 0 | 0 | 110.3 | F246 I249 V250 I253 A265 V266 D267 H271 L272 I273 L292 L295 L315 F329 | F246-F269 AromaticContact CD1-CD2 3.73Å; F246-F269 HydrophobicContact CD1-CD2 3.73Å; F246-F269 AromaticContact CD1-CE2 3.52Å; F246-F269 HydrophobicContact CD1-CE2 3.52Å; F246-F269 HydrophobicContact CD1-CZ 4.23Å; F246-F269 AromaticContact CE1-CD2 3.78Å; F246-F269 HydrophobicContact CE1-CD2 3.78Å; F246-F269 HydrophobicContact CE1-CE1 4.5Å; F246-F269 AromaticContact CE1-CE2 3.73Å; F246-F269 HydrophobicContact CE1-CE2 3.73Å; F246-F269 HydrophobicContact CE1-CG 4.21Å; F246-F269 HydrophobicContact CE1-CZ 4.11Å; I249-F269 HydrophobicContact CG2-CB 3.95Å; I249-F269 HydrophobicContact CG2-CD2 3.97Å; I249-F269 HydrophobicContact CG2-CG 4.48Å; V250-F269 HydrophobicContact CG2-CE2 4.19Å; I253-F269 HydrophobicContact CD1-CB 4.49Å; A265-F269 WeakPolarHBondContact O-CB 3.4Å; A265-F269 PolarHBondContact O-N 3.49Å; V266-F269 WeakPolarHBondContact O-CB 3.37Å; V266-F269 PolarHBondContact O-N 3.23Å; D267-F269 PolarHBondContact O-N 3.3Å; F269-H271 VanDerWaalsContact C-N 3.28Å; F269-H271 PolarHBondContact O-N 3.28Å; F269-L272 PolarHBondContact O-N 3.26Å; F269-I273 HydrophobicContact CD1-CD1 4.18Å; F269-I273 HydrophobicContact CD1-CG2 4.09Å; F269-I273 HydrophobicContact CE1-CD1 4.1Å; F269-I273 HydrophobicContact CE1-CG2 3.81Å; F269-I273 HydrophobicContact CZ-CG2 4.43Å; F269-I273 WeakPolarHBondContact O-CG1 3.47Å; F269-I273 WeakPolarHBondContact O-CG2 3.32Å; F269-I273 PolarHBondContact O-N 2.9Å; F269-I273 VanDerWaalsContact O-N 3.14Å; F269-L292 HydrophobicContact CZ-CD2 4.15Å; F269-L295 HydrophobicContact CE2-CD1 3.94Å; F269-L295 HydrophobicContact CZ-CD1 4.1Å; F269-L315 HydrophobicContact CB-CD1 3.99Å; F269-L315 HydrophobicContact CD1-CD1 3.42Å; F269-L315 VanDerWaalsContact CD1-CD1 3.42Å; F269-L315 HydrophobicContact CE1-CD1 4.06Å; F269-L315 HydrophobicContact CG-CD1 3.83Å; F269-F329 AromaticContact CE1-CE2 3.96Å; F269-F329 HydrophobicContact CE1-CE2 3.96Å; F269-F329 AromaticContact CE1-CZ 3.99Å; F269-F329 HydrophobicContact CE1-CZ 3.99Å; F269-F329 HydrophobicContact CZ-CE2 4.31Å; F269-F329 HydrophobicContact CZ-CZ 4.18Å |
| 270 | I | 88.8 | Confident | 85.1 | Confident | 25 Ų | 25 | 36.8 Ų | 36.8 | 13% | 0.128 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.1 | -41.9 | 178.7 | -64.8 | 164.2 | 0 | 0 | 0 | 110.5 | V266 D267 L268 I273 S274 Q314 L315 M318 | V266-I270 HydrophobicContact CG1-CD1 3.76Å; V266-I270 HydrophobicContact CG1-CG1 4.41Å; V266-I270 VanDerWaalsContact O-CG1 3.32Å; V266-I270 WeakPolarHBondContact O-CG1 3.2Å; V266-I270 PolarHBondContact O-N 3.29Å; D267-I270 PolarHBondContact O-N 2.65Å; L268-I270 VanDerWaalsContact C-N 3.32Å; L268-I270 PolarHBondContact O-N 3.37Å; I270-I273 WeakPolarHBondContact O-CG1 3.49Å; I270-S274 PolarHBondContact O-N 2.97Å; I270-S274 PolarHBondContact O-OG 3.27Å; I270-Q314 HydrophobicContact CD1-CG 4.43Å; I270-L315 HydrophobicContact CG1-CD1 3.92Å; I270-M318 HydrophobicContact CD1-CB 3.91Å; I270-M318 HydrophobicContact CD1-CG 4.17Å; I270-M318 HydrophobicContact CG1-CB 4.07Å; I270-M318 HydrophobicContact CG2-CB 3.77Å |
| 271 | H | 82.1 | Confident | 85.1 | Confident | 71 Ų | 71 | 39.5 Ų | 39.5 | 33% | 0.329 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -66.8 | -47.4 | -179.5 | -166.9 | 83.3 | 0 | 0 | 0 | 112.4 | N224 D267 L268 F269 I273 S274 | N224-H271 PolarHBondContact ND2-CD2 3.36Å; N224-H271 PolarHBondContact ND2-NE2 2.75Å; D267-H271 WeakPolarHBondContact O-CB 3.36Å; D267-H271 PolarHBondContact O-N 3.45Å; L268-H271 PolarHBondContact O-N 2.97Å; F269-H271 VanDerWaalsContact C-N 3.28Å; F269-H271 PolarHBondContact O-N 3.28Å; H271-I273 PolarHBondContact O-N 3.16Å; H271-S274 WeakPolarHBondContact O-CB 3.49Å; H271-S274 PolarHBondContact O-N 3.04Å; H271-S274 VanDerWaalsContact O-N 3.15Å |
| 272 | L | 82.6 | Confident | 85.4 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.3 | -43.3 | -179.9 | -71.1 | -179.6 | 0 | 0 | 0 | 112.1 | F233 T245 F246 I249 L268 F269 S274 E275 V278 | F233-L272 HydrophobicContact CD2-CD2 4.06Å; F233-L272 HydrophobicContact CE2-CD2 3.58Å; T245-L272 HydrophobicContact CG2-CD1 4.26Å; F246-L272 HydrophobicContact CE1-CB 4.42Å; F246-L272 HydrophobicContact CE2-CD1 4.48Å; F246-L272 HydrophobicContact CZ-CB 3.78Å; F246-L272 HydrophobicContact CZ-CD1 4.18Å; I249-L272 HydrophobicContact CD1-CD1 3.44Å; I249-L272 VanDerWaalsContact CD1-CD1 3.44Å; L268-L272 HydrophobicContact CD1-CD1 4.15Å; L268-L272 HydrophobicContact CD1-CD2 4.18Å; L268-L272 HydrophobicContact CD1-CG 3.86Å; L268-L272 HydrophobicContact CD2-CD1 4.36Å; L268-L272 HydrophobicContact CG-CD1 3.92Å; L268-L272 HydrophobicContact CG-CG 4.03Å; L268-L272 WeakPolarHBondContact O-CB 3.26Å; L268-L272 VanDerWaalsContact O-CG 3.31Å; L268-L272 WeakPolarHBondContact O-CG 3.32Å; L268-L272 PolarHBondContact O-N 2.93Å; F269-L272 PolarHBondContact O-N 3.26Å; L272-S274 PolarHBondContact O-N 3Å; L272-E275 PolarHBondContact O-N 3.32Å; L272-V278 HydrophobicContact CB-CG1 4.28Å; L272-V278 WeakPolarHBondContact O-CB 3.37Å; L272-V278 WeakPolarHBondContact O-CG1 3.29Å |
| 273 | I | 86.5 | Confident | 85.4 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -71.1 | -20.8 | 178.7 | 65.5 | 173.7 | 0 | 0 | 0 | 113.1 | F246 F269 I270 H271 E275 L282 S319 V322 I325 | F246-I273 HydrophobicContact CE1-CG2 3.92Å; F246-I273 HydrophobicContact CZ-CG2 3.9Å; F269-I273 HydrophobicContact CD1-CD1 4.18Å; F269-I273 HydrophobicContact CD1-CG2 4.09Å; F269-I273 HydrophobicContact CE1-CD1 4.1Å; F269-I273 HydrophobicContact CE1-CG2 3.81Å; F269-I273 HydrophobicContact CZ-CG2 4.43Å; F269-I273 WeakPolarHBondContact O-CG1 3.47Å; F269-I273 WeakPolarHBondContact O-CG2 3.32Å; F269-I273 PolarHBondContact O-N 2.9Å; F269-I273 VanDerWaalsContact O-N 3.14Å; I270-I273 WeakPolarHBondContact O-CG1 3.49Å; H271-I273 PolarHBondContact O-N 3.16Å; I273-E275 PolarHBondContact O-N 2.66Å; I273-L282 HydrophobicContact CG2-CD2 3.82Å; I273-S319 WeakPolarHBondContact CD1-OG 3.32Å; I273-V322 HydrophobicContact CD1-CG2 4.33Å; I273-V322 HydrophobicContact CG1-CG2 4.27Å; I273-I325 HydrophobicContact CD1-CG2 4.14Å |
| 274 | S | 84.6 | Confident | 85.3 | Confident | 73 Ų | 73 | 43.7 Ų | 43.7 | 51% | 0.51 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -69.8 | -22.2 | 176 | -61.3 | 0 | 0 | 0 | 0 | 111.4 | I270 H271 L272 | I270-S274 PolarHBondContact O-N 2.97Å; I270-S274 PolarHBondContact O-OG 3.27Å; H271-S274 WeakPolarHBondContact O-CB 3.49Å; H271-S274 PolarHBondContact O-N 3.04Å; H271-S274 VanDerWaalsContact O-N 3.15Å; L272-S274 PolarHBondContact O-N 3Å |
| 275 | E | 83 | Confident | 85.4 | Confident | 82 Ų | 82 | 44.6 Ų | 44.6 | 38% | 0.383 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -77.4 | 124.5 | 174.3 | -178.8 | 54.6 | -145.8 | 0 | 0 | 111 | F233 L272 I273 R277 V278 C279 | F233-E275 HydrophobicContact CE1-CG 4.33Å; F233-E275 HydrophobicContact CZ-CB 4.05Å; F233-E275 HydrophobicContact CZ-CG 3.91Å; L272-E275 PolarHBondContact O-N 3.32Å; I273-E275 PolarHBondContact O-N 2.66Å; E275-R277 VanDerWaalsContact C-N 3.35Å; E275-R277 PolarHBondContact O-N 3.19Å; E275-V278 HydrophobicContact CB-CB 4.27Å; E275-V278 HydrophobicContact CB-CG2 4.27Å; E275-V278 HydrophobicContact CG-CG2 4.23Å; E275-V278 PolarHBondContact O-N 3.07Å; E275-C279 WeakPolarHBondContact O-CB 3.23Å; E275-C279 PolarHBondContact O-N 3.27Å |
| 276 | T | 84.8 | Confident | 85.5 | Confident | 91 Ų | 91 | 48.2 Ų | 48.2 | 56% | 0.558 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -60.1 | -43.3 | -170.5 | -57.4 | 0 | 0 | 0 | 0 | 111.9 | C279 H280 | T276-C279 PolarHBondContact O-N 3.01Å; T276-H280 VanDerWaalsContact CG2-CE1 3.46Å; T276-H280 WeakPolarHBondContact CG2-CE1 3.48Å; T276-H280 PolarHBondContact O-N 3.1Å; T276-H280 VanDerWaalsContact O-N 3.17Å; T276-H280 PolarHBondContact O-ND1 2.69Å |
| 277 | R | 83.2 | Confident | 85.3 | Confident | 199 Ų | 199 | 50.5 Ų | 50.5 | 75% | 0.751 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -64.7 | -45.7 | -178.5 | -66.3 | -177.6 | -176.1 | 176.1 | 3.5 | 112.3 | E275 C279 H280 Q281 | E275-R277 VanDerWaalsContact C-N 3.35Å; E275-R277 PolarHBondContact O-N 3.19Å; R277-C279 VanDerWaalsContact C-N 3.34Å; R277-H280 PolarHBondContact O-N 3.27Å; R277-Q281 WeakPolarHBondContact O-CG 3.26Å; R277-Q281 PolarHBondContact O-N 3.39Å |
| 278 | V | 82.2 | Confident | 85.4 | Confident | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.012 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.5 | -45 | 178.3 | 168.2 | 0 | 0 | 0 | 0 | 110.6 | F233 L242 F246 L272 E275 H280 Q281 L282 | F233-V278 HydrophobicContact CZ-CG2 4.2Å; L242-V278 HydrophobicContact CD1-CG1 3.88Å; L242-V278 HydrophobicContact CD2-CG1 4.25Å; F246-V278 HydrophobicContact CE2-CG1 3.84Å; F246-V278 HydrophobicContact CZ-CG1 4.03Å; L272-V278 HydrophobicContact CB-CG1 4.28Å; L272-V278 WeakPolarHBondContact O-CB 3.37Å; L272-V278 WeakPolarHBondContact O-CG1 3.29Å; E275-V278 HydrophobicContact CB-CB 4.27Å; E275-V278 HydrophobicContact CB-CG2 4.27Å; E275-V278 HydrophobicContact CG-CG2 4.23Å; E275-V278 PolarHBondContact O-N 3.07Å; V278-H280 PolarHBondContact O-N 2.99Å; V278-Q281 PolarHBondContact O-N 2.9Å; V278-L282 WeakPolarHBondContact O-CB 3.37Å; V278-L282 PolarHBondContact O-N 2.85Å |
| 279 | C | 85.9 | Confident | 85.8 | Confident | 7 Ų | 7 | 53.9 Ų | 53.9 | 5% | 0.047 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57 | -49.4 | 177.8 | 179.5 | 0 | 0 | 0 | 0 | 112.3 | E275 T276 R277 Q281 L282 L283 V322 I325 | E275-C279 WeakPolarHBondContact O-CB 3.23Å; E275-C279 PolarHBondContact O-N 3.27Å; T276-C279 PolarHBondContact O-N 3.01Å; R277-C279 VanDerWaalsContact C-N 3.34Å; C279-Q281 VanDerWaalsContact C-N 3.29Å; C279-Q281 PolarHBondContact O-N 3.47Å; C279-L282 PolarHBondContact O-N 3.48Å; C279-L283 WeakPolarHBondContact O-CB 3.29Å; C279-L283 VanDerWaalsContact O-CG 3.28Å; C279-L283 WeakPolarHBondContact O-CG 3.21Å; C279-L283 PolarHBondContact O-N 3.42Å; C279-V322 HydrophobicContact CB-CG1 4.38Å; C279-V322 VanDerWaalsContact SG-CG1 3.51Å; C279-I325 VanDerWaalsContact SG-CG1 3.55Å |
| 280 | H | 85.6 | Confident | 85.8 | Confident | 127 Ų | 127 | 59 Ų | 59 | 59% | 0.588 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -60.6 | -38.8 | 179.7 | -75.6 | 83.4 | 0 | 0 | 0 | 112.6 | T276 R277 V278 A284 | T276-H280 VanDerWaalsContact CG2-CE1 3.46Å; T276-H280 WeakPolarHBondContact CG2-CE1 3.48Å; T276-H280 PolarHBondContact O-N 3.1Å; T276-H280 VanDerWaalsContact O-N 3.17Å; T276-H280 PolarHBondContact O-ND1 2.69Å; R277-H280 PolarHBondContact O-N 3.27Å; V278-H280 PolarHBondContact O-N 2.99Å; H280-A284 PolarHBondContact O-N 3.34Å |
| 281 | Q | 84.2 | Confident | 86 | Confident | 65 Ų | 65 | 58.9 Ų | 58.9 | 30% | 0.304 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -72.3 | -41 | 178.3 | -69.4 | 177.3 | -13.3 | 0 | 0 | 112.3 | D239 L242 R277 V278 C279 L283 A284 S285 | D239-Q281 VanDerWaalsContact CG-NE2 3.34Å; D239-Q281 PolarHBondContact OD1-NE2 2.94Å; L242-Q281 HydrophobicContact CD2-CB 3.57Å; R277-Q281 WeakPolarHBondContact O-CG 3.26Å; R277-Q281 PolarHBondContact O-N 3.39Å; V278-Q281 PolarHBondContact O-N 2.9Å; C279-Q281 VanDerWaalsContact C-N 3.29Å; C279-Q281 PolarHBondContact O-N 3.47Å; Q281-L283 VanDerWaalsContact C-N 3.34Å; Q281-L283 PolarHBondContact O-N 3.2Å; Q281-A284 WeakPolarHBondContact O-CB 3.49Å; Q281-A284 PolarHBondContact O-N 3.06Å; Q281-S285 PolarHBondContact O-N 2.77Å |
| 282 | L | 86.6 | Confident | 86.5 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.5 | -42.8 | 176.2 | -176.6 | 64.2 | 0 | 0 | 0 | 111.1 | I243 F246 I273 V278 C279 A284 S285 L288 I325 | I243-L282 HydrophobicContact CD1-CD1 4.34Å; F246-L282 HydrophobicContact CB-CD1 4.41Å; F246-L282 HydrophobicContact CD1-CD1 4.38Å; F246-L282 HydrophobicContact CD1-CD2 4.23Å; F246-L282 HydrophobicContact CD2-CD1 3.68Å; F246-L282 HydrophobicContact CD2-CD2 4.35Å; F246-L282 HydrophobicContact CE1-CD2 3.8Å; F246-L282 HydrophobicContact CE2-CB 4.49Å; F246-L282 HydrophobicContact CE2-CD1 3.99Å; F246-L282 HydrophobicContact CE2-CD2 3.92Å; F246-L282 HydrophobicContact CE2-CG 4.35Å; F246-L282 HydrophobicContact CG-CD1 3.9Å; F246-L282 HydrophobicContact CG-CD2 4.5Å; F246-L282 HydrophobicContact CZ-CD1 4.48Å; F246-L282 HydrophobicContact CZ-CD2 3.64Å; I273-L282 HydrophobicContact CG2-CD2 3.82Å; V278-L282 WeakPolarHBondContact O-CB 3.37Å; V278-L282 PolarHBondContact O-N 2.85Å; C279-L282 PolarHBondContact O-N 3.48Å; L282-A284 VanDerWaalsContact C-N 3.25Å; L282-A284 PolarHBondContact O-N 3.44Å; L282-S285 WeakPolarHBondContact O-CB 3.43Å; L282-S285 PolarHBondContact O-N 3.46Å; L282-L288 HydrophobicContact CD1-CD1 3.99Å; L282-L288 HydrophobicContact CD2-CD1 4.03Å; L282-L288 HydrophobicContact CG-CD1 3.82Å; L282-L288 HydrophobicContact CG-CD2 4.32Å; L282-I325 HydrophobicContact CD2-CD1 3.99Å |
| 283 | L | 88.5 | Confident | 87 | Confident | 64 Ų | 64 | 56.6 Ų | 56.6 | 34% | 0.335 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.1 | -26.7 | 175.8 | -72.5 | 170.9 | 0 | 0 | 0 | 113.3 | C279 Q281 S285 L288 G324 I325 A328 | C279-L283 WeakPolarHBondContact O-CB 3.29Å; C279-L283 VanDerWaalsContact O-CG 3.28Å; C279-L283 WeakPolarHBondContact O-CG 3.21Å; C279-L283 PolarHBondContact O-N 3.42Å; Q281-L283 VanDerWaalsContact C-N 3.34Å; Q281-L283 PolarHBondContact O-N 3.2Å; L283-S285 PolarHBondContact O-N 2.88Å; L283-L288 HydrophobicContact CD2-CD2 3.9Å; L283-G324 VanDerWaalsContact CD2-C 3.5Å; L283-G324 WeakPolarHBondContact CD2-O 3.36Å; L283-I325 HydrophobicContact CD2-CD1 3.73Å; L283-I325 HydrophobicContact CD2-CG1 4.25Å; L283-I325 HydrophobicContact CG-CD1 3.92Å; L283-I325 HydrophobicContact CG-CG1 4.39Å; L283-A328 HydrophobicContact CD2-CB 4.41Å |
| 284 | A | 86.9 | Confident | 87.2 | Confident | 88 Ų | 88 | 59.9 Ų | 59.9 | 73% | 0.727 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -9.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | H280 Q281 L282 | H280-A284 PolarHBondContact O-N 3.34Å; Q281-A284 WeakPolarHBondContact O-CB 3.49Å; Q281-A284 PolarHBondContact O-N 3.06Å; L282-A284 VanDerWaalsContact C-N 3.25Å; L282-A284 PolarHBondContact O-N 3.44Å |
| 285 | S | 86.3 | Confident | 87.7 | Confident | 21 Ų | 21 | 56.6 Ų | 56.6 | 15% | 0.147 | 31% | 0.314 | C | S | . | . | trans | -79.8 | 131.8 | -178.1 | -169.8 | 0 | 0 | 0 | 0 | 113 | I243 Q281 L282 L283 L287 L288 | I243-S285 VanDerWaalsContact CD1-CB 3.47Å; I243-S285 VanDerWaalsContact CD1-OG 3.22Å; I243-S285 WeakPolarHBondContact CD1-OG 3.46Å; Q281-S285 PolarHBondContact O-N 2.77Å; L282-S285 WeakPolarHBondContact O-CB 3.43Å; L282-S285 PolarHBondContact O-N 3.46Å; L283-S285 PolarHBondContact O-N 2.88Å; S285-L287 PolarHBondContact O-N 3.48Å; S285-L287 PolarHBondContact OG-N 3.38Å; S285-L288 PolarHBondContact O-N 3.14Å | ||
| 286 | S | 85.6 | Confident | 88.3 | Confident | 76 Ų | 76 | 52.7 Ų | 52.7 | 53% | 0.531 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -20.4 | 170.4 | 53.2 | 0 | 0 | 0 | 0 | 113.6 | P289 | S286-P289 WeakPolarHBondContact O-CD 3.31Š|
| 287 | L | 85.9 | Confident | 88.6 | Confident | 50 Ų | 50 | 49.7 Ų | 49.7 | 26% | 0.262 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -12 | -176.2 | -68.4 | 165.1 | 0 | 0 | 0 | 113.6 | I243 S285 D290 L291 | I243-L287 HydrophobicContact CG2-CD1 3.73Å; S285-L287 PolarHBondContact O-N 3.48Å; S285-L287 PolarHBondContact OG-N 3.38Å; L287-D290 PolarHBondContact O-N 2.92Å; L287-L291 WeakPolarHBondContact O-CG 3.23Å; L287-L291 PolarHBondContact O-N 3.24Å; L287-L291 VanDerWaalsContact O-N 3.12Å |
| 288 | L | 89.7 | Confident | 89.1 | Confident | 8 Ų | 8 | 40.7 Ų | 40.7 | 4% | 0.042 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -56.4 | -47.2 | -179.5 | 175.9 | 64.2 | 0 | 0 | 0 | 112.4 | L282 L283 S285 D290 L291 L292 I325 A328 | L282-L288 HydrophobicContact CD1-CD1 3.99Å; L282-L288 HydrophobicContact CD2-CD1 4.03Å; L282-L288 HydrophobicContact CG-CD1 3.82Å; L282-L288 HydrophobicContact CG-CD2 4.32Å; L283-L288 HydrophobicContact CD2-CD2 3.9Å; S285-L288 PolarHBondContact O-N 3.14Å; L288-D290 VanDerWaalsContact C-N 3.29Å; L288-D290 PolarHBondContact O-N 2.83Å; L288-L291 PolarHBondContact O-N 3.12Å; L288-L292 HydrophobicContact CD1-CD1 3.88Å; L288-L292 HydrophobicContact CD1-CD2 3.96Å; L288-L292 HydrophobicContact CD1-CG 3.7Å; L288-L292 HydrophobicContact CG-CD1 3.96Å; L288-L292 HydrophobicContact CG-CG 4.13Å; L288-L292 VanDerWaalsContact O-CG 3.31Å; L288-L292 WeakPolarHBondContact O-CG 2.99Å; L288-L292 PolarHBondContact O-N 3.1Å; L288-I325 HydrophobicContact CD2-CD1 4.45Å; L288-A328 HydrophobicContact CD2-CB 4.04Å |
| 289 | P | 89.6 | Confident | 89.6 | Confident | 78 Ų | 78 | 40.8 Ų | 40.8 | 51% | 0.506 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -57.1 | -40.3 | 179.6 | -25.2 | 35.8 | 0 | 0 | 0 | 113.4 | S286 L292 G293 | S286-P289 WeakPolarHBondContact O-CD 3.31Å; P289-L292 PolarHBondContact O-N 2.88Å; P289-G293 PolarHBondContact O-N 2.89Å |
| 290 | D | 89.6 | Confident | 89.9 | Confident | 111 Ų | 111 | 41 Ų | 41 | 59% | 0.594 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -67.8 | -43.8 | 179 | -66.4 | -28.3 | 0 | 0 | 0 | 111.4 | L287 L288 L292 G293 V294 | L287-D290 PolarHBondContact O-N 2.92Å; L288-D290 VanDerWaalsContact C-N 3.29Å; L288-D290 PolarHBondContact O-N 2.83Å; D290-L292 VanDerWaalsContact C-N 3.34Å; D290-L292 PolarHBondContact O-N 2.65Å; D290-G293 PolarHBondContact O-N 3.35Å; D290-V294 WeakPolarHBondContact O-CG2 3.39Å; D290-V294 PolarHBondContact O-N 3.41Å |
| 291 | L | 91.7 | Very high | 90.1 | Very high | 21 Ų | 21 | 38.2 Ų | 38.2 | 11% | 0.11 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.2 | -45.4 | 175.4 | -71.5 | 170.9 | 0 | 0 | 0 | 111.5 | F246 K247 V250 L287 L288 V294 L295 | F246-L291 HydrophobicContact CB-CD1 4.27Å; K247-L291 HydrophobicContact CG-CD2 3.95Å; V250-L291 HydrophobicContact CB-CD2 4.15Å; V250-L291 HydrophobicContact CG1-CD2 4.31Å; V250-L291 HydrophobicContact CG2-CB 4.42Å; V250-L291 HydrophobicContact CG2-CD2 4.09Å; L287-L291 WeakPolarHBondContact O-CG 3.23Å; L287-L291 PolarHBondContact O-N 3.24Å; L287-L291 VanDerWaalsContact O-N 3.12Å; L288-L291 PolarHBondContact O-N 3.12Å; L291-V294 PolarHBondContact O-N 3.4Å; L291-L295 WeakPolarHBondContact O-CG 3.18Å; L291-L295 PolarHBondContact O-N 3.12Å; L291-L295 VanDerWaalsContact O-N 3.12Å |
| 292 | L | 94.4 | Very high | 90.4 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -69 | -35.3 | 177.8 | -62 | -172.3 | 0 | 0 | 0 | 112 | F269 L288 P289 D290 V294 L295 C296 A328 F329 A332 | F269-L292 HydrophobicContact CZ-CD2 4.15Å; L288-L292 HydrophobicContact CD1-CD1 3.88Å; L288-L292 HydrophobicContact CD1-CD2 3.96Å; L288-L292 HydrophobicContact CD1-CG 3.7Å; L288-L292 HydrophobicContact CG-CD1 3.96Å; L288-L292 HydrophobicContact CG-CG 4.13Å; L288-L292 VanDerWaalsContact O-CG 3.31Å; L288-L292 WeakPolarHBondContact O-CG 2.99Å; L288-L292 PolarHBondContact O-N 3.1Å; P289-L292 PolarHBondContact O-N 2.88Å; D290-L292 VanDerWaalsContact C-N 3.34Å; D290-L292 PolarHBondContact O-N 2.65Å; L292-V294 VanDerWaalsContact C-N 3.33Å; L292-V294 PolarHBondContact O-N 3.42Å; L292-L295 HydrophobicContact CD2-CD1 4.09Å; L292-L295 PolarHBondContact O-N 3.14Å; L292-C296 WeakPolarHBondContact O-CB 3.4Å; L292-C296 PolarHBondContact O-N 3.4Å; L292-C296 PolarHBondContact O-SG 3.27Å; L292-A328 HydrophobicContact CD1-CB 3.61Å; L292-F329 HydrophobicContact CD1-CD2 4.08Å; L292-F329 HydrophobicContact CD1-CE2 4.47Å; L292-F329 HydrophobicContact CD1-CG 4.12Å; L292-F329 HydrophobicContact CD2-CD1 4.11Å; L292-F329 HydrophobicContact CD2-CD2 4Å; L292-F329 HydrophobicContact CD2-CE1 3.7Å; L292-F329 HydrophobicContact CD2-CE2 3.56Å; L292-F329 HydrophobicContact CD2-CG 4.27Å; L292-F329 HydrophobicContact CD2-CZ 3.42Å; L292-F329 VanDerWaalsContact CD2-CZ 3.42Å; L292-A332 HydrophobicContact CB-CB 3.55Å; L292-A332 HydrophobicContact CD1-CB 4.47Å |
| 293 | G | 91.7 | Very high | 90.2 | Very high | 24 Ų | 24 | 38.7 Ų | 38.7 | 25% | 0.247 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.1 | -43.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | P289 D290 C296 S297 | P289-G293 PolarHBondContact O-N 2.89Å; D290-G293 PolarHBondContact O-N 3.35Å; G293-C296 PolarHBondContact O-N 3.25Å; G293-S297 PolarHBondContact O-N 3.48Å |
| 294 | V | 91.6 | Very high | 90.1 | Very high | 69 Ų | 69 | 39 Ų | 39 | 42% | 0.418 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.3 | -43.8 | 173.7 | 173.8 | 0 | 0 | 0 | 0 | 111.2 | V250 C254 D290 L291 L292 C296 S297 | V250-V294 HydrophobicContact CG1-CB 4.4Å; V250-V294 HydrophobicContact CG1-CG1 4.04Å; C254-V294 VanDerWaalsContact SG-CG1 3.57Å; D290-V294 WeakPolarHBondContact O-CG2 3.39Å; D290-V294 PolarHBondContact O-N 3.41Å; L291-V294 PolarHBondContact O-N 3.4Å; L292-V294 VanDerWaalsContact C-N 3.33Å; L292-V294 PolarHBondContact O-N 3.42Å; V294-C296 PolarHBondContact O-N 3.32Å; V294-S297 WeakPolarHBondContact O-CB 3.31Å; V294-S297 PolarHBondContact O-N 3.5Å; V294-S297 PolarHBondContact O-OG 3.31Å |
| 295 | L | 95 | Very high | 90.2 | Very high | 3 Ų | 3 | 39.4 Ų | 39.4 | 2% | 0.016 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.7 | -40.3 | 175.9 | -69.2 | 172.9 | 0 | 0 | 0 | 112.3 | V250 I253 F269 L291 L292 S297 L298 L315 F329 | V250-L295 HydrophobicContact CG1-CD2 4.1Å; V250-L295 HydrophobicContact CG1-CG 4.18Å; V250-L295 HydrophobicContact CG2-CD1 4.01Å; V250-L295 HydrophobicContact CG2-CD2 4.21Å; V250-L295 HydrophobicContact CG2-CG 4.12Å; I253-L295 HydrophobicContact CB-CD2 4.32Å; I253-L295 HydrophobicContact CD1-CD2 4.05Å; I253-L295 HydrophobicContact CG2-CD2 3.96Å; F269-L295 HydrophobicContact CE2-CD1 3.94Å; F269-L295 HydrophobicContact CZ-CD1 4.1Å; L291-L295 WeakPolarHBondContact O-CG 3.18Å; L291-L295 PolarHBondContact O-N 3.12Å; L291-L295 VanDerWaalsContact O-N 3.12Å; L292-L295 HydrophobicContact CD2-CD1 4.09Å; L292-L295 PolarHBondContact O-N 3.14Å; L295-S297 VanDerWaalsContact C-N 3.26Å; L295-S297 PolarHBondContact O-N 2.83Å; L295-L298 HydrophobicContact CD2-CD1 4.08Å; L295-L298 WeakPolarHBondContact O-CB 3.46Å; L295-L298 WeakPolarHBondContact O-CG 3.47Å; L295-L298 PolarHBondContact O-N 2.98Å; L295-L298 VanDerWaalsContact O-N 3.07Å; L295-L315 HydrophobicContact CD1-CD2 4.03Å; L295-L315 HydrophobicContact CD2-CD2 4.03Å; L295-L315 HydrophobicContact CG-CD2 4.49Å; L295-F329 HydrophobicContact CD1-CE1 4.29Å; L295-F329 HydrophobicContact CD1-CZ 4.13Å |
| 296 | C | 94.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.7 | -35.1 | 176.1 | -69.5 | 0 | 0 | 0 | 0 | 111.6 | L292 G293 V294 L298 F299 L333 A336 P347 | L292-C296 WeakPolarHBondContact O-CB 3.4Å; L292-C296 PolarHBondContact O-N 3.4Å; L292-C296 PolarHBondContact O-SG 3.27Å; G293-C296 PolarHBondContact O-N 3.25Å; V294-C296 PolarHBondContact O-N 3.32Å; C296-L298 PolarHBondContact O-N 3.31Å; C296-L298 VanDerWaalsContact O-N 3.08Å; C296-F299 VanDerWaalsContact O-CD2 3.31Å; C296-F299 WeakPolarHBondContact O-CD2 3.39Å; C296-F299 PolarHBondContact O-N 3.06Å; C296-F299 VanDerWaalsContact O-N 3.11Å; C296-L333 HydrophobicContact CB-CD1 3.81Å; C296-A336 HydrophobicContact CB-CB 4.34Å; C296-P347 HydrophobicContact CB-CB 4.27Å; C296-P347 WeakPolarHBondContact O-CB 3.39Å |
| 297 | S | 91.8 | Very high | 90.5 | Very high | 29 Ų | 29 | 38.4 Ų | 38.4 | 20% | 0.203 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.6 | -19.2 | 175.4 | 84.8 | 0 | 0 | 0 | 0 | 113.9 | G293 V294 L295 F299 V300 S301 | G293-S297 PolarHBondContact O-N 3.48Å; V294-S297 WeakPolarHBondContact O-CB 3.31Å; V294-S297 PolarHBondContact O-N 3.5Å; V294-S297 PolarHBondContact O-OG 3.31Å; L295-S297 VanDerWaalsContact C-N 3.26Å; L295-S297 PolarHBondContact O-N 2.83Å; S297-F299 VanDerWaalsContact C-N 3.28Å; S297-F299 PolarHBondContact O-N 3.15Å; S297-V300 PolarHBondContact O-N 2.89Å; S297-S301 PolarHBondContact O-N 3.43Å; S297-S301 VanDerWaalsContact O-N 3.14Å; S297-S301 PolarHBondContact O-OG 3.05Å |
| 298 | L | 93.3 | Very high | 90.8 | Very high | 9 Ų | 9 | 37 Ų | 37 | 5% | 0.047 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.7 | -26.7 | 176 | -62.1 | 175.2 | 0 | 0 | 0 | 113.2 | I253 C254 L295 C296 V300 S301 L302 V312 | I253-L298 HydrophobicContact CG2-CD1 3.63Å; C254-L298 HydrophobicContact CB-CD2 4.4Å; L295-L298 HydrophobicContact CD2-CD1 4.08Å; L295-L298 WeakPolarHBondContact O-CB 3.46Å; L295-L298 WeakPolarHBondContact O-CG 3.47Å; L295-L298 PolarHBondContact O-N 2.98Å; L295-L298 VanDerWaalsContact O-N 3.07Å; C296-L298 PolarHBondContact O-N 3.31Å; C296-L298 VanDerWaalsContact O-N 3.08Å; L298-V300 PolarHBondContact O-N 3.45Å; L298-S301 WeakPolarHBondContact CA-OG 3.45Å; L298-S301 PolarHBondContact O-N 3.23Å; L298-L302 HydrophobicContact CB-CD1 4.19Å; L298-L302 HydrophobicContact CD2-CD1 4.47Å; L298-L302 VanDerWaalsContact O-CB 3.28Å; L298-L302 WeakPolarHBondContact O-CB 3.45Å; L298-L302 PolarHBondContact O-N 2.99Å; L298-V312 HydrophobicContact CB-CG1 4.16Å; L298-V312 HydrophobicContact CB-CG2 3.98Å; L298-V312 HydrophobicContact CD1-CG2 4.25Å |
| 299 | F | 94.1 | Very high | 91 | Very high | 5 Ų | 5 | 36.6 Ų | 36.6 | 2% | 0.022 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.3 | -37 | 174.2 | -71.3 | -61.8 | 0 | 0 | 0 | 112 | C296 S297 V309 V312 Y313 F316 L333 A350 V351 | C296-F299 VanDerWaalsContact O-CD2 3.31Å; C296-F299 WeakPolarHBondContact O-CD2 3.39Å; C296-F299 PolarHBondContact O-N 3.06Å; C296-F299 VanDerWaalsContact O-N 3.11Å; S297-F299 VanDerWaalsContact C-N 3.28Å; S297-F299 PolarHBondContact O-N 3.15Å; F299-V309 HydrophobicContact CD1-CG2 4.49Å; F299-V312 HydrophobicContact CD1-CG1 4.08Å; F299-V312 HydrophobicContact CE1-CB 4.3Å; F299-V312 HydrophobicContact CE1-CG1 3.74Å; F299-V312 HydrophobicContact CE2-CG1 4.24Å; F299-V312 HydrophobicContact CG-CG1 4.45Å; F299-V312 HydrophobicContact CZ-CG1 3.84Å; F299-Y313 HydrophobicContact CD1-CD2 4.26Å; F299-Y313 HydrophobicContact CD1-CE1 4.2Å; F299-Y313 AromaticContact CD1-CE2 3.75Å; F299-Y313 HydrophobicContact CD1-CE2 3.75Å; F299-Y313 AromaticContact CD1-CZ 3.71Å; F299-Y313 AromaticContact CE1-CD1 3.83Å; F299-Y313 HydrophobicContact CE1-CD1 3.83Å; F299-Y313 AromaticContact CE1-CD2 3.81Å; F299-Y313 HydrophobicContact CE1-CD2 3.81Å; F299-Y313 AromaticContact CE1-CE1 3.65Å; F299-Y313 HydrophobicContact CE1-CE1 3.65Å; F299-Y313 AromaticContact CE1-CE2 3.69Å; F299-Y313 HydrophobicContact CE1-CE2 3.69Å; F299-Y313 AromaticContact CE1-CG 3.89Å; F299-Y313 HydrophobicContact CE1-CG 3.89Å; F299-Y313 AromaticContact CE1-CZ 3.6Å; F299-Y313 HydrophobicContact CZ-CD1 4.49Å; F299-Y313 HydrophobicContact CZ-CE1 4.45Å; F299-F316 HydrophobicContact CE2-CD2 4.07Å; F299-F316 HydrophobicContact CZ-CB 4.18Å; F299-F316 HydrophobicContact CZ-CD2 4.16Å; F299-F316 HydrophobicContact CZ-CG 4.37Å; F299-L333 HydrophobicContact CD2-CD1 3.84Å; F299-L333 HydrophobicContact CE2-CD1 3.99Å; F299-A350 HydrophobicContact CB-CB 4.23Å; F299-V351 HydrophobicContact CB-CG2 4.44Å; F299-V351 HydrophobicContact CD1-CG2 3.98Å; F299-V351 HydrophobicContact CD2-CG2 3.98Å; F299-V351 HydrophobicContact CE1-CG2 4.19Å; F299-V351 HydrophobicContact CE2-CG2 4.18Å; F299-V351 HydrophobicContact CG-CG2 3.88Å; F299-V351 HydrophobicContact CZ-CG2 4.28Å |
| 300 | V | 91.2 | Very high | 91.3 | Very high | 11 Ų | 11 | 35.1 Ų | 35.1 | 7% | 0.067 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -80.8 | -49.1 | 178.6 | -175.6 | 0 | 0 | 0 | 0 | 110.8 | S297 L298 L302 Q303 T339 P347 A350 | S297-V300 PolarHBondContact O-N 2.89Å; L298-V300 PolarHBondContact O-N 3.45Å; V300-L302 VanDerWaalsContact C-N 3.28Å; V300-L302 PolarHBondContact O-N 3.19Å; V300-Q303 PolarHBondContact O-N 3.15Å; V300-T339 WeakPolarHBondContact CB-OG1 3.4Å; V300-T339 WeakPolarHBondContact CG2-OG1 3.27Å; V300-P347 HydrophobicContact CG2-CB 4.38Å; V300-P347 HydrophobicContact CG2-CG 3.97Å; V300-A350 HydrophobicContact CG2-CB 3.93Å |
| 301 | S | 89.2 | Confident | 91.5 | Very high | 69 Ų | 69 | 30 Ų | 30 | 48% | 0.483 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -67.8 | -26.5 | -174.6 | 63.7 | 0 | 0 | 0 | 0 | 113.7 | S297 L298 | S297-S301 PolarHBondContact O-N 3.43Å; S297-S301 VanDerWaalsContact O-N 3.14Å; S297-S301 PolarHBondContact O-OG 3.05Å; L298-S301 WeakPolarHBondContact CA-OG 3.45Å; L298-S301 PolarHBondContact O-N 3.23Å |
| 302 | L | 91.1 | Very high | 91.7 | Very high | 19 Ų | 19 | 29.3 Ų | 29.3 | 10% | 0.099 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 9.6 | -179.4 | -59.1 | 178.1 | 0 | 0 | 0 | 114.3 | L298 V300 G304 H305 Q308 V309 V312 | L298-L302 HydrophobicContact CB-CD1 4.19Å; L298-L302 HydrophobicContact CD2-CD1 4.47Å; L298-L302 VanDerWaalsContact O-CB 3.28Å; L298-L302 WeakPolarHBondContact O-CB 3.45Å; L298-L302 PolarHBondContact O-N 2.99Å; V300-L302 VanDerWaalsContact C-N 3.28Å; V300-L302 PolarHBondContact O-N 3.19Å; L302-G304 PolarHBondContact O-N 3.5Å; L302-H305 WeakPolarHBondContact O-CA 3.39Å; L302-H305 PolarHBondContact O-N 2.88Å; L302-Q308 HydrophobicContact CD1-CB 4.16Å; L302-Q308 HydrophobicContact CD2-CB 4.44Å; L302-V309 HydrophobicContact CB-CB 3.95Å; L302-V309 HydrophobicContact CB-CG2 4.12Å; L302-V312 HydrophobicContact CD1-CG2 3.92Å |
| 303 | Q | 83.5 | Confident | 91.9 | Very high | 57 Ų | 57 | 29.3 Ų | 29.3 | 27% | 0.266 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -31.3 | -174.4 | -166.8 | 180 | 14.1 | 0 | 0 | 114.3 | V300 E353 | V300-Q303 PolarHBondContact O-N 3.15Å; Q303-E353 PolarHBondContact NE2-OE2 3.36Å |
| 304 | G | 84.4 | Confident | 92.1 | Very high | 71 Ų | 71 | 30.9 Ų | 30.9 | 73% | 0.732 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | 0.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | L302 | L302-G304 PolarHBondContact O-N 3.5Š|
| 305 | H | 89.7 | Confident | 92.3 | Very high | 95 Ų | 95 | 27.7 Ų | 27.7 | 44% | 0.44 | 16% | 0.163 | S | C | . | . | trans | -120.5 | 72.3 | -172.5 | -61.6 | -67 | 0 | 0 | 0 | 110.4 | L302 N307 Q308 V309 | L302-H305 WeakPolarHBondContact O-CA 3.39Å; L302-H305 PolarHBondContact O-N 2.88Å; H305-N307 PolarHBondContact O-N 3.43Å; H305-Q308 HydrophobicContact CB-CB 4.31Å; H305-Q308 PolarHBondContact O-N 3.44Å; H305-V309 PolarHBondContact O-N 3.42Å | ||
| 306 | L | 90.8 | Very high | 92.4 | Very high | 47 Ų | 47 | 27.6 Ų | 27.6 | 25% | 0.246 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -53 | -40.8 | -177.3 | -62.6 | -175 | 0 | 0 | 0 | 112.9 | Q308 V309 F310 M354 M362 F365 | L306-Q308 PolarHBondContact O-N 2.96Å; L306-Q308 VanDerWaalsContact O-N 3.08Å; L306-V309 HydrophobicContact CD2-CG1 4.31Å; L306-F310 WeakPolarHBondContact O-CD1 3.28Å; L306-F310 PolarHBondContact O-N 2.95Å; L306-M354 HydrophobicContact CD2-CE 3.95Å; L306-M362 HydrophobicContact CD1-CE 3.88Å; L306-M362 HydrophobicContact CD2-CE 3.56Å; L306-M362 HydrophobicContact CG-CE 4.37Å; L306-F365 HydrophobicContact CB-CD2 3.73Å; L306-F365 HydrophobicContact CB-CE2 4Å; L306-F365 HydrophobicContact CB-CG 4.15Å; L306-F365 HydrophobicContact CD1-CD2 4.29Å |
| 307 | N | 87.9 | Confident | 92.5 | Very high | 29 Ų | 29 | 28.1 Ų | 28.1 | 16% | 0.155 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.6 | -2.6 | 176.1 | 65.5 | -34.5 | 0 | 0 | 0 | 114.8 | W91 F263 H305 F310 F365 | W91-N307 VanDerWaalsContact CE2-ND2 3.35Å; W91-N307 PolarHBondContact NE1-ND2 3.44Å; F263-N307 VanDerWaalsContact CZ-O 3.27Å; F263-N307 WeakPolarHBondContact CZ-O 3.38Å; H305-N307 PolarHBondContact O-N 3.43Å; N307-F310 WeakPolarHBondContact O-CE1 3.28Å; N307-F365 VanDerWaalsContact CA-CZ 3.44Å; N307-F365 HydrophobicContact CB-CE2 4.34Å; N307-F365 HydrophobicContact CB-CZ 3.83Å |
| 308 | Q | 91.7 | Very high | 92.7 | Very high | 20 Ų | 20 | 30.6 Ų | 30.6 | 9% | 0.093 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -120.6 | -41.6 | 171.4 | -67.8 | -179.1 | 65.8 | 0 | 0 | 111.4 | W91 F259 L302 H305 L306 F310 K311 | W91-Q308 HydrophobicContact CZ2-CG 4.44Å; F259-Q308 HydrophobicContact CD1-CG 4.35Å; L302-Q308 HydrophobicContact CD1-CB 4.16Å; L302-Q308 HydrophobicContact CD2-CB 4.44Å; H305-Q308 HydrophobicContact CB-CB 4.31Å; H305-Q308 PolarHBondContact O-N 3.44Å; L306-Q308 PolarHBondContact O-N 2.96Å; L306-Q308 VanDerWaalsContact O-N 3.08Å; Q308-F310 VanDerWaalsContact C-N 3.29Å; Q308-F310 PolarHBondContact O-N 3.2Å; Q308-K311 WeakPolarHBondContact O-CB 3.39Å; Q308-K311 PolarHBondContact O-N 3.46Å; Q308-K311 VanDerWaalsContact O-N 3.12Å |
| 309 | V | 94.6 | Very high | 92.7 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.6 | -30.5 | -175.9 | 77.9 | 0 | 0 | 0 | 0 | 112.7 | F299 L302 H305 L306 K311 V312 Y313 M354 L368 | F299-V309 HydrophobicContact CD1-CG2 4.49Å; L302-V309 HydrophobicContact CB-CB 3.95Å; L302-V309 HydrophobicContact CB-CG2 4.12Å; H305-V309 PolarHBondContact O-N 3.42Å; L306-V309 HydrophobicContact CD2-CG1 4.31Å; V309-K311 PolarHBondContact O-N 3.36Å; V309-K311 VanDerWaalsContact O-N 3.12Å; V309-V312 WeakPolarHBondContact O-CA 3.31Å; V309-V312 WeakPolarHBondContact O-CB 3.46Å; V309-V312 PolarHBondContact O-N 3.01Å; V309-Y313 HydrophobicContact CG2-CD2 4.2Å; V309-Y313 HydrophobicContact CG2-CE2 3.9Å; V309-Y313 WeakPolarHBondContact O-CD2 3.37Å; V309-Y313 PolarHBondContact O-N 3.11Å; V309-Y313 VanDerWaalsContact O-N 3.14Å; V309-M354 HydrophobicContact CG1-CE 4.32Å; V309-L368 HydrophobicContact CG1-CD1 4.4Å; V309-L368 HydrophobicContact CG1-CD2 4.08Å |
| 310 | F | 94.9 | Very high | 92.6 | Very high | 46 Ų | 46 | 30.1 Ų | 30.1 | 20% | 0.202 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -55.3 | -33.9 | 175.8 | 88.5 | -88.2 | 0 | 0 | 0 | 111.8 | F263 L306 N307 Q308 V312 Y313 Q314 F365 L368 | F263-F310 HydrophobicContact CE1-CE1 4.36Å; F263-F310 AromaticContact CE2-CE1 3.92Å; F263-F310 HydrophobicContact CE2-CE1 3.92Å; F263-F310 AromaticContact CE2-CZ 3.86Å; F263-F310 HydrophobicContact CE2-CZ 3.86Å; F263-F310 AromaticContact CZ-CE1 3.56Å; F263-F310 HydrophobicContact CZ-CE1 3.56Å; F263-F310 AromaticContact CZ-CZ 3.91Å; F263-F310 HydrophobicContact CZ-CZ 3.91Å; L306-F310 WeakPolarHBondContact O-CD1 3.28Å; L306-F310 PolarHBondContact O-N 2.95Å; N307-F310 WeakPolarHBondContact O-CE1 3.28Å; Q308-F310 VanDerWaalsContact C-N 3.29Å; Q308-F310 PolarHBondContact O-N 3.2Å; F310-V312 VanDerWaalsContact C-N 3.31Å; F310-V312 PolarHBondContact O-N 3.37Å; F310-Y313 PolarHBondContact O-N 3.49Å; F310-Q314 PolarHBondContact O-N 2.89Å; F310-F365 HydrophobicContact CB-CD1 4.03Å; F310-F365 HydrophobicContact CB-CE1 4.24Å; F310-F365 HydrophobicContact CD1-CD1 4.32Å; F310-F365 AromaticContact CD1-CE1 3.66Å; F310-F365 HydrophobicContact CD1-CE1 3.66Å; F310-F365 HydrophobicContact CE1-CE1 4.23Å; F310-F365 HydrophobicContact CG-CD1 4.24Å; F310-F365 AromaticContact CG-CE1 3.99Å; F310-F365 HydrophobicContact CG-CE1 3.99Å; F310-L368 HydrophobicContact CB-CD1 3.57Å; F310-L368 HydrophobicContact CB-CG 4.11Å |
| 311 | K | 94.1 | Very high | 92.6 | Very high | 3 Ų | 3 | 35.1 Ų | 35.1 | 1% | 0.013 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -72.3 | -27 | 179.3 | -163.8 | 61.4 | 176.7 | 178.2 | 0 | 112.1 | Y139 F263 V266 D267 Q308 V309 L315 | Y139-K311 VanDerWaalsContact OH-CE 3.25Å; Y139-K311 WeakPolarHBondContact OH-CE 3.43Å; Y139-K311 PolarHBondContact OH-NZ 2.6Å; F263-K311 HydrophobicContact CD1-CB 4Å; F263-K311 HydrophobicContact CD1-CD 4.41Å; F263-K311 HydrophobicContact CD1-CG 3.67Å; F263-K311 HydrophobicContact CE1-CB 3.88Å; F263-K311 HydrophobicContact CE1-CG 4.09Å; F263-K311 HydrophobicContact CG-CD 4.4Å; F263-K311 HydrophobicContact CG-CG 4.13Å; F263-K311 WeakPolarHBondContact O-CE 3.39Å; V266-K311 HydrophobicContact CB-CD 4.28Å; V266-K311 HydrophobicContact CB-CG 3.85Å; V266-K311 HydrophobicContact CG1-CD 3.97Å; V266-K311 HydrophobicContact CG1-CG 3.87Å; V266-K311 HydrophobicContact CG2-CG 3.89Å; D267-K311 VanDerWaalsContact CG-NZ 3.32Å; D267-K311 WeakPolarHBondContact OD1-CE 3.48Å; D267-K311 IonicContact OD1-NZ 2.75Å; D267-K311 PolarHBondContact OD1-NZ 3.24Å; D267-K311 IonicContact OD2-NZ 2.62Å; Q308-K311 WeakPolarHBondContact O-CB 3.39Å; Q308-K311 PolarHBondContact O-N 3.46Å; Q308-K311 VanDerWaalsContact O-N 3.12Å; V309-K311 PolarHBondContact O-N 3.36Å; V309-K311 VanDerWaalsContact O-N 3.12Å; K311-L315 WeakPolarHBondContact O-CB 3.46Å; K311-L315 PolarHBondContact O-N 2.83Å |
| 312 | V | 96.2 | Very high | 92.7 | Very high | 7 Ų | 7 | 33 Ų | 33 | 4% | 0.042 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -72.5 | -39.5 | 172.3 | -173.9 | 0 | 0 | 0 | 0 | 110.9 | L298 F299 L302 V309 F310 L315 F316 | L298-V312 HydrophobicContact CB-CG1 4.16Å; L298-V312 HydrophobicContact CB-CG2 3.98Å; L298-V312 HydrophobicContact CD1-CG2 4.25Å; F299-V312 HydrophobicContact CD1-CG1 4.08Å; F299-V312 HydrophobicContact CE1-CB 4.3Å; F299-V312 HydrophobicContact CE1-CG1 3.74Å; F299-V312 HydrophobicContact CE2-CG1 4.24Å; F299-V312 HydrophobicContact CG-CG1 4.45Å; F299-V312 HydrophobicContact CZ-CG1 3.84Å; L302-V312 HydrophobicContact CD1-CG2 3.92Å; V309-V312 WeakPolarHBondContact O-CA 3.31Å; V309-V312 WeakPolarHBondContact O-CB 3.46Å; V309-V312 PolarHBondContact O-N 3.01Å; F310-V312 VanDerWaalsContact C-N 3.31Å; F310-V312 PolarHBondContact O-N 3.37Å; V312-L315 WeakPolarHBondContact O-CB 3.42Å; V312-L315 PolarHBondContact O-N 3.08Å; V312-F316 PolarHBondContact O-N 2.93Å |
| 313 | Y | 97.7 | Very high | 92.5 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.008 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.9 | -44.7 | 171.1 | -78.4 | -83.3 | 0 | 0 | 0 | 111.5 | F299 V309 F310 L315 F316 L317 V351 M354 L368 E371 A372 V375 | F299-Y313 HydrophobicContact CD1-CD2 4.26Å; F299-Y313 HydrophobicContact CD1-CE1 4.2Å; F299-Y313 AromaticContact CD1-CE2 3.75Å; F299-Y313 HydrophobicContact CD1-CE2 3.75Å; F299-Y313 AromaticContact CD1-CZ 3.71Å; F299-Y313 AromaticContact CE1-CD1 3.83Å; F299-Y313 HydrophobicContact CE1-CD1 3.83Å; F299-Y313 AromaticContact CE1-CD2 3.81Å; F299-Y313 HydrophobicContact CE1-CD2 3.81Å; F299-Y313 AromaticContact CE1-CE1 3.65Å; F299-Y313 HydrophobicContact CE1-CE1 3.65Å; F299-Y313 AromaticContact CE1-CE2 3.69Å; F299-Y313 HydrophobicContact CE1-CE2 3.69Å; F299-Y313 AromaticContact CE1-CG 3.89Å; F299-Y313 HydrophobicContact CE1-CG 3.89Å; F299-Y313 AromaticContact CE1-CZ 3.6Å; F299-Y313 HydrophobicContact CZ-CD1 4.49Å; F299-Y313 HydrophobicContact CZ-CE1 4.45Å; V309-Y313 HydrophobicContact CG2-CD2 4.2Å; V309-Y313 HydrophobicContact CG2-CE2 3.9Å; V309-Y313 WeakPolarHBondContact O-CD2 3.37Å; V309-Y313 PolarHBondContact O-N 3.11Å; V309-Y313 VanDerWaalsContact O-N 3.14Å; F310-Y313 PolarHBondContact O-N 3.49Å; Y313-L315 PolarHBondContact O-N 3.47Å; Y313-F316 PolarHBondContact O-N 3.37Å; Y313-L317 WeakPolarHBondContact O-CB 3.35Å; Y313-L317 WeakPolarHBondContact O-CG 3.45Å; Y313-L317 PolarHBondContact O-N 3.2Å; Y313-V351 HydrophobicContact CE1-CG1 4.36Å; Y313-V351 HydrophobicContact CE1-CG2 4.3Å; Y313-M354 HydrophobicContact CE2-CG 4.11Å; Y313-M354 WeakPolarHBondContact OH-CB 3.48Å; Y313-M354 WeakPolarHBondContact OH-CG 3.32Å; Y313-L368 HydrophobicContact CD2-CD2 3.23Å; Y313-L368 HydrophobicContact CE2-CD2 3.43Å; Y313-L368 VanDerWaalsContact CE2-CD2 3.43Å; Y313-L368 HydrophobicContact CG-CD2 3.98Å; Y313-E371 HydrophobicContact CD1-CB 4.29Å; Y313-A372 HydrophobicContact CD1-CB 4.43Å; Y313-A372 HydrophobicContact CE1-CB 3.6Å; Y313-V375 HydrophobicContact CD1-CG2 3.88Å; Y313-V375 HydrophobicContact CE1-CG2 4.27Å |
| 314 | Q | 95.9 | Very high | 92.7 | Very high | 57 Ų | 57 | 38.4 Ų | 38.4 | 27% | 0.266 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -58 | -46.6 | 173.9 | -173.9 | 178.7 | 24.7 | 0 | 0 | 111.8 | I270 F310 F316 L317 M318 | I270-Q314 HydrophobicContact CD1-CG 4.43Å; F310-Q314 PolarHBondContact O-N 2.89Å; Q314-F316 VanDerWaalsContact C-N 3.34Å; Q314-F316 PolarHBondContact O-N 2.9Å; Q314-L317 PolarHBondContact O-N 3.34Å; Q314-M318 HydrophobicContact CG-CG 4.03Å; Q314-M318 VanDerWaalsContact O-CB 3.28Å; Q314-M318 WeakPolarHBondContact O-CB 3.39Å; Q314-M318 VanDerWaalsContact O-CG 3.22Å; Q314-M318 WeakPolarHBondContact O-CG 3.47Å; Q314-M318 PolarHBondContact O-N 3.31Å |
| 315 | L | 96.5 | Very high | 93.2 | Very high | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -53 | -53 | 175 | 176.1 | 60 | 0 | 0 | 0 | 110.8 | I253 V266 F269 I270 L295 K311 V312 Y313 S319 F329 | I253-L315 HydrophobicContact CD1-CD2 4.39Å; V266-L315 HydrophobicContact CG1-CB 3.71Å; V266-L315 HydrophobicContact CG1-CD1 4.11Å; V266-L315 HydrophobicContact CG1-CG 4.38Å; V266-L315 HydrophobicContact CG2-CB 4.48Å; V266-L315 HydrophobicContact CG2-CD2 4.33Å; F269-L315 HydrophobicContact CB-CD1 3.99Å; F269-L315 HydrophobicContact CD1-CD1 3.42Å; F269-L315 VanDerWaalsContact CD1-CD1 3.42Å; F269-L315 HydrophobicContact CE1-CD1 4.06Å; F269-L315 HydrophobicContact CG-CD1 3.83Å; I270-L315 HydrophobicContact CG1-CD1 3.92Å; L295-L315 HydrophobicContact CD1-CD2 4.03Å; L295-L315 HydrophobicContact CD2-CD2 4.03Å; L295-L315 HydrophobicContact CG-CD2 4.49Å; K311-L315 WeakPolarHBondContact O-CB 3.46Å; K311-L315 PolarHBondContact O-N 2.83Å; V312-L315 WeakPolarHBondContact O-CB 3.42Å; V312-L315 PolarHBondContact O-N 3.08Å; Y313-L315 PolarHBondContact O-N 3.47Å; L315-S319 WeakPolarHBondContact O-CB 3.31Å; L315-S319 PolarHBondContact O-N 2.81Å; L315-S319 PolarHBondContact O-OG 3.43Å; L315-F329 HydrophobicContact CG-CZ 4.38Å |
| 316 | F | 97 | Very high | 93.4 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 0% | 0.004 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.8 | -50.3 | -176.8 | -165.2 | -75.5 | 0 | 0 | 0 | 111.7 | F299 V312 Y313 Q314 S319 C320 F329 L333 V375 V379 | F299-F316 HydrophobicContact CE2-CD2 4.07Å; F299-F316 HydrophobicContact CZ-CB 4.18Å; F299-F316 HydrophobicContact CZ-CD2 4.16Å; F299-F316 HydrophobicContact CZ-CG 4.37Å; V312-F316 PolarHBondContact O-N 2.93Å; Y313-F316 PolarHBondContact O-N 3.37Å; Q314-F316 VanDerWaalsContact C-N 3.34Å; Q314-F316 PolarHBondContact O-N 2.9Å; F316-S319 PolarHBondContact O-N 3.34Å; F316-C320 WeakPolarHBondContact CD1-SG 3.37Å; F316-C320 WeakPolarHBondContact CE1-SG 3.34Å; F316-C320 WeakPolarHBondContact O-CB 3.48Å; F316-C320 PolarHBondContact O-N 3.07Å; F316-C320 PolarHBondContact O-SG 3.4Å; F316-F329 HydrophobicContact CD2-CB 4.27Å; F316-F329 AromaticContact CD2-CD1 3.56Å; F316-F329 HydrophobicContact CD2-CD1 3.56Å; F316-F329 HydrophobicContact CD2-CE1 4.21Å; F316-F329 HydrophobicContact CD2-CG 4.2Å; F316-F329 HydrophobicContact CE2-CB 3.75Å; F316-F329 AromaticContact CE2-CD1 3.72Å; F316-F329 HydrophobicContact CE2-CD1 3.72Å; F316-F329 HydrophobicContact CE2-CG 4.14Å; F316-F329 HydrophobicContact CG-CD1 4.4Å; F316-F329 HydrophobicContact CZ-CB 3.93Å; F316-L333 HydrophobicContact CE2-CB 4.24Å; F316-L333 HydrophobicContact CE2-CD2 4.2Å; F316-L333 HydrophobicContact CZ-CD2 4.24Å; F316-V375 HydrophobicContact CB-CG2 4.47Å; F316-V375 HydrophobicContact CD1-CB 4.33Å; F316-V375 HydrophobicContact CD1-CG1 3.87Å; F316-V375 HydrophobicContact CD1-CG2 3.74Å; F316-V375 HydrophobicContact CE1-CB 4.42Å; F316-V375 HydrophobicContact CE1-CG1 3.7Å; F316-V375 HydrophobicContact CE1-CG2 4.3Å; F316-V375 HydrophobicContact CG-CG1 4.36Å; F316-V375 HydrophobicContact CG-CG2 4.26Å; F316-V375 HydrophobicContact CZ-CG1 4.05Å; F316-V379 HydrophobicContact CE1-CG2 4.4Å; F316-V379 HydrophobicContact CZ-CG2 3.97Å |
| 317 | L | 97.1 | Very high | 93.5 | Very high | 11 Ų | 11 | 35.4 Ų | 35.4 | 6% | 0.058 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.2 | -42.7 | -176.4 | -71.4 | 175.5 | 0 | 0 | 0 | 112.3 | Y313 Q314 C320 E371 Q374 V375 F378 | Y313-L317 WeakPolarHBondContact O-CB 3.35Å; Y313-L317 WeakPolarHBondContact O-CG 3.45Å; Y313-L317 PolarHBondContact O-N 3.2Å; Q314-L317 PolarHBondContact O-N 3.34Å; L317-C320 WeakPolarHBondContact O-CB 3.18Å; L317-C320 PolarHBondContact O-N 2.83Å; L317-E371 HydrophobicContact CD1-CB 3.65Å; L317-E371 HydrophobicContact CD1-CG 3.68Å; L317-Q374 HydrophobicContact CD2-CB 3.78Å; L317-V375 HydrophobicContact CD2-CG2 3.69Å; L317-V375 HydrophobicContact CG-CG2 3.97Å; L317-F378 HydrophobicContact CD2-CD2 4.06Å; L317-F378 HydrophobicContact CD2-CE2 3.69Å |
| 318 | M | 95.6 | Very high | 93.8 | Very high | 81 Ų | 81 | 35.1 Ų | 35.1 | 40% | 0.399 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -68.9 | -37.2 | 176.7 | -64.7 | -64 | 97.1 | 0 | 0 | 111.6 | I270 Q314 C320 N321 | I270-M318 HydrophobicContact CD1-CB 3.91Å; I270-M318 HydrophobicContact CD1-CG 4.17Å; I270-M318 HydrophobicContact CG1-CB 4.07Å; I270-M318 HydrophobicContact CG2-CB 3.77Å; Q314-M318 HydrophobicContact CG-CG 4.03Å; Q314-M318 VanDerWaalsContact O-CB 3.28Å; Q314-M318 WeakPolarHBondContact O-CB 3.39Å; Q314-M318 VanDerWaalsContact O-CG 3.22Å; Q314-M318 WeakPolarHBondContact O-CG 3.47Å; Q314-M318 PolarHBondContact O-N 3.31Å; M318-C320 VanDerWaalsContact C-N 3.27Å; M318-C320 PolarHBondContact O-N 3.41Å; M318-N321 WeakPolarHBondContact O-CB 3.31Å; M318-N321 PolarHBondContact O-N 3.01Å |
| 319 | S | 93.9 | Very high | 94 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.7 | -29.8 | 174.8 | -56.8 | 0 | 0 | 0 | 0 | 112.6 | I273 L315 F316 N321 V322 | I273-S319 WeakPolarHBondContact CD1-OG 3.32Å; L315-S319 WeakPolarHBondContact O-CB 3.31Å; L315-S319 PolarHBondContact O-N 2.81Å; L315-S319 PolarHBondContact O-OG 3.43Å; F316-S319 PolarHBondContact O-N 3.34Å; S319-N321 PolarHBondContact O-N 2.98Å; S319-V322 PolarHBondContact O-N 3.44Å; S319-V322 VanDerWaalsContact O-N 3.1Å |
| 320 | C | 92.5 | Very high | 94 | Very high | 3 Ų | 3 | 34.3 Ų | 34.3 | 2% | 0.02 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -10.9 | 175.4 | -74.2 | 0 | 0 | 0 | 0 | 114.2 | F316 L317 M318 V322 R326 F378 | F316-C320 WeakPolarHBondContact CD1-SG 3.37Å; F316-C320 WeakPolarHBondContact CE1-SG 3.34Å; F316-C320 WeakPolarHBondContact O-CB 3.48Å; F316-C320 PolarHBondContact O-N 3.07Å; F316-C320 PolarHBondContact O-SG 3.4Å; L317-C320 WeakPolarHBondContact O-CB 3.18Å; L317-C320 PolarHBondContact O-N 2.83Å; M318-C320 VanDerWaalsContact C-N 3.27Å; M318-C320 PolarHBondContact O-N 3.41Å; C320-V322 VanDerWaalsContact C-N 3.27Å; C320-R326 HydrophobicContact CB-CB 4.34Å; C320-R326 HydrophobicContact CB-CG 3.98Å; C320-R326 WeakPolarHBondContact O-CD 3.22Å; C320-F378 HydrophobicContact CB-CD2 3.88Å; C320-F378 HydrophobicContact CB-CE2 3.98Å |
| 321 | N | 90.5 | Very high | 93.9 | Very high | 116 Ų | 116 | 35 Ų | 35 | 62% | 0.62 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -10.2 | 171.6 | -65.7 | -34.3 | 0 | 0 | 0 | 112.7 | M318 S319 | M318-N321 WeakPolarHBondContact O-CB 3.31Å; M318-N321 PolarHBondContact O-N 3.01Å; S319-N321 PolarHBondContact O-N 2.98Å |
| 322 | V | 91.3 | Very high | 93.9 | Very high | 25 Ų | 25 | 35.3 Ų | 35.3 | 15% | 0.152 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -98.4 | 124.6 | 178.9 | -177.3 | 0 | 0 | 0 | 0 | 109.9 | I273 C279 S319 C320 I325 R326 | I273-V322 HydrophobicContact CD1-CG2 4.33Å; I273-V322 HydrophobicContact CG1-CG2 4.27Å; C279-V322 HydrophobicContact CB-CG1 4.38Å; C279-V322 VanDerWaalsContact SG-CG1 3.51Å; S319-V322 PolarHBondContact O-N 3.44Å; S319-V322 VanDerWaalsContact O-N 3.1Å; C320-V322 VanDerWaalsContact C-N 3.27Å; V322-I325 HydrophobicContact CB-CB 4.06Å; V322-I325 HydrophobicContact CB-CG1 4.27Å; V322-I325 HydrophobicContact CG1-CB 4.12Å; V322-I325 HydrophobicContact CG1-CG1 3.82Å; V322-I325 PolarHBondContact O-N 3.49Å; V322-R326 PolarHBondContact O-N 2.93Å |
| 323 | E | 85.7 | Confident | 93.8 | Very high | 167 Ų | 167 | 35 Ų | 35 | 78% | 0.78 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | 139.5 | 178.6 | -169 | 176 | 179.7 | 0 | 0 | 111.5 | I325 | E323-I325 PolarHBondContact O-N 3.46Å; E323-I325 VanDerWaalsContact O-N 3.08Å |
| 324 | G | 89.6 | Confident | 93.5 | Very high | 23 Ų | 23 | 36 Ų | 36 | 24% | 0.237 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.3 | -44.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L283 E327 A328 | L283-G324 VanDerWaalsContact CD2-C 3.5Å; L283-G324 WeakPolarHBondContact CD2-O 3.36Å; G324-E327 VanDerWaalsContact C-OE2 3.24Å; G324-E327 WeakPolarHBondContact CA-OE2 3.17Å; G324-E327 PolarHBondContact N-OE2 3.48Å; G324-E327 PolarHBondContact O-N 3.22Å; G324-A328 PolarHBondContact O-N 3.16Å; G324-A328 VanDerWaalsContact O-N 3.07Å |
| 325 | I | 93.3 | Very high | 93 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -69.8 | -39.3 | 179.5 | -63.9 | -70 | 0 | 0 | 0 | 111.1 | I273 C279 L282 L283 L288 V322 E323 E327 A328 F329 | I273-I325 HydrophobicContact CD1-CG2 4.14Å; C279-I325 VanDerWaalsContact SG-CG1 3.55Å; L282-I325 HydrophobicContact CD2-CD1 3.99Å; L283-I325 HydrophobicContact CD2-CD1 3.73Å; L283-I325 HydrophobicContact CD2-CG1 4.25Å; L283-I325 HydrophobicContact CG-CD1 3.92Å; L283-I325 HydrophobicContact CG-CG1 4.39Å; L288-I325 HydrophobicContact CD2-CD1 4.45Å; V322-I325 HydrophobicContact CB-CB 4.06Å; V322-I325 HydrophobicContact CB-CG1 4.27Å; V322-I325 HydrophobicContact CG1-CB 4.12Å; V322-I325 HydrophobicContact CG1-CG1 3.82Å; V322-I325 PolarHBondContact O-N 3.49Å; E323-I325 PolarHBondContact O-N 3.46Å; E323-I325 VanDerWaalsContact O-N 3.08Å; I325-E327 VanDerWaalsContact C-N 3.3Å; I325-E327 PolarHBondContact O-N 3.16Å; I325-A328 WeakPolarHBondContact O-CB 3.5Å; I325-A328 PolarHBondContact O-N 2.98Å; I325-F329 HydrophobicContact CG2-CD2 3.65Å; I325-F329 HydrophobicContact CG2-CE2 3.88Å; I325-F329 PolarHBondContact O-N 3.35Å |
| 326 | R | 93.9 | Very high | 92.6 | Very high | 102 Ų | 102 | 38 Ų | 38 | 39% | 0.385 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -52.8 | -49.9 | 172.4 | -180 | 179.5 | 58.6 | -160.2 | -3.8 | 111.5 | C320 V322 A328 F329 C330 | C320-R326 HydrophobicContact CB-CB 4.34Å; C320-R326 HydrophobicContact CB-CG 3.98Å; C320-R326 WeakPolarHBondContact O-CD 3.22Å; V322-R326 PolarHBondContact O-N 2.93Å; R326-A328 VanDerWaalsContact C-N 3.31Å; R326-A328 PolarHBondContact O-N 3.12Å; R326-F329 PolarHBondContact O-N 3.28Å; R326-C330 WeakPolarHBondContact O-CB 3.48Å; R326-C330 PolarHBondContact O-N 3.38Å; R326-C330 PolarHBondContact O-SG 3.25Å |
| 327 | E | 93.6 | Very high | 91.8 | Very high | 45 Ų | 45 | 45.7 Ų | 45.7 | 21% | 0.21 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.8 | -40.1 | -179.2 | -66 | 70.7 | -156.9 | 0 | 0 | 110.6 | G324 I325 T331 | G324-E327 VanDerWaalsContact C-OE2 3.24Å; G324-E327 WeakPolarHBondContact CA-OE2 3.17Å; G324-E327 PolarHBondContact N-OE2 3.48Å; G324-E327 PolarHBondContact O-N 3.22Å; I325-E327 VanDerWaalsContact C-N 3.3Å; I325-E327 PolarHBondContact O-N 3.16Å; E327-T331 VanDerWaalsContact O-CB 3.28Å; E327-T331 WeakPolarHBondContact O-CB 3.05Å; E327-T331 PolarHBondContact O-N 2.88Å; E327-T331 PolarHBondContact O-OG1 2.89Å |
| 328 | A | 93.9 | Very high | 90.6 | Very high | 24 Ų | 24 | 47.9 Ų | 47.9 | 20% | 0.198 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.6 | -49.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L283 L288 L292 G324 I325 R326 T331 A332 | L283-A328 HydrophobicContact CD2-CB 4.41Å; L288-A328 HydrophobicContact CD2-CB 4.04Å; L292-A328 HydrophobicContact CD1-CB 3.61Å; G324-A328 PolarHBondContact O-N 3.16Å; G324-A328 VanDerWaalsContact O-N 3.07Å; I325-A328 WeakPolarHBondContact O-CB 3.5Å; I325-A328 PolarHBondContact O-N 2.98Å; R326-A328 VanDerWaalsContact C-N 3.31Å; R326-A328 PolarHBondContact O-N 3.12Å; A328-T331 PolarHBondContact O-N 3.3Å; A328-A332 VanDerWaalsContact O-CB 3.31Å; A328-A332 WeakPolarHBondContact O-CB 3.4Å; A328-A332 PolarHBondContact O-N 3.07Å |
| 329 | F | 95.2 | Very high | 89.1 | Confident | 3 Ų | 3 | 47.3 Ų | 47.3 | 1% | 0.013 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.7 | -45 | 177.5 | -97.9 | -77.2 | 0 | 0 | 0 | 112.5 | F269 L292 L295 L315 F316 I325 R326 T331 A332 L333 | F269-F329 AromaticContact CE1-CE2 3.96Å; F269-F329 HydrophobicContact CE1-CE2 3.96Å; F269-F329 AromaticContact CE1-CZ 3.99Å; F269-F329 HydrophobicContact CE1-CZ 3.99Å; F269-F329 HydrophobicContact CZ-CE2 4.31Å; F269-F329 HydrophobicContact CZ-CZ 4.18Å; L292-F329 HydrophobicContact CD1-CD2 4.08Å; L292-F329 HydrophobicContact CD1-CE2 4.47Å; L292-F329 HydrophobicContact CD1-CG 4.12Å; L292-F329 HydrophobicContact CD2-CD1 4.11Å; L292-F329 HydrophobicContact CD2-CD2 4Å; L292-F329 HydrophobicContact CD2-CE1 3.7Å; L292-F329 HydrophobicContact CD2-CE2 3.56Å; L292-F329 HydrophobicContact CD2-CG 4.27Å; L292-F329 HydrophobicContact CD2-CZ 3.42Å; L292-F329 VanDerWaalsContact CD2-CZ 3.42Å; L295-F329 HydrophobicContact CD1-CE1 4.29Å; L295-F329 HydrophobicContact CD1-CZ 4.13Å; L315-F329 HydrophobicContact CG-CZ 4.38Å; F316-F329 HydrophobicContact CD2-CB 4.27Å; F316-F329 AromaticContact CD2-CD1 3.56Å; F316-F329 HydrophobicContact CD2-CD1 3.56Å; F316-F329 HydrophobicContact CD2-CE1 4.21Å; F316-F329 HydrophobicContact CD2-CG 4.2Å; F316-F329 HydrophobicContact CE2-CB 3.75Å; F316-F329 AromaticContact CE2-CD1 3.72Å; F316-F329 HydrophobicContact CE2-CD1 3.72Å; F316-F329 HydrophobicContact CE2-CG 4.14Å; F316-F329 HydrophobicContact CG-CD1 4.4Å; F316-F329 HydrophobicContact CZ-CB 3.93Å; I325-F329 HydrophobicContact CG2-CD2 3.65Å; I325-F329 HydrophobicContact CG2-CE2 3.88Å; I325-F329 PolarHBondContact O-N 3.35Å; R326-F329 PolarHBondContact O-N 3.28Å; F329-T331 VanDerWaalsContact C-N 3.34Å; F329-T331 PolarHBondContact O-N 2.87Å; F329-A332 PolarHBondContact O-N 2.8Å; F329-L333 WeakPolarHBondContact O-CB 3.3Å; F329-L333 PolarHBondContact O-N 3.39Å |
| 330 | C | 95.3 | Very high | 87.4 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.007 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 177.9 | -67.5 | 0 | 0 | 0 | 0 | 111.1 | R326 L333 I334 V379 R382 | R326-C330 WeakPolarHBondContact O-CB 3.48Å; R326-C330 PolarHBondContact O-N 3.38Å; R326-C330 PolarHBondContact O-SG 3.25Å; C330-L333 PolarHBondContact O-N 3.08Å; C330-I334 WeakPolarHBondContact O-CD1 3.43Å; C330-I334 VanDerWaalsContact O-CG1 3.23Å; C330-I334 WeakPolarHBondContact O-CG1 3.29Å; C330-I334 PolarHBondContact O-N 3.47Å; C330-V379 HydrophobicContact CB-CG2 4.37Å; C330-R382 HydrophobicContact CB-CB 3.71Å; C330-R382 HydrophobicContact CB-CG 3.81Å |
| 331 | T | 93.6 | Very high | 85.6 | Confident | 59 Ų | 59 | 59.6 Ų | 59.6 | 36% | 0.362 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.1 | -40.9 | 177.8 | -53.8 | 0 | 0 | 0 | 0 | 111.4 | E327 A328 F329 I334 S335 | E327-T331 VanDerWaalsContact O-CB 3.28Å; E327-T331 WeakPolarHBondContact O-CB 3.05Å; E327-T331 PolarHBondContact O-N 2.88Å; E327-T331 PolarHBondContact O-OG1 2.89Å; A328-T331 PolarHBondContact O-N 3.3Å; F329-T331 VanDerWaalsContact C-N 3.34Å; F329-T331 PolarHBondContact O-N 2.87Å; T331-I334 PolarHBondContact O-N 3.43Å; T331-S335 WeakPolarHBondContact O-CB 3.49Å; T331-S335 PolarHBondContact O-N 2.88Å; T331-S335 PolarHBondContact O-OG 3.4Å |
| 332 | A | 93.7 | Very high | 83.8 | Confident | 10 Ų | 10 | 62.5 Ų | 62.5 | 8% | 0.083 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.8 | -42.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L292 A328 F329 S335 A336 | L292-A332 HydrophobicContact CB-CB 3.55Å; L292-A332 HydrophobicContact CD1-CB 4.47Å; A328-A332 VanDerWaalsContact O-CB 3.31Å; A328-A332 WeakPolarHBondContact O-CB 3.4Å; A328-A332 PolarHBondContact O-N 3.07Å; F329-A332 PolarHBondContact O-N 2.8Å; A332-S335 PolarHBondContact O-N 3.47Å; A332-A336 VanDerWaalsContact O-CB 3.32Å; A332-A336 WeakPolarHBondContact O-CB 3.28Å; A332-A336 PolarHBondContact O-N 2.71Å |
| 333 | L | 94.5 | Very high | 82.1 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -66.7 | -38.4 | 178.5 | -169.1 | 69.9 | 0 | 0 | 0 | 112.5 | C296 F299 F316 F329 C330 P347 L348 V351 V375 V379 | C296-L333 HydrophobicContact CB-CD1 3.81Å; F299-L333 HydrophobicContact CD2-CD1 3.84Å; F299-L333 HydrophobicContact CE2-CD1 3.99Å; F316-L333 HydrophobicContact CE2-CB 4.24Å; F316-L333 HydrophobicContact CE2-CD2 4.2Å; F316-L333 HydrophobicContact CZ-CD2 4.24Å; F329-L333 WeakPolarHBondContact O-CB 3.3Å; F329-L333 PolarHBondContact O-N 3.39Å; C330-L333 PolarHBondContact O-N 3.08Å; L333-P347 HydrophobicContact CD1-CB 3.56Å; L333-L348 HydrophobicContact CD2-CD1 4.23Å; L333-V351 HydrophobicContact CD2-CG2 4.34Å; L333-V375 HydrophobicContact CD2-CG1 3.98Å; L333-V379 HydrophobicContact CD2-CG2 3.53Å |
| 334 | I | 90.5 | Very high | 81.2 | Confident | 24 Ų | 24 | 67 Ų | 67 | 12% | 0.123 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.4 | -41.8 | 175.4 | -68.7 | 165.6 | 0 | 0 | 0 | 110.9 | C330 T331 A336 V379 L383 Y393 | C330-I334 WeakPolarHBondContact O-CD1 3.43Å; C330-I334 VanDerWaalsContact O-CG1 3.23Å; C330-I334 WeakPolarHBondContact O-CG1 3.29Å; C330-I334 PolarHBondContact O-N 3.47Å; T331-I334 PolarHBondContact O-N 3.43Å; I334-A336 VanDerWaalsContact C-N 3.31Å; I334-V379 HydrophobicContact CD1-CG1 3.85Å; I334-V379 HydrophobicContact CG1-CG1 3.49Å; I334-V379 VanDerWaalsContact CG1-CG1 3.49Å; I334-L383 HydrophobicContact CD1-CB 4.12Å; I334-L383 HydrophobicContact CD1-CD1 4.31Å; I334-Y393 HydrophobicContact CG2-CD1 3.66Å; I334-Y393 HydrophobicContact CG2-CE1 3.18Å; I334-Y393 HydrophobicContact CG2-CE2 4.19Å; I334-Y393 HydrophobicContact CG2-CG 4.32Å; I334-Y393 VanDerWaalsContact CG2-CZ 3.48Å |
| 335 | S | 86.7 | Confident | 80.7 | Confident | 83 Ų | 83 | 67.1 Ų | 67.1 | 58% | 0.58 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -83.5 | -7.6 | -175.7 | -49.7 | 0 | 0 | 0 | 0 | 113.2 | T331 A332 E337 | T331-S335 WeakPolarHBondContact O-CB 3.49Å; T331-S335 PolarHBondContact O-N 2.88Å; T331-S335 PolarHBondContact O-OG 3.4Å; A332-S335 PolarHBondContact O-N 3.47Å; S335-E337 PolarHBondContact O-N 3.39Å |
| 336 | A | 87 | Confident | 80.5 | Confident | 18 Ų | 18 | 68.1 Ų | 68.1 | 15% | 0.149 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -72.5 | 119.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | C296 A332 I334 P347 | C296-A336 HydrophobicContact CB-CB 4.34Å; A332-A336 VanDerWaalsContact O-CB 3.32Å; A332-A336 WeakPolarHBondContact O-CB 3.28Å; A332-A336 PolarHBondContact O-N 2.71Å; I334-A336 VanDerWaalsContact C-N 3.31Å; A336-P347 HydrophobicContact CB-CB 4.18Å; A336-P347 HydrophobicContact CB-CG 3.67Å |
| 337 | E | 79.6 | Confident | 80.4 | Confident | 163 Ų | 163 | 63.3 Ų | 63.3 | 76% | 0.762 | 33% | 0.332 | S | S | * | . | P | Polyproline II helix | trans | -71.2 | 157.3 | 176.6 | -64.9 | -175.1 | 174.7 | 0 | 0 | 111.9 | S335 T339 | S335-E337 PolarHBondContact O-N 3.39Å; E337-T339 PolarHBondContact O-N 3.21Å |
| 338 | P | 73 | Confident | 80.4 | Confident | 57 Ų | 57 | 61.5 Ų | 61.5 | 37% | 0.37 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 126.5 | 172.8 | -22 | 32.4 | 0 | 0 | 0 | 111 | N340 | P338-N340 PolarHBondContact O-N 3.12Å; P338-N340 VanDerWaalsContact O-N 3.09Å |
| 339 | T | 63.8 | Low | 80.2 | Confident | 68 Ų | 68 | 62.7 Ų | 62.7 | 42% | 0.417 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -65.7 | -20.6 | -169.7 | -19.8 | 0 | 0 | 0 | 0 | 113.2 | V300 E337 | V300-T339 WeakPolarHBondContact CB-OG1 3.4Å; V300-T339 WeakPolarHBondContact CG2-OG1 3.27Å; E337-T339 PolarHBondContact O-N 3.21Å |
| 340 | N | 59 | Low | 80.1 | Confident | 81 Ų | 81 | 62.7 Ų | 62.7 | 43% | 0.433 | 33% | 0.328 | S | S | . | . | B | Isolated β-bridge | trans | -144 | 131.6 | -179.4 | -161.3 | -10.1 | 0 | 0 | 0 | 109.4 | P338 Q342 R343 | P338-N340 PolarHBondContact O-N 3.12Å; P338-N340 VanDerWaalsContact O-N 3.09Å; N340-Q342 PolarHBondContact O-N 3.48Å; N340-R343 CarbonylContact O-C 3.59Å; N340-R343 VanDerWaalsContact O-C 3.22Å; N340-R343 PolarHBondContact O-N 3.44Å |
| 341 | H | 53.5 | Low | 80.1 | Confident | 180 Ų | 180 | 62.7 Ų | 62.7 | 83% | 0.833 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -18 | -178.6 | -65.8 | 50 | 0 | 0 | 0 | 112.3 | ||
| 342 | Q | 54.3 | Low | 80.1 | Confident | 177 Ų | 177 | 60.1 Ų | 60.1 | 83% | 0.827 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -30 | 173.6 | -63.7 | -178.6 | -6.7 | 0 | 0 | 113.7 | N340 | N340-Q342 PolarHBondContact O-N 3.48Š|
| 343 | R | 55.7 | Low | 80.1 | Confident | 144 Ų | 144 | 63.8 Ų | 63.8 | 54% | 0.543 | 33% | 0.327 | S | S | . | . | B | Isolated β-bridge | trans | -109.8 | 99.2 | 174.6 | -72.1 | -163.9 | -168 | -158.8 | 5.4 | 108.1 | N340 T345 | N340-R343 CarbonylContact O-C 3.59Å; N340-R343 VanDerWaalsContact O-C 3.22Å; N340-R343 PolarHBondContact O-N 3.44Å; R343-T345 PolarHBondContact O-N 2.89Å |
| 344 | L | 65.1 | Low | 80.1 | Confident | 144 Ų | 144 | 64.5 Ų | 64.5 | 75% | 0.754 | 33% | 0.33 | S | S | * | . | trans | -63.7 | 1.2 | 176.2 | -62.5 | 172.1 | 0 | 0 | 0 | 113.6 | S346 | L344-S346 PolarHBondContact O-N 3.47Š| ||
| 345 | T | 79.6 | Confident | 80.4 | Confident | 25 Ų | 25 | 63.3 Ų | 63.3 | 15% | 0.153 | 32% | 0.324 | C | S | . | . | trans | -69.8 | 108.3 | 176.4 | -44.9 | 0 | 0 | 0 | 0 | 110.4 | R343 L349 A350 | R343-T345 PolarHBondContact O-N 2.89Å; T345-L349 HydrophobicContact CG2-CB 3.98Å; T345-A350 HydrophobicContact CG2-CB 4.07Å | ||
| 346 | S | 88.2 | Confident | 80.8 | Confident | 22 Ų | 22 | 61 Ų | 61 | 15% | 0.154 | 31% | 0.305 | C | S | . | . | trans | -71.5 | 158.7 | 167 | 68.3 | 0 | 0 | 0 | 0 | 110.6 | L344 L348 L349 A350 | L344-S346 PolarHBondContact O-N 3.47Å; S346-L348 PolarHBondContact O-N 3.17Å; S346-L349 PolarHBondContact O-N 3.15Å; S346-L349 WeakPolarHBondContact OG-CG 3.43Å; S346-L349 PolarHBondContact OG-N 2.88Å; S346-A350 PolarHBondContact O-N 2.63Å | ||
| 347 | P | 92.6 | Very high | 81.1 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.006 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -52.3 | -37.9 | 172.3 | -34.3 | 42.7 | 0 | 0 | 0 | 114.5 | C296 V300 L333 A336 A350 V351 | C296-P347 HydrophobicContact CB-CB 4.27Å; C296-P347 WeakPolarHBondContact O-CB 3.39Å; V300-P347 HydrophobicContact CG2-CB 4.38Å; V300-P347 HydrophobicContact CG2-CG 3.97Å; L333-P347 HydrophobicContact CD1-CB 3.56Å; A336-P347 HydrophobicContact CB-CB 4.18Å; A336-P347 HydrophobicContact CB-CG 3.67Å; P347-A350 PolarHBondContact O-N 3.04Å; P347-V351 WeakPolarHBondContact O-CG2 3.24Å; P347-V351 PolarHBondContact O-N 3.25Å |
| 348 | L | 92.8 | Very high | 81.7 | Confident | 7 Ų | 7 | 56 Ų | 56 | 4% | 0.037 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.8 | -43.4 | 174.8 | -178.2 | 60.3 | 0 | 0 | 0 | 111.9 | L333 S346 A350 V351 M352 L376 V379 V394 | L333-L348 HydrophobicContact CD2-CD1 4.23Å; S346-L348 PolarHBondContact O-N 3.17Å; L348-A350 VanDerWaalsContact C-N 3.35Å; L348-V351 PolarHBondContact O-N 3.15Å; L348-M352 WeakPolarHBondContact O-CG 3.42Å; L348-M352 PolarHBondContact O-N 2.89Å; L348-L376 HydrophobicContact CD1-CD1 3.87Å; L348-V379 HydrophobicContact CD1-CG1 4.03Å; L348-V394 HydrophobicContact CD2-CG2 3.9Å; L348-V394 HydrophobicContact CG-CG2 4.41Å |
| 349 | L | 90.3 | Very high | 82.5 | Confident | 50 Ų | 50 | 53.4 Ų | 53.4 | 26% | 0.262 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.5 | -36.3 | 175.9 | -69.2 | 176.2 | 0 | 0 | 0 | 111.9 | T345 S346 V351 M352 E353 | T345-L349 HydrophobicContact CG2-CB 3.98Å; S346-L349 PolarHBondContact O-N 3.15Å; S346-L349 WeakPolarHBondContact OG-CG 3.43Å; S346-L349 PolarHBondContact OG-N 2.88Å; L349-V351 VanDerWaalsContact C-N 3.3Å; L349-V351 PolarHBondContact O-N 3.33Å; L349-M352 HydrophobicContact CD2-SD 4.18Å; L349-M352 WeakPolarHBondContact O-CB 3.44Å; L349-M352 PolarHBondContact O-N 3.06Å; L349-M352 VanDerWaalsContact O-N 3.15Å; L349-E353 WeakPolarHBondContact O-CG 3.46Å; L349-E353 PolarHBondContact O-N 3.4Å |
| 350 | A | 92.6 | Very high | 83.6 | Confident | 3 Ų | 3 | 53.1 Ų | 53.1 | 3% | 0.025 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.1 | -37 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | F299 V300 T345 S346 P347 L348 E353 M354 | F299-A350 HydrophobicContact CB-CB 4.23Å; V300-A350 HydrophobicContact CG2-CB 3.93Å; T345-A350 HydrophobicContact CG2-CB 4.07Å; S346-A350 PolarHBondContact O-N 2.63Å; P347-A350 PolarHBondContact O-N 3.04Å; L348-A350 VanDerWaalsContact C-N 3.35Å; A350-E353 PolarHBondContact O-N 3.41Å; A350-M354 PolarHBondContact O-N 2.8Å |
| 351 | V | 95.9 | Very high | 85 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.2 | -42.7 | 171.8 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | F299 Y313 L333 P347 L348 L349 M354 A355 A372 V375 | F299-V351 HydrophobicContact CB-CG2 4.44Å; F299-V351 HydrophobicContact CD1-CG2 3.98Å; F299-V351 HydrophobicContact CD2-CG2 3.98Å; F299-V351 HydrophobicContact CE1-CG2 4.19Å; F299-V351 HydrophobicContact CE2-CG2 4.18Å; F299-V351 HydrophobicContact CG-CG2 3.88Å; F299-V351 HydrophobicContact CZ-CG2 4.28Å; Y313-V351 HydrophobicContact CE1-CG1 4.36Å; Y313-V351 HydrophobicContact CE1-CG2 4.3Å; L333-V351 HydrophobicContact CD2-CG2 4.34Å; P347-V351 WeakPolarHBondContact O-CG2 3.24Å; P347-V351 PolarHBondContact O-N 3.25Å; L348-V351 PolarHBondContact O-N 3.15Å; L349-V351 VanDerWaalsContact C-N 3.3Å; L349-V351 PolarHBondContact O-N 3.33Å; V351-M354 PolarHBondContact O-N 3.31Å; V351-A355 WeakPolarHBondContact O-CB 3.32Å; V351-A355 PolarHBondContact O-N 3.37Å; V351-A372 HydrophobicContact CG1-CB 4.22Å; V351-A372 WeakPolarHBondContact CG1-O 3.5Å; V351-V375 HydrophobicContact CG1-CB 4.07Å; V351-V375 HydrophobicContact CG1-CG1 3.87Å; V351-V375 HydrophobicContact CG2-CG1 4.3Å |
| 352 | M | 93.8 | Very high | 86.7 | Confident | 6 Ų | 6 | 48.5 Ų | 48.5 | 3% | 0.03 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.2 | -41.3 | 175.7 | -71.2 | -172.1 | 67.1 | 0 | 0 | 113.1 | L348 L349 M354 A355 N356 L376 V394 N398 L399 | L348-M352 WeakPolarHBondContact O-CG 3.42Å; L348-M352 PolarHBondContact O-N 2.89Å; L349-M352 HydrophobicContact CD2-SD 4.18Å; L349-M352 WeakPolarHBondContact O-CB 3.44Å; L349-M352 PolarHBondContact O-N 3.06Å; L349-M352 VanDerWaalsContact O-N 3.15Å; M352-M354 VanDerWaalsContact C-N 3.33Å; M352-M354 PolarHBondContact O-N 2.97Å; M352-A355 WeakPolarHBondContact O-CB 3.44Å; M352-A355 PolarHBondContact O-N 3.4Å; M352-N356 PolarHBondContact O-N 3.03Å; M352-L376 HydrophobicContact CG-CD1 3.96Å; M352-L376 HydrophobicContact CG-CD2 4.14Å; M352-V394 HydrophobicContact CE-CG1 3.35Å; M352-V394 HydrophobicContact SD-CB 4.12Å; M352-V394 HydrophobicContact SD-CG1 3.28Å; M352-V394 WeakPolarHBondContact SD-CG1 3.3Å; M352-V394 HydrophobicContact SD-CG2 3.61Å; M352-N398 HydrophobicContact CE-CB 3.79Å; M352-L399 HydrophobicContact CE-CD2 4.06Å; M352-L399 HydrophobicContact CE-CG 4.48Å |
| 353 | E | 92.9 | Very high | 88.3 | Confident | 87 Ų | 87 | 40.3 Ų | 40.3 | 41% | 0.407 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62 | -41.2 | 175.9 | -74.1 | 174.2 | -167.9 | 0 | 0 | 111.1 | Q303 L349 A350 N356 A357 | Q303-E353 PolarHBondContact NE2-OE2 3.36Å; L349-E353 WeakPolarHBondContact O-CG 3.46Å; L349-E353 PolarHBondContact O-N 3.4Å; A350-E353 PolarHBondContact O-N 3.41Å; E353-N356 PolarHBondContact O-N 3.06Å; E353-A357 PolarHBondContact O-N 3.08Å |
| 354 | M | 95.6 | Very high | 89.8 | Confident | 14 Ų | 14 | 34.1 Ų | 34.1 | 7% | 0.069 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.4 | -38.8 | 173.1 | -174.1 | 61.7 | 69 | 0 | 0 | 112.2 | L306 V309 Y313 A350 V351 M352 N356 A357 M362 L368 P369 A372 | L306-M354 HydrophobicContact CD2-CE 3.95Å; V309-M354 HydrophobicContact CG1-CE 4.32Å; Y313-M354 HydrophobicContact CE2-CG 4.11Å; Y313-M354 WeakPolarHBondContact OH-CB 3.48Å; Y313-M354 WeakPolarHBondContact OH-CG 3.32Å; A350-M354 PolarHBondContact O-N 2.8Å; V351-M354 PolarHBondContact O-N 3.31Å; M352-M354 VanDerWaalsContact C-N 3.33Å; M352-M354 PolarHBondContact O-N 2.97Å; M354-N356 VanDerWaalsContact C-N 3.31Å; M354-N356 PolarHBondContact O-N 3.42Å; M354-A357 WeakPolarHBondContact O-CB 3.43Å; M354-A357 PolarHBondContact O-N 3.44Å; M354-M362 HydrophobicContact CE-CE 4.27Å; M354-M362 HydrophobicContact SD-CE 3.46Å; M354-M362 WeakPolarHBondContact SD-CE 3.38Å; M354-L368 HydrophobicContact CE-CD2 4.2Å; M354-L368 HydrophobicContact CG-CD2 4.15Å; M354-L368 HydrophobicContact SD-CB 4.21Å; M354-L368 HydrophobicContact SD-CD2 4.06Å; M354-P369 WeakPolarHBondContact O-CA 3.42Å; M354-P369 WeakPolarHBondContact O-CB 3.17Å; M354-A372 HydrophobicContact CB-CB 3.85Å; M354-A372 HydrophobicContact CG-CB 3.76Å |
| 355 | A | 96.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.9 | -35.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V351 M352 A372 V373 L402 R424 | V351-A355 WeakPolarHBondContact O-CB 3.32Å; V351-A355 PolarHBondContact O-N 3.37Å; M352-A355 WeakPolarHBondContact O-CB 3.44Å; M352-A355 PolarHBondContact O-N 3.4Å; A355-A372 HydrophobicContact CB-CB 3.89Å; A355-V373 HydrophobicContact CB-CG2 3.78Å; A355-L402 HydrophobicContact CB-CD1 3.73Å; A355-L402 HydrophobicContact CB-CD2 4.26Å; A355-R424 PolarHBondContact O-NH2 3.07Å |
| 356 | N | 94.7 | Very high | 91.7 | Very high | 34 Ų | 34 | 27.4 Ų | 27.4 | 18% | 0.182 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -69.9 | -31.3 | 174.7 | -82.2 | -25.3 | 0 | 0 | 0 | 112.8 | M352 E353 M354 S358 L402 R424 | M352-N356 PolarHBondContact O-N 3.03Å; E353-N356 PolarHBondContact O-N 3.06Å; M354-N356 VanDerWaalsContact C-N 3.31Å; M354-N356 PolarHBondContact O-N 3.42Å; N356-S358 PolarHBondContact O-N 2.71Å; N356-L402 WeakPolarHBondContact OD1-CA 3.4Å; N356-L402 WeakPolarHBondContact OD1-CB 3.48Å; N356-L402 WeakPolarHBondContact OD1-CD1 3.42Å; N356-R424 PolarHBondContact O-NH2 3.31Å |
| 357 | A | 93.6 | Very high | 92 | Very high | 33 Ų | 33 | 29.3 Ų | 29.3 | 27% | 0.273 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -56.4 | 131.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113 | E353 M354 M362 P369 R424 | E353-A357 PolarHBondContact O-N 3.08Å; M354-A357 WeakPolarHBondContact O-CB 3.43Å; M354-A357 PolarHBondContact O-N 3.44Å; A357-M362 HydrophobicContact CB-SD 4.03Å; A357-P369 HydrophobicContact CB-CG 4.31Å; A357-P369 WeakPolarHBondContact O-CB 3.45Å; A357-P369 WeakPolarHBondContact O-CG 3.41Å; A357-R424 PolarHBondContact O-NH1 2.97Å |
| 358 | S | 91.2 | Very high | 92.1 | Very high | 43 Ų | 43 | 29.3 Ų | 29.3 | 30% | 0.301 | 17% | 0.165 | S | C | . | . | trans | -68.2 | 136 | -179.4 | 176.9 | 0 | 0 | 0 | 0 | 112.2 | N356 D360 L361 M362 | N356-S358 PolarHBondContact O-N 2.71Å; S358-D360 PolarHBondContact O-N 2.95Å; S358-D360 PolarHBondContact OG-N 3.19Å; S358-D360 PolarHBondContact OG-OD2 3.11Å; S358-L361 PolarHBondContact O-N 3.19Å; S358-M362 WeakPolarHBondContact O-CG 3.2Å | ||
| 359 | P | 90.5 | Very high | 92.3 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.013 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -63.4 | -27.5 | -178.5 | -17.8 | 35.4 | 0 | 0 | 0 | 112.2 | L361 M362 L417 R424 | P359-L361 PolarHBondContact O-N 3.19Å; P359-M362 PolarHBondContact O-N 2.87Å; P359-L417 HydrophobicContact CB-CD1 4.41Å; P359-R424 VanDerWaalsContact CD-NH1 3.26Å |
| 360 | D | 87.7 | Confident | 92.6 | Very high | 63 Ų | 63 | 26.9 Ų | 26.9 | 34% | 0.337 | 15% | 0.152 | S | C | . | . | G | 310 helix | trans | -65.1 | -22.6 | 178.4 | -60.4 | -61.4 | 0 | 0 | 0 | 112.4 | I47 S358 K421 | I47-D360 WeakPolarHBondContact CD1-O 3.26Å; S358-D360 PolarHBondContact O-N 2.95Å; S358-D360 PolarHBondContact OG-N 3.19Å; S358-D360 PolarHBondContact OG-OD2 3.11Å; D360-K421 VanDerWaalsContact CG-NZ 3.29Å; D360-K421 WeakPolarHBondContact OD1-CE 3.45Å; D360-K421 IonicContact OD1-NZ 2.72Å; D360-K421 PolarHBondContact OD1-NZ 3.32Å; D360-K421 WeakPolarHBondContact OD2-CE 3.28Å; D360-K421 IonicContact OD2-NZ 3.25Å; D360-K421 PolarHBondContact OD2-NZ 2.91Å |
| 361 | L | 87.8 | Confident | 92.9 | Very high | 147 Ų | 147 | 29 Ų | 29 | 77% | 0.77 | 16% | 0.161 | S | C | * | . | G | 310 helix | trans | -97 | -1 | -177.3 | -60.9 | 178.7 | 0 | 0 | 0 | 113.4 | S358 P359 | S358-L361 PolarHBondContact O-N 3.19Å; P359-L361 PolarHBondContact O-N 3.19Å |
| 362 | M | 89.1 | Confident | 93 | Very high | 17 Ų | 17 | 29 Ų | 29 | 8% | 0.084 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -94.4 | -0.5 | -172.1 | -60.1 | -58.7 | -70.7 | 0 | 0 | 114.1 | L306 M354 A357 S358 P359 G364 F365 L368 P369 | L306-M362 HydrophobicContact CD1-CE 3.88Å; L306-M362 HydrophobicContact CD2-CE 3.56Å; L306-M362 HydrophobicContact CG-CE 4.37Å; M354-M362 HydrophobicContact CE-CE 4.27Å; M354-M362 HydrophobicContact SD-CE 3.46Å; M354-M362 WeakPolarHBondContact SD-CE 3.38Å; A357-M362 HydrophobicContact CB-SD 4.03Å; S358-M362 WeakPolarHBondContact O-CG 3.2Å; P359-M362 PolarHBondContact O-N 2.87Å; M362-G364 PolarHBondContact O-N 3.28Å; M362-F365 HydrophobicContact CB-CB 4.41Å; M362-F365 VanDerWaalsContact CB-O 3.31Å; M362-F365 WeakPolarHBondContact CB-O 3.39Å; M362-F365 WeakPolarHBondContact O-CB 3.37Å; M362-F365 PolarHBondContact O-N 3.5Å; M362-F365 VanDerWaalsContact O-N 3.12Å; M362-L368 HydrophobicContact CE-CB 4.06Å; M362-P369 HydrophobicContact CE-CG 4.46Å; M362-P369 HydrophobicContact CG-CG 3.7Å; M362-P369 HydrophobicContact SD-CG 4.33Å |
| 363 | G | 86.8 | Confident | 93.2 | Very high | 4 Ų | 4 | 28.7 Ų | 28.7 | 4% | 0.041 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | 58.7 | -130.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | K44 V46 F365 | K44-G363 WeakPolarHBondContact O-CA 3.19Å; V46-G363 CarbonylContact O-C 3.5Å; V46-G363 WeakPolarHBondContact O-CA 3.4Å; G363-F365 PolarHBondContact O-N 3.33Å |
| 364 | G | 87.2 | Confident | 93.5 | Very high | 14 Ų | 14 | 26.8 Ų | 26.8 | 14% | 0.144 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -72.3 | 7.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | V46 N93 M362 | V46-G364 PolarHBondContact O-N 3.27Å; N93-G364 PolarHBondContact ND2-N 3.24Å; N93-G364 VanDerWaalsContact ND2-N 3.17Å; N93-G364 WeakPolarHBondContact OD1-CA 3.09Å; M362-G364 PolarHBondContact O-N 3.28Å |
| 365 | F | 93.3 | Very high | 93.6 | Very high | 21 Ų | 21 | 26.1 Ų | 26.1 | 9% | 0.092 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -118.3 | 35.7 | -178.1 | -62.4 | -75.3 | 0 | 0 | 0 | 111.5 | P94 L306 N307 F310 M362 G363 D367 L368 | P94-F365 HydrophobicContact CG-CD1 4.31Å; P94-F365 HydrophobicContact CG-CE1 3.78Å; P94-F365 HydrophobicContact CG-CZ 3.93Å; L306-F365 HydrophobicContact CB-CD2 3.73Å; L306-F365 HydrophobicContact CB-CE2 4Å; L306-F365 HydrophobicContact CB-CG 4.15Å; L306-F365 HydrophobicContact CD1-CD2 4.29Å; N307-F365 VanDerWaalsContact CA-CZ 3.44Å; N307-F365 HydrophobicContact CB-CE2 4.34Å; N307-F365 HydrophobicContact CB-CZ 3.83Å; F310-F365 HydrophobicContact CB-CD1 4.03Å; F310-F365 HydrophobicContact CB-CE1 4.24Å; F310-F365 HydrophobicContact CD1-CD1 4.32Å; F310-F365 AromaticContact CD1-CE1 3.66Å; F310-F365 HydrophobicContact CD1-CE1 3.66Å; F310-F365 HydrophobicContact CE1-CE1 4.23Å; F310-F365 HydrophobicContact CG-CD1 4.24Å; F310-F365 AromaticContact CG-CE1 3.99Å; F310-F365 HydrophobicContact CG-CE1 3.99Å; M362-F365 HydrophobicContact CB-CB 4.41Å; M362-F365 VanDerWaalsContact CB-O 3.31Å; M362-F365 WeakPolarHBondContact CB-O 3.39Å; M362-F365 WeakPolarHBondContact O-CB 3.37Å; M362-F365 PolarHBondContact O-N 3.5Å; M362-F365 VanDerWaalsContact O-N 3.12Å; G363-F365 PolarHBondContact O-N 3.33Å; F365-D367 PolarHBondContact O-N 2.91Å; F365-D367 VanDerWaalsContact O-N 3.15Å; F365-L368 HydrophobicContact CB-CD1 3.55Å; F365-L368 HydrophobicContact CD1-CD1 3.9Å; F365-L368 HydrophobicContact CG-CD1 3.96Å; F365-L368 WeakPolarHBondContact O-CB 3.46Å; F365-L368 PolarHBondContact O-N 2.75Å; F365-L368 VanDerWaalsContact O-N 3.14Å |
| 366 | S | 92.2 | Very high | 93.6 | Very high | 8 Ų | 8 | 26.1 Ų | 26.1 | 6% | 0.056 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -18.7 | -176 | 57.4 | 0 | 0 | 0 | 0 | 114.5 | ||
| 367 | D | 93.6 | Very high | 93.7 | Very high | 61 Ų | 61 | 26.7 Ų | 26.7 | 33% | 0.326 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -22.4 | 175.9 | -67.4 | -51.5 | 0 | 0 | 0 | 113.6 | F365 I370 E371 R419 Q420 | F365-D367 PolarHBondContact O-N 2.91Å; F365-D367 VanDerWaalsContact O-N 3.15Å; D367-I370 WeakPolarHBondContact O-CA 3.41Å; D367-I370 WeakPolarHBondContact O-CB 3.28Å; D367-I370 PolarHBondContact O-N 2.88Å; D367-E371 WeakPolarHBondContact O-CG 3.46Å; D367-E371 PolarHBondContact O-N 3.33Å; D367-R419 IonicContact OD1-NH1 2.78Å; D367-Q420 WeakPolarHBondContact OD1-CG 3.42Å |
| 368 | L | 95.7 | Very high | 93.8 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.01 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -56.6 | -44.4 | -172.9 | -109.5 | 149.2 | 0 | 0 | 0 | 114.5 | V309 F310 Y313 M354 M362 F365 I370 E371 A372 | V309-L368 HydrophobicContact CG1-CD1 4.4Å; V309-L368 HydrophobicContact CG1-CD2 4.08Å; F310-L368 HydrophobicContact CB-CD1 3.57Å; F310-L368 HydrophobicContact CB-CG 4.11Å; Y313-L368 HydrophobicContact CD2-CD2 3.23Å; Y313-L368 HydrophobicContact CE2-CD2 3.43Å; Y313-L368 VanDerWaalsContact CE2-CD2 3.43Å; Y313-L368 HydrophobicContact CG-CD2 3.98Å; M354-L368 HydrophobicContact CE-CD2 4.2Å; M354-L368 HydrophobicContact CG-CD2 4.15Å; M354-L368 HydrophobicContact SD-CB 4.21Å; M354-L368 HydrophobicContact SD-CD2 4.06Å; M362-L368 HydrophobicContact CE-CB 4.06Å; F365-L368 HydrophobicContact CB-CD1 3.55Å; F365-L368 HydrophobicContact CD1-CD1 3.9Å; F365-L368 HydrophobicContact CG-CD1 3.96Å; F365-L368 WeakPolarHBondContact O-CB 3.46Å; F365-L368 PolarHBondContact O-N 2.75Å; F365-L368 VanDerWaalsContact O-N 3.14Å; L368-I370 PolarHBondContact O-N 3.39Å; L368-E371 PolarHBondContact O-N 2.77Å; L368-A372 WeakPolarHBondContact O-CB 3.46Å; L368-A372 PolarHBondContact O-N 2.9Å |
| 369 | P | 96.9 | Very high | 94 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.9 | -33.1 | 175.2 | -25.4 | 35.9 | 0 | 0 | 0 | 112.9 | M354 A357 M362 A372 V373 | M354-P369 WeakPolarHBondContact O-CA 3.42Å; M354-P369 WeakPolarHBondContact O-CB 3.17Å; A357-P369 HydrophobicContact CB-CG 4.31Å; A357-P369 WeakPolarHBondContact O-CB 3.45Å; A357-P369 WeakPolarHBondContact O-CG 3.41Å; M362-P369 HydrophobicContact CE-CG 4.46Å; M362-P369 HydrophobicContact CG-CG 3.7Å; M362-P369 HydrophobicContact SD-CG 4.33Å; P369-A372 PolarHBondContact O-N 3.45Å; P369-V373 WeakPolarHBondContact O-CG2 3.34Å; P369-V373 PolarHBondContact O-N 2.88Å; P369-V373 VanDerWaalsContact O-N 3.08Å |
| 370 | I | 97.7 | Very high | 94.2 | Very high | 5 Ų | 5 | 25.2 Ų | 25.2 | 3% | 0.026 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -74.2 | -44.3 | 179.8 | -59.3 | 153.5 | 0 | 0 | 0 | 109.7 | D367 L368 A372 V373 Q374 Q420 L423 R424 E427 | D367-I370 WeakPolarHBondContact O-CA 3.41Å; D367-I370 WeakPolarHBondContact O-CB 3.28Å; D367-I370 PolarHBondContact O-N 2.88Å; L368-I370 PolarHBondContact O-N 3.39Å; I370-A372 PolarHBondContact O-N 2.88Å; I370-V373 PolarHBondContact O-N 3.43Å; I370-V373 VanDerWaalsContact O-N 3.15Å; I370-Q374 WeakPolarHBondContact O-CG 3.38Å; I370-Q374 PolarHBondContact O-N 2.9Å; I370-Q420 HydrophobicContact CD1-CB 3.74Å; I370-Q420 HydrophobicContact CD1-CG 4.18Å; I370-Q420 WeakPolarHBondContact CD1-O 3.29Å; I370-L423 HydrophobicContact CD1-CB 4.13Å; I370-L423 HydrophobicContact CG2-CB 3.98Å; I370-R424 HydrophobicContact CG1-CB 3.93Å; I370-E427 HydrophobicContact CG2-CG 4.06Å |
| 371 | E | 97.9 | Very high | 94.6 | Very high | 48 Ų | 48 | 24 Ų | 24 | 22% | 0.224 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -56.6 | -39 | 171.8 | -70.4 | 179.3 | 160 | 0 | 0 | 111 | Y313 L317 D367 L368 Q374 V375 | Y313-E371 HydrophobicContact CD1-CB 4.29Å; L317-E371 HydrophobicContact CD1-CB 3.65Å; L317-E371 HydrophobicContact CD1-CG 3.68Å; D367-E371 WeakPolarHBondContact O-CG 3.46Å; D367-E371 PolarHBondContact O-N 3.33Å; L368-E371 PolarHBondContact O-N 2.77Å; E371-Q374 WeakPolarHBondContact O-CB 3.4Å; E371-Q374 PolarHBondContact O-N 3.16Å; E371-V375 WeakPolarHBondContact O-CG2 3.46Å; E371-V375 PolarHBondContact O-N 3.39Å |
| 372 | A | 98 | Very high | 94.9 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -66.5 | -39.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y313 V351 M354 A355 L368 P369 I370 Q374 V375 L376 | Y313-A372 HydrophobicContact CD1-CB 4.43Å; Y313-A372 HydrophobicContact CE1-CB 3.6Å; V351-A372 HydrophobicContact CG1-CB 4.22Å; V351-A372 WeakPolarHBondContact CG1-O 3.5Å; M354-A372 HydrophobicContact CB-CB 3.85Å; M354-A372 HydrophobicContact CG-CB 3.76Å; A355-A372 HydrophobicContact CB-CB 3.89Å; L368-A372 WeakPolarHBondContact O-CB 3.46Å; L368-A372 PolarHBondContact O-N 2.9Å; P369-A372 PolarHBondContact O-N 3.45Å; I370-A372 PolarHBondContact O-N 2.88Å; A372-Q374 VanDerWaalsContact C-N 3.3Å; A372-Q374 PolarHBondContact O-N 3.35Å; A372-V375 PolarHBondContact O-N 3.38Å; A372-L376 WeakPolarHBondContact O-CB 3.39Å; A372-L376 PolarHBondContact O-N 3.14Å |
| 373 | V | 98.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62 | -39.5 | 171.1 | 177.6 | 0 | 0 | 0 | 0 | 110.8 | A355 P369 I370 L376 R377 E427 L431 | A355-V373 HydrophobicContact CB-CG2 3.78Å; P369-V373 WeakPolarHBondContact O-CG2 3.34Å; P369-V373 PolarHBondContact O-N 2.88Å; P369-V373 VanDerWaalsContact O-N 3.08Å; I370-V373 PolarHBondContact O-N 3.43Å; I370-V373 VanDerWaalsContact O-N 3.15Å; V373-L376 PolarHBondContact O-N 3.43Å; V373-R377 WeakPolarHBondContact O-CB 3.2Å; V373-R377 PolarHBondContact O-N 2.9Å; V373-E427 HydrophobicContact CB-CB 4.29Å; V373-E427 HydrophobicContact CG1-CB 3.7Å; V373-L431 HydrophobicContact CG1-CB 4.48Å; V373-L431 HydrophobicContact CG1-CD2 4.16Å |
| 374 | Q | 97.8 | Very high | 95.4 | Very high | 47 Ų | 47 | 22 Ų | 22 | 22% | 0.22 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.4 | -45.7 | 176.1 | -72.8 | 176.1 | -10.7 | 0 | 0 | 112.2 | L317 I370 E371 A372 R377 F378 E427 | L317-Q374 HydrophobicContact CD2-CB 3.78Å; I370-Q374 WeakPolarHBondContact O-CG 3.38Å; I370-Q374 PolarHBondContact O-N 2.9Å; E371-Q374 WeakPolarHBondContact O-CB 3.4Å; E371-Q374 PolarHBondContact O-N 3.16Å; A372-Q374 VanDerWaalsContact C-N 3.3Å; A372-Q374 PolarHBondContact O-N 3.35Å; Q374-R377 PolarHBondContact O-N 3.41Å; Q374-F378 WeakPolarHBondContact O-CD2 3.41Å; Q374-F378 WeakPolarHBondContact O-CG 3.39Å; Q374-F378 PolarHBondContact O-N 2.93Å; Q374-E427 HydrophobicContact CG-CG 3.83Å; Q374-E427 WeakPolarHBondContact CG-OE1 3.39Å; Q374-E427 PolarHBondContact NE2-OE1 3.13Å |
| 375 | V | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58 | -49.5 | 174.2 | 171.4 | 0 | 0 | 0 | 0 | 110.2 | Y313 F316 L317 L333 V351 E371 A372 R377 F378 V379 | Y313-V375 HydrophobicContact CD1-CG2 3.88Å; Y313-V375 HydrophobicContact CE1-CG2 4.27Å; F316-V375 HydrophobicContact CB-CG2 4.47Å; F316-V375 HydrophobicContact CD1-CB 4.33Å; F316-V375 HydrophobicContact CD1-CG1 3.87Å; F316-V375 HydrophobicContact CD1-CG2 3.74Å; F316-V375 HydrophobicContact CE1-CB 4.42Å; F316-V375 HydrophobicContact CE1-CG1 3.7Å; F316-V375 HydrophobicContact CE1-CG2 4.3Å; F316-V375 HydrophobicContact CG-CG1 4.36Å; F316-V375 HydrophobicContact CG-CG2 4.26Å; F316-V375 HydrophobicContact CZ-CG1 4.05Å; L317-V375 HydrophobicContact CD2-CG2 3.69Å; L317-V375 HydrophobicContact CG-CG2 3.97Å; L333-V375 HydrophobicContact CD2-CG1 3.98Å; V351-V375 HydrophobicContact CG1-CB 4.07Å; V351-V375 HydrophobicContact CG1-CG1 3.87Å; V351-V375 HydrophobicContact CG2-CG1 4.3Å; E371-V375 WeakPolarHBondContact O-CG2 3.46Å; E371-V375 PolarHBondContact O-N 3.39Å; A372-V375 PolarHBondContact O-N 3.38Å; V375-R377 VanDerWaalsContact C-N 3.3Å; V375-R377 PolarHBondContact O-N 2.86Å; V375-F378 PolarHBondContact O-N 3.39Å; V375-F378 VanDerWaalsContact O-N 3.16Å; V375-V379 HydrophobicContact CG1-CG2 4.2Å; V375-V379 WeakPolarHBondContact O-CG2 3.33Å; V375-V379 PolarHBondContact O-N 3.32Å |
| 376 | L | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.6 | -42.9 | 178.7 | -174.9 | 64.7 | 0 | 0 | 0 | 111.5 | L348 M352 A372 V373 F378 V379 L380 L402 L431 | L348-L376 HydrophobicContact CD1-CD1 3.87Å; M352-L376 HydrophobicContact CG-CD1 3.96Å; M352-L376 HydrophobicContact CG-CD2 4.14Å; A372-L376 WeakPolarHBondContact O-CB 3.39Å; A372-L376 PolarHBondContact O-N 3.14Å; V373-L376 PolarHBondContact O-N 3.43Å; L376-F378 PolarHBondContact O-N 2.76Å; L376-V379 PolarHBondContact O-N 3.41Å; L376-L380 HydrophobicContact CD1-CD1 4.26Å; L376-L380 HydrophobicContact CD1-CG 4.12Å; L376-L380 HydrophobicContact CG-CD1 4.14Å; L376-L380 HydrophobicContact CG-CG 4.3Å; L376-L380 WeakPolarHBondContact O-CB 3.49Å; L376-L380 WeakPolarHBondContact O-CG 3.39Å; L376-L380 PolarHBondContact O-N 2.65Å; L376-L402 HydrophobicContact CD2-CD2 3.38Å; L376-L431 HydrophobicContact CD2-CD2 3.95Å; L376-L431 HydrophobicContact CG-CD1 4.48Å |
| 377 | R | 96.5 | Very high | 95.1 | Very high | 46 Ų | 46 | 32.8 Ų | 32.8 | 17% | 0.174 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.5 | -44.6 | 176.4 | -175.9 | 171.4 | 57.4 | 70.4 | -1.6 | 111.9 | V373 Q374 V375 V379 T381 E427 L431 L434 | V373-R377 WeakPolarHBondContact O-CB 3.2Å; V373-R377 PolarHBondContact O-N 2.9Å; Q374-R377 PolarHBondContact O-N 3.41Å; V375-R377 VanDerWaalsContact C-N 3.3Å; V375-R377 PolarHBondContact O-N 2.86Å; R377-V379 VanDerWaalsContact C-N 3.34Å; R377-T381 WeakPolarHBondContact O-CB 3.47Å; R377-T381 PolarHBondContact O-N 2.91Å; R377-T381 PolarHBondContact O-OG1 2.83Å; R377-E427 IonicContact CZ-OE2 3.59Å; R377-E427 IonicContact NE-OE2 3.43Å; R377-E427 PolarHBondContact NE-OE2 3.2Å; R377-E427 IonicContact NH2-OE1 3.45Å; R377-E427 IonicContact NH2-OE2 3.7Å; R377-E427 PolarHBondContact NH2-OE2 3.49Å; R377-L431 HydrophobicContact CB-CD1 4.17Å; R377-L434 HydrophobicContact CG-CD2 3.99Å; R377-L434 WeakPolarHBondContact O-CD2 3.45Å |
| 378 | F | 96 | Very high | 94.9 | Very high | 44 Ų | 44 | 31 Ų | 31 | 19% | 0.193 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.9 | -42.3 | 176.5 | -66.3 | -32.4 | 0 | 0 | 0 | 112.2 | L317 C320 Q374 V375 L376 T381 R382 | L317-F378 HydrophobicContact CD2-CD2 4.06Å; L317-F378 HydrophobicContact CD2-CE2 3.69Å; C320-F378 HydrophobicContact CB-CD2 3.88Å; C320-F378 HydrophobicContact CB-CE2 3.98Å; Q374-F378 WeakPolarHBondContact O-CD2 3.41Å; Q374-F378 WeakPolarHBondContact O-CG 3.39Å; Q374-F378 PolarHBondContact O-N 2.93Å; V375-F378 PolarHBondContact O-N 3.39Å; V375-F378 VanDerWaalsContact O-N 3.16Å; L376-F378 PolarHBondContact O-N 2.76Å; F378-T381 PolarHBondContact O-N 2.9Å; F378-R382 PolarHBondContact O-N 3.23Å |
| 379 | V | 96.1 | Very high | 94.5 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.7 | -47.3 | -178.6 | 175.5 | 0 | 0 | 0 | 0 | 111.4 | F316 C330 L333 I334 L348 V375 L376 R377 T381 R382 L383 | F316-V379 HydrophobicContact CE1-CG2 4.4Å; F316-V379 HydrophobicContact CZ-CG2 3.97Å; C330-V379 HydrophobicContact CB-CG2 4.37Å; L333-V379 HydrophobicContact CD2-CG2 3.53Å; I334-V379 HydrophobicContact CD1-CG1 3.85Å; I334-V379 HydrophobicContact CG1-CG1 3.49Å; I334-V379 VanDerWaalsContact CG1-CG1 3.49Å; L348-V379 HydrophobicContact CD1-CG1 4.03Å; V375-V379 HydrophobicContact CG1-CG2 4.2Å; V375-V379 WeakPolarHBondContact O-CG2 3.33Å; V375-V379 PolarHBondContact O-N 3.32Å; L376-V379 PolarHBondContact O-N 3.41Å; R377-V379 VanDerWaalsContact C-N 3.34Å; V379-T381 VanDerWaalsContact C-N 3.31Å; V379-T381 PolarHBondContact O-N 3.02Å; V379-R382 PolarHBondContact O-N 3.22Å; V379-L383 PolarHBondContact O-N 3.38Å |
| 380 | L | 95.6 | Very high | 94.3 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.1 | -31.2 | 177.2 | -64.7 | -172.5 | 0 | 0 | 0 | 112.3 | L376 R382 L383 L384 I390 L399 L431 L434 I435 | L376-L380 HydrophobicContact CD1-CD1 4.26Å; L376-L380 HydrophobicContact CD1-CG 4.12Å; L376-L380 HydrophobicContact CG-CD1 4.14Å; L376-L380 HydrophobicContact CG-CG 4.3Å; L376-L380 WeakPolarHBondContact O-CB 3.49Å; L376-L380 WeakPolarHBondContact O-CG 3.39Å; L376-L380 PolarHBondContact O-N 2.65Å; L380-R382 VanDerWaalsContact C-N 3.34Å; L380-L383 HydrophobicContact CD2-CD2 4.21Å; L380-L383 PolarHBondContact O-N 2.7Å; L380-L384 WeakPolarHBondContact O-CG 3.39Å; L380-L384 PolarHBondContact O-N 2.92Å; L380-I390 HydrophobicContact CD2-CG1 4.35Å; L380-I390 HydrophobicContact CD2-CG2 4.1Å; L380-L399 HydrophobicContact CD1-CD2 4.24Å; L380-L431 HydrophobicContact CD1-CD1 3.99Å; L380-L434 HydrophobicContact CB-CD2 3.88Å; L380-I435 HydrophobicContact CD1-CD1 4.43Å; L380-I435 HydrophobicContact CD1-CG1 4.25Å |
| 381 | T | 95.1 | Very high | 94 | Very high | 38 Ų | 38 | 41.6 Ų | 41.6 | 23% | 0.233 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.3 | -48.8 | 173.1 | -58 | 0 | 0 | 0 | 0 | 109.4 | R377 F378 V379 L383 L384 D385 L434 | R377-T381 WeakPolarHBondContact O-CB 3.47Å; R377-T381 PolarHBondContact O-N 2.91Å; R377-T381 PolarHBondContact O-OG1 2.83Å; F378-T381 PolarHBondContact O-N 2.9Å; V379-T381 VanDerWaalsContact C-N 3.31Å; V379-T381 PolarHBondContact O-N 3.02Å; T381-L383 VanDerWaalsContact C-N 3.33Å; T381-L383 PolarHBondContact O-N 3.31Å; T381-L384 PolarHBondContact O-N 3.34Å; T381-D385 PolarHBondContact O-N 3.23Å; T381-L434 HydrophobicContact CG2-CD1 4.43Å; T381-L434 VanDerWaalsContact OG1-CD2 3.24Å; T381-L434 WeakPolarHBondContact OG1-CD2 3.19Å |
| 382 | R | 93.6 | Very high | 93.6 | Very high | 77 Ų | 77 | 43.7 Ų | 43.7 | 29% | 0.291 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61 | -42.1 | 177.1 | 178.3 | 56.6 | -178 | 155.7 | 0.6 | 112.4 | C330 F378 V379 L380 L384 D385 V386 | C330-R382 HydrophobicContact CB-CB 3.71Å; C330-R382 HydrophobicContact CB-CG 3.81Å; F378-R382 PolarHBondContact O-N 3.23Å; V379-R382 PolarHBondContact O-N 3.22Å; L380-R382 VanDerWaalsContact C-N 3.34Å; R382-L384 VanDerWaalsContact C-N 3.33Å; R382-L384 PolarHBondContact O-N 2.97Å; R382-D385 PolarHBondContact O-N 3.47Å; R382-V386 VanDerWaalsContact NH1-CG2 3.27Å; R382-V386 WeakPolarHBondContact O-CG2 3.41Å; R382-V386 PolarHBondContact O-N 3.38Å |
| 383 | L | 93.3 | Very high | 93.1 | Very high | 11 Ų | 11 | 48.9 Ų | 48.9 | 6% | 0.058 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.1 | -46.1 | 179 | -178.1 | 64.1 | 0 | 0 | 0 | 111.6 | I334 V379 L380 T381 V386 G387 G388 I390 Y393 | I334-L383 HydrophobicContact CD1-CB 4.12Å; I334-L383 HydrophobicContact CD1-CD1 4.31Å; V379-L383 PolarHBondContact O-N 3.38Å; L380-L383 HydrophobicContact CD2-CD2 4.21Å; L380-L383 PolarHBondContact O-N 2.7Å; T381-L383 VanDerWaalsContact C-N 3.33Å; T381-L383 PolarHBondContact O-N 3.31Å; L383-V386 PolarHBondContact O-N 3.42Å; L383-G387 PolarHBondContact O-N 3.07Å; L383-G388 PolarHBondContact O-N 3.08Å; L383-I390 HydrophobicContact CD2-CB 4.48Å; L383-I390 HydrophobicContact CD2-CG1 4.14Å; L383-Y393 HydrophobicContact CD1-CD2 3.92Å; L383-Y393 HydrophobicContact CD1-CE2 3.52Å; L383-Y393 HydrophobicContact CD2-CD2 3.77Å; L383-Y393 HydrophobicContact CD2-CE2 4.24Å |
| 384 | L | 92.6 | Very high | 92.6 | Very high | 37 Ų | 37 | 49 Ų | 49 | 19% | 0.194 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.7 | -38.6 | 178 | -69.8 | 173.3 | 0 | 0 | 0 | 112.2 | L380 T381 R382 V386 G387 I390 L434 R437 D438 | L380-L384 WeakPolarHBondContact O-CG 3.39Å; L380-L384 PolarHBondContact O-N 2.92Å; T381-L384 PolarHBondContact O-N 3.34Å; R382-L384 VanDerWaalsContact C-N 3.33Å; R382-L384 PolarHBondContact O-N 2.97Å; L384-V386 PolarHBondContact O-N 3.41Å; L384-G387 PolarHBondContact O-N 3.15Å; L384-I390 HydrophobicContact CD1-CD1 4.06Å; L384-I390 HydrophobicContact CD2-CD1 3.98Å; L384-I390 HydrophobicContact CD2-CG1 4.07Å; L384-I390 HydrophobicContact CG-CD1 4.17Å; L384-I390 HydrophobicContact CG-CG1 4.36Å; L384-L434 HydrophobicContact CD1-CD1 3.8Å; L384-L434 HydrophobicContact CD1-CG 4.02Å; L384-R437 HydrophobicContact CD1-CB 4.43Å; L384-D438 HydrophobicContact CD2-CB 4.18Å |
| 385 | D | 91.5 | Very high | 92.3 | Very high | 110 Ų | 110 | 49.2 Ų | 49.2 | 59% | 0.588 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -63.3 | -29.2 | 177.8 | -69.7 | -20.6 | 0 | 0 | 0 | 112.8 | T381 R382 G387 | T381-D385 PolarHBondContact O-N 3.23Å; R382-D385 PolarHBondContact O-N 3.47Å; D385-G387 VanDerWaalsContact C-N 3.32Å |
| 386 | V | 89.5 | Confident | 92.1 | Very high | 94 Ų | 94 | 50.2 Ų | 50.2 | 57% | 0.57 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -7.1 | 175.3 | -177 | 0 | 0 | 0 | 0 | 112 | R382 L383 L384 | R382-V386 VanDerWaalsContact NH1-CG2 3.27Å; R382-V386 WeakPolarHBondContact O-CG2 3.41Å; R382-V386 PolarHBondContact O-N 3.38Å; L383-V386 PolarHBondContact O-N 3.42Å; L384-V386 PolarHBondContact O-N 3.41Å |
| 387 | G | 87.1 | Confident | 92 | Very high | 66 Ų | 66 | 57.8 Ų | 57.8 | 68% | 0.68 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.6 | 19.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114 | L383 L384 D385 | L383-G387 PolarHBondContact O-N 3.07Å; L384-G387 PolarHBondContact O-N 3.15Å; D385-G387 VanDerWaalsContact C-N 3.32Å |
| 388 | G | 87.7 | Confident | 91.8 | Very high | 25 Ų | 25 | 58.7 Ų | 58.7 | 26% | 0.258 | 32% | 0.316 | S | S | . | . | trans | -74.3 | 155.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112 | L383 | L383-G388 PolarHBondContact O-N 3.08Š| ||
| 389 | R | 88.8 | Confident | 91.8 | Very high | 149 Ų | 149 | 56.6 Ų | 56.6 | 56% | 0.562 | 31% | 0.307 | S | S | * | . | trans | -93.7 | 134.1 | 174.7 | -55.8 | -178.7 | -63.1 | -179 | 4.7 | 109.9 | L391 D392 | R389-L391 VanDerWaalsContact C-N 3.26Å; R389-L391 PolarHBondContact O-N 2.9Å; R389-D392 WeakPolarHBondContact CB-OD2 3.24Å; R389-D392 IonicContact CZ-OD1 3.41Å; R389-D392 IonicContact CZ-OD2 3.89Å; R389-D392 IonicContact NE-OD1 2.6Å; R389-D392 PolarHBondContact NE-OD1 3.37Å; R389-D392 IonicContact NE-OD2 3.85Å; R389-D392 PolarHBondContact NE-OD2 2.95Å; R389-D392 IonicContact NH2-OD1 3.52Å; R389-D392 PolarHBondContact NH2-OD1 2.92Å; R389-D392 IonicContact NH2-OD2 3.52Å; R389-D392 PolarHBondContact NH2-OD2 3.35Å; R389-D392 PolarHBondContact O-N 3.23Å | ||
| 390 | I | 91.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -62.3 | -39.1 | -179.6 | -64.8 | 169.4 | 0 | 0 | 0 | 111 | L380 L383 L384 D392 Y393 V394 L399 I435 D438 L441 | L380-I390 HydrophobicContact CD2-CG1 4.35Å; L380-I390 HydrophobicContact CD2-CG2 4.1Å; L383-I390 HydrophobicContact CD2-CB 4.48Å; L383-I390 HydrophobicContact CD2-CG1 4.14Å; L384-I390 HydrophobicContact CD1-CD1 4.06Å; L384-I390 HydrophobicContact CD2-CD1 3.98Å; L384-I390 HydrophobicContact CD2-CG1 4.07Å; L384-I390 HydrophobicContact CG-CD1 4.17Å; L384-I390 HydrophobicContact CG-CG1 4.36Å; I390-D392 PolarHBondContact O-N 2.9Å; I390-D392 VanDerWaalsContact O-N 3.11Å; I390-Y393 PolarHBondContact O-N 3.33Å; I390-V394 PolarHBondContact O-N 3.43Å; I390-L399 HydrophobicContact CG2-CD1 3.46Å; I390-L399 VanDerWaalsContact CG2-CD1 3.46Å; I390-I435 HydrophobicContact CD1-CG1 4.39Å; I390-I435 HydrophobicContact CD1-CG2 4.39Å; I390-D438 HydrophobicContact CD1-CB 4.07Å; I390-L441 HydrophobicContact CB-CD1 3.78Å; I390-L441 HydrophobicContact CD1-CD1 4.11Å; I390-L441 HydrophobicContact CG2-CD1 3.85Å |
| 391 | L | 91.6 | Very high | 91.9 | Very high | 79 Ų | 79 | 61.7 Ų | 61.7 | 41% | 0.414 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -61.3 | -17.9 | -179.2 | -72.3 | 175.9 | 0 | 0 | 0 | 115 | R389 Y393 V394 L441 | R389-L391 VanDerWaalsContact C-N 3.26Å; R389-L391 PolarHBondContact O-N 2.9Å; L391-Y393 PolarHBondContact O-N 2.95Å; L391-V394 WeakPolarHBondContact CA-O 3.31Å; L391-L441 HydrophobicContact CD1-CD2 4.33Å; L391-L441 HydrophobicContact CD2-CD2 3.69Å; L391-L441 HydrophobicContact CD2-CG 4.44Å; L391-L441 HydrophobicContact CG-CD1 4.5Å; L391-L441 HydrophobicContact CG-CD2 4.03Å; L391-L441 HydrophobicContact CG-CG 4.29Å |
| 392 | D | 88.6 | Confident | 92 | Very high | 92 Ų | 92 | 60 Ų | 60 | 49% | 0.492 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -74.8 | -17.9 | 176.9 | -66.6 | -29.8 | 0 | 0 | 0 | 112 | R389 I390 | R389-D392 WeakPolarHBondContact CB-OD2 3.24Å; R389-D392 IonicContact CZ-OD1 3.41Å; R389-D392 IonicContact CZ-OD2 3.89Å; R389-D392 IonicContact NE-OD1 2.6Å; R389-D392 PolarHBondContact NE-OD1 3.37Å; R389-D392 IonicContact NE-OD2 3.85Å; R389-D392 PolarHBondContact NE-OD2 2.95Å; R389-D392 IonicContact NH2-OD1 3.52Å; R389-D392 PolarHBondContact NH2-OD1 2.92Å; R389-D392 IonicContact NH2-OD2 3.52Å; R389-D392 PolarHBondContact NH2-OD2 3.35Å; R389-D392 PolarHBondContact O-N 3.23Å; I390-D392 PolarHBondContact O-N 2.9Å; I390-D392 VanDerWaalsContact O-N 3.11Å |
| 393 | Y | 87.8 | Confident | 92.2 | Very high | 110 Ų | 110 | 56.3 Ų | 56.3 | 43% | 0.431 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.9 | -29.9 | -176.1 | -60.4 | -86.9 | 0 | 0 | 0 | 113.4 | I334 L383 I390 L391 | I334-Y393 HydrophobicContact CG2-CD1 3.66Å; I334-Y393 HydrophobicContact CG2-CE1 3.18Å; I334-Y393 HydrophobicContact CG2-CE2 4.19Å; I334-Y393 HydrophobicContact CG2-CG 4.32Å; I334-Y393 VanDerWaalsContact CG2-CZ 3.48Å; L383-Y393 HydrophobicContact CD1-CD2 3.92Å; L383-Y393 HydrophobicContact CD1-CE2 3.52Å; L383-Y393 HydrophobicContact CD2-CD2 3.77Å; L383-Y393 HydrophobicContact CD2-CE2 4.24Å; I390-Y393 PolarHBondContact O-N 3.33Å; L391-Y393 PolarHBondContact O-N 2.95Å |
| 394 | V | 89.2 | Confident | 92.4 | Very high | 3 Ų | 3 | 59.8 Ų | 59.8 | 2% | 0.018 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -138.9 | 128.9 | -176.1 | -175.4 | 0 | 0 | 0 | 0 | 110.5 | L348 M352 I390 L391 N398 L399 | L348-V394 HydrophobicContact CD2-CG2 3.9Å; L348-V394 HydrophobicContact CG-CG2 4.41Å; M352-V394 HydrophobicContact CE-CG1 3.35Å; M352-V394 HydrophobicContact SD-CB 4.12Å; M352-V394 HydrophobicContact SD-CG1 3.28Å; M352-V394 WeakPolarHBondContact SD-CG1 3.3Å; M352-V394 HydrophobicContact SD-CG2 3.61Å; I390-V394 PolarHBondContact O-N 3.43Å; L391-V394 WeakPolarHBondContact CA-O 3.31Å; V394-N398 HydrophobicContact CG1-CB 4.39Å; V394-L399 HydrophobicContact CB-CD1 4.26Å; V394-L399 HydrophobicContact CB-CG 4.35Å; V394-L399 HydrophobicContact CG1-CD1 4Å; V394-L399 HydrophobicContact CG1-CD2 3.87Å; V394-L399 HydrophobicContact CG1-CG 3.58Å |
| 395 | A | 91.3 | Very high | 92.5 | Very high | 50 Ų | 50 | 61.8 Ų | 61.8 | 41% | 0.413 | 33% | 0.331 | S | S | . | . | trans | -65.3 | 141.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E397 N398 L399 | A395-E397 VanDerWaalsContact C-N 3.26Å; A395-E397 PolarHBondContact O-N 3.49Å; A395-N398 PolarHBondContact O-N 3.48Å; A395-L399 PolarHBondContact O-N 3.21Å | ||
| 396 | S | 94 | Very high | 92.8 | Very high | 22 Ų | 22 | 56.6 Ų | 56.6 | 15% | 0.154 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -52.9 | -44.9 | 177.8 | -172.5 | 0 | 0 | 0 | 0 | 111.6 | N398 L399 M400 L441 D444 | S396-N398 VanDerWaalsContact C-N 3.31Å; S396-N398 PolarHBondContact O-N 3.43Å; S396-L399 PolarHBondContact O-N 2.86Å; S396-M400 WeakPolarHBondContact O-CG 3.31Å; S396-M400 PolarHBondContact O-N 2.85Å; S396-L441 VanDerWaalsContact OG-CD2 3.32Å; S396-L441 WeakPolarHBondContact OG-CD2 3.47Å; S396-D444 PolarHBondContact OG-OD2 2.98Å |
| 397 | E | 93.9 | Very high | 93.2 | Very high | 159 Ų | 159 | 52.2 Ų | 52.2 | 74% | 0.743 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -54.1 | -44.6 | -179.4 | -63.1 | 177.1 | -178.9 | 0 | 0 | 112.6 | A395 L399 M400 Q401 | A395-E397 VanDerWaalsContact C-N 3.26Å; A395-E397 PolarHBondContact O-N 3.49Å; E397-L399 PolarHBondContact O-N 3.48Å; E397-M400 PolarHBondContact O-N 3.41Å; E397-Q401 VanDerWaalsContact O-CB 3.31Å; E397-Q401 WeakPolarHBondContact O-CB 3.42Å; E397-Q401 PolarHBondContact O-N 3.21Å |
| 398 | N | 93.2 | Very high | 93.6 | Very high | 64 Ų | 64 | 54.6 Ų | 54.6 | 34% | 0.342 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -68.9 | -35.5 | -179.4 | -66.9 | -14.1 | 0 | 0 | 0 | 112 | M352 V394 A395 S396 L402 | M352-N398 HydrophobicContact CE-CB 3.79Å; V394-N398 HydrophobicContact CG1-CB 4.39Å; A395-N398 PolarHBondContact O-N 3.48Å; S396-N398 VanDerWaalsContact C-N 3.31Å; S396-N398 PolarHBondContact O-N 3.43Å; N398-L402 WeakPolarHBondContact O-CB 3.31Å; N398-L402 PolarHBondContact O-N 3.45Å |
| 399 | L | 95.6 | Very high | 93.9 | Very high | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -70.7 | -43.9 | 176.3 | -70.3 | 168.2 | 0 | 0 | 0 | 111.2 | M352 L380 I390 V394 A395 S396 E397 L402 L403 I435 L441 | M352-L399 HydrophobicContact CE-CD2 4.06Å; M352-L399 HydrophobicContact CE-CG 4.48Å; L380-L399 HydrophobicContact CD1-CD2 4.24Å; I390-L399 HydrophobicContact CG2-CD1 3.46Å; I390-L399 VanDerWaalsContact CG2-CD1 3.46Å; V394-L399 HydrophobicContact CB-CD1 4.26Å; V394-L399 HydrophobicContact CB-CG 4.35Å; V394-L399 HydrophobicContact CG1-CD1 4Å; V394-L399 HydrophobicContact CG1-CD2 3.87Å; V394-L399 HydrophobicContact CG1-CG 3.58Å; A395-L399 PolarHBondContact O-N 3.21Å; S396-L399 PolarHBondContact O-N 2.86Å; E397-L399 PolarHBondContact O-N 3.48Å; L399-L402 PolarHBondContact O-N 2.89Å; L399-L403 WeakPolarHBondContact O-CG 3.37Å; L399-L403 PolarHBondContact O-N 2.92Å; L399-I435 HydrophobicContact CD2-CD1 4.17Å; L399-L441 HydrophobicContact CD1-CD1 4.03Å |
| 400 | M | 97.1 | Very high | 94.1 | Very high | 18 Ų | 18 | 51.7 Ų | 51.7 | 9% | 0.089 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.7 | -42.7 | 179.2 | -63.8 | -46.2 | 106.8 | 0 | 0 | 110.6 | S396 E397 L402 L403 E404 D444 V445 T448 | S396-M400 WeakPolarHBondContact O-CG 3.31Å; S396-M400 PolarHBondContact O-N 2.85Å; E397-M400 PolarHBondContact O-N 3.41Å; M400-L402 VanDerWaalsContact C-N 3.35Å; M400-L402 PolarHBondContact O-N 3.17Å; M400-L403 HydrophobicContact CE-CD1 4.24Å; M400-L403 PolarHBondContact O-N 2.98Å; M400-L403 HydrophobicContact SD-CD1 4.41Å; M400-E404 VanDerWaalsContact O-CB 3.29Å; M400-E404 WeakPolarHBondContact O-CB 3.18Å; M400-E404 PolarHBondContact O-N 3.44Å; M400-D444 HydrophobicContact CE-CB 4.46Å; M400-D444 HydrophobicContact CG-CB 4.02Å; M400-D444 HydrophobicContact SD-CB 3.78Å; M400-V445 HydrophobicContact CE-CG2 3.74Å; M400-V445 HydrophobicContact SD-CG2 4.05Å; M400-T448 HydrophobicContact CB-CG2 4.5Å; M400-T448 PolarHBondContact SD-OG1 3.32Å; M400-T448 VanDerWaalsContact SD-OG1 3.38Å |
| 401 | Q | 96.5 | Very high | 94.1 | Very high | 91 Ų | 91 | 52.9 Ų | 52.9 | 43% | 0.425 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -58.1 | -46.2 | 173.1 | -176.2 | -179.8 | -2.5 | 0 | 0 | 111.6 | E397 L403 E404 E405 | E397-Q401 VanDerWaalsContact O-CB 3.31Å; E397-Q401 WeakPolarHBondContact O-CB 3.42Å; E397-Q401 PolarHBondContact O-N 3.21Å; Q401-L403 PolarHBondContact O-N 3.27Å; Q401-E404 PolarHBondContact O-N 3.38Å; Q401-E405 HydrophobicContact CG-CG 4.32Å; Q401-E405 WeakPolarHBondContact CG-OE1 3.45Å; Q401-E405 PolarHBondContact NE2-OE1 3.3Å; Q401-E405 WeakPolarHBondContact O-CB 3.4Å; Q401-E405 WeakPolarHBondContact O-CG 3.49Å; Q401-E405 PolarHBondContact O-N 3.01Å |
| 402 | L | 97.5 | Very high | 94 | Very high | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.3 | -46.4 | 177.6 | 172.1 | 64.8 | 0 | 0 | 0 | 112.4 | A355 N356 L376 N398 L399 M400 C406 L431 | A355-L402 HydrophobicContact CB-CD1 3.73Å; A355-L402 HydrophobicContact CB-CD2 4.26Å; N356-L402 WeakPolarHBondContact OD1-CA 3.4Å; N356-L402 WeakPolarHBondContact OD1-CB 3.48Å; N356-L402 WeakPolarHBondContact OD1-CD1 3.42Å; L376-L402 HydrophobicContact CD2-CD2 3.38Å; N398-L402 WeakPolarHBondContact O-CB 3.31Å; N398-L402 PolarHBondContact O-N 3.45Å; L399-L402 PolarHBondContact O-N 2.89Å; M400-L402 VanDerWaalsContact C-N 3.35Å; M400-L402 PolarHBondContact O-N 3.17Å; L402-C406 VanDerWaalsContact CD1-SG 3.58Å; L402-C406 VanDerWaalsContact O-CB 3.31Å; L402-C406 WeakPolarHBondContact O-CB 3.27Å; L402-C406 PolarHBondContact O-N 2.71Å; L402-C406 PolarHBondContact O-SG 2.83Å; L402-L431 HydrophobicContact CD2-CD2 4.01Å |
| 403 | L | 98.2 | Very high | 94 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.8 | -45.4 | 176.6 | -71.7 | -179.3 | 0 | 0 | 0 | 111 | L399 M400 Q401 C406 L407 L431 A432 I435 V445 T448 | L399-L403 WeakPolarHBondContact O-CG 3.37Å; L399-L403 PolarHBondContact O-N 2.92Å; M400-L403 HydrophobicContact CE-CD1 4.24Å; M400-L403 PolarHBondContact O-N 2.98Å; M400-L403 HydrophobicContact SD-CD1 4.41Å; Q401-L403 PolarHBondContact O-N 3.27Å; L403-C406 PolarHBondContact O-N 3.48Å; L403-L407 HydrophobicContact CB-CD1 4.44Å; L403-L407 VanDerWaalsContact O-CB 3.23Å; L403-L407 WeakPolarHBondContact O-CB 3.39Å; L403-L407 WeakPolarHBondContact O-CG 3.19Å; L403-L407 PolarHBondContact O-N 3.4Å; L403-L431 HydrophobicContact CD2-CB 4.28Å; L403-L431 HydrophobicContact CD2-CD2 4.11Å; L403-L431 HydrophobicContact CD2-CG 4.17Å; L403-A432 HydrophobicContact CD1-CB 4.14Å; L403-A432 HydrophobicContact CD2-CB 3.96Å; L403-I435 HydrophobicContact CD1-CD1 4.14Å; L403-V445 HydrophobicContact CD1-CG1 4.26Å; L403-V445 HydrophobicContact CD1-CG2 4.25Å; L403-T448 HydrophobicContact CB-CG2 4.2Å |
| 404 | E | 96.4 | Very high | 93.9 | Very high | 85 Ų | 85 | 53.1 Ų | 53.1 | 40% | 0.397 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.6 | -51.2 | 179.2 | -172.8 | 175.2 | -179.4 | 0 | 0 | 111.5 | M400 Q401 C406 L407 K408 T448 | M400-E404 VanDerWaalsContact O-CB 3.29Å; M400-E404 WeakPolarHBondContact O-CB 3.18Å; M400-E404 PolarHBondContact O-N 3.44Å; Q401-E404 PolarHBondContact O-N 3.38Å; E404-C406 VanDerWaalsContact C-N 3.34Å; E404-C406 PolarHBondContact O-N 2.88Å; E404-L407 PolarHBondContact O-N 2.87Å; E404-K408 HydrophobicContact CG-CD 3.71Å; E404-K408 HydrophobicContact CG-CG 4.42Å; E404-K408 WeakPolarHBondContact O-CB 3.48Å; E404-K408 VanDerWaalsContact O-CG 3.29Å; E404-K408 WeakPolarHBondContact O-CG 3.46Å; E404-K408 PolarHBondContact O-N 3.24Å; E404-K408 IonicContact OE1-NZ 3.45Å; E404-K408 PolarHBondContact OE1-NZ 3.49Å; E404-T448 HydrophobicContact CB-CG2 3.95Å |
| 405 | E | 95.6 | Very high | 93.9 | Very high | 78 Ų | 78 | 54.9 Ų | 54.9 | 36% | 0.364 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62 | -41.3 | 179.7 | -74.1 | -178.3 | -172.5 | 0 | 0 | 111.9 | Q401 T409 | Q401-E405 HydrophobicContact CG-CG 4.32Å; Q401-E405 WeakPolarHBondContact CG-OE1 3.45Å; Q401-E405 PolarHBondContact NE2-OE1 3.3Å; Q401-E405 WeakPolarHBondContact O-CB 3.4Å; Q401-E405 WeakPolarHBondContact O-CG 3.49Å; Q401-E405 PolarHBondContact O-N 3.01Å; E405-T409 PolarHBondContact O-OG1 3.36Å |
| 406 | C | 97.8 | Very high | 93.7 | Very high | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.007 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -72.3 | -44.9 | 179.9 | -66.5 | 0 | 0 | 0 | 0 | 112.6 | L402 L403 E404 T409 R424 I425 A428 | L402-C406 VanDerWaalsContact CD1-SG 3.58Å; L402-C406 VanDerWaalsContact O-CB 3.31Å; L402-C406 WeakPolarHBondContact O-CB 3.27Å; L402-C406 PolarHBondContact O-N 2.71Å; L402-C406 PolarHBondContact O-SG 2.83Å; L403-C406 PolarHBondContact O-N 3.48Å; E404-C406 VanDerWaalsContact C-N 3.34Å; E404-C406 PolarHBondContact O-N 2.88Å; C406-T409 VanDerWaalsContact O-CB 3.29Å; C406-T409 WeakPolarHBondContact O-CB 3.42Å; C406-T409 PolarHBondContact O-N 2.92Å; C406-T409 PolarHBondContact O-OG1 3.39Å; C406-R424 HydrophobicContact CB-CG 4.01Å; C406-R424 PolarHBondContact SG-NE 3.2Å; C406-I425 WeakPolarHBondContact O-CG1 3.5Å; C406-A428 HydrophobicContact CB-CB 3.39Å |
| 407 | L | 97.8 | Very high | 93.6 | Very high | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -74.7 | -27.9 | -176.6 | -65.9 | 171.1 | 0 | 0 | 0 | 112.7 | L403 E404 T409 I425 A428 L429 V449 L453 | L403-L407 HydrophobicContact CB-CD1 4.44Å; L403-L407 VanDerWaalsContact O-CB 3.23Å; L403-L407 WeakPolarHBondContact O-CB 3.39Å; L403-L407 WeakPolarHBondContact O-CG 3.19Å; L403-L407 PolarHBondContact O-N 3.4Å; E404-L407 PolarHBondContact O-N 2.87Å; L407-T409 PolarHBondContact O-N 3.36Å; L407-I425 HydrophobicContact CD2-CG2 4.2Å; L407-A428 HydrophobicContact CD2-CB 3.85Å; L407-A428 HydrophobicContact CG-CB 4.04Å; L407-L429 HydrophobicContact CD2-CB 4.49Å; L407-L429 HydrophobicContact CD2-CD2 3.6Å; L407-L429 HydrophobicContact CD2-CG 3.58Å; L407-V449 HydrophobicContact CD1-CB 4.45Å; L407-V449 HydrophobicContact CD1-CG1 4.23Å; L407-V449 HydrophobicContact CD1-CG2 3.53Å; L407-L453 HydrophobicContact CB-CD1 4.46Å; L407-L453 HydrophobicContact CB-CD2 3.66Å; L407-L453 HydrophobicContact CB-CG 4.5Å; L407-L453 HydrophobicContact CD1-CD2 4.06Å; L407-L453 HydrophobicContact CG-CD2 4.48Å |
| 408 | K | 95.5 | Very high | 93.6 | Very high | 117 Ų | 117 | 49.5 Ų | 49.5 | 51% | 0.509 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | 8.1 | 173.5 | -65 | -177.1 | -179.2 | 176.9 | 0 | 113.7 | E404 T410 L453 | E404-K408 HydrophobicContact CG-CD 3.71Å; E404-K408 HydrophobicContact CG-CG 4.42Å; E404-K408 WeakPolarHBondContact O-CB 3.48Å; E404-K408 VanDerWaalsContact O-CG 3.29Å; E404-K408 WeakPolarHBondContact O-CG 3.46Å; E404-K408 PolarHBondContact O-N 3.24Å; E404-K408 IonicContact OE1-NZ 3.45Å; E404-K408 PolarHBondContact OE1-NZ 3.49Å; K408-T410 PolarHBondContact O-N 2.91Å; K408-L453 HydrophobicContact CG-CD1 4.34Å |
| 409 | T | 94.3 | Very high | 93.6 | Very high | 23 Ų | 23 | 51 Ų | 51 | 14% | 0.141 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -55.1 | 125.3 | 173.2 | -59.8 | 0 | 0 | 0 | 0 | 110 | E405 C406 L407 L411 K421 | E405-T409 PolarHBondContact O-OG1 3.36Å; C406-T409 VanDerWaalsContact O-CB 3.29Å; C406-T409 WeakPolarHBondContact O-CB 3.42Å; C406-T409 PolarHBondContact O-N 2.92Å; C406-T409 PolarHBondContact O-OG1 3.39Å; L407-T409 PolarHBondContact O-N 3.36Å; T409-L411 PolarHBondContact O-N 2.96Å; T409-K421 HydrophobicContact CG2-CB 3.69Å; T409-K421 HydrophobicContact CG2-CD 3.92Å; T409-K421 HydrophobicContact CG2-CG 3.7Å |
| 410 | T | 91.9 | Very high | 93.6 | Very high | 90 Ų | 90 | 52.2 Ų | 52.2 | 55% | 0.552 | 27% | 0.265 | S | S | * | . | P | Polyproline II helix | trans | -72 | 126.1 | -178.4 | 51.8 | 0 | 0 | 0 | 0 | 111.1 | K408 K421 | K408-T410 PolarHBondContact O-N 2.91Å; T410-K421 WeakPolarHBondContact O-CD 3.45Å |
| 411 | L | 92.2 | Very high | 93.5 | Very high | 25 Ų | 25 | 51.7 Ų | 51.7 | 13% | 0.131 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -101.3 | 117.3 | 175.9 | -63.7 | -179.9 | 0 | 0 | 0 | 110.2 | T409 I418 K421 I425 F460 | T409-L411 PolarHBondContact O-N 2.96Å; L411-I418 HydrophobicContact CB-CD1 4.01Å; L411-I418 HydrophobicContact CD2-CD1 3.76Å; L411-I418 HydrophobicContact CG-CD1 4.46Å; L411-K421 HydrophobicContact CD2-CB 3.82Å; L411-I425 HydrophobicContact CD1-CD1 3.67Å; L411-I425 HydrophobicContact CD2-CD1 3.71Å; L411-I425 HydrophobicContact CG-CD1 3.58Å; L411-F460 HydrophobicContact CB-CD1 4.25Å; L411-F460 HydrophobicContact CB-CD2 4.46Å; L411-F460 HydrophobicContact CB-CE1 3.67Å; L411-F460 HydrophobicContact CB-CE2 3.9Å; L411-F460 HydrophobicContact CB-CZ 3.47Å; L411-F460 VanDerWaalsContact CB-CZ 3.47Å; L411-F460 HydrophobicContact CD1-CD1 3.75Å; L411-F460 HydrophobicContact CD1-CE1 3.64Å; L411-F460 HydrophobicContact CD1-CZ 4.33Å; L411-F460 HydrophobicContact CG-CE1 4.33Å; L411-F460 WeakPolarHBondContact O-CE2 3.36Å |
| 412 | E | 90.2 | Very high | 93.6 | Very high | 108 Ų | 108 | 47.3 Ų | 47.3 | 51% | 0.505 | 24% | 0.242 | S | C | . | . | trans | -126.2 | 123.3 | 173.2 | -68.6 | 178.3 | 176.6 | 0 | 0 | 108.8 | S414 N415 I418 | E412-S414 PolarHBondContact O-N 3.3Å; E412-S414 VanDerWaalsContact O-N 3.13Å; E412-N415 HydrophobicContact CB-CB 4.13Å; E412-N415 VanDerWaalsContact O-CB 3.3Å; E412-N415 WeakPolarHBondContact O-CB 3.26Å; E412-N415 PolarHBondContact O-N 2.85Å; E412-I418 WeakPolarHBondContact O-CD1 3.35Å | ||
| 413 | T | 87.4 | Confident | 93.5 | Very high | 74 Ų | 74 | 48.6 Ų | 48.6 | 45% | 0.454 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -17.8 | -174.7 | 53.5 | 0 | 0 | 0 | 0 | 113.9 | F460 W480 | T413-F460 HydrophobicContact CG2-CZ 4.21Å; T413-W480 HydrophobicContact CG2-CH2 3.73Å; T413-W480 HydrophobicContact CG2-CZ2 3.55Å |
| 414 | S | 86.4 | Confident | 93.5 | Very high | 103 Ų | 103 | 48.9 Ų | 48.9 | 72% | 0.72 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -7.8 | 174.8 | 52.8 | 0 | 0 | 0 | 0 | 114.2 | E412 | E412-S414 PolarHBondContact O-N 3.3Å; E412-S414 VanDerWaalsContact O-N 3.13Å |
| 415 | N | 89 | Confident | 93.6 | Very high | 41 Ų | 41 | 44.9 Ų | 44.9 | 22% | 0.219 | 23% | 0.231 | C | C | . | . | trans | -77.7 | 134.2 | -176.8 | -169 | -48 | 0 | 0 | 0 | 110.8 | E412 L417 I418 K421 | E412-N415 HydrophobicContact CB-CB 4.13Å; E412-N415 VanDerWaalsContact O-CB 3.3Å; E412-N415 WeakPolarHBondContact O-CB 3.26Å; E412-N415 PolarHBondContact O-N 2.85Å; N415-L417 PolarHBondContact O-N 3.29Å; N415-L417 PolarHBondContact OD1-N 3.42Å; N415-I418 VanDerWaalsContact O-CB 3.31Å; N415-I418 WeakPolarHBondContact O-CB 3.34Å; N415-I418 VanDerWaalsContact O-CG2 3.27Å; N415-I418 WeakPolarHBondContact O-CG2 3.1Å; N415-I418 PolarHBondContact O-N 2.97Å; N415-I418 VanDerWaalsContact O-N 3.08Å; N415-K421 PolarHBondContact ND2-NZ 3.41Å | ||
| 416 | E | 87 | Confident | 93.7 | Very high | 97 Ų | 97 | 42.5 Ų | 42.5 | 45% | 0.453 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -31.8 | 178.4 | -60.7 | -179.2 | 154.1 | 0 | 0 | 112.6 | A48 S50 Q51 | A48-E416 HydrophobicContact CB-CB 4.34Å; S50-E416 WeakPolarHBondContact CB-OE1 3.32Å; S50-E416 PolarHBondContact OG-OE1 2.88Å; Q51-E416 PolarHBondContact NE2-OE2 3.46Å |
| 417 | L | 91.3 | Very high | 93.7 | Very high | 7 Ų | 7 | 43 Ų | 43 | 4% | 0.037 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 15.7 | 178.9 | -70.7 | -175.9 | 0 | 0 | 0 | 114 | I47 P359 N415 R419 Q420 K421 | I47-L417 HydrophobicContact CG2-CD1 3.63Å; I47-L417 HydrophobicContact CG2-CD2 3.43Å; I47-L417 VanDerWaalsContact CG2-CD2 3.43Å; I47-L417 HydrophobicContact CG2-CG 3.59Å; P359-L417 HydrophobicContact CB-CD1 4.41Å; N415-L417 PolarHBondContact O-N 3.29Å; N415-L417 PolarHBondContact OD1-N 3.42Å; L417-R419 PolarHBondContact O-N 3.43Å; L417-R419 VanDerWaalsContact O-N 3.11Å; L417-Q420 HydrophobicContact CD2-CB 4.4Å; L417-Q420 HydrophobicContact CD2-CG 4.19Å; L417-Q420 PolarHBondContact O-N 2.62Å; L417-Q420 VanDerWaalsContact O-N 3.1Å; L417-K421 HydrophobicContact CB-CG 4.45Å; L417-K421 WeakPolarHBondContact O-CG 3.42Å; L417-K421 PolarHBondContact O-N 3.31Å |
| 418 | I | 93.9 | Very high | 93.7 | Very high | 13 Ų | 13 | 43 Ų | 43 | 7% | 0.067 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -55.7 | -33.9 | -177.2 | -173.7 | 54.9 | 0 | 0 | 0 | 112.7 | L411 E412 N415 S422 W480 | L411-I418 HydrophobicContact CB-CD1 4.01Å; L411-I418 HydrophobicContact CD2-CD1 3.76Å; L411-I418 HydrophobicContact CG-CD1 4.46Å; E412-I418 WeakPolarHBondContact O-CD1 3.35Å; N415-I418 VanDerWaalsContact O-CB 3.31Å; N415-I418 WeakPolarHBondContact O-CB 3.34Å; N415-I418 VanDerWaalsContact O-CG2 3.27Å; N415-I418 WeakPolarHBondContact O-CG2 3.1Å; N415-I418 PolarHBondContact O-N 2.97Å; N415-I418 VanDerWaalsContact O-N 3.08Å; I418-S422 VanDerWaalsContact O-CB 3.26Å; I418-S422 WeakPolarHBondContact O-CB 3.31Å; I418-S422 PolarHBondContact O-N 2.98Å; I418-S422 PolarHBondContact O-OG 3.46Å; I418-W480 HydrophobicContact CB-CG 4.49Å; I418-W480 HydrophobicContact CG1-CB 4.01Å; I418-W480 HydrophobicContact CG1-CD2 4.08Å; I418-W480 HydrophobicContact CG1-CG 3.76Å; I418-W480 HydrophobicContact CG2-CB 4.12Å; I418-W480 VanDerWaalsContact CG2-CD1 3.45Å; I418-W480 HydrophobicContact CG2-CG 3.92Å |
| 419 | R | 94.5 | Very high | 93.8 | Very high | 95 Ų | 95 | 37.5 Ų | 37.5 | 36% | 0.358 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -64.2 | -52.7 | 176.2 | -179.2 | -173.7 | 170.8 | -80.3 | -0.9 | 111 | D367 L417 S422 L423 D479 I483 | D367-R419 IonicContact OD1-NH1 2.78Å; L417-R419 PolarHBondContact O-N 3.43Å; L417-R419 VanDerWaalsContact O-N 3.11Å; R419-S422 WeakPolarHBondContact O-CB 3.48Å; R419-S422 PolarHBondContact O-N 3.12Å; R419-L423 HydrophobicContact CG-CD1 4.44Å; R419-L423 PolarHBondContact O-N 3.48Å; R419-D479 HydrophobicContact CG-CB 4.43Å; R419-I483 HydrophobicContact CG-CD1 3.75Å |
| 420 | Q | 95.4 | Very high | 94 | Very high | 27 Ų | 27 | 38.4 Ų | 38.4 | 13% | 0.126 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.8 | -45.7 | 179.6 | -72.2 | 81.1 | -3.6 | 0 | 0 | 111 | D367 I370 L417 S422 L423 R424 | D367-Q420 WeakPolarHBondContact OD1-CG 3.42Å; I370-Q420 HydrophobicContact CD1-CB 3.74Å; I370-Q420 HydrophobicContact CD1-CG 4.18Å; I370-Q420 WeakPolarHBondContact CD1-O 3.29Å; L417-Q420 HydrophobicContact CD2-CB 4.4Å; L417-Q420 HydrophobicContact CD2-CG 4.19Å; L417-Q420 PolarHBondContact O-N 2.62Å; L417-Q420 VanDerWaalsContact O-N 3.1Å; Q420-S422 VanDerWaalsContact C-N 3.3Å; Q420-S422 PolarHBondContact O-N 3.14Å; Q420-L423 PolarHBondContact O-N 3.03Å; Q420-L423 VanDerWaalsContact O-N 3.13Å; Q420-R424 PolarHBondContact O-N 3.28Å |
| 421 | K | 95.5 | Very high | 94.3 | Very high | 7 Ų | 7 | 34.1 Ų | 34.1 | 3% | 0.03 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.8 | -39.5 | 176.3 | -68.6 | -172.6 | 177.9 | -172.3 | 0 | 112.3 | D360 T409 T410 L411 N415 L417 R424 I425 | D360-K421 VanDerWaalsContact CG-NZ 3.29Å; D360-K421 WeakPolarHBondContact OD1-CE 3.45Å; D360-K421 IonicContact OD1-NZ 2.72Å; D360-K421 PolarHBondContact OD1-NZ 3.32Å; D360-K421 WeakPolarHBondContact OD2-CE 3.28Å; D360-K421 IonicContact OD2-NZ 3.25Å; D360-K421 PolarHBondContact OD2-NZ 2.91Å; T409-K421 HydrophobicContact CG2-CB 3.69Å; T409-K421 HydrophobicContact CG2-CD 3.92Å; T409-K421 HydrophobicContact CG2-CG 3.7Å; T410-K421 WeakPolarHBondContact O-CD 3.45Å; L411-K421 HydrophobicContact CD2-CB 3.82Å; N415-K421 PolarHBondContact ND2-NZ 3.41Å; L417-K421 HydrophobicContact CB-CG 4.45Å; L417-K421 WeakPolarHBondContact O-CG 3.42Å; L417-K421 PolarHBondContact O-N 3.31Å; K421-R424 PolarHBondContact O-N 2.95Å; K421-I425 PolarHBondContact O-N 3.23Å |
| 422 | S | 96.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.6 | -42.7 | 173.9 | -58.5 | 0 | 0 | 0 | 0 | 111.8 | I418 R419 Q420 R424 I425 Y426 I487 | I418-S422 VanDerWaalsContact O-CB 3.26Å; I418-S422 WeakPolarHBondContact O-CB 3.31Å; I418-S422 PolarHBondContact O-N 2.98Å; I418-S422 PolarHBondContact O-OG 3.46Å; R419-S422 WeakPolarHBondContact O-CB 3.48Å; R419-S422 PolarHBondContact O-N 3.12Å; Q420-S422 VanDerWaalsContact C-N 3.3Å; Q420-S422 PolarHBondContact O-N 3.14Å; S422-R424 VanDerWaalsContact C-N 3.34Å; S422-R424 PolarHBondContact O-N 3.49Å; S422-I425 PolarHBondContact O-N 3.25Å; S422-Y426 WeakPolarHBondContact O-CB 3.31Å; S422-Y426 PolarHBondContact O-N 2.85Å; S422-I487 WeakPolarHBondContact O-CD1 3.3Å |
| 423 | L | 97 | Very high | 94.8 | Very high | 28 Ų | 28 | 29.3 Ų | 29.3 | 15% | 0.147 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.9 | -40 | 176.1 | -76 | 171.4 | 0 | 0 | 0 | 112 | I370 R419 Q420 I425 Y426 E427 I483 | I370-L423 HydrophobicContact CD1-CB 4.13Å; I370-L423 HydrophobicContact CG2-CB 3.98Å; R419-L423 HydrophobicContact CG-CD1 4.44Å; R419-L423 PolarHBondContact O-N 3.48Å; Q420-L423 PolarHBondContact O-N 3.03Å; Q420-L423 VanDerWaalsContact O-N 3.13Å; L423-I425 PolarHBondContact O-N 3.02Å; L423-Y426 PolarHBondContact O-N 3.1Å; L423-E427 WeakPolarHBondContact O-CG 3.45Å; L423-E427 PolarHBondContact O-N 3.08Å; L423-I483 HydrophobicContact CD1-CD1 4.27Å; L423-I483 HydrophobicContact CD2-CD1 3.74Å; L423-I483 HydrophobicContact CD2-CG1 3.84Å; L423-I483 HydrophobicContact CD2-CG2 3.99Å; L423-I483 HydrophobicContact CG-CD1 3.66Å; L423-I483 HydrophobicContact CG-CG1 4.28Å; L423-I483 HydrophobicContact CG-CG2 4.3Å |
| 424 | R | 97.1 | Very high | 95.2 | Very high | 6 Ų | 6 | 26.2 Ų | 26.2 | 2% | 0.023 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.2 | -48.8 | 176.6 | -175.6 | 175.4 | 179.7 | 142 | -8.1 | 111.8 | A355 N356 A357 P359 I370 C406 Q420 K421 S422 Y426 A428 | A355-R424 PolarHBondContact O-NH2 3.07Å; N356-R424 PolarHBondContact O-NH2 3.31Å; A357-R424 PolarHBondContact O-NH1 2.97Å; P359-R424 VanDerWaalsContact CD-NH1 3.26Å; I370-R424 HydrophobicContact CG1-CB 3.93Å; C406-R424 HydrophobicContact CB-CG 4.01Å; C406-R424 PolarHBondContact SG-NE 3.2Å; Q420-R424 PolarHBondContact O-N 3.28Å; K421-R424 PolarHBondContact O-N 2.95Å; S422-R424 VanDerWaalsContact C-N 3.34Å; S422-R424 PolarHBondContact O-N 3.49Å; R424-Y426 VanDerWaalsContact C-N 3.33Å; R424-Y426 PolarHBondContact O-N 3.24Å; R424-A428 VanDerWaalsContact O-CB 3.28Å; R424-A428 WeakPolarHBondContact O-CB 3.47Å; R424-A428 PolarHBondContact O-N 3.36Å |
| 425 | I | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.2 | -44.4 | 176.5 | -66.9 | 170.6 | 0 | 0 | 0 | 110.3 | C406 L407 L411 K421 S422 L423 A428 L429 L457 I487 | C406-I425 WeakPolarHBondContact O-CG1 3.5Å; L407-I425 HydrophobicContact CD2-CG2 4.2Å; L411-I425 HydrophobicContact CD1-CD1 3.67Å; L411-I425 HydrophobicContact CD2-CD1 3.71Å; L411-I425 HydrophobicContact CG-CD1 3.58Å; K421-I425 PolarHBondContact O-N 3.23Å; S422-I425 PolarHBondContact O-N 3.25Å; L423-I425 PolarHBondContact O-N 3.02Å; I425-A428 PolarHBondContact O-N 2.93Å; I425-L429 HydrophobicContact CG2-CD1 4.11Å; I425-L429 HydrophobicContact CG2-CG 4.42Å; I425-L429 WeakPolarHBondContact O-CG 3.36Å; I425-L429 PolarHBondContact O-N 2.83Å; I425-L457 HydrophobicContact CD1-CD2 4.17Å; I425-L457 HydrophobicContact CG2-CD1 4.16Å; I425-L457 HydrophobicContact CG2-CD2 3.95Å; I425-I487 HydrophobicContact CB-CD1 4.18Å; I425-I487 HydrophobicContact CG2-CD1 4.08Å; I425-I487 HydrophobicContact CG2-CG1 4.3Å; I425-I487 HydrophobicContact CG2-CG2 4.1Å |
| 426 | Y | 97.8 | Very high | 95.9 | Very high | 29 Ų | 29 | 19.5 Ų | 19.5 | 11% | 0.114 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.7 | -49.6 | -179.9 | 175.9 | -118.4 | 0 | 0 | 0 | 112.5 | S422 L423 R424 A428 L429 L430 N486 T490 | S422-Y426 WeakPolarHBondContact O-CB 3.31Å; S422-Y426 PolarHBondContact O-N 2.85Å; L423-Y426 PolarHBondContact O-N 3.1Å; R424-Y426 VanDerWaalsContact C-N 3.33Å; R424-Y426 PolarHBondContact O-N 3.24Å; Y426-A428 VanDerWaalsContact C-N 3.31Å; Y426-A428 PolarHBondContact O-N 3.33Å; Y426-L429 WeakPolarHBondContact O-CB 3.42Å; Y426-L429 PolarHBondContact O-N 3.47Å; Y426-L430 HydrophobicContact CD1-CD1 4.42Å; Y426-L430 HydrophobicContact CE1-CD1 3.8Å; Y426-L430 HydrophobicContact CE2-CD1 4.19Å; Y426-L430 HydrophobicContact CE2-CD2 4.12Å; Y426-L430 HydrophobicContact CE2-CG 4.09Å; Y426-L430 WeakPolarHBondContact O-CG 3.39Å; Y426-L430 PolarHBondContact O-N 2.96Å; Y426-N486 HydrophobicContact CD2-CB 3.69Å; Y426-N486 HydrophobicContact CE2-CB 3.5Å; Y426-N486 VanDerWaalsContact CE2-CB 3.5Å; Y426-N486 HydrophobicContact CG-CB 4.31Å; Y426-T490 WeakPolarHBondContact CE2-OG1 3.38Å |
| 427 | E | 97.7 | Very high | 96.2 | Very high | 11 Ų | 11 | 22.8 Ų | 22.8 | 5% | 0.051 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -65.5 | -35.4 | 178.2 | -69.6 | -66.8 | 170.5 | 0 | 0 | 111.9 | I370 V373 Q374 R377 L423 L430 L431 | I370-E427 HydrophobicContact CG2-CG 4.06Å; V373-E427 HydrophobicContact CB-CB 4.29Å; V373-E427 HydrophobicContact CG1-CB 3.7Å; Q374-E427 HydrophobicContact CG-CG 3.83Å; Q374-E427 WeakPolarHBondContact CG-OE1 3.39Å; Q374-E427 PolarHBondContact NE2-OE1 3.13Å; R377-E427 IonicContact CZ-OE2 3.59Å; R377-E427 IonicContact NE-OE2 3.43Å; R377-E427 PolarHBondContact NE-OE2 3.2Å; R377-E427 IonicContact NH2-OE1 3.45Å; R377-E427 IonicContact NH2-OE2 3.7Å; R377-E427 PolarHBondContact NH2-OE2 3.49Å; L423-E427 WeakPolarHBondContact O-CG 3.45Å; L423-E427 PolarHBondContact O-N 3.08Å; E427-L430 PolarHBondContact O-N 3.18Å; E427-L431 WeakPolarHBondContact O-CB 3.29Å; E427-L431 PolarHBondContact O-N 3.21Å |
| 428 | A | 98.2 | Very high | 96.2 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.008 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -66.8 | -34.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | C406 L407 R424 I425 Y426 L431 A432 | C406-A428 HydrophobicContact CB-CB 3.39Å; L407-A428 HydrophobicContact CD2-CB 3.85Å; L407-A428 HydrophobicContact CG-CB 4.04Å; R424-A428 VanDerWaalsContact O-CB 3.28Å; R424-A428 WeakPolarHBondContact O-CB 3.47Å; R424-A428 PolarHBondContact O-N 3.36Å; I425-A428 PolarHBondContact O-N 2.93Å; Y426-A428 VanDerWaalsContact C-N 3.31Å; Y426-A428 PolarHBondContact O-N 3.33Å; A428-L431 PolarHBondContact O-N 3.48Å; A428-A432 WeakPolarHBondContact O-CB 3.48Å; A428-A432 PolarHBondContact O-N 3.48Å |
| 429 | L | 98.4 | Very high | 96.1 | Very high | 2 Ų | 2 | 29.3 Ų | 29.3 | 1% | 0.01 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66.2 | -40.4 | 172.5 | -74.4 | 169.9 | 0 | 0 | 0 | 111.8 | L407 I425 Y426 L431 A432 T433 L457 I487 T490 V491 | L407-L429 HydrophobicContact CD2-CB 4.49Å; L407-L429 HydrophobicContact CD2-CD2 3.6Å; L407-L429 HydrophobicContact CD2-CG 3.58Å; I425-L429 HydrophobicContact CG2-CD1 4.11Å; I425-L429 HydrophobicContact CG2-CG 4.42Å; I425-L429 WeakPolarHBondContact O-CG 3.36Å; I425-L429 PolarHBondContact O-N 2.83Å; Y426-L429 WeakPolarHBondContact O-CB 3.42Å; Y426-L429 PolarHBondContact O-N 3.47Å; L429-L431 VanDerWaalsContact C-N 3.32Å; L429-A432 PolarHBondContact O-N 3.4Å; L429-T433 WeakPolarHBondContact O-CB 3.41Å; L429-T433 PolarHBondContact O-N 3.17Å; L429-T433 PolarHBondContact O-OG1 3.45Å; L429-L457 HydrophobicContact CD2-CD1 4.36Å; L429-I487 HydrophobicContact CD1-CB 4.36Å; L429-I487 HydrophobicContact CD1-CG2 3.8Å; L429-T490 HydrophobicContact CB-CG2 3.9Å; L429-V491 HydrophobicContact CD1-CG2 3.57Å; L429-V491 HydrophobicContact CD2-CG2 3.84Å; L429-V491 HydrophobicContact CG-CG2 4.38Å |
| 430 | L | 97.8 | Very high | 95.9 | Very high | 42 Ų | 42 | 28.3 Ų | 28.3 | 22% | 0.22 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64 | -41 | 174 | -64.6 | -178.6 | 0 | 0 | 0 | 111.1 | Y426 E427 T433 L434 T490 | Y426-L430 HydrophobicContact CD1-CD1 4.42Å; Y426-L430 HydrophobicContact CE1-CD1 3.8Å; Y426-L430 HydrophobicContact CE2-CD1 4.19Å; Y426-L430 HydrophobicContact CE2-CD2 4.12Å; Y426-L430 HydrophobicContact CE2-CG 4.09Å; Y426-L430 WeakPolarHBondContact O-CG 3.39Å; Y426-L430 PolarHBondContact O-N 2.96Å; E427-L430 PolarHBondContact O-N 3.18Å; L430-T433 PolarHBondContact O-N 2.98Å; L430-L434 WeakPolarHBondContact O-CB 3.33Å; L430-L434 PolarHBondContact O-N 3.41Å; L430-T490 HydrophobicContact CD2-CG2 4.08Å |
| 431 | L | 97.9 | Very high | 95.9 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.8 | -45.4 | 175.5 | -175.7 | 63.8 | 0 | 0 | 0 | 111.8 | V373 L376 R377 L380 L402 L403 E427 A428 L429 T433 L434 I435 | V373-L431 HydrophobicContact CG1-CB 4.48Å; V373-L431 HydrophobicContact CG1-CD2 4.16Å; L376-L431 HydrophobicContact CD2-CD2 3.95Å; L376-L431 HydrophobicContact CG-CD1 4.48Å; R377-L431 HydrophobicContact CB-CD1 4.17Å; L380-L431 HydrophobicContact CD1-CD1 3.99Å; L402-L431 HydrophobicContact CD2-CD2 4.01Å; L403-L431 HydrophobicContact CD2-CB 4.28Å; L403-L431 HydrophobicContact CD2-CD2 4.11Å; L403-L431 HydrophobicContact CD2-CG 4.17Å; E427-L431 WeakPolarHBondContact O-CB 3.29Å; E427-L431 PolarHBondContact O-N 3.21Å; A428-L431 PolarHBondContact O-N 3.48Å; L429-L431 VanDerWaalsContact C-N 3.32Å; L431-T433 VanDerWaalsContact C-N 3.34Å; L431-T433 PolarHBondContact O-N 3.03Å; L431-L434 HydrophobicContact CD1-CD2 4.46Å; L431-L434 WeakPolarHBondContact O-CB 3.5Å; L431-L434 PolarHBondContact O-N 3.46Å; L431-L434 VanDerWaalsContact O-N 3.16Å; L431-I435 HydrophobicContact CD1-CD1 4.14Å; L431-I435 HydrophobicContact CD1-CG1 4.41Å; L431-I435 HydrophobicContact CD2-CD1 4.49Å; L431-I435 HydrophobicContact CG-CD1 3.85Å; L431-I435 HydrophobicContact CG-CG1 4.5Å; L431-I435 WeakPolarHBondContact O-CG1 3.07Å; L431-I435 PolarHBondContact O-N 3.12Å |
| 432 | A | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.8 | -44.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L403 A428 L429 L434 I435 C436 V445 V449 | L403-A432 HydrophobicContact CD1-CB 4.14Å; L403-A432 HydrophobicContact CD2-CB 3.96Å; A428-A432 WeakPolarHBondContact O-CB 3.48Å; A428-A432 PolarHBondContact O-N 3.48Å; L429-A432 PolarHBondContact O-N 3.4Å; A432-L434 VanDerWaalsContact C-N 3.25Å; A432-L434 PolarHBondContact O-N 2.86Å; A432-I435 PolarHBondContact O-N 3.15Å; A432-C436 WeakPolarHBondContact O-CB 3.39Å; A432-C436 PolarHBondContact O-N 3.01Å; A432-V445 HydrophobicContact CB-CG1 4.12Å; A432-V449 HydrophobicContact CB-CG2 4.04Å |
| 433 | T | 95.9 | Very high | 95.7 | Very high | 31 Ų | 31 | 31.4 Ų | 31.4 | 19% | 0.19 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.7 | -37.1 | 176.5 | -55.2 | 0 | 0 | 0 | 0 | 111.7 | L429 L430 L431 | L429-T433 WeakPolarHBondContact O-CB 3.41Å; L429-T433 PolarHBondContact O-N 3.17Å; L429-T433 PolarHBondContact O-OG1 3.45Å; L430-T433 PolarHBondContact O-N 2.98Å; L431-T433 VanDerWaalsContact C-N 3.34Å; L431-T433 PolarHBondContact O-N 3.03Å |
| 434 | L | 96.1 | Very high | 95.7 | Very high | 9 Ų | 9 | 32.6 Ų | 32.6 | 5% | 0.047 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68.7 | -48.5 | 175.8 | 176.7 | 68.5 | 0 | 0 | 0 | 111.8 | R377 L380 T381 L384 L430 L431 A432 C436 R437 | R377-L434 HydrophobicContact CG-CD2 3.99Å; R377-L434 WeakPolarHBondContact O-CD2 3.45Å; L380-L434 HydrophobicContact CB-CD2 3.88Å; T381-L434 HydrophobicContact CG2-CD1 4.43Å; T381-L434 VanDerWaalsContact OG1-CD2 3.24Å; T381-L434 WeakPolarHBondContact OG1-CD2 3.19Å; L384-L434 HydrophobicContact CD1-CD1 3.8Å; L384-L434 HydrophobicContact CD1-CG 4.02Å; L430-L434 WeakPolarHBondContact O-CB 3.33Å; L430-L434 PolarHBondContact O-N 3.41Å; L431-L434 HydrophobicContact CD1-CD2 4.46Å; L431-L434 WeakPolarHBondContact O-CB 3.5Å; L431-L434 PolarHBondContact O-N 3.46Å; L431-L434 VanDerWaalsContact O-N 3.16Å; A432-L434 VanDerWaalsContact C-N 3.25Å; A432-L434 PolarHBondContact O-N 2.86Å; L434-C436 VanDerWaalsContact C-N 3.29Å; L434-C436 PolarHBondContact O-N 3.42Å; L434-R437 VanDerWaalsContact O-CB 3.24Å; L434-R437 WeakPolarHBondContact O-CB 3.44Å; L434-R437 WeakPolarHBondContact O-CG 3.31Å; L434-R437 PolarHBondContact O-N 3Å |
| 435 | I | 96.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.8 | -34.6 | -178.4 | -63.1 | 165.7 | 0 | 0 | 0 | 110.8 | L380 I390 L399 L403 L431 A432 R437 D438 L441 V445 | L380-I435 HydrophobicContact CD1-CD1 4.43Å; L380-I435 HydrophobicContact CD1-CG1 4.25Å; I390-I435 HydrophobicContact CD1-CG1 4.39Å; I390-I435 HydrophobicContact CD1-CG2 4.39Å; L399-I435 HydrophobicContact CD2-CD1 4.17Å; L403-I435 HydrophobicContact CD1-CD1 4.14Å; L431-I435 HydrophobicContact CD1-CD1 4.14Å; L431-I435 HydrophobicContact CD1-CG1 4.41Å; L431-I435 HydrophobicContact CD2-CD1 4.49Å; L431-I435 HydrophobicContact CG-CD1 3.85Å; L431-I435 HydrophobicContact CG-CG1 4.5Å; L431-I435 WeakPolarHBondContact O-CG1 3.07Å; L431-I435 PolarHBondContact O-N 3.12Å; A432-I435 PolarHBondContact O-N 3.15Å; I435-R437 PolarHBondContact O-N 2.93Å; I435-D438 WeakPolarHBondContact O-CB 3.4Å; I435-D438 PolarHBondContact O-N 2.78Å; I435-L441 HydrophobicContact CG2-CB 3.77Å; I435-L441 HydrophobicContact CG2-CD1 3.72Å; I435-L441 HydrophobicContact CG2-CG 4.39Å; I435-V445 HydrophobicContact CB-CG2 4.05Å; I435-V445 HydrophobicContact CG2-CG2 3.53Å |
| 436 | C | 94.3 | Very high | 95.7 | Very high | 4 Ų | 4 | 33.4 Ų | 33.4 | 3% | 0.027 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -14.5 | 172.3 | -85.1 | 0 | 0 | 0 | 0 | 114.4 | A432 L434 D438 R442 V445 | A432-C436 WeakPolarHBondContact O-CB 3.39Å; A432-C436 PolarHBondContact O-N 3.01Å; L434-C436 VanDerWaalsContact C-N 3.29Å; L434-C436 PolarHBondContact O-N 3.42Å; C436-D438 VanDerWaalsContact C-N 3.27Å; C436-R442 HydrophobicContact CB-CG 4.4Å; C436-R442 VanDerWaalsContact O-CZ 3.25Å; C436-R442 PolarHBondContact O-NE 3.26Å; C436-R442 PolarHBondContact O-NH2 2.93Å; C436-V445 WeakPolarHBondContact SG-CG1 3.48Å |
| 437 | R | 92.1 | Very high | 95.6 | Very high | 165 Ų | 165 | 39.6 Ų | 39.6 | 62% | 0.623 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -23 | 172.4 | -59.7 | -177.8 | -179 | -177.5 | -1.2 | 112.1 | L384 L434 I435 E439 | L384-R437 HydrophobicContact CD1-CB 4.43Å; L434-R437 VanDerWaalsContact O-CB 3.24Å; L434-R437 WeakPolarHBondContact O-CB 3.44Å; L434-R437 WeakPolarHBondContact O-CG 3.31Å; L434-R437 PolarHBondContact O-N 3Å; I435-R437 PolarHBondContact O-N 2.93Å; R437-E439 PolarHBondContact O-N 2.7Å |
| 438 | D | 92.3 | Very high | 95.5 | Very high | 17 Ų | 17 | 40.3 Ų | 40.3 | 9% | 0.091 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -81 | 111.5 | 170.2 | -167.2 | -30.4 | 0 | 0 | 0 | 109.4 | L384 I390 I435 C436 T440 L441 R442 | L384-D438 HydrophobicContact CD2-CB 4.18Å; I390-D438 HydrophobicContact CD1-CB 4.07Å; I435-D438 WeakPolarHBondContact O-CB 3.4Å; I435-D438 PolarHBondContact O-N 2.78Å; C436-D438 VanDerWaalsContact C-N 3.27Å; D438-T440 PolarHBondContact O-N 3.14Å; D438-T440 VanDerWaalsContact O-N 3.12Å; D438-T440 WeakPolarHBondContact OD1-CB 3.42Å; D438-T440 PolarHBondContact OD1-N 3.42Å; D438-T440 PolarHBondContact OD1-OG1 2.9Å; D438-L441 PolarHBondContact O-N 3.39Å; D438-R442 PolarHBondContact O-N 3.48Å |
| 439 | E | 90.5 | Very high | 95.4 | Very high | 140 Ų | 140 | 40.3 Ų | 40.3 | 65% | 0.654 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -30.4 | 179.5 | -60.5 | -71.2 | 137.8 | 0 | 0 | 112.7 | R437 R442 | R437-E439 PolarHBondContact O-N 2.7Å; E439-R442 VanDerWaalsContact CD-CZ 3.5Å; E439-R442 IonicContact OE1-CZ 2.95Å; E439-R442 IonicContact OE1-NH1 3.58Å; E439-R442 PolarHBondContact OE1-NH1 3.03Å; E439-R442 IonicContact OE1-NH2 3.87Å; E439-R442 PolarHBondContact OE1-NH2 2.89Å; E439-R442 IonicContact OE2-CZ 2.63Å; E439-R442 IonicContact OE2-NH1 3.4Å; E439-R442 PolarHBondContact OE2-NH1 3.38Å; E439-R442 IonicContact OE2-NH2 3.4Å; E439-R442 PolarHBondContact OE2-NH2 2.73Å |
| 440 | T | 91.3 | Very high | 95.3 | Very high | 75 Ų | 75 | 42.9 Ų | 42.9 | 46% | 0.46 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -27.7 | -175.4 | 66 | 0 | 0 | 0 | 0 | 113.6 | D438 | D438-T440 PolarHBondContact O-N 3.14Å; D438-T440 VanDerWaalsContact O-N 3.12Å; D438-T440 WeakPolarHBondContact OD1-CB 3.42Å; D438-T440 PolarHBondContact OD1-N 3.42Å; D438-T440 PolarHBondContact OD1-OG1 2.9Å |
| 441 | L | 95.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -12 | -177.9 | -71.1 | 174.3 | 0 | 0 | 0 | 112.8 | I390 L391 S396 L399 I435 D438 S443 D444 V445 | I390-L441 HydrophobicContact CB-CD1 3.78Å; I390-L441 HydrophobicContact CD1-CD1 4.11Å; I390-L441 HydrophobicContact CG2-CD1 3.85Å; L391-L441 HydrophobicContact CD1-CD2 4.33Å; L391-L441 HydrophobicContact CD2-CD2 3.69Å; L391-L441 HydrophobicContact CD2-CG 4.44Å; L391-L441 HydrophobicContact CG-CD1 4.5Å; L391-L441 HydrophobicContact CG-CD2 4.03Å; L391-L441 HydrophobicContact CG-CG 4.29Å; S396-L441 VanDerWaalsContact OG-CD2 3.32Å; S396-L441 WeakPolarHBondContact OG-CD2 3.47Å; L399-L441 HydrophobicContact CD1-CD1 4.03Å; I435-L441 HydrophobicContact CG2-CB 3.77Å; I435-L441 HydrophobicContact CG2-CD1 3.72Å; I435-L441 HydrophobicContact CG2-CG 4.39Å; D438-L441 PolarHBondContact O-N 3.39Å; L441-S443 PolarHBondContact O-N 3.41Å; L441-D444 WeakPolarHBondContact O-CB 3.49Å; L441-D444 PolarHBondContact O-N 2.83Å; L441-D444 VanDerWaalsContact O-N 3.11Å; L441-V445 WeakPolarHBondContact O-CG2 3.2Å; L441-V445 PolarHBondContact O-N 3.44Å |
| 442 | R | 95.1 | Very high | 95.2 | Very high | 25 Ų | 25 | 48.7 Ų | 48.7 | 9% | 0.094 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.4 | -41.9 | -171.3 | -172.7 | -180 | -52.4 | 105.2 | 6.3 | 113.8 | C436 D438 E439 D444 V445 L446 | C436-R442 HydrophobicContact CB-CG 4.4Å; C436-R442 VanDerWaalsContact O-CZ 3.25Å; C436-R442 PolarHBondContact O-NE 3.26Å; C436-R442 PolarHBondContact O-NH2 2.93Å; D438-R442 PolarHBondContact O-N 3.48Å; E439-R442 VanDerWaalsContact CD-CZ 3.5Å; E439-R442 IonicContact OE1-CZ 2.95Å; E439-R442 IonicContact OE1-NH1 3.58Å; E439-R442 PolarHBondContact OE1-NH1 3.03Å; E439-R442 IonicContact OE1-NH2 3.87Å; E439-R442 PolarHBondContact OE1-NH2 2.89Å; E439-R442 IonicContact OE2-CZ 2.63Å; E439-R442 IonicContact OE2-NH1 3.4Å; E439-R442 PolarHBondContact OE2-NH1 3.38Å; E439-R442 IonicContact OE2-NH2 3.4Å; E439-R442 PolarHBondContact OE2-NH2 2.73Å; R442-D444 VanDerWaalsContact C-N 3.26Å; R442-D444 PolarHBondContact O-N 3.24Å; R442-V445 PolarHBondContact O-N 3.39Å; R442-L446 HydrophobicContact CG-CD1 3.93Å; R442-L446 HydrophobicContact CG-CG 4.22Å; R442-L446 WeakPolarHBondContact O-CB 3.42Å; R442-L446 VanDerWaalsContact O-CG 3.28Å; R442-L446 WeakPolarHBondContact O-CG 3.48Å; R442-L446 PolarHBondContact O-N 2.97Å |
| 443 | S | 94.1 | Very high | 95.2 | Very high | 74 Ų | 74 | 49.4 Ų | 49.4 | 52% | 0.517 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -56.9 | -45.5 | 177.3 | 47.5 | 0 | 0 | 0 | 0 | 111.1 | L441 L446 E447 | L441-S443 PolarHBondContact O-N 3.41Å; S443-L446 PolarHBondContact O-N 3.37Å; S443-E447 PolarHBondContact O-N 2.88Å |
| 444 | D | 96.4 | Very high | 95.3 | Very high | 53 Ų | 53 | 48 Ų | 48 | 28% | 0.283 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -67.6 | -40.2 | -176.7 | -53.6 | -1.2 | 0 | 0 | 0 | 110.1 | S396 M400 L441 R442 E447 T448 | S396-D444 PolarHBondContact OG-OD2 2.98Å; M400-D444 HydrophobicContact CE-CB 4.46Å; M400-D444 HydrophobicContact CG-CB 4.02Å; M400-D444 HydrophobicContact SD-CB 3.78Å; L441-D444 WeakPolarHBondContact O-CB 3.49Å; L441-D444 PolarHBondContact O-N 2.83Å; L441-D444 VanDerWaalsContact O-N 3.11Å; R442-D444 VanDerWaalsContact C-N 3.26Å; R442-D444 PolarHBondContact O-N 3.24Å; D444-E447 PolarHBondContact O-N 3.47Å; D444-T448 WeakPolarHBondContact O-CB 3.33Å; D444-T448 PolarHBondContact O-N 3.28Å; D444-T448 PolarHBondContact O-OG1 3.05Å |
| 445 | V | 97.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.5 | -41.2 | 174.4 | 180 | 0 | 0 | 0 | 0 | 111.3 | M400 L403 A432 I435 C436 L441 R442 E447 T448 V449 | M400-V445 HydrophobicContact CE-CG2 3.74Å; M400-V445 HydrophobicContact SD-CG2 4.05Å; L403-V445 HydrophobicContact CD1-CG1 4.26Å; L403-V445 HydrophobicContact CD1-CG2 4.25Å; A432-V445 HydrophobicContact CB-CG1 4.12Å; I435-V445 HydrophobicContact CB-CG2 4.05Å; I435-V445 HydrophobicContact CG2-CG2 3.53Å; C436-V445 WeakPolarHBondContact SG-CG1 3.48Å; L441-V445 WeakPolarHBondContact O-CG2 3.2Å; L441-V445 PolarHBondContact O-N 3.44Å; R442-V445 PolarHBondContact O-N 3.39Å; V445-E447 VanDerWaalsContact C-N 3.31Å; V445-E447 PolarHBondContact O-N 3.36Å; V445-T448 PolarHBondContact O-N 2.89Å; V445-V449 HydrophobicContact CG1-CG2 4Å; V445-V449 WeakPolarHBondContact O-CA 3.37Å; V445-V449 WeakPolarHBondContact O-CB 3.45Å; V445-V449 WeakPolarHBondContact O-CG2 3.4Å; V445-V449 PolarHBondContact O-N 3.27Å |
| 446 | L | 96.6 | Very high | 95.5 | Very high | 23 Ų | 23 | 54.9 Ų | 54.9 | 12% | 0.12 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -71.9 | -24.7 | 179 | -68.7 | 175.4 | 0 | 0 | 0 | 113.1 | R442 S443 F494 Q498 H505 | R442-L446 HydrophobicContact CG-CD1 3.93Å; R442-L446 HydrophobicContact CG-CG 4.22Å; R442-L446 WeakPolarHBondContact O-CB 3.42Å; R442-L446 VanDerWaalsContact O-CG 3.28Å; R442-L446 WeakPolarHBondContact O-CG 3.48Å; R442-L446 PolarHBondContact O-N 2.97Å; S443-L446 PolarHBondContact O-N 3.37Å; L446-F494 HydrophobicContact CD2-CE1 4.35Å; L446-F494 HydrophobicContact CD2-CZ 4.03Å; L446-Q498 HydrophobicContact CD2-CB 3.92Å; L446-Q498 HydrophobicContact CD2-CG 3.78Å; L446-H505 PolarHBondContact O-CE1 2.93Å |
| 447 | E | 95.6 | Very high | 95.6 | Very high | 158 Ų | 158 | 55 Ų | 55 | 74% | 0.738 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -75.8 | -38.6 | 170.5 | -173.3 | 170.4 | -175.9 | 0 | 0 | 111.3 | S443 D444 V445 | S443-E447 PolarHBondContact O-N 2.88Å; D444-E447 PolarHBondContact O-N 3.47Å; V445-E447 VanDerWaalsContact C-N 3.31Å; V445-E447 PolarHBondContact O-N 3.36Å |
| 448 | T | 96.5 | Very high | 95.9 | Very high | 27 Ų | 27 | 47.3 Ų | 47.3 | 17% | 0.166 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -74.6 | -45.6 | 179.1 | -55.2 | 0 | 0 | 0 | 0 | 112.3 | M400 L403 E404 D444 V445 D450 | M400-T448 HydrophobicContact CB-CG2 4.5Å; M400-T448 PolarHBondContact SD-OG1 3.32Å; M400-T448 VanDerWaalsContact SD-OG1 3.38Å; L403-T448 HydrophobicContact CB-CG2 4.2Å; E404-T448 HydrophobicContact CB-CG2 3.95Å; D444-T448 WeakPolarHBondContact O-CB 3.33Å; D444-T448 PolarHBondContact O-N 3.28Å; D444-T448 PolarHBondContact O-OG1 3.05Å; V445-T448 PolarHBondContact O-N 2.89Å; T448-D450 VanDerWaalsContact C-N 3.27Å; T448-D450 PolarHBondContact O-N 2.83Å |
| 449 | V | 96.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -93.3 | 62 | 176.5 | -168.1 | 0 | 0 | 0 | 0 | 108.6 | L407 A432 V445 F494 H505 | L407-V449 HydrophobicContact CD1-CB 4.45Å; L407-V449 HydrophobicContact CD1-CG1 4.23Å; L407-V449 HydrophobicContact CD1-CG2 3.53Å; A432-V449 HydrophobicContact CB-CG2 4.04Å; V445-V449 HydrophobicContact CG1-CG2 4Å; V445-V449 WeakPolarHBondContact O-CA 3.37Å; V445-V449 WeakPolarHBondContact O-CB 3.45Å; V445-V449 WeakPolarHBondContact O-CG2 3.4Å; V445-V449 PolarHBondContact O-N 3.27Å; V449-F494 HydrophobicContact CB-CE1 4.39Å; V449-F494 HydrophobicContact CB-CZ 4.31Å; V449-F494 HydrophobicContact CG1-CE1 3.9Å; V449-F494 HydrophobicContact CG1-CZ 4.18Å; V449-H505 PolarHBondContact O-NE2 2.92Å; V449-H505 VanDerWaalsContact O-NE2 3.09Å |
| 450 | D | 96.1 | Very high | 96.3 | Very high | 57 Ų | 57 | 44.3 Ų | 44.3 | 31% | 0.305 | 24% | 0.236 | S | C | . | . | trans | -70.4 | 168.5 | -175.3 | 78.3 | 1.6 | 0 | 0 | 0 | 113.2 | T448 I452 L453 C454 | T448-D450 VanDerWaalsContact C-N 3.27Å; T448-D450 PolarHBondContact O-N 2.83Å; D450-I452 PolarHBondContact O-N 2.85Å; D450-I452 PolarHBondContact OD1-N 3.18Å; D450-I452 VanDerWaalsContact OD1-N 3.08Å; D450-L453 PolarHBondContact O-N 3.33Å; D450-L453 VanDerWaalsContact OD1-CB 3.3Å; D450-L453 WeakPolarHBondContact OD1-CB 3.44Å; D450-L453 PolarHBondContact OD1-N 2.75Å; D450-C454 PolarHBondContact O-N 3.49Å; D450-C454 PolarHBondContact O-SG 3.14Å | ||
| 451 | T | 96.8 | Very high | 96.5 | Very high | 40 Ų | 40 | 40.8 Ų | 40.8 | 25% | 0.245 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.1 | -25.6 | 179 | 49.8 | 0 | 0 | 0 | 0 | 113.7 | A455 L508 | T451-A455 VanDerWaalsContact O-CB 3.23Å; T451-A455 WeakPolarHBondContact O-CB 3.17Å; T451-A455 PolarHBondContact O-N 3.49Å; T451-L508 HydrophobicContact CG2-CB 4.38Å; T451-L508 HydrophobicContact CG2-CD2 4.25Å; T451-L508 WeakPolarHBondContact O-CD2 3.41Å |
| 452 | I | 97 | Very high | 96.5 | Very high | 124 Ų | 124 | 41.2 Ų | 41.2 | 64% | 0.636 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -73 | -46.6 | -178.7 | -60.9 | 174.8 | 0 | 0 | 0 | 109.1 | D450 A455 H456 | D450-I452 PolarHBondContact O-N 2.85Å; D450-I452 PolarHBondContact OD1-N 3.18Å; D450-I452 VanDerWaalsContact OD1-N 3.08Å; I452-A455 PolarHBondContact O-N 2.9Å; I452-H456 WeakPolarHBondContact O-CB 3.47Å; I452-H456 PolarHBondContact O-N 3.46Å |
| 453 | L | 97.5 | Very high | 96.4 | Very high | 16 Ų | 16 | 45.7 Ų | 45.7 | 8% | 0.084 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.6 | -48.7 | 175.1 | 178.4 | 60.5 | 0 | 0 | 0 | 110.9 | L407 K408 D450 A455 H456 L457 | L407-L453 HydrophobicContact CB-CD1 4.46Å; L407-L453 HydrophobicContact CB-CD2 3.66Å; L407-L453 HydrophobicContact CB-CG 4.5Å; L407-L453 HydrophobicContact CD1-CD2 4.06Å; L407-L453 HydrophobicContact CG-CD2 4.48Å; K408-L453 HydrophobicContact CG-CD1 4.34Å; D450-L453 PolarHBondContact O-N 3.33Å; D450-L453 VanDerWaalsContact OD1-CB 3.3Å; D450-L453 WeakPolarHBondContact OD1-CB 3.44Å; D450-L453 PolarHBondContact OD1-N 2.75Å; L453-A455 VanDerWaalsContact C-N 3.35Å; L453-A455 PolarHBondContact O-N 2.91Å; L453-H456 PolarHBondContact O-N 2.86Å; L453-L457 HydrophobicContact CD1-CD1 4.4Å; L453-L457 HydrophobicContact CD1-CG 4.33Å; L453-L457 HydrophobicContact CG-CD1 4.37Å; L453-L457 WeakPolarHBondContact O-CG 3.49Å; L453-L457 PolarHBondContact O-N 3.19Å |
| 454 | C | 98 | Very high | 96.2 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.007 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.3 | -47.2 | 176.2 | -69 | 0 | 0 | 0 | 0 | 112 | D450 H456 L457 V458 V491 L495 L508 | D450-C454 PolarHBondContact O-N 3.49Å; D450-C454 PolarHBondContact O-SG 3.14Å; C454-H456 VanDerWaalsContact C-N 3.33Å; C454-H456 PolarHBondContact O-N 2.84Å; C454-L457 PolarHBondContact O-N 2.96Å; C454-V458 WeakPolarHBondContact O-CG2 3.26Å; C454-V458 PolarHBondContact O-N 3.15Å; C454-V491 HydrophobicContact CB-CG1 3.75Å; C454-L495 HydrophobicContact CB-CD1 4.4Å; C454-L495 HydrophobicContact CB-CD2 4.17Å; C454-L508 HydrophobicContact CB-CD2 3.82Å |
| 455 | A | 97.6 | Very high | 96 | Very high | 28 Ų | 28 | 42.1 Ų | 42.1 | 23% | 0.231 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.5 | -42.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | T451 I452 L453 V458 Q459 L508 | T451-A455 VanDerWaalsContact O-CB 3.23Å; T451-A455 WeakPolarHBondContact O-CB 3.17Å; T451-A455 PolarHBondContact O-N 3.49Å; I452-A455 PolarHBondContact O-N 2.9Å; L453-A455 VanDerWaalsContact C-N 3.35Å; L453-A455 PolarHBondContact O-N 2.91Å; A455-V458 PolarHBondContact O-N 2.88Å; A455-Q459 WeakPolarHBondContact O-CB 3.34Å; A455-Q459 VanDerWaalsContact O-CG 3.28Å; A455-Q459 WeakPolarHBondContact O-CG 3.42Å; A455-Q459 PolarHBondContact O-N 2.84Å; A455-L508 HydrophobicContact CB-CD1 4.15Å; A455-L508 HydrophobicContact CB-CD2 4.26Å |
| 456 | H | 97.7 | Very high | 95.7 | Very high | 126 Ų | 126 | 44 Ų | 44 | 58% | 0.583 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -62.1 | -47.9 | 178.2 | -178 | -94 | 0 | 0 | 0 | 112.2 | I452 L453 C454 V458 Q459 F460 | I452-H456 WeakPolarHBondContact O-CB 3.47Å; I452-H456 PolarHBondContact O-N 3.46Å; L453-H456 PolarHBondContact O-N 2.86Å; C454-H456 VanDerWaalsContact C-N 3.33Å; C454-H456 PolarHBondContact O-N 2.84Å; H456-V458 VanDerWaalsContact C-N 3.33Å; H456-V458 PolarHBondContact O-N 3.48Å; H456-Q459 PolarHBondContact O-N 3.49Å; H456-F460 WeakPolarHBondContact O-CB 3.42Å; H456-F460 PolarHBondContact O-N 3.3Å |
| 457 | L | 97.5 | Very high | 95.2 | Very high | 6 Ų | 6 | 42.9 Ų | 42.9 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.4 | -43.8 | 177.6 | -69.5 | 176.8 | 0 | 0 | 0 | 111.7 | I425 L429 L453 C454 Q461 V491 | I425-L457 HydrophobicContact CD1-CD2 4.17Å; I425-L457 HydrophobicContact CG2-CD1 4.16Å; I425-L457 HydrophobicContact CG2-CD2 3.95Å; L429-L457 HydrophobicContact CD2-CD1 4.36Å; L453-L457 HydrophobicContact CD1-CD1 4.4Å; L453-L457 HydrophobicContact CD1-CG 4.33Å; L453-L457 HydrophobicContact CG-CD1 4.37Å; L453-L457 WeakPolarHBondContact O-CG 3.49Å; L453-L457 PolarHBondContact O-N 3.19Å; C454-L457 PolarHBondContact O-N 2.96Å; L457-Q461 WeakPolarHBondContact O-CG 3.3Å; L457-Q461 PolarHBondContact O-N 3.14Å; L457-V491 HydrophobicContact CB-CG2 4.3Å; L457-V491 HydrophobicContact CD1-CG2 4.15Å |
| 458 | V | 97.7 | Very high | 94.7 | Very high | 3 Ų | 3 | 36.7 Ų | 36.7 | 2% | 0.018 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.7 | -47.1 | 177.8 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | C454 A455 H456 F460 Q461 L462 V491 V492 L512 | C454-V458 WeakPolarHBondContact O-CG2 3.26Å; C454-V458 PolarHBondContact O-N 3.15Å; A455-V458 PolarHBondContact O-N 2.88Å; H456-V458 VanDerWaalsContact C-N 3.33Å; H456-V458 PolarHBondContact O-N 3.48Å; V458-F460 VanDerWaalsContact C-N 3.31Å; V458-F460 PolarHBondContact O-N 3.31Å; V458-Q461 PolarHBondContact O-N 3.31Å; V458-Q461 VanDerWaalsContact O-N 3.17Å; V458-L462 HydrophobicContact CG1-CD1 3.78Å; V458-L462 HydrophobicContact CG1-CG 4.04Å; V458-L462 VanDerWaalsContact O-CG 3.31Å; V458-L462 WeakPolarHBondContact O-CG 3.49Å; V458-L462 PolarHBondContact O-N 2.9Å; V458-V491 HydrophobicContact CG2-CB 3.97Å; V458-V491 HydrophobicContact CG2-CG1 3.62Å; V458-V492 HydrophobicContact CG2-CG2 4.45Å; V458-L512 HydrophobicContact CB-CD1 4.35Å; V458-L512 HydrophobicContact CG1-CD1 4.17Å; V458-L512 HydrophobicContact CG1-CD2 3.81Å; V458-L512 HydrophobicContact CG2-CD1 4.06Å |
| 459 | Q | 96.2 | Very high | 93.6 | Very high | 61 Ų | 61 | 40.3 Ų | 40.3 | 29% | 0.285 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.4 | -39.5 | 179.5 | -71.9 | -49.7 | -50.3 | 0 | 0 | 112 | A455 H456 Q461 L462 L463 | A455-Q459 WeakPolarHBondContact O-CB 3.34Å; A455-Q459 VanDerWaalsContact O-CG 3.28Å; A455-Q459 WeakPolarHBondContact O-CG 3.42Å; A455-Q459 PolarHBondContact O-N 2.84Å; H456-Q459 PolarHBondContact O-N 3.49Å; Q459-Q461 VanDerWaalsContact C-N 3.35Å; Q459-Q461 PolarHBondContact O-N 3.47Å; Q459-L462 PolarHBondContact O-N 3.12Å; Q459-L463 WeakPolarHBondContact O-CB 3.41Å; Q459-L463 VanDerWaalsContact O-CG 3.24Å; Q459-L463 WeakPolarHBondContact O-CG 3.22Å; Q459-L463 PolarHBondContact O-N 3.12Å |
| 460 | F | 95.3 | Very high | 92.1 | Very high | 33 Ų | 33 | 42.4 Ų | 42.4 | 15% | 0.145 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.1 | -49 | 174.3 | 178.8 | -91.8 | 0 | 0 | 0 | 111.2 | L411 T413 H456 V458 L462 L463 S464 | L411-F460 HydrophobicContact CB-CD1 4.25Å; L411-F460 HydrophobicContact CB-CD2 4.46Å; L411-F460 HydrophobicContact CB-CE1 3.67Å; L411-F460 HydrophobicContact CB-CE2 3.9Å; L411-F460 HydrophobicContact CB-CZ 3.47Å; L411-F460 VanDerWaalsContact CB-CZ 3.47Å; L411-F460 HydrophobicContact CD1-CD1 3.75Å; L411-F460 HydrophobicContact CD1-CE1 3.64Å; L411-F460 HydrophobicContact CD1-CZ 4.33Å; L411-F460 HydrophobicContact CG-CE1 4.33Å; L411-F460 WeakPolarHBondContact O-CE2 3.36Å; T413-F460 HydrophobicContact CG2-CZ 4.21Å; H456-F460 WeakPolarHBondContact O-CB 3.42Å; H456-F460 PolarHBondContact O-N 3.3Å; V458-F460 VanDerWaalsContact C-N 3.31Å; V458-F460 PolarHBondContact O-N 3.31Å; F460-L462 PolarHBondContact O-N 2.92Å; F460-L463 PolarHBondContact O-N 3.13Å; F460-S464 WeakPolarHBondContact O-CB 3.28Å; F460-S464 PolarHBondContact O-N 3.37Å |
| 461 | Q | 95.6 | Very high | 90.2 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.4 | -40.8 | 178.9 | -64.6 | -58.9 | -27.2 | 0 | 0 | 112 | L457 V458 Q459 L463 N465 L488 F521 | L457-Q461 WeakPolarHBondContact O-CG 3.3Å; L457-Q461 PolarHBondContact O-N 3.14Å; V458-Q461 PolarHBondContact O-N 3.31Å; V458-Q461 VanDerWaalsContact O-N 3.17Å; Q459-Q461 VanDerWaalsContact C-N 3.35Å; Q459-Q461 PolarHBondContact O-N 3.47Å; Q461-L463 VanDerWaalsContact C-N 3.25Å; Q461-L463 PolarHBondContact O-N 2.91Å; Q461-N465 WeakPolarHBondContact O-CB 3.28Å; Q461-N465 PolarHBondContact O-N 3.26Å; Q461-N465 VanDerWaalsContact O-N 3.15Å; Q461-N465 PolarHBondContact OE1-ND2 2.95Å; Q461-L488 HydrophobicContact CB-CB 3.93Å; Q461-L488 HydrophobicContact CB-CD1 3.72Å; Q461-L488 HydrophobicContact CB-CG 4.39Å; Q461-L488 HydrophobicContact CG-CB 4.09Å; Q461-F521 WeakPolarHBondContact O-CZ 3.44Å |
| 462 | L | 94.5 | Very high | 88.2 | Confident | 10 Ų | 10 | 43.8 Ų | 43.8 | 5% | 0.052 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64.4 | -27.1 | 177.5 | -68.3 | 179.4 | 0 | 0 | 0 | 113.7 | V458 Q459 F460 A468 L488 R517 F521 | V458-L462 HydrophobicContact CG1-CD1 3.78Å; V458-L462 HydrophobicContact CG1-CG 4.04Å; V458-L462 VanDerWaalsContact O-CG 3.31Å; V458-L462 WeakPolarHBondContact O-CG 3.49Å; V458-L462 PolarHBondContact O-N 2.9Å; Q459-L462 PolarHBondContact O-N 3.12Å; F460-L462 PolarHBondContact O-N 2.92Å; L462-A468 WeakPolarHBondContact O-CB 2.97Å; L462-L488 HydrophobicContact CD2-CD1 3.74Å; L462-L488 HydrophobicContact CG-CD1 4.13Å; L462-R517 HydrophobicContact CD1-CB 4.38Å; L462-R517 HydrophobicContact CD2-CB 3.94Å; L462-F521 HydrophobicContact CD2-CD2 4.1Å; L462-F521 HydrophobicContact CD2-CE2 3.66Å; L462-F521 HydrophobicContact CD2-CZ 4.43Å |
| 463 | L | 92.3 | Very high | 86.2 | Confident | 118 Ų | 118 | 39.5 Ų | 39.5 | 62% | 0.618 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -96.4 | -42.1 | -176.9 | -68 | 172.8 | 0 | 0 | 0 | 113.2 | Q459 F460 Q461 | Q459-L463 WeakPolarHBondContact O-CB 3.41Å; Q459-L463 VanDerWaalsContact O-CG 3.24Å; Q459-L463 WeakPolarHBondContact O-CG 3.22Å; Q459-L463 PolarHBondContact O-N 3.12Å; F460-L463 PolarHBondContact O-N 3.13Å; Q461-L463 VanDerWaalsContact C-N 3.25Å; Q461-L463 PolarHBondContact O-N 2.91Å |
| 464 | S | 91.6 | Very high | 84.1 | Confident | 51 Ų | 51 | 44.4 Ų | 44.4 | 36% | 0.357 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -100.1 | -25.2 | -169.2 | -59.6 | 0 | 0 | 0 | 0 | 113.3 | F460 W480 | F460-S464 WeakPolarHBondContact O-CB 3.28Å; F460-S464 PolarHBondContact O-N 3.37Å; S464-W480 WeakPolarHBondContact O-CH2 3.34Å |
| 465 | N | 92.4 | Very high | 82.3 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | trans | -73.5 | 126.2 | -174.8 | -166.2 | -53.4 | 0 | 0 | 0 | 111.1 | Q461 V467 A468 W480 S481 F521 | Q461-N465 WeakPolarHBondContact O-CB 3.28Å; Q461-N465 PolarHBondContact O-N 3.26Å; Q461-N465 VanDerWaalsContact O-N 3.15Å; Q461-N465 PolarHBondContact OE1-ND2 2.95Å; N465-V467 PolarHBondContact O-N 3.3Å; N465-V467 WeakPolarHBondContact OD1-CB 3.43Å; N465-V467 WeakPolarHBondContact OD1-CG2 3.44Å; N465-V467 PolarHBondContact OD1-N 2.68Å; N465-A468 VanDerWaalsContact O-CB 3.31Å; N465-A468 WeakPolarHBondContact O-CB 3.42Å; N465-A468 PolarHBondContact O-N 3.49Å; N465-W480 HydrophobicContact CB-CZ3 4.36Å; N465-S481 PolarHBondContact ND2-O 2.81Å; N465-S481 PolarHBondContact OD1-OG 3.49Å; N465-F521 HydrophobicContact CB-CE1 3.91Å; N465-F521 HydrophobicContact CB-CZ 3.97Å | ||
| 466 | P | 89.2 | Confident | 81.1 | Confident | 39 Ų | 39 | 54.4 Ų | 54.4 | 25% | 0.253 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.3 | -23 | -178.1 | -24.4 | 33.4 | 0 | 0 | 0 | 114.6 | A468 S469 S470 Y477 P478 | P466-A468 PolarHBondContact O-N 2.97Å; P466-S469 PolarHBondContact O-N 2.87Å; P466-S470 PolarHBondContact O-N 3.29Å; P466-Y477 HydrophobicContact CB-CD1 4Å; P466-Y477 HydrophobicContact CB-CE1 4.18Å; P466-P478 HydrophobicContact CG-CG 4Å |
| 467 | V | 88 | Confident | 80.3 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.1 | -30.2 | 174.3 | 174.9 | 0 | 0 | 0 | 0 | 111.7 | N465 Y477 V485 P520 F521 F524 | N465-V467 PolarHBondContact O-N 3.3Å; N465-V467 WeakPolarHBondContact OD1-CB 3.43Å; N465-V467 WeakPolarHBondContact OD1-CG2 3.44Å; N465-V467 PolarHBondContact OD1-N 2.68Å; V467-Y477 HydrophobicContact CG2-CD1 4.14Å; V467-Y477 HydrophobicContact CG2-CE1 3.78Å; V467-V485 HydrophobicContact CG2-CG2 4.01Å; V467-P520 HydrophobicContact CG1-CB 4.43Å; V467-P520 VanDerWaalsContact O-CB 3.28Å; V467-P520 WeakPolarHBondContact O-CB 3.4Å; V467-F521 HydrophobicContact CB-CD1 4.28Å; V467-F521 HydrophobicContact CB-CE1 4.04Å; V467-F521 HydrophobicContact CB-CZ 4.5Å; V467-F521 HydrophobicContact CG1-CD1 3.95Å; V467-F521 HydrophobicContact CG1-CE1 4.18Å; V467-F521 HydrophobicContact CG1-CG 4.24Å; V467-F524 HydrophobicContact CG1-CB 3.95Å; V467-F524 HydrophobicContact CG1-CG 4.28Å; V467-F524 HydrophobicContact CG2-CD2 4.34Å |
| 468 | A | 85 | Confident | 79.7 | Confident | 28 Ų | 28 | 52.8 Ų | 52.8 | 23% | 0.231 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68.2 | -42 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L462 N465 P466 F521 | L462-A468 WeakPolarHBondContact O-CB 2.97Å; N465-A468 VanDerWaalsContact O-CB 3.31Å; N465-A468 WeakPolarHBondContact O-CB 3.42Å; N465-A468 PolarHBondContact O-N 3.49Å; P466-A468 PolarHBondContact O-N 2.97Å; A468-F521 HydrophobicContact CB-CE2 3.85Å; A468-F521 HydrophobicContact CB-CZ 3.86Å |
| 469 | S | 73.3 | Confident | 79 | Confident | 104 Ų | 104 | 58.3 Ų | 58.3 | 73% | 0.727 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -96.1 | -31.9 | -170 | -60.9 | 0 | 0 | 0 | 0 | 113.8 | P466 | P466-S469 PolarHBondContact O-N 2.87Å |
| 470 | S | 63.8 | Low | 78.8 | Confident | 44 Ų | 44 | 56.4 Ų | 56.4 | 31% | 0.308 | 33% | 0.327 | S | S | . | . | trans | -136.3 | 73.1 | -169.3 | -163.9 | 0 | 0 | 0 | 0 | 112.7 | P466 L472 S473 Y477 | P466-S470 PolarHBondContact O-N 3.29Å; S470-L472 PolarHBondContact O-N 2.88Å; S470-S473 PolarHBondContact O-N 3.43Å; S470-S473 WeakPolarHBondContact OG-CB 3.31Å; S470-S473 PolarHBondContact OG-N 3.15Å; S470-Y477 PolarHBondContact O-OH 2.9Å | ||
| 471 | P | 57.5 | Low | 78.7 | Confident | 22 Ų | 22 | 54.8 Ų | 54.8 | 14% | 0.143 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -0.7 | 168.7 | 26.6 | -33.2 | 0 | 0 | 0 | 113.5 | L558 Q562 | P471-L558 HydrophobicContact CB-CD2 4.46Å; P471-L558 HydrophobicContact CG-CD2 4.15Å; P471-Q562 VanDerWaalsContact CB-NE2 3.34Å |
| 472 | L | 54.9 | Low | 78.5 | Confident | 103 Ų | 103 | 56.7 Ų | 56.7 | 54% | 0.539 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.9 | 6.4 | -174.4 | -69.8 | 163.1 | 0 | 0 | 0 | 113.4 | S470 M474 K561 | S470-L472 PolarHBondContact O-N 2.88Å; L472-M474 PolarHBondContact O-N 3.04Å; L472-K561 HydrophobicContact CD2-CB 4.39Å; L472-K561 HydrophobicContact CD2-CG 4.49Å |
| 473 | S | 55.6 | Low | 78.5 | Confident | 34 Ų | 34 | 57 Ų | 57 | 24% | 0.238 | 33% | 0.331 | C | S | . | . | trans | -62.5 | 122.1 | 179 | -175.6 | 0 | 0 | 0 | 0 | 110.5 | S470 D475 | S470-S473 PolarHBondContact O-N 3.43Å; S470-S473 WeakPolarHBondContact OG-CB 3.31Å; S470-S473 PolarHBondContact OG-N 3.15Å; S473-D475 WeakPolarHBondContact OG-CB 3.39Å; S473-D475 PolarHBondContact OG-N 3.35Å; S473-D475 VanDerWaalsContact OG-N 3.11Å; S473-D475 PolarHBondContact OG-O 3.3Å; S473-D475 VanDerWaalsContact OG-O 3.14Å | ||
| 474 | M | 52 | Low | 78.7 | Confident | 119 Ų | 119 | 51.4 Ų | 51.4 | 59% | 0.586 | 30% | 0.301 | S | S | * | . | trans | -72.9 | -19.7 | 165.5 | -70.6 | -74.4 | -76.7 | 0 | 0 | 111.1 | L472 H569 | L472-M474 PolarHBondContact O-N 3.04Å; M474-H569 PolarHBondContact O-CE1 3.39Å; M474-H569 VanDerWaalsContact O-CE1 3.25Å | ||
| 475 | D | 60.7 | Low | 78.8 | Confident | 119 Ų | 119 | 49 Ų | 49 | 64% | 0.636 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -73.8 | 136.7 | 177.3 | -60.1 | -33.5 | 0 | 0 | 0 | 109.6 | S473 Y477 | S473-D475 WeakPolarHBondContact OG-CB 3.39Å; S473-D475 PolarHBondContact OG-N 3.35Å; S473-D475 VanDerWaalsContact OG-N 3.11Å; S473-D475 PolarHBondContact OG-O 3.3Å; S473-D475 VanDerWaalsContact OG-O 3.14Å; D475-Y477 PolarHBondContact O-N 2.9Å |
| 476 | P | 71.9 | Confident | 79 | Confident | 121 Ų | 121 | 49.9 Ų | 49.9 | 79% | 0.786 | 29% | 0.289 | S | S | * | . | P | Polyproline II helix | trans | -57.3 | 132.1 | 174.8 | 24.7 | -32.5 | 0 | 0 | 0 | 109.4 | ||
| 477 | Y | 81.5 | Confident | 79.4 | Confident | 47 Ų | 47 | 48 Ų | 48 | 18% | 0.184 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -56.8 | 143.1 | 174.6 | -69.3 | -75.6 | 0 | 0 | 0 | 110.1 | P466 V467 S470 D475 F524 | P466-Y477 HydrophobicContact CB-CD1 4Å; P466-Y477 HydrophobicContact CB-CE1 4.18Å; V467-Y477 HydrophobicContact CG2-CD1 4.14Å; V467-Y477 HydrophobicContact CG2-CE1 3.78Å; S470-Y477 PolarHBondContact O-OH 2.9Å; D475-Y477 PolarHBondContact O-N 2.9Å; Y477-F524 HydrophobicContact CD2-CE2 4.39Å; Y477-F524 HydrophobicContact CE2-CE2 4.09Å |
| 478 | P | 85.7 | Confident | 79.9 | Confident | 51 Ų | 51 | 48 Ų | 48 | 33% | 0.331 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 147.6 | 174.6 | 28.3 | -33.6 | 0 | 0 | 0 | 109.7 | P466 W480 S481 | P466-P478 HydrophobicContact CG-CG 4Å; P478-W480 HydrophobicContact CG-CZ2 4.24Å; P478-W480 PolarHBondContact O-N 2.91Å; P478-W480 VanDerWaalsContact O-N 3.08Å; P478-S481 WeakPolarHBondContact O-CB 3.29Å; P478-S481 PolarHBondContact O-N 3.44Å |
| 479 | D | 82.9 | Confident | 80.5 | Confident | 119 Ų | 119 | 46.7 Ų | 46.7 | 64% | 0.636 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -54.3 | -36.8 | -170.8 | -66.2 | -16.1 | 0 | 0 | 0 | 114 | R419 S481 | R419-D479 HydrophobicContact CG-CB 4.43Å; D479-S481 VanDerWaalsContact C-N 3.28Å; D479-S481 PolarHBondContact O-N 2.94Å |
| 480 | W | 91.9 | Very high | 81.6 | Confident | 20 Ų | 20 | 42.4 Ų | 42.4 | 8% | 0.076 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69.2 | -23.3 | 178.5 | 68.8 | -97.9 | 0 | 0 | 0 | 113.3 | T413 I418 S464 N465 P478 I482 I483 G484 | T413-W480 HydrophobicContact CG2-CH2 3.73Å; T413-W480 HydrophobicContact CG2-CZ2 3.55Å; I418-W480 HydrophobicContact CB-CG 4.49Å; I418-W480 HydrophobicContact CG1-CB 4.01Å; I418-W480 HydrophobicContact CG1-CD2 4.08Å; I418-W480 HydrophobicContact CG1-CG 3.76Å; I418-W480 HydrophobicContact CG2-CB 4.12Å; I418-W480 VanDerWaalsContact CG2-CD1 3.45Å; I418-W480 HydrophobicContact CG2-CG 3.92Å; S464-W480 WeakPolarHBondContact O-CH2 3.34Å; N465-W480 HydrophobicContact CB-CZ3 4.36Å; P478-W480 HydrophobicContact CG-CZ2 4.24Å; P478-W480 PolarHBondContact O-N 2.91Å; P478-W480 VanDerWaalsContact O-N 3.08Å; W480-I482 PolarHBondContact O-N 3.08Å; W480-I483 PolarHBondContact O-N 3.03Å; W480-G484 PolarHBondContact O-N 2.96Å |
| 481 | S | 92.4 | Very high | 83.2 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.7 | -46.7 | -176.3 | 173 | 0 | 0 | 0 | 0 | 111.4 | N465 P478 D479 I483 G484 V485 | N465-S481 PolarHBondContact ND2-O 2.81Å; N465-S481 PolarHBondContact OD1-OG 3.49Å; P478-S481 WeakPolarHBondContact O-CB 3.29Å; P478-S481 PolarHBondContact O-N 3.44Å; D479-S481 VanDerWaalsContact C-N 3.28Å; D479-S481 PolarHBondContact O-N 2.94Å; S481-I483 VanDerWaalsContact C-N 3.33Å; S481-I483 PolarHBondContact O-N 3.39Å; S481-G484 CarbonylContact O-C 3.6Å; S481-G484 WeakPolarHBondContact O-CA 3.32Å; S481-G484 PolarHBondContact O-N 3.23Å; S481-G484 VanDerWaalsContact O-N 3.08Å; S481-V485 WeakPolarHBondContact O-CG2 3.25Å; S481-V485 PolarHBondContact O-N 3Å |
| 482 | I | 91.7 | Very high | 85.2 | Confident | 41 Ų | 41 | 39.4 Ų | 39.4 | 21% | 0.21 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.9 | -37.9 | -178 | -53.6 | 174.2 | 0 | 0 | 0 | 110.7 | W480 G484 V485 N486 F524 | W480-I482 PolarHBondContact O-N 3.08Å; I482-G484 VanDerWaalsContact C-N 3.27Å; I482-G484 PolarHBondContact O-N 2.88Å; I482-V485 WeakPolarHBondContact O-CB 3.27Å; I482-V485 PolarHBondContact O-N 2.9Å; I482-N486 PolarHBondContact O-N 3.28Å; I482-N486 VanDerWaalsContact O-N 3.12Å; I482-F524 HydrophobicContact CG1-CZ 4.33Å; I482-F524 HydrophobicContact CG2-CE1 4.48Å |
| 483 | I | 94.7 | Very high | 87.2 | Confident | 16 Ų | 16 | 35 Ų | 35 | 8% | 0.082 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.4 | -39.8 | 172.8 | -60 | 154.8 | 0 | 0 | 0 | 109.6 | R419 L423 W480 S481 V485 N486 I487 | R419-I483 HydrophobicContact CG-CD1 3.75Å; L423-I483 HydrophobicContact CD1-CD1 4.27Å; L423-I483 HydrophobicContact CD2-CD1 3.74Å; L423-I483 HydrophobicContact CD2-CG1 3.84Å; L423-I483 HydrophobicContact CD2-CG2 3.99Å; L423-I483 HydrophobicContact CG-CD1 3.66Å; L423-I483 HydrophobicContact CG-CG1 4.28Å; L423-I483 HydrophobicContact CG-CG2 4.3Å; W480-I483 PolarHBondContact O-N 3.03Å; S481-I483 VanDerWaalsContact C-N 3.33Å; S481-I483 PolarHBondContact O-N 3.39Å; I483-V485 VanDerWaalsContact C-N 3.32Å; I483-V485 PolarHBondContact O-N 3.27Å; I483-N486 CarbonylContact O-C 3.56Å; I483-N486 WeakPolarHBondContact O-CA 3.44Å; I483-N486 VanDerWaalsContact O-CB 3.28Å; I483-N486 WeakPolarHBondContact O-CB 3.41Å; I483-N486 PolarHBondContact O-N 3.46Å; I483-I487 HydrophobicContact CG2-CD1 4.4Å; I483-I487 WeakPolarHBondContact O-CG1 3.46Å; I483-I487 PolarHBondContact O-N 2.89Å |
| 484 | G | 95.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.7 | -38.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114 | W480 S481 I482 I487 L488 | W480-G484 PolarHBondContact O-N 2.96Å; S481-G484 CarbonylContact O-C 3.6Å; S481-G484 WeakPolarHBondContact O-CA 3.32Å; S481-G484 PolarHBondContact O-N 3.23Å; S481-G484 VanDerWaalsContact O-N 3.08Å; I482-G484 VanDerWaalsContact C-N 3.27Å; I482-G484 PolarHBondContact O-N 2.88Å; G484-I487 PolarHBondContact O-N 3Å; G484-L488 WeakPolarHBondContact O-CB 3.28Å; G484-L488 PolarHBondContact O-N 2.96Å |
| 485 | V | 95.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.9 | -43.6 | 171.2 | -176 | 0 | 0 | 0 | 0 | 110.8 | V467 S481 I482 I483 I487 L488 L489 F521 F524 L533 | V467-V485 HydrophobicContact CG2-CG2 4.01Å; S481-V485 WeakPolarHBondContact O-CG2 3.25Å; S481-V485 PolarHBondContact O-N 3Å; I482-V485 WeakPolarHBondContact O-CB 3.27Å; I482-V485 PolarHBondContact O-N 2.9Å; I483-V485 VanDerWaalsContact C-N 3.32Å; I483-V485 PolarHBondContact O-N 3.27Å; V485-I487 PolarHBondContact O-N 3.28Å; V485-L488 PolarHBondContact O-N 3.44Å; V485-L489 HydrophobicContact CG1-CD1 4.1Å; V485-L489 HydrophobicContact CG1-CG 4.35Å; V485-L489 WeakPolarHBondContact O-CG 3.46Å; V485-L489 PolarHBondContact O-N 3.12Å; V485-F521 HydrophobicContact CB-CD1 4.44Å; V485-F521 HydrophobicContact CG1-CD1 4.27Å; V485-F521 HydrophobicContact CG2-CD1 3.95Å; V485-F521 HydrophobicContact CG2-CE1 4.35Å; V485-F524 HydrophobicContact CG1-CD1 4.07Å; V485-F524 HydrophobicContact CG1-CE1 4.46Å; V485-F524 HydrophobicContact CG2-CD1 4.15Å; V485-F524 HydrophobicContact CG2-CE1 4.18Å; V485-L533 HydrophobicContact CG1-CD2 3.95Å |
| 486 | N | 95.9 | Very high | 92.9 | Very high | 20 Ų | 20 | 23.2 Ų | 23.2 | 11% | 0.107 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.1 | -45.5 | 175.8 | -66.8 | -23.8 | 0 | 0 | 0 | 111.2 | Y426 I482 I483 T490 L533 | Y426-N486 HydrophobicContact CD2-CB 3.69Å; Y426-N486 HydrophobicContact CE2-CB 3.5Å; Y426-N486 VanDerWaalsContact CE2-CB 3.5Å; Y426-N486 HydrophobicContact CG-CB 4.31Å; I482-N486 PolarHBondContact O-N 3.28Å; I482-N486 VanDerWaalsContact O-N 3.12Å; I483-N486 CarbonylContact O-C 3.56Å; I483-N486 WeakPolarHBondContact O-CA 3.44Å; I483-N486 VanDerWaalsContact O-CB 3.28Å; I483-N486 WeakPolarHBondContact O-CB 3.41Å; I483-N486 PolarHBondContact O-N 3.46Å; N486-T490 WeakPolarHBondContact O-CB 3.36Å; N486-T490 PolarHBondContact O-N 3.37Å; N486-T490 PolarHBondContact O-OG1 3.14Å; N486-L533 WeakPolarHBondContact OD1-CD2 3.08Å; N486-L533 WeakPolarHBondContact OD1-CG 3.43Å |
| 487 | I | 97.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -56.1 | -55.5 | 176.3 | -67.1 | 169.6 | 0 | 0 | 0 | 109.8 | S422 I425 L429 I483 G484 V485 L489 T490 V491 | S422-I487 WeakPolarHBondContact O-CD1 3.3Å; I425-I487 HydrophobicContact CB-CD1 4.18Å; I425-I487 HydrophobicContact CG2-CD1 4.08Å; I425-I487 HydrophobicContact CG2-CG1 4.3Å; I425-I487 HydrophobicContact CG2-CG2 4.1Å; L429-I487 HydrophobicContact CD1-CB 4.36Å; L429-I487 HydrophobicContact CD1-CG2 3.8Å; I483-I487 HydrophobicContact CG2-CD1 4.4Å; I483-I487 WeakPolarHBondContact O-CG1 3.46Å; I483-I487 PolarHBondContact O-N 2.89Å; G484-I487 PolarHBondContact O-N 3Å; V485-I487 PolarHBondContact O-N 3.28Å; I487-L489 PolarHBondContact O-N 3.43Å; I487-T490 PolarHBondContact O-N 3.2Å; I487-V491 HydrophobicContact CG2-CG2 4.44Å; I487-V491 WeakPolarHBondContact O-CG2 3.17Å; I487-V491 PolarHBondContact O-N 3.38Å |
| 488 | L | 97.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -58 | -49.1 | -176.5 | 175.3 | 157.2 | 0 | 0 | 0 | 111.5 | Q461 L462 G484 V485 T490 V491 V492 L518 F521 | Q461-L488 HydrophobicContact CB-CB 3.93Å; Q461-L488 HydrophobicContact CB-CD1 3.72Å; Q461-L488 HydrophobicContact CB-CG 4.39Å; Q461-L488 HydrophobicContact CG-CB 4.09Å; L462-L488 HydrophobicContact CD2-CD1 3.74Å; L462-L488 HydrophobicContact CG-CD1 4.13Å; G484-L488 WeakPolarHBondContact O-CB 3.28Å; G484-L488 PolarHBondContact O-N 2.96Å; V485-L488 PolarHBondContact O-N 3.44Å; L488-T490 VanDerWaalsContact C-N 3.33Å; L488-T490 PolarHBondContact O-N 3.47Å; L488-V491 PolarHBondContact O-N 2.83Å; L488-V492 WeakPolarHBondContact O-CG2 3.31Å; L488-V492 PolarHBondContact O-N 2.71Å; L488-V492 VanDerWaalsContact O-N 3.08Å; L488-L518 HydrophobicContact CD2-CD1 3.41Å; L488-L518 VanDerWaalsContact CD2-CD1 3.41Å; L488-L518 HydrophobicContact CG-CD1 4.49Å; L488-F521 HydrophobicContact CD1-CD1 3.98Å; L488-F521 HydrophobicContact CD1-CD2 4.05Å; L488-F521 HydrophobicContact CD1-CE1 3.98Å; L488-F521 HydrophobicContact CD1-CE2 4.06Å; L488-F521 HydrophobicContact CD1-CG 4.02Å; L488-F521 HydrophobicContact CD1-CZ 4.02Å; L488-F521 HydrophobicContact CD2-CB 4.24Å; L488-F521 HydrophobicContact CD2-CG 4.3Å |
| 489 | L | 97.4 | Very high | 94.8 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -69 | -33.2 | -179.6 | -66.2 | -176.8 | 0 | 0 | 0 | 112.6 | V485 I487 V492 C493 L518 L522 A525 L533 C536 L540 | V485-L489 HydrophobicContact CG1-CD1 4.1Å; V485-L489 HydrophobicContact CG1-CG 4.35Å; V485-L489 WeakPolarHBondContact O-CG 3.46Å; V485-L489 PolarHBondContact O-N 3.12Å; I487-L489 PolarHBondContact O-N 3.43Å; L489-V492 PolarHBondContact O-N 3.22Å; L489-C493 WeakPolarHBondContact O-CB 3.43Å; L489-C493 PolarHBondContact O-N 3.16Å; L489-C493 PolarHBondContact O-SG 2.75Å; L489-L518 HydrophobicContact CD2-CD1 4.44Å; L489-L522 HydrophobicContact CD2-CD2 3.93Å; L489-A525 HydrophobicContact CD1-CB 3.66Å; L489-L533 HydrophobicContact CD1-CD2 3.67Å; L489-C536 HydrophobicContact CB-CB 4.16Å; L489-C536 HydrophobicContact CD1-CB 4.31Å; L489-L540 HydrophobicContact CD2-CD1 4Å |
| 490 | T | 97 | Very high | 95.1 | Very high | 14 Ų | 14 | 20.3 Ų | 20.3 | 9% | 0.086 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -68.4 | -41.7 | 177 | -56.7 | 0 | 0 | 0 | 0 | 110.9 | Y426 L429 L430 N486 I487 L488 C493 F494 | Y426-T490 WeakPolarHBondContact CE2-OG1 3.38Å; L429-T490 HydrophobicContact CB-CG2 3.9Å; L430-T490 HydrophobicContact CD2-CG2 4.08Å; N486-T490 WeakPolarHBondContact O-CB 3.36Å; N486-T490 PolarHBondContact O-N 3.37Å; N486-T490 PolarHBondContact O-OG1 3.14Å; I487-T490 PolarHBondContact O-N 3.2Å; L488-T490 VanDerWaalsContact C-N 3.33Å; L488-T490 PolarHBondContact O-N 3.47Å; T490-C493 PolarHBondContact O-N 3.29Å; T490-F494 VanDerWaalsContact O-CB 3.25Å; T490-F494 WeakPolarHBondContact O-CB 3.34Å; T490-F494 PolarHBondContact O-N 3.44Å |
| 491 | V | 98.2 | Very high | 95.1 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.006 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.8 | -47.8 | 173.6 | 175.1 | 0 | 0 | 0 | 0 | 110.6 | L429 C454 L457 V458 I487 L488 C493 F494 L495 | L429-V491 HydrophobicContact CD1-CG2 3.57Å; L429-V491 HydrophobicContact CD2-CG2 3.84Å; L429-V491 HydrophobicContact CG-CG2 4.38Å; C454-V491 HydrophobicContact CB-CG1 3.75Å; L457-V491 HydrophobicContact CB-CG2 4.3Å; L457-V491 HydrophobicContact CD1-CG2 4.15Å; V458-V491 HydrophobicContact CG2-CB 3.97Å; V458-V491 HydrophobicContact CG2-CG1 3.62Å; I487-V491 HydrophobicContact CG2-CG2 4.44Å; I487-V491 WeakPolarHBondContact O-CG2 3.17Å; I487-V491 PolarHBondContact O-N 3.38Å; L488-V491 PolarHBondContact O-N 2.83Å; V491-C493 VanDerWaalsContact C-N 3.35Å; V491-C493 PolarHBondContact O-N 3.15Å; V491-F494 WeakPolarHBondContact O-CB 3.26Å; V491-F494 PolarHBondContact O-N 3.39Å; V491-L495 HydrophobicContact CG1-CD1 4.16Å; V491-L495 HydrophobicContact CG1-CG 4.4Å; V491-L495 VanDerWaalsContact O-CG 3.29Å; V491-L495 WeakPolarHBondContact O-CG 3.32Å; V491-L495 PolarHBondContact O-N 3.24Å |
| 492 | V | 97.9 | Very high | 95.2 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.006 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.4 | -41.5 | -179.6 | -177.3 | 0 | 0 | 0 | 0 | 110.9 | V458 L488 L489 L495 T496 F509 L540 | V458-V492 HydrophobicContact CG2-CG2 4.45Å; L488-V492 WeakPolarHBondContact O-CG2 3.31Å; L488-V492 PolarHBondContact O-N 2.71Å; L488-V492 VanDerWaalsContact O-N 3.08Å; L489-V492 PolarHBondContact O-N 3.22Å; V492-L495 PolarHBondContact O-N 3.48Å; V492-T496 PolarHBondContact O-N 3.39Å; V492-T496 PolarHBondContact O-OG1 2.9Å; V492-F509 HydrophobicContact CG1-CD2 4.04Å; V492-F509 HydrophobicContact CG1-CE2 4.02Å; V492-L540 HydrophobicContact CB-CD1 4.12Å; V492-L540 HydrophobicContact CB-CD2 4.39Å; V492-L540 HydrophobicContact CG1-CD1 3.83Å; V492-L540 HydrophobicContact CG1-CD2 3.61Å; V492-L540 HydrophobicContact CG1-CG 4.37Å |
| 493 | C | 96.8 | Very high | 95.3 | Very high | 10 Ų | 10 | 32.3 Ų | 32.3 | 7% | 0.068 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.2 | -40.2 | 175.1 | -70.8 | 0 | 0 | 0 | 0 | 112.5 | L489 T490 V491 T496 D497 | L489-C493 WeakPolarHBondContact O-CB 3.43Å; L489-C493 PolarHBondContact O-N 3.16Å; L489-C493 PolarHBondContact O-SG 2.75Å; T490-C493 PolarHBondContact O-N 3.29Å; V491-C493 VanDerWaalsContact C-N 3.35Å; V491-C493 PolarHBondContact O-N 3.15Å; C493-T496 WeakPolarHBondContact O-CB 3.39Å; C493-T496 PolarHBondContact O-N 2.91Å; C493-D497 VanDerWaalsContact O-CG 3.29Å; C493-D497 PolarHBondContact O-N 2.98Å |
| 494 | F | 96.2 | Very high | 95.3 | Very high | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.009 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.5 | -49.2 | 173.8 | 174.1 | -95 | 0 | 0 | 0 | 110.3 | L446 V449 T490 V491 T496 D497 Q498 | L446-F494 HydrophobicContact CD2-CE1 4.35Å; L446-F494 HydrophobicContact CD2-CZ 4.03Å; V449-F494 HydrophobicContact CB-CE1 4.39Å; V449-F494 HydrophobicContact CB-CZ 4.31Å; V449-F494 HydrophobicContact CG1-CE1 3.9Å; V449-F494 HydrophobicContact CG1-CZ 4.18Å; T490-F494 VanDerWaalsContact O-CB 3.25Å; T490-F494 WeakPolarHBondContact O-CB 3.34Å; T490-F494 PolarHBondContact O-N 3.44Å; V491-F494 WeakPolarHBondContact O-CB 3.26Å; V491-F494 PolarHBondContact O-N 3.39Å; F494-T496 VanDerWaalsContact C-N 3.28Å; F494-T496 PolarHBondContact O-N 2.86Å; F494-D497 PolarHBondContact O-N 3.33Å; F494-D497 VanDerWaalsContact O-N 3.08Å; F494-Q498 HydrophobicContact CD1-CG 4.35Å; F494-Q498 HydrophobicContact CD2-CG 4.25Å; F494-Q498 HydrophobicContact CE1-CG 4.08Å; F494-Q498 HydrophobicContact CE2-CG 3.98Å; F494-Q498 HydrophobicContact CG-CG 4.44Å; F494-Q498 HydrophobicContact CZ-CG 3.89Å; F494-Q498 VanDerWaalsContact O-CG 3.29Å; F494-Q498 WeakPolarHBondContact O-CG 3.26Å; F494-Q498 PolarHBondContact O-N 2.86Å |
| 495 | L | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.9 | -38.2 | 177.3 | -65.1 | 171.2 | 0 | 0 | 0 | 112.4 | C454 V491 V492 Q498 A499 H505 L508 F509 L512 | C454-L495 HydrophobicContact CB-CD1 4.4Å; C454-L495 HydrophobicContact CB-CD2 4.17Å; V491-L495 HydrophobicContact CG1-CD1 4.16Å; V491-L495 HydrophobicContact CG1-CG 4.4Å; V491-L495 VanDerWaalsContact O-CG 3.29Å; V491-L495 WeakPolarHBondContact O-CG 3.32Å; V491-L495 PolarHBondContact O-N 3.24Å; V492-L495 PolarHBondContact O-N 3.48Å; L495-Q498 PolarHBondContact O-N 3.42Å; L495-A499 WeakPolarHBondContact O-CB 3.46Å; L495-A499 PolarHBondContact O-N 3.28Å; L495-H505 HydrophobicContact CD2-CB 3.94Å; L495-L508 HydrophobicContact CD1-CD2 3.84Å; L495-L508 HydrophobicContact CD1-CG 3.93Å; L495-L508 HydrophobicContact CD2-CD2 4.1Å; L495-F509 HydrophobicContact CB-CB 3.89Å; L495-L512 HydrophobicContact CD1-CD1 3.7Å |
| 496 | T | 94.9 | Very high | 95.5 | Very high | 24 Ų | 24 | 35 Ų | 35 | 15% | 0.147 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.8 | -46.3 | 173.4 | -46.8 | 0 | 0 | 0 | 0 | 111.5 | V492 C493 F494 Q498 A499 F509 T543 | V492-T496 PolarHBondContact O-N 3.39Å; V492-T496 PolarHBondContact O-OG1 2.9Å; C493-T496 WeakPolarHBondContact O-CB 3.39Å; C493-T496 PolarHBondContact O-N 2.91Å; F494-T496 VanDerWaalsContact C-N 3.28Å; F494-T496 PolarHBondContact O-N 2.86Å; T496-Q498 PolarHBondContact O-N 2.82Å; T496-A499 WeakPolarHBondContact O-CB 3.27Å; T496-A499 PolarHBondContact O-N 3.28Å; T496-F509 HydrophobicContact CG2-CE1 4.27Å; T496-F509 HydrophobicContact CG2-CE2 4.21Å; T496-F509 HydrophobicContact CG2-CZ 3.94Å; T496-F509 VanDerWaalsContact OG1-CD2 3.25Å; T496-F509 WeakPolarHBondContact OG1-CD2 3.49Å; T496-F509 WeakPolarHBondContact OG1-CE2 3.28Å; T496-F509 WeakPolarHBondContact OG1-CZ 3.49Å; T496-T543 HydrophobicContact CG2-CG2 4.23Å |
| 497 | D | 93.2 | Very high | 95.5 | Very high | 71 Ų | 71 | 39.9 Ų | 39.9 | 38% | 0.38 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -67.8 | -25.9 | -177.9 | -69.2 | -24.6 | 0 | 0 | 0 | 112.7 | C493 F494 K539 | C493-D497 VanDerWaalsContact O-CG 3.29Å; C493-D497 PolarHBondContact O-N 2.98Å; F494-D497 PolarHBondContact O-N 3.33Å; F494-D497 VanDerWaalsContact O-N 3.08Å; D497-K539 VanDerWaalsContact OD1-CE 3.27Å; D497-K539 WeakPolarHBondContact OD1-CE 3.3Å; D497-K539 IonicContact OD1-NZ 3.79Å; D497-K539 PolarHBondContact OD1-NZ 3.32Å; D497-K539 IonicContact OD2-NZ 3.83Å; D497-K539 PolarHBondContact OD2-NZ 2.8Å |
| 498 | Q | 94 | Very high | 95.5 | Very high | 13 Ų | 13 | 41.1 Ų | 41.1 | 6% | 0.061 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -98.6 | -0.4 | 178.9 | -53.5 | -49.8 | -52.6 | 0 | 0 | 113.5 | L446 F494 L495 T496 D500 L501 S502 | L446-Q498 HydrophobicContact CD2-CB 3.92Å; L446-Q498 HydrophobicContact CD2-CG 3.78Å; F494-Q498 HydrophobicContact CD1-CG 4.35Å; F494-Q498 HydrophobicContact CD2-CG 4.25Å; F494-Q498 HydrophobicContact CE1-CG 4.08Å; F494-Q498 HydrophobicContact CE2-CG 3.98Å; F494-Q498 HydrophobicContact CG-CG 4.44Å; F494-Q498 HydrophobicContact CZ-CG 3.89Å; F494-Q498 VanDerWaalsContact O-CG 3.29Å; F494-Q498 WeakPolarHBondContact O-CG 3.26Å; F494-Q498 PolarHBondContact O-N 2.86Å; L495-Q498 PolarHBondContact O-N 3.42Å; T496-Q498 PolarHBondContact O-N 2.82Å; Q498-D500 PolarHBondContact O-N 2.71Å; Q498-L501 PolarHBondContact O-N 3.24Å; Q498-L501 VanDerWaalsContact O-N 3.1Å; Q498-S502 PolarHBondContact O-N 3.12Å |
| 499 | A | 91.9 | Very high | 95.5 | Very high | 27 Ų | 27 | 41.3 Ų | 41.3 | 22% | 0.223 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -40 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L495 T496 L501 | L495-A499 WeakPolarHBondContact O-CB 3.46Å; L495-A499 PolarHBondContact O-N 3.28Å; T496-A499 WeakPolarHBondContact O-CB 3.27Å; T496-A499 PolarHBondContact O-N 3.28Å; A499-L501 VanDerWaalsContact C-N 3.28Å; A499-L501 PolarHBondContact O-N 3.38Å |
| 500 | D | 89.5 | Confident | 95.3 | Very high | 165 Ų | 165 | 44 Ų | 44 | 88% | 0.882 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -22.6 | 179 | -67.2 | -33.7 | 0 | 0 | 0 | 112.6 | Q498 | Q498-D500 PolarHBondContact O-N 2.71Š|
| 501 | L | 91.3 | Very high | 95.3 | Very high | 103 Ų | 103 | 48.3 Ų | 48.3 | 54% | 0.539 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -30.7 | -174.2 | -59.5 | 173.2 | 0 | 0 | 0 | 112 | Q498 A499 | Q498-L501 PolarHBondContact O-N 3.24Å; Q498-L501 VanDerWaalsContact O-N 3.1Å; A499-L501 VanDerWaalsContact C-N 3.28Å; A499-L501 PolarHBondContact O-N 3.38Å |
| 502 | S | 94.2 | Very high | 95.2 | Very high | 21 Ų | 21 | 48.8 Ų | 48.8 | 15% | 0.147 | 26% | 0.26 | C | S | . | . | trans | -135.7 | 113.7 | 179.8 | -178.6 | 0 | 0 | 0 | 0 | 112.2 | Q498 S504 H505 G506 | Q498-S502 PolarHBondContact O-N 3.12Å; S502-S504 VanDerWaalsContact C-N 3.31Å; S502-S504 PolarHBondContact O-N 3.09Å; S502-S504 PolarHBondContact OG-OG 3.34Å; S502-H505 VanDerWaalsContact CB-ND1 3.32Å; S502-H505 WeakPolarHBondContact CB-ND1 3.09Å; S502-H505 PolarHBondContact O-N 3.24Å; S502-H505 PolarHBondContact OG-ND1 3.28Å; S502-G506 PolarHBondContact O-N 3.24Å | ||
| 503 | K | 94.6 | Very high | 95.1 | Very high | 189 Ų | 189 | 48.8 Ų | 48.8 | 82% | 0.822 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -56.6 | -40.7 | -179.8 | -66.5 | -177.5 | -178.9 | 177.7 | 0 | 113.2 | G506 M507 | K503-G506 PolarHBondContact O-N 3.49Å; K503-M507 VanDerWaalsContact O-CG 3.26Å; K503-M507 WeakPolarHBondContact O-CG 3.19Å; K503-M507 PolarHBondContact O-N 3.49Å |
| 504 | S | 95.2 | Very high | 94.9 | Very high | 59 Ų | 59 | 53 Ų | 53 | 41% | 0.413 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.3 | -49.1 | 178.6 | 51 | 0 | 0 | 0 | 0 | 112 | S502 M507 L508 | S502-S504 VanDerWaalsContact C-N 3.31Å; S502-S504 PolarHBondContact O-N 3.09Å; S502-S504 PolarHBondContact OG-OG 3.34Å; S504-M507 PolarHBondContact O-N 3.49Å; S504-L508 PolarHBondContact O-N 2.83Å; S504-L508 VanDerWaalsContact O-N 3.07Å |
| 505 | H | 97.5 | Very high | 94.8 | Very high | 4 Ų | 4 | 54.6 Ų | 54.6 | 2% | 0.019 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.9 | -41.4 | 176.4 | -65.7 | 98 | 0 | 0 | 0 | 112.1 | L446 V449 L495 S502 L508 F509 | L446-H505 PolarHBondContact O-CE1 2.93Å; V449-H505 PolarHBondContact O-NE2 2.92Å; V449-H505 VanDerWaalsContact O-NE2 3.09Å; L495-H505 HydrophobicContact CD2-CB 3.94Å; S502-H505 VanDerWaalsContact CB-ND1 3.32Å; S502-H505 WeakPolarHBondContact CB-ND1 3.09Å; S502-H505 PolarHBondContact O-N 3.24Å; S502-H505 PolarHBondContact OG-ND1 3.28Å; H505-L508 PolarHBondContact O-N 2.97Å; H505-F509 PolarHBondContact O-N 2.99Å |
| 506 | G | 95.9 | Very high | 94.5 | Very high | 11 Ų | 11 | 58.5 Ų | 58.5 | 11% | 0.113 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.7 | -43 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | S502 K503 F509 E510 | S502-G506 PolarHBondContact O-N 3.24Å; K503-G506 PolarHBondContact O-N 3.49Å; G506-F509 WeakPolarHBondContact O-CB 3.38Å; G506-F509 PolarHBondContact O-N 2.9Å; G506-E510 VanDerWaalsContact O-CG 3.32Å; G506-E510 WeakPolarHBondContact O-CG 3.35Å; G506-E510 PolarHBondContact O-N 3.46Å |
| 507 | M | 96.6 | Very high | 94.4 | Very high | 121 Ų | 121 | 62 Ų | 62 | 60% | 0.596 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -63.2 | -43.4 | 175.8 | -69.4 | -63.8 | -60.4 | 0 | 0 | 111.8 | K503 S504 F509 E510 D511 | K503-M507 VanDerWaalsContact O-CG 3.26Å; K503-M507 WeakPolarHBondContact O-CG 3.19Å; K503-M507 PolarHBondContact O-N 3.49Å; S504-M507 PolarHBondContact O-N 3.49Å; M507-F509 PolarHBondContact O-N 3.34Å; M507-E510 WeakPolarHBondContact O-CB 3.36Å; M507-E510 PolarHBondContact O-N 2.88Å; M507-D511 PolarHBondContact O-N 3.23Å; M507-D511 VanDerWaalsContact O-N 3.13Å |
| 508 | L | 97.8 | Very high | 94.4 | Very high | 27 Ų | 27 | 58.9 Ų | 58.9 | 14% | 0.141 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.4 | -41.2 | 176 | 179.9 | 62.7 | 0 | 0 | 0 | 111.8 | T451 C454 A455 L495 S504 H505 E510 D511 L512 | T451-L508 HydrophobicContact CG2-CB 4.38Å; T451-L508 HydrophobicContact CG2-CD2 4.25Å; T451-L508 WeakPolarHBondContact O-CD2 3.41Å; C454-L508 HydrophobicContact CB-CD2 3.82Å; A455-L508 HydrophobicContact CB-CD1 4.15Å; A455-L508 HydrophobicContact CB-CD2 4.26Å; L495-L508 HydrophobicContact CD1-CD2 3.84Å; L495-L508 HydrophobicContact CD1-CG 3.93Å; L495-L508 HydrophobicContact CD2-CD2 4.1Å; S504-L508 PolarHBondContact O-N 2.83Å; S504-L508 VanDerWaalsContact O-N 3.07Å; H505-L508 PolarHBondContact O-N 2.97Å; L508-E510 PolarHBondContact O-N 3Å; L508-D511 PolarHBondContact O-N 3.44Å; L508-L512 HydrophobicContact CD1-CD1 4.09Å; L508-L512 HydrophobicContact CD1-CG 4.06Å; L508-L512 HydrophobicContact CG-CD1 3.95Å; L508-L512 HydrophobicContact CG-CG 4.31Å; L508-L512 WeakPolarHBondContact O-CB 3.29Å; L508-L512 VanDerWaalsContact O-CG 3.31Å; L508-L512 WeakPolarHBondContact O-CG 3.28Å; L508-L512 PolarHBondContact O-N 3.43Å |
| 509 | F | 97.3 | Very high | 94.4 | Very high | 4 Ų | 4 | 58.2 Ų | 58.2 | 2% | 0.018 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -56.9 | -49.1 | 173.8 | 169.8 | -110.9 | 0 | 0 | 0 | 111.7 | V492 L495 T496 H505 G506 M507 D511 L512 I513 L540 T543 | V492-F509 HydrophobicContact CG1-CD2 4.04Å; V492-F509 HydrophobicContact CG1-CE2 4.02Å; L495-F509 HydrophobicContact CB-CB 3.89Å; T496-F509 HydrophobicContact CG2-CE1 4.27Å; T496-F509 HydrophobicContact CG2-CE2 4.21Å; T496-F509 HydrophobicContact CG2-CZ 3.94Å; T496-F509 VanDerWaalsContact OG1-CD2 3.25Å; T496-F509 WeakPolarHBondContact OG1-CD2 3.49Å; T496-F509 WeakPolarHBondContact OG1-CE2 3.28Å; T496-F509 WeakPolarHBondContact OG1-CZ 3.49Å; H505-F509 PolarHBondContact O-N 2.99Å; G506-F509 WeakPolarHBondContact O-CB 3.38Å; G506-F509 PolarHBondContact O-N 2.9Å; M507-F509 PolarHBondContact O-N 3.34Å; F509-D511 PolarHBondContact O-N 2.88Å; F509-L512 PolarHBondContact O-N 3.36Å; F509-I513 HydrophobicContact CE1-CG2 4.42Å; F509-I513 HydrophobicContact CE2-CB 3.97Å; F509-I513 HydrophobicContact CE2-CD1 4.35Å; F509-I513 HydrophobicContact CE2-CG1 4.19Å; F509-I513 HydrophobicContact CE2-CG2 4.49Å; F509-I513 HydrophobicContact CZ-CB 4.1Å; F509-I513 HydrophobicContact CZ-CG1 4.12Å; F509-I513 HydrophobicContact CZ-CG2 4.24Å; F509-I513 WeakPolarHBondContact O-CB 3.36Å; F509-I513 WeakPolarHBondContact O-CG2 3.29Å; F509-I513 PolarHBondContact O-N 2.85Å; F509-L540 HydrophobicContact CE2-CD2 4.11Å; F509-T543 HydrophobicContact CE1-CG2 3.83Å; F509-T543 HydrophobicContact CZ-CG2 3.71Å |
| 510 | E | 94.8 | Very high | 94.4 | Very high | 57 Ų | 57 | 57.6 Ų | 57.6 | 27% | 0.266 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58.8 | -34.2 | 179.4 | -76.4 | -67.7 | 154.6 | 0 | 0 | 113.2 | G506 M507 L508 K514 S545 | G506-E510 VanDerWaalsContact O-CG 3.32Å; G506-E510 WeakPolarHBondContact O-CG 3.35Å; G506-E510 PolarHBondContact O-N 3.46Å; M507-E510 WeakPolarHBondContact O-CB 3.36Å; M507-E510 PolarHBondContact O-N 2.88Å; L508-E510 PolarHBondContact O-N 3Å; E510-K514 WeakPolarHBondContact O-CD 3.14Å; E510-K514 WeakPolarHBondContact O-CE 3.21Å; E510-K514 VanDerWaalsContact O-CG 3.29Å; E510-K514 WeakPolarHBondContact O-CG 3.33Å; E510-K514 PolarHBondContact O-NZ 3.41Å; E510-K514 VanDerWaalsContact O-NZ 3.16Å; E510-K514 WeakPolarHBondContact OE2-CE 3.29Å; E510-K514 IonicContact OE2-NZ 2.67Å; E510-K514 PolarHBondContact OE2-NZ 3.39Å; E510-S545 WeakPolarHBondContact OE1-CB 3.36Å; E510-S545 PolarHBondContact OE1-OG 2.79Å; E510-S545 WeakPolarHBondContact OE2-CB 3.46Å |
| 511 | D | 95.7 | Very high | 94.6 | Very high | 105 Ų | 105 | 49.8 Ų | 49.8 | 56% | 0.561 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -75.8 | -45.2 | 176.6 | -70.8 | -21 | 0 | 0 | 0 | 111.4 | M507 L508 F509 K514 D515 | M507-D511 PolarHBondContact O-N 3.23Å; M507-D511 VanDerWaalsContact O-N 3.13Å; L508-D511 PolarHBondContact O-N 3.44Å; F509-D511 PolarHBondContact O-N 2.88Å; D511-K514 PolarHBondContact O-N 3.39Å; D511-D515 PolarHBondContact O-N 2.9Å |
| 512 | L | 96.1 | Very high | 94.8 | Very high | 11 Ų | 11 | 44.9 Ų | 44.9 | 6% | 0.058 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -69 | -40.3 | -177.8 | -69.7 | 178.9 | 0 | 0 | 0 | 113 | V458 L495 L508 F509 K514 D515 | V458-L512 HydrophobicContact CB-CD1 4.35Å; V458-L512 HydrophobicContact CG1-CD1 4.17Å; V458-L512 HydrophobicContact CG1-CD2 3.81Å; V458-L512 HydrophobicContact CG2-CD1 4.06Å; L495-L512 HydrophobicContact CD1-CD1 3.7Å; L508-L512 HydrophobicContact CD1-CD1 4.09Å; L508-L512 HydrophobicContact CD1-CG 4.06Å; L508-L512 HydrophobicContact CG-CD1 3.95Å; L508-L512 HydrophobicContact CG-CG 4.31Å; L508-L512 WeakPolarHBondContact O-CB 3.29Å; L508-L512 VanDerWaalsContact O-CG 3.31Å; L508-L512 WeakPolarHBondContact O-CG 3.28Å; L508-L512 PolarHBondContact O-N 3.43Å; F509-L512 PolarHBondContact O-N 3.36Å; L512-K514 PolarHBondContact O-N 3.12Å; L512-D515 WeakPolarHBondContact O-CB 3.37Å; L512-D515 PolarHBondContact O-N 3.08Å |
| 513 | I | 95.3 | Very high | 94.6 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -20.6 | -179.8 | -162.8 | 60.2 | 0 | 0 | 0 | 112.3 | F509 L518 L540 C546 F551 | F509-I513 HydrophobicContact CE1-CG2 4.42Å; F509-I513 HydrophobicContact CE2-CB 3.97Å; F509-I513 HydrophobicContact CE2-CD1 4.35Å; F509-I513 HydrophobicContact CE2-CG1 4.19Å; F509-I513 HydrophobicContact CE2-CG2 4.49Å; F509-I513 HydrophobicContact CZ-CB 4.1Å; F509-I513 HydrophobicContact CZ-CG1 4.12Å; F509-I513 HydrophobicContact CZ-CG2 4.24Å; F509-I513 WeakPolarHBondContact O-CB 3.36Å; F509-I513 WeakPolarHBondContact O-CG2 3.29Å; F509-I513 PolarHBondContact O-N 2.85Å; I513-L518 HydrophobicContact CD1-CD2 4.02Å; I513-L540 HydrophobicContact CD1-CB 4.13Å; I513-C546 HydrophobicContact CD1-CB 4.34Å; I513-C546 HydrophobicContact CG1-CB 3.85Å; I513-F551 VanDerWaalsContact O-CE2 3.31Å; I513-F551 WeakPolarHBondContact O-CE2 3.4Å |
| 514 | K | 93.7 | Very high | 94.5 | Very high | 99 Ų | 99 | 35.5 Ų | 35.5 | 43% | 0.43 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -8.4 | 174.4 | -66.3 | 172.1 | -166.3 | 132.7 | 0 | 112.8 | E510 D511 L512 N516 P547 | E510-K514 WeakPolarHBondContact O-CD 3.14Å; E510-K514 WeakPolarHBondContact O-CE 3.21Å; E510-K514 VanDerWaalsContact O-CG 3.29Å; E510-K514 WeakPolarHBondContact O-CG 3.33Å; E510-K514 PolarHBondContact O-NZ 3.41Å; E510-K514 VanDerWaalsContact O-NZ 3.16Å; E510-K514 WeakPolarHBondContact OE2-CE 3.29Å; E510-K514 IonicContact OE2-NZ 2.67Å; E510-K514 PolarHBondContact OE2-NZ 3.39Å; D511-K514 PolarHBondContact O-N 3.39Å; L512-K514 PolarHBondContact O-N 3.12Å; K514-N516 PolarHBondContact O-N 2.87Å; K514-P547 HydrophobicContact CG-CG 4.45Å |
| 515 | D | 92.7 | Very high | 94.3 | Very high | 35 Ų | 35 | 32.7 Ų | 32.7 | 19% | 0.187 | 16% | 0.161 | C | C | . | . | trans | -74.5 | 116.3 | 179.1 | -167.3 | -23.2 | 0 | 0 | 0 | 111.2 | D511 L512 R517 L518 | D511-D515 PolarHBondContact O-N 2.9Å; L512-D515 WeakPolarHBondContact O-CB 3.37Å; L512-D515 PolarHBondContact O-N 3.08Å; D515-R517 PolarHBondContact O-N 3.04Å; D515-R517 VanDerWaalsContact O-N 3.08Å; D515-R517 VanDerWaalsContact OD1-CB 3.27Å; D515-R517 WeakPolarHBondContact OD1-CB 3.26Å; D515-R517 VanDerWaalsContact OD1-CG 3.31Å; D515-R517 WeakPolarHBondContact OD1-CG 3.45Å; D515-R517 PolarHBondContact OD1-N 3.29Å; D515-R517 IonicContact OD1-NE 2.66Å; D515-R517 PolarHBondContact OD1-NE 3.08Å; D515-R517 IonicContact OD2-CZ 3.5Å; D515-R517 IonicContact OD2-NE 3.35Å; D515-R517 PolarHBondContact OD2-NE 3.1Å; D515-R517 IonicContact OD2-NH2 2.64Å; D515-R517 PolarHBondContact OD2-NH2 3.11Å; D515-L518 VanDerWaalsContact O-CB 3.26Å; D515-L518 WeakPolarHBondContact O-CB 3.39Å; D515-L518 PolarHBondContact O-N 3.23Å | ||
| 516 | N | 91.8 | Very high | 94 | Very high | 81 Ų | 81 | 34.9 Ų | 34.9 | 43% | 0.433 | 17% | 0.172 | S | C | . | . | G | 310 helix | trans | -59.5 | -18.9 | 177.3 | -82 | -55.3 | 0 | 0 | 0 | 114.4 | K514 L518 L519 F551 | K514-N516 PolarHBondContact O-N 2.87Å; N516-L518 PolarHBondContact O-N 3Å; N516-L519 PolarHBondContact O-N 3.18Å; N516-F551 WeakPolarHBondContact OD1-CE1 3.5Å |
| 517 | R | 93 | Very high | 93.7 | Very high | 98 Ų | 98 | 35.7 Ų | 35.7 | 37% | 0.37 | 18% | 0.175 | S | C | . | . | G | 310 helix | trans | -71.6 | -16 | 175.6 | -62.1 | -179.9 | -67.4 | 164.8 | 0.3 | 112.7 | L462 D515 L519 P520 | L462-R517 HydrophobicContact CD1-CB 4.38Å; L462-R517 HydrophobicContact CD2-CB 3.94Å; D515-R517 PolarHBondContact O-N 3.04Å; D515-R517 VanDerWaalsContact O-N 3.08Å; D515-R517 VanDerWaalsContact OD1-CB 3.27Å; D515-R517 WeakPolarHBondContact OD1-CB 3.26Å; D515-R517 VanDerWaalsContact OD1-CG 3.31Å; D515-R517 WeakPolarHBondContact OD1-CG 3.45Å; D515-R517 PolarHBondContact OD1-N 3.29Å; D515-R517 IonicContact OD1-NE 2.66Å; D515-R517 PolarHBondContact OD1-NE 3.08Å; D515-R517 IonicContact OD2-CZ 3.5Å; D515-R517 IonicContact OD2-NE 3.35Å; D515-R517 PolarHBondContact OD2-NE 3.1Å; D515-R517 IonicContact OD2-NH2 2.64Å; D515-R517 PolarHBondContact OD2-NH2 3.11Å; R517-L519 VanDerWaalsContact C-N 3.33Å; R517-P520 VanDerWaalsContact O-CD 3.3Å; R517-P520 WeakPolarHBondContact O-CD 3.43Å |
| 518 | L | 94.4 | Very high | 93.2 | Very high | 5 Ų | 5 | 30.4 Ų | 30.4 | 3% | 0.026 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -73.3 | -25.3 | 175 | -177.5 | 58.1 | 0 | 0 | 0 | 112.7 | L488 L489 I513 D515 N516 F521 L522 | L488-L518 HydrophobicContact CD2-CD1 3.41Å; L488-L518 VanDerWaalsContact CD2-CD1 3.41Å; L488-L518 HydrophobicContact CG-CD1 4.49Å; L489-L518 HydrophobicContact CD2-CD1 4.44Å; I513-L518 HydrophobicContact CD1-CD2 4.02Å; D515-L518 VanDerWaalsContact O-CB 3.26Å; D515-L518 WeakPolarHBondContact O-CB 3.39Å; D515-L518 PolarHBondContact O-N 3.23Å; N516-L518 PolarHBondContact O-N 3Å; L518-F521 WeakPolarHBondContact O-CB 3.43Å; L518-F521 PolarHBondContact O-N 3.13Å; L518-F521 VanDerWaalsContact O-N 3.12Å; L518-L522 HydrophobicContact CD2-CD1 4.15Å; L518-L522 HydrophobicContact CG-CD1 3.92Å; L518-L522 HydrophobicContact CG-CG 4.04Å; L518-L522 PolarHBondContact O-N 2.73Å; L518-L522 VanDerWaalsContact O-N 3.14Å |
| 519 | L | 92.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.5 | -41.3 | -172 | -66 | 174.6 | 0 | 0 | 0 | 115.4 | N516 R517 F521 L522 A523 F551 K554 L555 L558 | N516-L519 PolarHBondContact O-N 3.18Å; R517-L519 VanDerWaalsContact C-N 3.33Å; L519-F521 VanDerWaalsContact C-N 3.27Å; L519-F521 PolarHBondContact O-N 3.38Å; L519-L522 HydrophobicContact CD2-CD1 4.49Å; L519-L522 PolarHBondContact O-N 3.2Å; L519-A523 WeakPolarHBondContact O-CB 3.49Å; L519-A523 PolarHBondContact O-N 3.22Å; L519-F551 HydrophobicContact CD1-CD1 4.03Å; L519-F551 HydrophobicContact CD1-CE1 4.34Å; L519-F551 HydrophobicContact CD1-CG 4.2Å; L519-F551 HydrophobicContact CD2-CB 3.87Å; L519-F551 HydrophobicContact CD2-CD1 4.33Å; L519-F551 HydrophobicContact CD2-CD2 3.57Å; L519-F551 HydrophobicContact CD2-CE2 4.05Å; L519-F551 HydrophobicContact CD2-CG 3.69Å; L519-F551 HydrophobicContact CG-CD2 4.45Å; L519-F551 HydrophobicContact CG-CG 4.44Å; L519-K554 HydrophobicContact CD1-CB 4.15Å; L519-K554 HydrophobicContact CD1-CD 3.62Å; L519-K554 HydrophobicContact CD1-CG 3.91Å; L519-L555 HydrophobicContact CD2-CD1 4.32Å; L519-L558 HydrophobicContact CB-CD1 3.71Å |
| 520 | P | 92.1 | Very high | 92.2 | Very high | 14 Ų | 14 | 38.1 Ų | 38.1 | 9% | 0.091 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59 | -37.4 | 175.1 | -24.7 | 36.1 | 0 | 0 | 0 | 112.9 | V467 R517 F524 L558 | V467-P520 HydrophobicContact CG1-CB 4.43Å; V467-P520 VanDerWaalsContact O-CB 3.28Å; V467-P520 WeakPolarHBondContact O-CB 3.4Å; R517-P520 VanDerWaalsContact O-CD 3.3Å; R517-P520 WeakPolarHBondContact O-CD 3.43Å; P520-F524 WeakPolarHBondContact O-CB 3.42Å; P520-F524 PolarHBondContact O-N 3.15Å; P520-L558 HydrophobicContact CG-CD1 4.25Å |
| 521 | F | 94.3 | Very high | 92 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69.4 | -42.5 | 177.8 | -61.9 | -92.2 | 0 | 0 | 0 | 111.8 | Q461 L462 N465 V467 A468 V485 L488 L518 L519 F524 A525 | Q461-F521 WeakPolarHBondContact O-CZ 3.44Å; L462-F521 HydrophobicContact CD2-CD2 4.1Å; L462-F521 HydrophobicContact CD2-CE2 3.66Å; L462-F521 HydrophobicContact CD2-CZ 4.43Å; N465-F521 HydrophobicContact CB-CE1 3.91Å; N465-F521 HydrophobicContact CB-CZ 3.97Å; V467-F521 HydrophobicContact CB-CD1 4.28Å; V467-F521 HydrophobicContact CB-CE1 4.04Å; V467-F521 HydrophobicContact CB-CZ 4.5Å; V467-F521 HydrophobicContact CG1-CD1 3.95Å; V467-F521 HydrophobicContact CG1-CE1 4.18Å; V467-F521 HydrophobicContact CG1-CG 4.24Å; A468-F521 HydrophobicContact CB-CE2 3.85Å; A468-F521 HydrophobicContact CB-CZ 3.86Å; V485-F521 HydrophobicContact CB-CD1 4.44Å; V485-F521 HydrophobicContact CG1-CD1 4.27Å; V485-F521 HydrophobicContact CG2-CD1 3.95Å; V485-F521 HydrophobicContact CG2-CE1 4.35Å; L488-F521 HydrophobicContact CD1-CD1 3.98Å; L488-F521 HydrophobicContact CD1-CD2 4.05Å; L488-F521 HydrophobicContact CD1-CE1 3.98Å; L488-F521 HydrophobicContact CD1-CE2 4.06Å; L488-F521 HydrophobicContact CD1-CG 4.02Å; L488-F521 HydrophobicContact CD1-CZ 4.02Å; L488-F521 HydrophobicContact CD2-CB 4.24Å; L488-F521 HydrophobicContact CD2-CG 4.3Å; L518-F521 WeakPolarHBondContact O-CB 3.43Å; L518-F521 PolarHBondContact O-N 3.13Å; L518-F521 VanDerWaalsContact O-N 3.12Å; L519-F521 VanDerWaalsContact C-N 3.27Å; L519-F521 PolarHBondContact O-N 3.38Å; F521-F524 PolarHBondContact O-N 3.27Å; F521-A525 VanDerWaalsContact O-CB 3.26Å; F521-A525 WeakPolarHBondContact O-CB 3.3Å; F521-A525 PolarHBondContact O-N 2.92Å |
| 522 | L | 94 | Very high | 91.8 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.3 | -43.2 | 175 | -67.7 | 173.4 | 0 | 0 | 0 | 111.6 | L489 L518 L519 A525 L526 A537 L540 L541 L555 | L489-L522 HydrophobicContact CD2-CD2 3.93Å; L518-L522 HydrophobicContact CD2-CD1 4.15Å; L518-L522 HydrophobicContact CG-CD1 3.92Å; L518-L522 HydrophobicContact CG-CG 4.04Å; L518-L522 PolarHBondContact O-N 2.73Å; L518-L522 VanDerWaalsContact O-N 3.14Å; L519-L522 HydrophobicContact CD2-CD1 4.49Å; L519-L522 PolarHBondContact O-N 3.2Å; L522-A525 PolarHBondContact O-N 3.43Å; L522-L526 WeakPolarHBondContact O-CB 3.45Å; L522-L526 VanDerWaalsContact O-CG 3.27Å; L522-L526 WeakPolarHBondContact O-CG 3.47Å; L522-L526 PolarHBondContact O-N 3.43Å; L522-A537 HydrophobicContact CD2-CB 3.99Å; L522-L540 HydrophobicContact CD2-CB 4.5Å; L522-L540 HydrophobicContact CD2-CD1 4.15Å; L522-L541 HydrophobicContact CD1-CD2 4.13Å; L522-L555 HydrophobicContact CB-CD1 4.09Å |
| 523 | A | 91.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.4 | -45.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L519 V527 L555 L558 V559 | L519-A523 WeakPolarHBondContact O-CB 3.49Å; L519-A523 PolarHBondContact O-N 3.22Å; A523-V527 WeakPolarHBondContact O-CG2 3.36Å; A523-V527 PolarHBondContact O-N 3.39Å; A523-L555 HydrophobicContact CB-CD1 4.1Å; A523-L558 HydrophobicContact CB-CB 3.55Å; A523-V559 HydrophobicContact CB-CG2 3.9Å |
| 524 | F | 91 | Very high | 91.6 | Very high | 13 Ų | 13 | 43.3 Ų | 43.3 | 6% | 0.057 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.3 | -47.9 | 174.6 | 176.4 | -89.1 | 0 | 0 | 0 | 111.4 | V467 Y477 I482 V485 P520 F521 L526 V527 S528 L533 | V467-F524 HydrophobicContact CG1-CB 3.95Å; V467-F524 HydrophobicContact CG1-CG 4.28Å; V467-F524 HydrophobicContact CG2-CD2 4.34Å; Y477-F524 HydrophobicContact CD2-CE2 4.39Å; Y477-F524 HydrophobicContact CE2-CE2 4.09Å; I482-F524 HydrophobicContact CG1-CZ 4.33Å; I482-F524 HydrophobicContact CG2-CE1 4.48Å; V485-F524 HydrophobicContact CG1-CD1 4.07Å; V485-F524 HydrophobicContact CG1-CE1 4.46Å; V485-F524 HydrophobicContact CG2-CD1 4.15Å; V485-F524 HydrophobicContact CG2-CE1 4.18Å; P520-F524 WeakPolarHBondContact O-CB 3.42Å; P520-F524 PolarHBondContact O-N 3.15Å; F521-F524 PolarHBondContact O-N 3.27Å; F524-L526 PolarHBondContact O-N 2.75Å; F524-V527 CarbonylContact O-C 3.48Å; F524-V527 PolarHBondContact O-N 3.36Å; F524-S528 WeakPolarHBondContact O-CA 3.44Å; F524-S528 WeakPolarHBondContact O-CB 3.39Å; F524-S528 PolarHBondContact O-N 3.36Å; F524-L533 HydrophobicContact CE1-CD1 4.23Å |
| 525 | A | 92.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.6 | -45 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L489 F521 L522 V527 S528 L533 V534 A537 | L489-A525 HydrophobicContact CD1-CB 3.66Å; F521-A525 VanDerWaalsContact O-CB 3.26Å; F521-A525 WeakPolarHBondContact O-CB 3.3Å; F521-A525 PolarHBondContact O-N 2.92Å; L522-A525 PolarHBondContact O-N 3.43Å; A525-V527 VanDerWaalsContact C-N 3.27Å; A525-V527 PolarHBondContact O-N 3.48Å; A525-S528 WeakPolarHBondContact O-CB 3.36Å; A525-S528 PolarHBondContact O-N 3.38Å; A525-S528 PolarHBondContact O-OG 3.18Å; A525-L533 HydrophobicContact CB-CB 4Å; A525-L533 HydrophobicContact CB-CD2 4.47Å; A525-V534 VanDerWaalsContact O-CG2 3.29Å; A525-V534 WeakPolarHBondContact O-CG2 3.27Å; A525-A537 HydrophobicContact CB-CB 3.86Å |
| 526 | L | 91.7 | Very high | 91.7 | Very high | 49 Ų | 49 | 41.8 Ų | 41.8 | 26% | 0.257 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.4 | -34.5 | 177 | -73.1 | 173 | 0 | 0 | 0 | 113.1 | L522 F524 A537 L538 L541 L555 V559 | L522-L526 WeakPolarHBondContact O-CB 3.45Å; L522-L526 VanDerWaalsContact O-CG 3.27Å; L522-L526 WeakPolarHBondContact O-CG 3.47Å; L522-L526 PolarHBondContact O-N 3.43Å; F524-L526 PolarHBondContact O-N 2.75Å; L526-A537 HydrophobicContact CD2-CB 3.98Å; L526-A537 HydrophobicContact CG-CB 4.06Å; L526-L538 HydrophobicContact CD2-CD2 3.83Å; L526-L538 HydrophobicContact CD2-CG 4.13Å; L526-L541 HydrophobicContact CD1-CD1 3.91Å; L526-L541 HydrophobicContact CD2-CD1 4.37Å; L526-L555 HydrophobicContact CD1-CD1 4.48Å; L526-L555 HydrophobicContact CD1-CD2 4.23Å; L526-V559 HydrophobicContact CD1-CG2 4.3Å |
| 527 | V | 88.9 | Confident | 91.8 | Very high | 28 Ų | 28 | 37.9 Ų | 37.9 | 17% | 0.17 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -94.2 | -11.3 | -177.9 | -175.8 | 0 | 0 | 0 | 0 | 111.8 | A523 F524 A525 G529 V559 Q562 V563 R566 | A523-V527 WeakPolarHBondContact O-CG2 3.36Å; A523-V527 PolarHBondContact O-N 3.39Å; F524-V527 CarbonylContact O-C 3.48Å; F524-V527 PolarHBondContact O-N 3.36Å; A525-V527 VanDerWaalsContact C-N 3.27Å; A525-V527 PolarHBondContact O-N 3.48Å; V527-G529 PolarHBondContact O-N 3.47Å; V527-G529 VanDerWaalsContact O-N 3.12Å; V527-V559 HydrophobicContact CG2-CB 4.36Å; V527-V559 HydrophobicContact CG2-CG1 3.76Å; V527-V559 HydrophobicContact CG2-CG2 4.33Å; V527-Q562 HydrophobicContact CB-CB 4.49Å; V527-Q562 HydrophobicContact CG1-CB 4.49Å; V527-Q562 HydrophobicContact CG2-CB 4.4Å; V527-V563 HydrophobicContact CG1-CG2 3.66Å; V527-V563 HydrophobicContact CG2-CG2 3.94Å; V527-R566 PolarHBondContact O-NH1 3.48Å |
| 528 | S | 86.7 | Confident | 91.9 | Very high | 10 Ų | 10 | 37.2 Ų | 37.2 | 7% | 0.07 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -59.6 | -30 | -170 | 68.7 | 0 | 0 | 0 | 0 | 114.2 | F524 A525 R530 R566 | F524-S528 WeakPolarHBondContact O-CA 3.44Å; F524-S528 WeakPolarHBondContact O-CB 3.39Å; F524-S528 PolarHBondContact O-N 3.36Å; A525-S528 WeakPolarHBondContact O-CB 3.36Å; A525-S528 PolarHBondContact O-N 3.38Å; A525-S528 PolarHBondContact O-OG 3.18Å; S528-R530 PolarHBondContact OG-N 3.04Å; S528-R530 VanDerWaalsContact OG-N 3.16Å; S528-R566 PolarHBondContact O-NH1 3.43Å; S528-R566 PolarHBondContact O-NH2 2.92Å; S528-R566 VanDerWaalsContact O-NH2 3.08Å |
| 529 | G | 84.1 | Confident | 91.9 | Very high | 70 Ų | 70 | 40.6 Ų | 40.6 | 72% | 0.722 | 23% | 0.225 | S | C | * | . | trans | 79 | 1.7 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | V527 | V527-G529 PolarHBondContact O-N 3.47Å; V527-G529 VanDerWaalsContact O-N 3.12Å | ||
| 530 | R | 88.2 | Confident | 92 | Very high | 123 Ų | 123 | 40.6 Ų | 40.6 | 46% | 0.464 | 23% | 0.225 | S | C | . | . | trans | -93.9 | 118.4 | 178.6 | -62.3 | -174.2 | 179.8 | -173 | 0.2 | 110 | S528 V532 L533 V534 | S528-R530 PolarHBondContact OG-N 3.04Å; S528-R530 VanDerWaalsContact OG-N 3.16Å; R530-V532 VanDerWaalsContact C-N 3.28Å; R530-V532 PolarHBondContact O-N 2.9Å; R530-L533 HydrophobicContact CB-CB 4.26Å; R530-L533 HydrophobicContact CB-CD1 4.23Å; R530-L533 HydrophobicContact CB-CG 4.39Å; R530-L533 PolarHBondContact O-N 2.99Å; R530-L533 VanDerWaalsContact O-N 3.13Å; R530-V534 WeakPolarHBondContact O-CG2 3.49Å; R530-V534 PolarHBondContact O-N 3.42Å | ||
| 531 | E | 92.6 | Very high | 92 | Very high | 161 Ų | 161 | 40.8 Ų | 40.8 | 75% | 0.752 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -50.7 | -45.6 | -176.5 | -175.7 | 180 | 174.8 | 0 | 0 | 113 | L533 V534 T535 | E531-L533 PolarHBondContact O-N 2.84Å; E531-V534 PolarHBondContact O-N 3.39Å; E531-T535 VanDerWaalsContact O-CB 3.27Å; E531-T535 WeakPolarHBondContact O-CB 3.38Å; E531-T535 PolarHBondContact O-N 2.85Å; E531-T535 PolarHBondContact O-OG1 3.08Å |
| 532 | V | 89.9 | Confident | 91.9 | Very high | 84 Ų | 84 | 51.2 Ų | 51.2 | 51% | 0.509 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.4 | -49.3 | -179.4 | -179.5 | 0 | 0 | 0 | 0 | 111.5 | R530 T535 C536 | R530-V532 VanDerWaalsContact C-N 3.28Å; R530-V532 PolarHBondContact O-N 2.9Å; V532-T535 PolarHBondContact O-N 2.94Å; V532-C536 PolarHBondContact O-N 2.9Å; V532-C536 PolarHBondContact O-SG 3.05Å |
| 533 | L | 93.1 | Very high | 91.7 | Very high | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65 | -44.3 | -179.8 | -77.4 | 178.9 | 0 | 0 | 0 | 111.9 | V485 N486 L489 F524 A525 R530 E531 T535 C536 A537 | V485-L533 HydrophobicContact CG1-CD2 3.95Å; N486-L533 WeakPolarHBondContact OD1-CD2 3.08Å; N486-L533 WeakPolarHBondContact OD1-CG 3.43Å; L489-L533 HydrophobicContact CD1-CD2 3.67Å; F524-L533 HydrophobicContact CE1-CD1 4.23Å; A525-L533 HydrophobicContact CB-CB 4Å; A525-L533 HydrophobicContact CB-CD2 4.47Å; R530-L533 HydrophobicContact CB-CB 4.26Å; R530-L533 HydrophobicContact CB-CD1 4.23Å; R530-L533 HydrophobicContact CB-CG 4.39Å; R530-L533 PolarHBondContact O-N 2.99Å; R530-L533 VanDerWaalsContact O-N 3.13Å; E531-L533 PolarHBondContact O-N 2.84Å; L533-T535 VanDerWaalsContact C-N 3.31Å; L533-T535 PolarHBondContact O-N 2.6Å; L533-C536 PolarHBondContact O-N 3.03Å; L533-A537 WeakPolarHBondContact O-CB 3.31Å; L533-A537 PolarHBondContact O-N 2.91Å |
| 534 | V | 95 | Very high | 91.4 | Very high | 37 Ų | 37 | 58.6 Ų | 58.6 | 22% | 0.224 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 177.7 | 175.4 | 0 | 0 | 0 | 0 | 110.1 | A525 R530 E531 A537 L538 | A525-V534 VanDerWaalsContact O-CG2 3.29Å; A525-V534 WeakPolarHBondContact O-CG2 3.27Å; R530-V534 WeakPolarHBondContact O-CG2 3.49Å; R530-V534 PolarHBondContact O-N 3.42Å; E531-V534 PolarHBondContact O-N 3.39Å; V534-A537 PolarHBondContact O-N 3.21Å; V534-L538 HydrophobicContact CG1-CD1 3.83Å; V534-L538 HydrophobicContact CG1-CG 4.28Å; V534-L538 WeakPolarHBondContact O-CB 3.37Å; V534-L538 VanDerWaalsContact O-CG 3.28Å; V534-L538 WeakPolarHBondContact O-CG 3.36Å; V534-L538 PolarHBondContact O-N 2.82Å |
| 535 | T | 94.7 | Very high | 91.3 | Very high | 78 Ų | 78 | 59.4 Ų | 59.4 | 48% | 0.479 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.3 | -47 | 178.3 | -59.8 | 0 | 0 | 0 | 0 | 111.5 | E531 V532 L533 A537 L538 K539 | E531-T535 VanDerWaalsContact O-CB 3.27Å; E531-T535 WeakPolarHBondContact O-CB 3.38Å; E531-T535 PolarHBondContact O-N 2.85Å; E531-T535 PolarHBondContact O-OG1 3.08Å; V532-T535 PolarHBondContact O-N 2.94Å; L533-T535 VanDerWaalsContact C-N 3.31Å; L533-T535 PolarHBondContact O-N 2.6Å; T535-A537 PolarHBondContact O-N 3.11Å; T535-L538 PolarHBondContact O-N 2.87Å; T535-K539 VanDerWaalsContact O-CB 3.29Å; T535-K539 WeakPolarHBondContact O-CB 3.46Å; T535-K539 PolarHBondContact O-N 3.26Å |
| 536 | C | 93.6 | Very high | 91.1 | Very high | 23 Ų | 23 | 59.9 Ų | 59.9 | 16% | 0.155 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.2 | -47.6 | 175.1 | -69.2 | 0 | 0 | 0 | 0 | 111.5 | L489 V532 L533 L538 K539 L540 | L489-C536 HydrophobicContact CB-CB 4.16Å; L489-C536 HydrophobicContact CD1-CB 4.31Å; V532-C536 PolarHBondContact O-N 2.9Å; V532-C536 PolarHBondContact O-SG 3.05Å; L533-C536 PolarHBondContact O-N 3.03Å; C536-L538 PolarHBondContact O-N 3.26Å; C536-K539 PolarHBondContact O-N 2.96Å; C536-L540 VanDerWaalsContact O-CG 3.3Å; C536-L540 WeakPolarHBondContact O-CG 3.44Å; C536-L540 PolarHBondContact O-N 3.08Å |
| 537 | A | 94.5 | Very high | 91 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.5 | -44.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L522 A525 L526 L533 V534 T535 L540 L541 | L522-A537 HydrophobicContact CD2-CB 3.99Å; A525-A537 HydrophobicContact CB-CB 3.86Å; L526-A537 HydrophobicContact CD2-CB 3.98Å; L526-A537 HydrophobicContact CG-CB 4.06Å; L533-A537 WeakPolarHBondContact O-CB 3.31Å; L533-A537 PolarHBondContact O-N 2.91Å; V534-A537 PolarHBondContact O-N 3.21Å; T535-A537 PolarHBondContact O-N 3.11Å; A537-L540 PolarHBondContact O-N 2.72Å; A537-L541 WeakPolarHBondContact O-CB 3.4Å; A537-L541 VanDerWaalsContact O-CG 3.24Å; A537-L541 WeakPolarHBondContact O-CG 3.4Å; A537-L541 PolarHBondContact O-N 2.67Å |
| 538 | L | 94.1 | Very high | 90.9 | Very high | 83 Ų | 83 | 61.8 Ų | 61.8 | 44% | 0.435 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66.9 | -38.4 | 177.7 | -69.6 | 175.7 | 0 | 0 | 0 | 112.5 | L526 V534 T535 C536 R542 | L526-L538 HydrophobicContact CD2-CD2 3.83Å; L526-L538 HydrophobicContact CD2-CG 4.13Å; V534-L538 HydrophobicContact CG1-CD1 3.83Å; V534-L538 HydrophobicContact CG1-CG 4.28Å; V534-L538 WeakPolarHBondContact O-CB 3.37Å; V534-L538 VanDerWaalsContact O-CG 3.28Å; V534-L538 WeakPolarHBondContact O-CG 3.36Å; V534-L538 PolarHBondContact O-N 2.82Å; T535-L538 PolarHBondContact O-N 2.87Å; C536-L538 PolarHBondContact O-N 3.26Å; L538-R542 WeakPolarHBondContact O-CB 3.32Å; L538-R542 VanDerWaalsContact O-CG 3.26Å; L538-R542 WeakPolarHBondContact O-CG 3.46Å; L538-R542 PolarHBondContact O-N 3.39Å |
| 539 | K | 94.2 | Very high | 90.8 | Very high | 77 Ų | 77 | 68.9 Ų | 68.9 | 34% | 0.335 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -57.9 | -49.8 | 174.1 | -178.9 | -178.7 | 178.7 | -179.6 | 0 | 110.6 | D497 T535 C536 R542 T543 | D497-K539 VanDerWaalsContact OD1-CE 3.27Å; D497-K539 WeakPolarHBondContact OD1-CE 3.3Å; D497-K539 IonicContact OD1-NZ 3.79Å; D497-K539 PolarHBondContact OD1-NZ 3.32Å; D497-K539 IonicContact OD2-NZ 3.83Å; D497-K539 PolarHBondContact OD2-NZ 2.8Å; T535-K539 VanDerWaalsContact O-CB 3.29Å; T535-K539 WeakPolarHBondContact O-CB 3.46Å; T535-K539 PolarHBondContact O-N 3.26Å; C536-K539 PolarHBondContact O-N 2.96Å; K539-R542 PolarHBondContact O-N 3.04Å; K539-T543 PolarHBondContact O-N 3.18Å; K539-T543 PolarHBondContact O-OG1 2.91Å |
| 540 | L | 94.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.7 | -45.5 | 179.9 | -65.5 | 177.3 | 0 | 0 | 0 | 112.3 | L489 V492 F509 I513 L522 C536 A537 R542 T543 | L489-L540 HydrophobicContact CD2-CD1 4Å; V492-L540 HydrophobicContact CB-CD1 4.12Å; V492-L540 HydrophobicContact CB-CD2 4.39Å; V492-L540 HydrophobicContact CG1-CD1 3.83Å; V492-L540 HydrophobicContact CG1-CD2 3.61Å; V492-L540 HydrophobicContact CG1-CG 4.37Å; F509-L540 HydrophobicContact CE2-CD2 4.11Å; I513-L540 HydrophobicContact CD1-CB 4.13Å; L522-L540 HydrophobicContact CD2-CB 4.5Å; L522-L540 HydrophobicContact CD2-CD1 4.15Å; C536-L540 VanDerWaalsContact O-CG 3.3Å; C536-L540 WeakPolarHBondContact O-CG 3.44Å; C536-L540 PolarHBondContact O-N 3.08Å; A537-L540 PolarHBondContact O-N 2.72Å; L540-R542 PolarHBondContact O-N 3.36Å; L540-T543 WeakPolarHBondContact O-CB 3.35Å; L540-T543 PolarHBondContact O-N 3.02Å; L540-T543 VanDerWaalsContact O-N 3.1Å; L540-T543 PolarHBondContact O-OG1 2.68Å |
| 541 | L | 93.3 | Very high | 91 | Very high | 18 Ų | 18 | 63.8 Ų | 63.8 | 9% | 0.094 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.2 | -23.6 | 179.4 | -70 | 169.5 | 0 | 0 | 0 | 113.7 | L522 L526 A537 L548 L555 | L522-L541 HydrophobicContact CD1-CD2 4.13Å; L526-L541 HydrophobicContact CD1-CD1 3.91Å; L526-L541 HydrophobicContact CD2-CD1 4.37Å; A537-L541 WeakPolarHBondContact O-CB 3.4Å; A537-L541 VanDerWaalsContact O-CG 3.24Å; A537-L541 WeakPolarHBondContact O-CG 3.4Å; A537-L541 PolarHBondContact O-N 2.67Å; L541-L548 HydrophobicContact CB-CD1 4.49Å; L541-L548 HydrophobicContact CD2-CD1 3.85Å; L541-L555 HydrophobicContact CD1-CD2 4.01Å; L541-L555 HydrophobicContact CD2-CD2 3.97Å |
| 542 | R | 91 | Very high | 90.8 | Very high | 218 Ų | 218 | 58.4 Ų | 58.4 | 82% | 0.823 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -10.9 | 175.4 | -79.3 | 177.7 | 150.7 | -176.4 | -5.6 | 113.7 | L538 K539 L540 | L538-R542 WeakPolarHBondContact O-CB 3.32Å; L538-R542 VanDerWaalsContact O-CG 3.26Å; L538-R542 WeakPolarHBondContact O-CG 3.46Å; L538-R542 PolarHBondContact O-N 3.39Å; K539-R542 PolarHBondContact O-N 3.04Å; L540-R542 PolarHBondContact O-N 3.36Å |
| 543 | T | 90.3 | Very high | 90.9 | Very high | 25 Ų | 25 | 61.8 Ų | 61.8 | 15% | 0.153 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -72.6 | 136 | -176.3 | -52.2 | 0 | 0 | 0 | 0 | 110 | T496 F509 K539 L540 S545 C546 | T496-T543 HydrophobicContact CG2-CG2 4.23Å; F509-T543 HydrophobicContact CE1-CG2 3.83Å; F509-T543 HydrophobicContact CZ-CG2 3.71Å; K539-T543 PolarHBondContact O-N 3.18Å; K539-T543 PolarHBondContact O-OG1 2.91Å; L540-T543 WeakPolarHBondContact O-CB 3.35Å; L540-T543 PolarHBondContact O-N 3.02Å; L540-T543 VanDerWaalsContact O-N 3.1Å; L540-T543 PolarHBondContact O-OG1 2.68Å; T543-S545 PolarHBondContact O-N 2.56Å; T543-S545 VanDerWaalsContact O-N 3.11Å; T543-C546 WeakPolarHBondContact O-CB 3.46Å; T543-C546 PolarHBondContact O-N 2.76Å |
| 544 | P | 86.4 | Confident | 90.7 | Very high | 131 Ų | 131 | 66 Ų | 66 | 85% | 0.851 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -30.8 | -176.6 | -26.7 | 34.7 | 0 | 0 | 0 | 114.4 | C546 | P544-C546 VanDerWaalsContact C-N 3.27Å; P544-C546 PolarHBondContact O-N 3.44Å |
| 545 | S | 87 | Confident | 90.4 | Very high | 30 Ų | 30 | 65 Ų | 65 | 21% | 0.21 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -21.6 | 179.1 | -45.7 | 0 | 0 | 0 | 0 | 113.9 | E510 T543 P547 | E510-S545 WeakPolarHBondContact OE1-CB 3.36Å; E510-S545 PolarHBondContact OE1-OG 2.79Å; E510-S545 WeakPolarHBondContact OE2-CB 3.46Å; T543-S545 PolarHBondContact O-N 2.56Å; T543-S545 VanDerWaalsContact O-N 3.11Å; S545-P547 WeakPolarHBondContact O-CD 3.36Å |
| 546 | C | 89.6 | Confident | 90.2 | Very high | 11 Ų | 11 | 64.5 Ų | 64.5 | 7% | 0.074 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -73 | 121 | -179.9 | 177.8 | 0 | 0 | 0 | 0 | 110.1 | I513 T543 P544 L548 | I513-C546 HydrophobicContact CD1-CB 4.34Å; I513-C546 HydrophobicContact CG1-CB 3.85Å; T543-C546 WeakPolarHBondContact O-CB 3.46Å; T543-C546 PolarHBondContact O-N 2.76Å; P544-C546 VanDerWaalsContact C-N 3.27Å; P544-C546 PolarHBondContact O-N 3.44Å; C546-L548 PolarHBondContact O-N 3.05Å |
| 547 | P | 88.6 | Confident | 90 | Very high | 44 Ų | 44 | 67.7 Ų | 67.7 | 29% | 0.286 | 36% | 0.358 | S | S | . | . | trans | -79 | 60.9 | -180 | 36.4 | -38.2 | 0 | 0 | 0 | 110.9 | K514 S545 N549 S550 F551 | K514-P547 HydrophobicContact CG-CG 4.45Å; S545-P547 WeakPolarHBondContact O-CD 3.36Å; P547-N549 VanDerWaalsContact C-N 3.28Å; P547-N549 PolarHBondContact O-N 2.74Å; P547-S550 WeakPolarHBondContact CB-OG 3.1Å; P547-S550 WeakPolarHBondContact O-CB 3.49Å; P547-S550 PolarHBondContact O-N 2.93Å; P547-S550 PolarHBondContact O-OG 3.4Å; P547-F551 HydrophobicContact CG-CD1 4.3Å; P547-F551 HydrophobicContact CG-CD2 4.07Å; P547-F551 HydrophobicContact CG-CE1 3.95Å; P547-F551 HydrophobicContact CG-CE2 3.73Å; P547-F551 HydrophobicContact CG-CG 4.38Å; P547-F551 HydrophobicContact CG-CZ 3.67Å; P547-F551 PolarHBondContact O-N 3.43Å; P547-F551 VanDerWaalsContact O-N 3.11Å | ||
| 548 | L | 86.7 | Confident | 89.7 | Confident | 73 Ų | 73 | 68.4 Ų | 68.4 | 38% | 0.382 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -55.5 | -40.6 | -170.1 | -177.7 | 63.4 | 0 | 0 | 0 | 112.3 | L541 C546 S550 F551 A552 | L541-L548 HydrophobicContact CB-CD1 4.49Å; L541-L548 HydrophobicContact CD2-CD1 3.85Å; C546-L548 PolarHBondContact O-N 3.05Å; L548-S550 VanDerWaalsContact C-N 3.28Å; L548-S550 PolarHBondContact O-N 2.93Å; L548-F551 CarbonylContact O-C 3.58Å; L548-F551 PolarHBondContact O-N 3.4Å; L548-F551 VanDerWaalsContact O-N 3.16Å; L548-A552 WeakPolarHBondContact O-CA 3.46Å; L548-A552 VanDerWaalsContact O-CB 3.32Å; L548-A552 WeakPolarHBondContact O-CB 3.25Å; L548-A552 PolarHBondContact O-N 3.25Å |
| 549 | N | 85.8 | Confident | 89.4 | Confident | 159 Ų | 159 | 66.3 Ų | 66.3 | 85% | 0.85 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -61.9 | -35.3 | 178.5 | -69.9 | -27.7 | 0 | 0 | 0 | 112.8 | P547 | P547-N549 VanDerWaalsContact C-N 3.28Å; P547-N549 PolarHBondContact O-N 2.74Å |
| 550 | S | 86.4 | Confident | 89.1 | Confident | 79 Ų | 79 | 65.2 Ų | 65.2 | 55% | 0.552 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -76.5 | -32.8 | 176.8 | 75.9 | 0 | 0 | 0 | 0 | 112 | P547 L548 | P547-S550 WeakPolarHBondContact CB-OG 3.1Å; P547-S550 WeakPolarHBondContact O-CB 3.49Å; P547-S550 PolarHBondContact O-N 2.93Å; P547-S550 PolarHBondContact O-OG 3.4Å; L548-S550 VanDerWaalsContact C-N 3.28Å; L548-S550 PolarHBondContact O-N 2.93Å |
| 551 | F | 89.8 | Confident | 88.5 | Confident | 7 Ų | 7 | 69.4 Ų | 69.4 | 3% | 0.031 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -84 | -25.8 | -178.1 | -72 | -7.4 | 0 | 0 | 0 | 113.4 | I513 N516 L519 P547 L548 K553 K554 L555 | I513-F551 VanDerWaalsContact O-CE2 3.31Å; I513-F551 WeakPolarHBondContact O-CE2 3.4Å; N516-F551 WeakPolarHBondContact OD1-CE1 3.5Å; L519-F551 HydrophobicContact CD1-CD1 4.03Å; L519-F551 HydrophobicContact CD1-CE1 4.34Å; L519-F551 HydrophobicContact CD1-CG 4.2Å; L519-F551 HydrophobicContact CD2-CB 3.87Å; L519-F551 HydrophobicContact CD2-CD1 4.33Å; L519-F551 HydrophobicContact CD2-CD2 3.57Å; L519-F551 HydrophobicContact CD2-CE2 4.05Å; L519-F551 HydrophobicContact CD2-CG 3.69Å; L519-F551 HydrophobicContact CG-CD2 4.45Å; L519-F551 HydrophobicContact CG-CG 4.44Å; P547-F551 HydrophobicContact CG-CD1 4.3Å; P547-F551 HydrophobicContact CG-CD2 4.07Å; P547-F551 HydrophobicContact CG-CE1 3.95Å; P547-F551 HydrophobicContact CG-CE2 3.73Å; P547-F551 HydrophobicContact CG-CG 4.38Å; P547-F551 HydrophobicContact CG-CZ 3.67Å; P547-F551 PolarHBondContact O-N 3.43Å; P547-F551 VanDerWaalsContact O-N 3.11Å; L548-F551 CarbonylContact O-C 3.58Å; L548-F551 PolarHBondContact O-N 3.4Å; L548-F551 VanDerWaalsContact O-N 3.16Å; F551-K553 VanDerWaalsContact C-N 3.28Å; F551-K553 PolarHBondContact O-N 3.07Å; F551-K553 VanDerWaalsContact O-N 3.12Å; F551-K554 PolarHBondContact O-N 3.34Å; F551-L555 VanDerWaalsContact O-CB 3.31Å; F551-L555 WeakPolarHBondContact O-CB 3.34Å; F551-L555 PolarHBondContact O-N 3.04Å |
| 552 | A | 88.7 | Confident | 87.9 | Confident | 48 Ų | 48 | 69 Ų | 69 | 40% | 0.397 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -51.2 | -44.1 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L548 S556 | L548-A552 WeakPolarHBondContact O-CA 3.46Å; L548-A552 VanDerWaalsContact O-CB 3.32Å; L548-A552 WeakPolarHBondContact O-CB 3.25Å; L548-A552 PolarHBondContact O-N 3.25Å; A552-S556 VanDerWaalsContact O-CB 3.31Å; A552-S556 WeakPolarHBondContact O-CB 3.35Å; A552-S556 PolarHBondContact O-N 2.88Å; A552-S556 PolarHBondContact O-OG 3.49Å |
| 553 | K | 90.6 | Very high | 87.6 | Confident | 154 Ų | 154 | 62 Ų | 62 | 67% | 0.67 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -65.8 | -47.3 | 178.2 | -175.2 | -179.2 | 176.5 | -175.8 | 0 | 112.4 | F551 S556 E557 | F551-K553 VanDerWaalsContact C-N 3.28Å; F551-K553 PolarHBondContact O-N 3.07Å; F551-K553 VanDerWaalsContact O-N 3.12Å; K553-S556 PolarHBondContact O-N 2.89Å; K553-S556 PolarHBondContact O-OG 2.63Å; K553-E557 VanDerWaalsContact CE-OE1 3.29Å; K553-E557 WeakPolarHBondContact CE-OE1 3.24Å; K553-E557 WeakPolarHBondContact O-CG 3.35Å; K553-E557 PolarHBondContact O-N 3.16Å; K553-E557 VanDerWaalsContact O-N 3.09Å |
| 554 | K | 88.9 | Confident | 87 | Confident | 92 Ų | 92 | 64.6 Ų | 64.6 | 40% | 0.4 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -71.3 | -37.2 | -178.5 | -173.4 | 170.8 | 174 | -167.6 | 0 | 111.5 | L519 F551 E557 L558 | L519-K554 HydrophobicContact CD1-CB 4.15Å; L519-K554 HydrophobicContact CD1-CD 3.62Å; L519-K554 HydrophobicContact CD1-CG 3.91Å; F551-K554 PolarHBondContact O-N 3.34Å; K554-E557 PolarHBondContact O-N 2.87Å; K554-L558 HydrophobicContact CG-CD1 4.29Å; K554-L558 WeakPolarHBondContact O-CB 3.29Å; K554-L558 VanDerWaalsContact O-CG 3.28Å; K554-L558 WeakPolarHBondContact O-CG 3.17Å; K554-L558 PolarHBondContact O-N 2.87Å |
| 555 | L | 89.7 | Confident | 86.2 | Confident | 15 Ų | 15 | 59.2 Ų | 59.2 | 8% | 0.079 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.6 | -44.5 | 175 | -173.1 | 69.2 | 0 | 0 | 0 | 110.9 | L519 L522 A523 L526 L541 F551 E557 L558 V559 | L519-L555 HydrophobicContact CD2-CD1 4.32Å; L522-L555 HydrophobicContact CB-CD1 4.09Å; A523-L555 HydrophobicContact CB-CD1 4.1Å; L526-L555 HydrophobicContact CD1-CD1 4.48Å; L526-L555 HydrophobicContact CD1-CD2 4.23Å; L541-L555 HydrophobicContact CD1-CD2 4.01Å; L541-L555 HydrophobicContact CD2-CD2 3.97Å; F551-L555 VanDerWaalsContact O-CB 3.31Å; F551-L555 WeakPolarHBondContact O-CB 3.34Å; F551-L555 PolarHBondContact O-N 3.04Å; L555-E557 PolarHBondContact O-N 3.5Å; L555-L558 PolarHBondContact O-N 3.4Å; L555-V559 HydrophobicContact CG-CG2 4.43Å; L555-V559 WeakPolarHBondContact O-CB 3.49Å; L555-V559 VanDerWaalsContact O-CG2 3.28Å; L555-V559 WeakPolarHBondContact O-CG2 3.35Å; L555-V559 PolarHBondContact O-N 3.42Å |
| 556 | S | 89 | Confident | 85.3 | Confident | 68 Ų | 68 | 63.3 Ų | 63.3 | 48% | 0.476 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.1 | -38.6 | 177.4 | 67.8 | 0 | 0 | 0 | 0 | 112.4 | A552 K553 V559 A560 | A552-S556 VanDerWaalsContact O-CB 3.31Å; A552-S556 WeakPolarHBondContact O-CB 3.35Å; A552-S556 PolarHBondContact O-N 2.88Å; A552-S556 PolarHBondContact O-OG 3.49Å; K553-S556 PolarHBondContact O-N 2.89Å; K553-S556 PolarHBondContact O-OG 2.63Å; S556-V559 PolarHBondContact O-N 3.3Å; S556-A560 VanDerWaalsContact O-CB 3.26Å; S556-A560 WeakPolarHBondContact O-CB 3.37Å; S556-A560 PolarHBondContact O-N 2.91Å |
| 557 | E | 89.8 | Confident | 83.9 | Confident | 90 Ų | 90 | 65.9 Ų | 65.9 | 42% | 0.421 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.6 | -42.8 | 172.1 | -74.3 | 172.8 | -162.4 | 0 | 0 | 112.1 | K553 K554 L555 K561 | K553-E557 VanDerWaalsContact CE-OE1 3.29Å; K553-E557 WeakPolarHBondContact CE-OE1 3.24Å; K553-E557 WeakPolarHBondContact O-CG 3.35Å; K553-E557 PolarHBondContact O-N 3.16Å; K553-E557 VanDerWaalsContact O-N 3.09Å; K554-E557 PolarHBondContact O-N 2.87Å; L555-E557 PolarHBondContact O-N 3.5Å; E557-K561 WeakPolarHBondContact O-CB 3.46Å; E557-K561 VanDerWaalsContact O-CG 3.23Å; E557-K561 WeakPolarHBondContact O-CG 3.17Å; E557-K561 PolarHBondContact O-N 3.3Å |
| 558 | L | 89.1 | Confident | 82.2 | Confident | 15 Ų | 15 | 66.1 Ų | 66.1 | 8% | 0.079 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -69.4 | -41.6 | 177.8 | -72.4 | 168.8 | 0 | 0 | 0 | 112.4 | P471 L519 P520 A523 K554 L555 K561 Q562 | P471-L558 HydrophobicContact CB-CD2 4.46Å; P471-L558 HydrophobicContact CG-CD2 4.15Å; L519-L558 HydrophobicContact CB-CD1 3.71Å; P520-L558 HydrophobicContact CG-CD1 4.25Å; A523-L558 HydrophobicContact CB-CB 3.55Å; K554-L558 HydrophobicContact CG-CD1 4.29Å; K554-L558 WeakPolarHBondContact O-CB 3.29Å; K554-L558 VanDerWaalsContact O-CG 3.28Å; K554-L558 WeakPolarHBondContact O-CG 3.17Å; K554-L558 PolarHBondContact O-N 2.87Å; L555-L558 PolarHBondContact O-N 3.4Å; L558-K561 PolarHBondContact O-N 3.47Å; L558-Q562 WeakPolarHBondContact O-CB 3.45Å; L558-Q562 VanDerWaalsContact O-CG 3.29Å; L558-Q562 WeakPolarHBondContact O-CG 3.32Å; L558-Q562 PolarHBondContact O-N 2.94Å |
| 559 | V | 88.3 | Confident | 80.4 | Confident | 39 Ų | 39 | 67.3 Ų | 67.3 | 24% | 0.236 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.9 | -46.9 | 175 | 166.3 | 0 | 0 | 0 | 0 | 110.3 | A523 L526 V527 L555 S556 K561 Q562 V563 | A523-V559 HydrophobicContact CB-CG2 3.9Å; L526-V559 HydrophobicContact CD1-CG2 4.3Å; V527-V559 HydrophobicContact CG2-CB 4.36Å; V527-V559 HydrophobicContact CG2-CG1 3.76Å; V527-V559 HydrophobicContact CG2-CG2 4.33Å; L555-V559 HydrophobicContact CG-CG2 4.43Å; L555-V559 WeakPolarHBondContact O-CB 3.49Å; L555-V559 VanDerWaalsContact O-CG2 3.28Å; L555-V559 WeakPolarHBondContact O-CG2 3.35Å; L555-V559 PolarHBondContact O-N 3.42Å; S556-V559 PolarHBondContact O-N 3.3Å; V559-K561 VanDerWaalsContact C-N 3.32Å; V559-K561 PolarHBondContact O-N 2.93Å; V559-Q562 PolarHBondContact O-N 3.43Å; V559-V563 HydrophobicContact CG1-CG2 4.41Å; V559-V563 VanDerWaalsContact O-CG2 3.3Å; V559-V563 WeakPolarHBondContact O-CG2 3.45Å; V559-V563 PolarHBondContact O-N 2.83Å |
| 560 | A | 86.1 | Confident | 78.3 | Confident | 54 Ų | 54 | 64.2 Ų | 64.2 | 45% | 0.446 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -58 | -44.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | S556 V563 S564 | S556-A560 VanDerWaalsContact O-CB 3.26Å; S556-A560 WeakPolarHBondContact O-CB 3.37Å; S556-A560 PolarHBondContact O-N 2.91Å; A560-V563 PolarHBondContact O-N 3.04Å; A560-S564 PolarHBondContact O-N 3.48Å; A560-S564 PolarHBondContact O-OG 3.31Å; A560-S564 VanDerWaalsContact O-OG 3.11Å |
| 561 | K | 83.2 | Confident | 76.2 | Confident | 87 Ų | 87 | 67.6 Ų | 67.6 | 38% | 0.378 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60 | -48.2 | 175.6 | -74.4 | 170.6 | -177 | 178.3 | 0 | 112.3 | L472 E557 L558 V559 V563 S564 C565 | L472-K561 HydrophobicContact CD2-CB 4.39Å; L472-K561 HydrophobicContact CD2-CG 4.49Å; E557-K561 WeakPolarHBondContact O-CB 3.46Å; E557-K561 VanDerWaalsContact O-CG 3.23Å; E557-K561 WeakPolarHBondContact O-CG 3.17Å; E557-K561 PolarHBondContact O-N 3.3Å; L558-K561 PolarHBondContact O-N 3.47Å; V559-K561 VanDerWaalsContact C-N 3.32Å; V559-K561 PolarHBondContact O-N 2.93Å; K561-V563 VanDerWaalsContact C-N 3.34Å; K561-V563 PolarHBondContact O-N 3.26Å; K561-S564 PolarHBondContact O-N 2.9Å; K561-C565 PolarHBondContact O-N 2.69Å; K561-C565 VanDerWaalsContact O-N 3.09Å; K561-C565 PolarHBondContact O-SG 3.31Å |
| 562 | Q | 81.1 | Confident | 73.5 | Confident | 9 Ų | 9 | 70.1 Ų | 70.1 | 4% | 0.042 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -61.9 | -39.7 | 179.2 | -72.8 | -72.9 | -8.1 | 0 | 0 | 112.4 | P471 V527 L558 V559 R566 | P471-Q562 VanDerWaalsContact CB-NE2 3.34Å; V527-Q562 HydrophobicContact CB-CB 4.49Å; V527-Q562 HydrophobicContact CG1-CB 4.49Å; V527-Q562 HydrophobicContact CG2-CB 4.4Å; L558-Q562 WeakPolarHBondContact O-CB 3.45Å; L558-Q562 VanDerWaalsContact O-CG 3.29Å; L558-Q562 WeakPolarHBondContact O-CG 3.32Å; L558-Q562 PolarHBondContact O-N 2.94Å; V559-Q562 PolarHBondContact O-N 3.43Å; Q562-R566 PolarHBondContact O-N 3.34Å |
| 563 | V | 83.4 | Confident | 70.7 | Confident | 73 Ų | 73 | 74.9 Ų | 74.9 | 44% | 0.442 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -66 | -44.2 | 175.8 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | V527 V559 A560 K561 C565 R566 S567 | V527-V563 HydrophobicContact CG1-CG2 3.66Å; V527-V563 HydrophobicContact CG2-CG2 3.94Å; V559-V563 HydrophobicContact CG1-CG2 4.41Å; V559-V563 VanDerWaalsContact O-CG2 3.3Å; V559-V563 WeakPolarHBondContact O-CG2 3.45Å; V559-V563 PolarHBondContact O-N 2.83Å; A560-V563 PolarHBondContact O-N 3.04Å; K561-V563 VanDerWaalsContact C-N 3.34Å; K561-V563 PolarHBondContact O-N 3.26Å; V563-C565 VanDerWaalsContact C-N 3.34Å; V563-C565 PolarHBondContact O-N 3.12Å; V563-R566 PolarHBondContact O-N 3.36Å; V563-S567 PolarHBondContact O-N 3.46Å |
| 564 | S | 78.6 | Confident | 67.8 | Low | 78 Ų | 78 | 71 Ų | 71 | 55% | 0.545 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.9 | -39.5 | 177.6 | -64.6 | 0 | 0 | 0 | 0 | 112.8 | A560 K561 S567 A568 | A560-S564 PolarHBondContact O-N 3.48Å; A560-S564 PolarHBondContact O-OG 3.31Å; A560-S564 VanDerWaalsContact O-OG 3.11Å; K561-S564 PolarHBondContact O-N 2.9Å; S564-S567 PolarHBondContact O-N 3.19Å; S564-S567 PolarHBondContact O-OG 3.4Å; S564-A568 PolarHBondContact O-N 3.37Å |
| 565 | C | 70 | Confident | 64.9 | Low | 19 Ų | 19 | 75 Ų | 75 | 13% | 0.128 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -64.7 | -42.8 | 175.4 | -68.7 | 0 | 0 | 0 | 0 | 112.2 | K561 V563 S567 A568 H569 | K561-C565 PolarHBondContact O-N 2.69Å; K561-C565 VanDerWaalsContact O-N 3.09Å; K561-C565 PolarHBondContact O-SG 3.31Å; V563-C565 VanDerWaalsContact C-N 3.34Å; V563-C565 PolarHBondContact O-N 3.12Å; C565-S567 PolarHBondContact O-N 3.33Å; C565-A568 WeakPolarHBondContact O-CB 3.06Å; C565-A568 PolarHBondContact O-N 3.45Å; C565-H569 PolarHBondContact O-CD2 3.01Å; C565-H569 PolarHBondContact O-N 3.13Å |
| 566 | R | 67.4 | Low | 62.1 | Low | 116 Ų | 116 | 79.5 Ų | 79.5 | 44% | 0.438 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65 | -36.6 | 176.8 | -77.8 | -176 | 162.9 | -149.5 | -9 | 113 | V527 S528 Q562 V563 A568 H569 S570 | V527-R566 PolarHBondContact O-NH1 3.48Å; S528-R566 PolarHBondContact O-NH1 3.43Å; S528-R566 PolarHBondContact O-NH2 2.92Å; S528-R566 VanDerWaalsContact O-NH2 3.08Å; Q562-R566 PolarHBondContact O-N 3.34Å; V563-R566 PolarHBondContact O-N 3.36Å; R566-A568 VanDerWaalsContact C-N 3.31Å; R566-A568 PolarHBondContact O-N 2.71Å; R566-H569 PolarHBondContact O-N 3.17Å; R566-S570 PolarHBondContact O-N 2.82Å; R566-S570 VanDerWaalsContact O-N 3.08Å |
| 567 | S | 60 | Low | 59.2 | Low | 65 Ų | 65 | 81.7 Ų | 81.7 | 46% | 0.455 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.7 | -32 | 176.2 | 101 | 0 | 0 | 0 | 0 | 112.1 | V563 S564 C565 S570 L571 | V563-S567 PolarHBondContact O-N 3.46Å; S564-S567 PolarHBondContact O-N 3.19Å; S564-S567 PolarHBondContact O-OG 3.4Å; C565-S567 PolarHBondContact O-N 3.33Å; S567-S570 PolarHBondContact O-N 3.31Å; S567-L571 WeakPolarHBondContact O-CG 3.25Å; S567-L571 PolarHBondContact O-N 2.94Å |
| 568 | A | 54.5 | Low | 56.3 | Low | 48 Ų | 48 | 84 Ų | 84 | 40% | 0.397 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.6 | -38.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S564 C565 R566 | S564-A568 PolarHBondContact O-N 3.37Å; C565-A568 WeakPolarHBondContact O-CB 3.06Å; C565-A568 PolarHBondContact O-N 3.45Å; R566-A568 VanDerWaalsContact C-N 3.31Å; R566-A568 PolarHBondContact O-N 2.71Å |
| 569 | H | 47.5 | Very low | 53.4 | Low | 98 Ų | 98 | 87.6 Ų | 87.6 | 45% | 0.454 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.8 | -37.1 | 172.7 | -71.4 | -63.7 | 0 | 0 | 0 | 113.1 | M474 C565 R566 L571 G572 | M474-H569 PolarHBondContact O-CE1 3.39Å; M474-H569 VanDerWaalsContact O-CE1 3.25Å; C565-H569 PolarHBondContact O-CD2 3.01Å; C565-H569 PolarHBondContact O-N 3.13Å; R566-H569 PolarHBondContact O-N 3.17Å; H569-L571 VanDerWaalsContact C-N 3.33Å; H569-L571 PolarHBondContact O-N 2.94Å; H569-G572 PolarHBondContact O-N 2.71Å |
| 570 | S | 42.6 | Very low | 50.4 | Low | 94 Ų | 94 | 97.6 Ų | 97.6 | 66% | 0.657 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -72.5 | -23 | -179.1 | -171.1 | 0 | 0 | 0 | 0 | 113.9 | R566 S567 G572 | R566-S570 PolarHBondContact O-N 2.82Å; R566-S570 VanDerWaalsContact O-N 3.08Å; S567-S570 PolarHBondContact O-N 3.31Å; S570-G572 VanDerWaalsContact C-N 3.35Å |
| 571 | L | 40.9 | Very low | 47.5 | Very low | 150 Ų | 150 | 104 Ų | 104 | 79% | 0.785 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -6.3 | 179.6 | -74 | 163 | 0 | 0 | 0 | 113.4 | S567 H569 | S567-L571 WeakPolarHBondContact O-CG 3.25Å; S567-L571 PolarHBondContact O-N 2.94Å; H569-L571 VanDerWaalsContact C-N 3.33Å; H569-L571 PolarHBondContact O-N 2.94Å |
| 572 | G | 34.3 | Very low | 44.9 | Very low | 61 Ų | 61 | 109 Ų | 109 | 63% | 0.629 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -12.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | H569 S570 | H569-G572 PolarHBondContact O-N 2.71Å; S570-G572 VanDerWaalsContact C-N 3.35Å |
| 573 | N | 30.1 | Very low | 42.2 | Very low | 147 Ų | 147 | 112.3 Ų | 112.3 | 79% | 0.786 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -121.9 | 98.1 | -177.3 | -80.8 | 3.5 | 0 | 0 | 0 | 111 | ||
| 574 | G | 28.4 | Very low | 39.4 | Very low | 73 Ų | 73 | 112 Ų | 112 | 75% | 0.753 | 67% | 0.672 | S | S | * | * | trans | 83.5 | 119.4 | 153.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | S576 | G574-S576 PolarHBondContact O-N 3.4Å; G574-S576 VanDerWaalsContact O-N 3.11Å | ||
| 575 | D | 29.5 | Very low | 37.1 | Very low | 177 Ų | 177 | 116.1 Ų | 116.1 | 95% | 0.947 | 69% | 0.688 | S | S | * | * | trans | -41.6 | 109.7 | 152.8 | -81.9 | -46.6 | 0 | 0 | 0 | 112.1 | ||||
| 576 | S | 29.5 | Very low | 35.2 | Very low | 109 Ų | 109 | 123.6 Ų | 123.6 | 76% | 0.762 | 73% | 0.726 | S | S | * | * | trans | -164.7 | 98.7 | 134.5 | 68.6 | 0 | 0 | 0 | 0 | 109.5 | G574 N578 | G574-S576 PolarHBondContact O-N 3.4Å; G574-S576 VanDerWaalsContact O-N 3.11Å; S576-N578 PolarHBondContact O-N 3.37Å; S576-N578 VanDerWaalsContact O-N 3.1Å | ||
| 577 | S | 28.7 | Very low | 33.4 | Very low | 113 Ų | 113 | 126.3 Ų | 126.3 | 79% | 0.79 | 75% | 0.748 | S | S | * | * | trans | -55.5 | 110 | 156.1 | 162 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 578 | N | 29.7 | Very low | 31.8 | Very low | 139 Ų | 139 | 134.8 Ų | 134.8 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | trans | -151.9 | 80.8 | 146.9 | -96.9 | -17.7 | 0 | 0 | 0 | 109.9 | S576 W580 | S576-N578 PolarHBondContact O-N 3.37Å; S576-N578 VanDerWaalsContact O-N 3.1Å; N578-W580 PolarHBondContact O-N 2.91Å | ||
| 579 | S | 27.5 | Very low | 30.6 | Very low | 90 Ų | 90 | 137 Ų | 137 | 63% | 0.629 | 79% | 0.789 | S | S | * | * | trans | -38.6 | 119.1 | 155 | 150.7 | 0 | 0 | 0 | 0 | 110.4 | K581 | S579-K581 VanDerWaalsContact C-N 3.28Å; S579-K581 PolarHBondContact O-N 3.32Å | ||
| 580 | W | 24.6 | Very low | 29.7 | Very low | 249 Ų | 249 | 141.8 Ų | 141.8 | 94% | 0.943 | 81% | 0.808 | S | S | * | * | trans | -62.5 | 85.5 | 170.3 | -64.9 | 13.3 | 0 | 0 | 0 | 110 | N578 | N578-W580 PolarHBondContact O-N 2.91Š| ||
| 581 | K | 26.6 | Very low | 29 | Very low | 190 Ų | 190 | 145.3 Ų | 145.3 | 83% | 0.826 | 82% | 0.82 | S | S | * | * | trans | -96.4 | 84.2 | 162.8 | -82.4 | -175.4 | 176.5 | 179.7 | 0 | 108.1 | S579 | S579-K581 VanDerWaalsContact C-N 3.28Å; S579-K581 PolarHBondContact O-N 3.32Å | ||
| 582 | M | 27.2 | Very low | 28.5 | Very low | 190 Ų | 190 | 144.2 Ų | 144.2 | 94% | 0.936 | 83% | 0.825 | S | S | * | * | trans | -70.8 | 119.4 | 160.3 | -90.8 | -89 | -82.3 | 0 | 0 | 108.7 | ||||
| 583 | G | 24.5 | Very low | 28.5 | Very low | 80 Ų | 80 | 145.6 Ų | 145.6 | 83% | 0.825 | 83% | 0.83 | S | S | * | * | trans | 127.5 | 107 | 163.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 584 | G | 24.8 | Very low | 28.5 | Very low | 67 Ų | 67 | 146.5 Ų | 146.5 | 69% | 0.691 | 84% | 0.835 | S | S | * | * | S | Bend | trans | 172.1 | -61.5 | 164 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||
| 585 | D | 30.5 | Very low | 28.8 | Very low | 164 Ų | 164 | 148.9 Ų | 148.9 | 88% | 0.877 | 84% | 0.84 | S | S | * | * | S | Bend | trans | -106.3 | 7.4 | -147 | -74.3 | -24.9 | 0 | 0 | 0 | 118 | ||
| 586 | L | 29.9 | Very low | 28.9 | Very low | 175 Ų | 175 | 150.2 Ų | 150.2 | 92% | 0.916 | 84% | 0.838 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | 9.8 | -179.2 | -77.2 | 174.8 | 0 | 0 | 0 | 116.4 | ||
| 587 | L | 29.4 | Very low | 29.2 | Very low | 174 Ų | 174 | 154.4 Ų | 154.4 | 91% | 0.911 | 85% | 0.846 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.3 | 21 | 179.6 | -73.3 | 177.9 | 0 | 0 | 0 | 116 | ||
| 588 | R | 27.2 | Very low | 29.3 | Very low | 242 Ų | 242 | 158.4 Ų | 158.4 | 91% | 0.913 | 85% | 0.852 | S | S | * | * | S | Bend | trans | -121 | 7.2 | 177.5 | -138.4 | 177.5 | -175.3 | -166 | 0.1 | 117.2 | ||
| 589 | A | 29.8 | Very low | 29.7 | Very low | 96 Ų | 96 | 162.4 Ų | 162.4 | 79% | 0.793 | 86% | 0.858 | S | S | * | * | S | Bend | trans | -97.6 | -0.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 590 | F | 27.8 | Very low | 30.4 | Very low | 197 Ų | 197 | 164.2 Ų | 164.2 | 86% | 0.864 | 87% | 0.869 | S | S | * | * | trans | -109.7 | 84.3 | 174.1 | -77.9 | -83.5 | 0 | 0 | 0 | 110.9 | ||||
| 591 | N | 27.2 | Very low | 31.2 | Very low | 169 Ų | 169 | 156.6 Ų | 156.6 | 90% | 0.904 | 86% | 0.859 | S | S | * | * | trans | -177.4 | 92.7 | 154 | -91.5 | -24.4 | 0 | 0 | 0 | 110.4 | ||||
| 592 | S | 31.9 | Very low | 32.1 | Very low | 126 Ų | 126 | 153.6 Ų | 153.6 | 88% | 0.881 | 86% | 0.856 | S | S | * | * | trans | -158 | 104.9 | 156.8 | -176.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 593 | A | 33.1 | Very low | 33 | Very low | 90 Ų | 90 | 154.2 Ų | 154.2 | 74% | 0.744 | 85% | 0.854 | S | S | * | * | trans | -123.3 | 116.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 594 | N | 31.6 | Very low | 34.2 | Very low | 167 Ų | 167 | 155 Ų | 155 | 89% | 0.893 | 85% | 0.852 | S | S | * | * | trans | -167.1 | 90 | 169.8 | -91.2 | -24.5 | 0 | 0 | 0 | 110.3 | ||||
| 595 | S | 32.7 | Very low | 35.3 | Very low | 122 Ų | 122 | 155.5 Ų | 155.5 | 85% | 0.853 | 85% | 0.85 | S | S | * | * | trans | -166.2 | 80 | 162.9 | 63.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 596 | F | 31.9 | Very low | 36.4 | Very low | 206 Ų | 206 | 153.7 Ų | 153.7 | 90% | 0.904 | 84% | 0.841 | S | S | * | * | trans | -155.4 | 29.2 | 171.6 | -161.5 | -107 | 0 | 0 | 0 | 116.7 | ||||
| 597 | E | 35.6 | Very low | 37.4 | Very low | 197 Ų | 197 | 148.4 Ų | 148.4 | 92% | 0.921 | 83% | 0.828 | S | S | * | * | trans | -119.8 | 10.5 | -173.7 | -93.9 | 178.3 | 167.2 | 0 | 0 | 118.7 | ||||
| 598 | E | 32.5 | Very low | 38.4 | Very low | 196 Ų | 196 | 148.6 Ų | 148.6 | 92% | 0.916 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -101.4 | 6 | -173.5 | -142.3 | 166.8 | -173.1 | 0 | 0 | 117.6 | ||
| 599 | Y | 36.6 | Very low | 39.5 | Very low | 223 Ų | 223 | 146.8 Ų | 146.8 | 88% | 0.875 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -97.9 | -6.3 | -174.3 | -149.2 | -99.5 | 0 | 0 | 0 | 117.1 | ||
| 600 | C | 42.6 | Very low | 40.6 | Very low | 129 Ų | 129 | 148.5 Ų | 148.5 | 87% | 0.872 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -95.4 | -0.3 | -172.8 | -78.7 | 0 | 0 | 0 | 0 | 116.7 | ||
| 601 | A | 41.6 | Very low | 42 | Very low | 89 Ų | 89 | 143.2 Ų | 143.2 | 74% | 0.736 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -88.2 | -12.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 602 | V | 46 | Very low | 43.2 | Very low | 126 Ų | 126 | 142.4 Ų | 142.4 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -86.5 | -20.1 | -170.7 | -178.8 | 0 | 0 | 0 | 0 | 114.4 | A604 | V602-A604 PolarHBondContact O-N 3.26Š|
| 603 | K | 45.7 | Very low | 44.2 | Very low | 204 Ų | 204 | 142.3 Ų | 142.3 | 89% | 0.887 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -15.8 | -173.6 | -120.1 | 178.4 | -178.1 | 177.5 | 0 | 115.5 | ||
| 604 | A | 50.3 | Low | 45.4 | Very low | 95 Ų | 95 | 144 Ų | 144 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -14.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | V602 | V602-A604 PolarHBondContact O-N 3.26Š|
| 605 | A | 48.1 | Very low | 46.9 | Very low | 78 Ų | 78 | 140 Ų | 140 | 65% | 0.645 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -87.1 | -18.9 | -174 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 606 | N | 52.3 | Low | 48.2 | Very low | 127 Ų | 127 | 139.7 Ų | 139.7 | 68% | 0.679 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -84.9 | -10.9 | -174.1 | -82.6 | -10.8 | 0 | 0 | 0 | 115.7 | K608 | N606-K608 VanDerWaalsContact C-N 3.34Å; N606-K608 PolarHBondContact O-N 3.47Å |
| 607 | G | 50.7 | Low | 49.5 | Very low | 63 Ų | 63 | 135.5 Ų | 135.5 | 65% | 0.649 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -73.6 | -16.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 608 | K | 51 | Low | 50.7 | Low | 179 Ų | 179 | 135 Ų | 135 | 78% | 0.778 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -88.7 | -14.3 | -173.4 | -110.4 | 179.5 | 178 | 179.8 | 0 | 115.6 | N606 S611 | N606-K608 VanDerWaalsContact C-N 3.34Å; N606-K608 PolarHBondContact O-N 3.47Å; K608-S611 PolarHBondContact O-OG 3.31Å |
| 609 | R | 50.2 | Low | 51.7 | Low | 203 Ų | 203 | 134.2 Ų | 134.2 | 77% | 0.766 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -84.8 | -18.8 | -177.9 | -72.9 | -174.9 | 179.7 | 179.8 | 1.1 | 114.7 | ||
| 610 | I | 54.3 | Low | 52.5 | Low | 132 Ų | 132 | 130.4 Ų | 130.4 | 68% | 0.677 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -80.2 | -27.3 | -174.4 | -68.6 | 167.6 | 0 | 0 | 0 | 112.1 | E612 | I610-E612 VanDerWaalsContact C-N 3.35Å; I610-E612 PolarHBondContact O-N 2.96Å |
| 611 | S | 56.9 | Low | 53 | Low | 86 Ų | 86 | 134.9 Ų | 134.9 | 60% | 0.601 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -13.6 | -177 | 51.4 | 0 | 0 | 0 | 0 | 115.3 | K608 | K608-S611 PolarHBondContact O-OG 3.31Š|
| 612 | E | 51.6 | Low | 53.4 | Low | 152 Ų | 152 | 135.6 Ų | 135.6 | 71% | 0.71 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -22.7 | 179.2 | -70.7 | -179.5 | 168.1 | 0 | 0 | 113.1 | I610 | I610-E612 VanDerWaalsContact C-N 3.35Å; I610-E612 PolarHBondContact O-N 2.96Å |
| 613 | L | 52.7 | Low | 53.3 | Low | 125 Ų | 125 | 135.4 Ų | 135.4 | 65% | 0.654 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | -33.4 | -177.9 | -99.1 | 154.8 | 0 | 0 | 0 | 113.8 | S615 I616 | L613-S615 PolarHBondContact O-N 3.32Å; L613-I616 PolarHBondContact O-N 2.96Å |
| 614 | D | 58.8 | Low | 53.5 | Low | 125 Ų | 125 | 135.3 Ų | 135.3 | 67% | 0.668 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -69.3 | -17.4 | -178.3 | -102.1 | -13.7 | 0 | 0 | 0 | 114.1 | ||
| 615 | S | 62.9 | Low | 53.7 | Low | 83 Ų | 83 | 137.4 Ų | 137.4 | 58% | 0.58 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -72.3 | -32.1 | 178.4 | 172.3 | 0 | 0 | 0 | 0 | 112.9 | L613 | L613-S615 PolarHBondContact O-N 3.32Å |
| 616 | I | 59.5 | Low | 53.9 | Low | 115 Ų | 115 | 138.9 Ų | 138.9 | 59% | 0.59 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -79.2 | -35.1 | -170 | -60.8 | 175.1 | 0 | 0 | 0 | 111.6 | L613 K618 K619 | L613-I616 PolarHBondContact O-N 2.96Å; I616-K618 VanDerWaalsContact C-N 3.34Å; I616-K618 PolarHBondContact O-N 3.49Å; I616-K619 PolarHBondContact O-N 2.84Å |
| 617 | L | 59.4 | Low | 54.1 | Low | 118 Ų | 118 | 138.6 Ų | 138.6 | 62% | 0.618 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -69.2 | -25.7 | -173.7 | -115.7 | 152 | 0 | 0 | 0 | 114.2 | K619 | L617-K619 VanDerWaalsContact C-N 3.34Å; L617-K619 PolarHBondContact O-N 3.18Å |
| 618 | K | 61.2 | Low | 54.3 | Low | 187 Ų | 187 | 143.7 Ų | 143.7 | 81% | 0.813 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | -21.4 | -178.9 | -93.4 | 178.5 | 176.1 | 172.7 | 0 | 114.4 | I616 | I616-K618 VanDerWaalsContact C-N 3.34Å; I616-K618 PolarHBondContact O-N 3.49Å |
| 619 | K | 54.5 | Low | 54.6 | Low | 179 Ų | 179 | 137.9 Ų | 137.9 | 78% | 0.778 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -15.6 | -174.5 | -75.3 | -177.2 | 176.9 | 177.7 | 0 | 114.9 | I616 L617 | I616-K619 PolarHBondContact O-N 2.84Å; L617-K619 VanDerWaalsContact C-N 3.34Å; L617-K619 PolarHBondContact O-N 3.18Å |
| 620 | L | 53.3 | Low | 55.3 | Low | 143 Ų | 143 | 131.2 Ų | 131.2 | 75% | 0.749 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -88 | -11 | -172.1 | -93.4 | 156.6 | 0 | 0 | 0 | 115.4 | ||
| 621 | R | 53 | Low | 56 | Low | 224 Ų | 224 | 128.6 Ų | 128.6 | 85% | 0.845 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -92.1 | 12 | -169.8 | -72.6 | -171.8 | 177.5 | -173.8 | -0.4 | 116.4 | ||
| 622 | S | 49.9 | Very low | 56.6 | Low | 104 Ų | 104 | 128 Ų | 128 | 73% | 0.727 | 67% | 0.665 | S | S | * | * | trans | -120.7 | 19 | -170.2 | 73.3 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 623 | T | 44 | Very low | 57.8 | Low | 121 Ų | 121 | 124.8 Ų | 124.8 | 74% | 0.742 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -116.1 | 135.8 | 174.2 | 47.5 | 0 | 0 | 0 | 0 | 113.1 | ||
| 624 | H | 49.4 | Very low | 59.1 | Low | 203 Ų | 203 | 123.2 Ų | 123.2 | 94% | 0.94 | 64% | 0.644 | S | S | * | * | trans | -69.9 | 148.6 | -164.5 | -116 | 47.4 | 0 | 0 | 0 | 114.8 | ||||
| 625 | I | 54.6 | Low | 60.1 | Low | 138 Ų | 138 | 122 Ų | 122 | 71% | 0.708 | 64% | 0.641 | S | S | * | * | trans | -122.1 | 138.9 | -163 | -64 | 170 | 0 | 0 | 0 | 111.4 | T629 | I625-T629 HydrophobicContact CG2-CG2 3.99Å; I625-T629 WeakPolarHBondContact CG2-OG1 3.36Å | ||
| 626 | D | 51.8 | Low | 61 | Low | 109 Ų | 109 | 125.3 Ų | 125.3 | 58% | 0.583 | 64% | 0.642 | S | S | * | * | trans | -99.8 | 152.7 | -163.4 | -170.8 | 11.8 | 0 | 0 | 0 | 114 | K628 T629 | D626-K628 VanDerWaalsContact C-N 3.33Å; D626-K628 PolarHBondContact O-N 2.67Å; D626-T629 VanDerWaalsContact O-CB 3.27Å; D626-T629 WeakPolarHBondContact O-CB 3.38Å; D626-T629 PolarHBondContact O-N 3.45Å; D626-T629 PolarHBondContact O-OG1 3.33Å | ||
| 627 | T | 56.3 | Low | 62.2 | Low | 121 Ų | 121 | 125.2 Ų | 125.2 | 74% | 0.742 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.9 | -26.1 | -171.6 | 52.2 | 0 | 0 | 0 | 0 | 115.8 | T629 S630 | T627-T629 PolarHBondContact O-N 2.78Å; T627-S630 WeakPolarHBondContact O-CB 3.5Å; T627-S630 PolarHBondContact O-N 3.22Å; T627-S630 VanDerWaalsContact O-N 3.08Å |
| 628 | K | 54.4 | Low | 63.3 | Low | 170 Ų | 170 | 122.6 Ų | 122.6 | 74% | 0.739 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -64.8 | -24 | 169.8 | -81.5 | -176.3 | 177.8 | 177.5 | 0 | 113.1 | D626 S630 | D626-K628 VanDerWaalsContact C-N 3.33Å; D626-K628 PolarHBondContact O-N 2.67Å; K628-S630 PolarHBondContact O-N 3.21Å |
| 629 | T | 58.8 | Low | 64.5 | Low | 57 Ų | 57 | 120 Ų | 120 | 35% | 0.35 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -69 | -23.5 | 173.3 | 66.6 | 0 | 0 | 0 | 0 | 111.9 | I625 D626 T627 V632 I633 | I625-T629 HydrophobicContact CG2-CG2 3.99Å; I625-T629 WeakPolarHBondContact CG2-OG1 3.36Å; D626-T629 VanDerWaalsContact O-CB 3.27Å; D626-T629 WeakPolarHBondContact O-CB 3.38Å; D626-T629 PolarHBondContact O-N 3.45Å; D626-T629 PolarHBondContact O-OG1 3.33Å; T627-T629 PolarHBondContact O-N 2.78Å; T629-V632 CarbonylContact O-C 3.57Å; T629-V632 PolarHBondContact O-N 2.98Å; T629-I633 WeakPolarHBondContact O-CB 3.49Å; T629-I633 WeakPolarHBondContact O-CD1 3.36Å; T629-I633 WeakPolarHBondContact O-CG1 3.26Å; T629-I633 PolarHBondContact O-N 3.43Å |
| 630 | S | 65.2 | Low | 65.9 | Low | 64 Ų | 64 | 115.6 Ų | 115.6 | 45% | 0.448 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -66.1 | -44.3 | -179.4 | -160.5 | 0 | 0 | 0 | 0 | 113.2 | T627 K628 V632 I633 D634 | T627-S630 WeakPolarHBondContact O-CB 3.5Å; T627-S630 PolarHBondContact O-N 3.22Å; T627-S630 VanDerWaalsContact O-N 3.08Å; K628-S630 PolarHBondContact O-N 3.21Å; S630-V632 VanDerWaalsContact C-N 3.29Å; S630-V632 PolarHBondContact O-N 3.32Å; S630-I633 WeakPolarHBondContact O-CA 3.3Å; S630-I633 WeakPolarHBondContact O-CB 3.23Å; S630-I633 PolarHBondContact O-N 2.94Å; S630-I633 VanDerWaalsContact O-N 3.15Å; S630-D634 VanDerWaalsContact O-CG 3.32Å; S630-D634 PolarHBondContact O-N 2.79Å |
| 631 | S | 68.4 | Low | 67.5 | Low | 77 Ų | 77 | 111.8 Ų | 111.8 | 54% | 0.538 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -66.7 | -33.8 | 175.7 | 159.7 | 0 | 0 | 0 | 0 | 112.2 | I633 D634 V635 | S631-I633 VanDerWaalsContact C-N 3.35Å; S631-D634 PolarHBondContact O-N 3.12Å; S631-V635 WeakPolarHBondContact O-CG2 3.36Å; S631-V635 PolarHBondContact O-N 3.21Å |
| 632 | V | 70 | Confident | 69.1 | Low | 72 Ų | 72 | 103.8 Ų | 103.8 | 44% | 0.436 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -69 | -38.1 | 173.6 | 172.7 | 0 | 0 | 0 | 0 | 110.1 | T629 S630 V635 Y636 | T629-V632 CarbonylContact O-C 3.57Å; T629-V632 PolarHBondContact O-N 2.98Å; S630-V632 VanDerWaalsContact C-N 3.29Å; S630-V632 PolarHBondContact O-N 3.32Å; V632-V635 PolarHBondContact O-N 3.49Å; V632-Y636 HydrophobicContact CG1-CD2 3.48Å; V632-Y636 VanDerWaalsContact CG1-CD2 3.48Å; V632-Y636 HydrophobicContact CG1-CE2 3.31Å; V632-Y636 WeakPolarHBondContact O-CD2 3.46Å; V632-Y636 PolarHBondContact O-N 3.42Å |
| 633 | I | 75.7 | Confident | 70.8 | Confident | 85 Ų | 85 | 102.9 Ų | 102.9 | 44% | 0.436 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -59.1 | -48.1 | 172.7 | -72.4 | 158.9 | 0 | 0 | 0 | 109.6 | T629 S630 S631 V635 Y636 E637 | T629-I633 WeakPolarHBondContact O-CB 3.49Å; T629-I633 WeakPolarHBondContact O-CD1 3.36Å; T629-I633 WeakPolarHBondContact O-CG1 3.26Å; T629-I633 PolarHBondContact O-N 3.43Å; S630-I633 WeakPolarHBondContact O-CA 3.3Å; S630-I633 WeakPolarHBondContact O-CB 3.23Å; S630-I633 PolarHBondContact O-N 2.94Å; S630-I633 VanDerWaalsContact O-N 3.15Å; S631-I633 VanDerWaalsContact C-N 3.35Å; I633-V635 VanDerWaalsContact C-N 3.33Å; I633-V635 PolarHBondContact O-N 3.49Å; I633-Y636 CarbonylContact O-C 3.15Å; I633-Y636 PolarHBondContact O-N 2.81Å; I633-Y636 VanDerWaalsContact O-N 3.11Å; I633-E637 VanDerWaalsContact O-CB 3.27Å; I633-E637 WeakPolarHBondContact O-CB 3.35Å; I633-E637 PolarHBondContact O-N 2.8Å |
| 634 | D | 80.5 | Confident | 73.1 | Confident | 92 Ų | 92 | 103 Ų | 103 | 49% | 0.492 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.4 | -40.8 | -179.8 | -59.1 | -24 | 0 | 0 | 0 | 112.5 | S630 S631 E637 A638 | S630-D634 VanDerWaalsContact O-CG 3.32Å; S630-D634 PolarHBondContact O-N 2.79Å; S631-D634 PolarHBondContact O-N 3.12Å; D634-E637 PolarHBondContact O-N 2.85Å; D634-A638 PolarHBondContact O-N 3.18Å |
| 635 | V | 79.5 | Confident | 75 | Confident | 100 Ų | 100 | 99.6 Ų | 99.6 | 61% | 0.606 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.1 | -42.8 | 175.9 | 173.6 | 0 | 0 | 0 | 0 | 110.9 | S631 V632 I633 E637 K639 | S631-V635 WeakPolarHBondContact O-CG2 3.36Å; S631-V635 PolarHBondContact O-N 3.21Å; V632-V635 PolarHBondContact O-N 3.49Å; I633-V635 VanDerWaalsContact C-N 3.33Å; I633-V635 PolarHBondContact O-N 3.49Å; V635-E637 VanDerWaalsContact C-N 3.3Å; V635-K639 WeakPolarHBondContact O-CB 3.27Å; V635-K639 PolarHBondContact O-N 3.15Å |
| 636 | Y | 81.5 | Confident | 76.7 | Confident | 153 Ų | 153 | 98.1 Ų | 98.1 | 60% | 0.6 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67.2 | -31.7 | 173.8 | -79.7 | -62.2 | 0 | 0 | 0 | 112 | V632 I633 K639 I640 | V632-Y636 HydrophobicContact CG1-CD2 3.48Å; V632-Y636 VanDerWaalsContact CG1-CD2 3.48Å; V632-Y636 HydrophobicContact CG1-CE2 3.31Å; V632-Y636 WeakPolarHBondContact O-CD2 3.46Å; V632-Y636 PolarHBondContact O-N 3.42Å; I633-Y636 CarbonylContact O-C 3.15Å; I633-Y636 PolarHBondContact O-N 2.81Å; I633-Y636 VanDerWaalsContact O-N 3.11Å; Y636-K639 CarbonylContact O-C 3.46Å; Y636-K639 WeakPolarHBondContact O-CB 3.42Å; Y636-K639 PolarHBondContact O-N 3.25Å; Y636-I640 WeakPolarHBondContact O-CB 3.45Å; Y636-I640 WeakPolarHBondContact O-CD1 3.3Å; Y636-I640 WeakPolarHBondContact O-CG1 3.27Å; Y636-I640 PolarHBondContact O-N 3.2Å |
| 637 | E | 84.8 | Confident | 78.5 | Confident | 113 Ų | 113 | 96.4 Ų | 96.4 | 53% | 0.528 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -72.6 | -39.2 | 179.3 | -162.5 | 166.7 | -149.6 | 0 | 0 | 111 | I633 D634 V635 K639 I640 S641 | I633-E637 VanDerWaalsContact O-CB 3.27Å; I633-E637 WeakPolarHBondContact O-CB 3.35Å; I633-E637 PolarHBondContact O-N 2.8Å; D634-E637 PolarHBondContact O-N 2.85Å; V635-E637 VanDerWaalsContact C-N 3.3Å; E637-K639 VanDerWaalsContact C-N 3.35Å; E637-I640 PolarHBondContact O-N 3.43Å; E637-S641 WeakPolarHBondContact O-CB 3.44Å; E637-S641 PolarHBondContact O-N 3.09Å; E637-S641 PolarHBondContact O-OG 2.99Å |
| 638 | A | 82.5 | Confident | 80 | Confident | 63 Ų | 63 | 93 Ų | 93 | 52% | 0.521 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.4 | -40.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | D634 S641 A642 | D634-A638 PolarHBondContact O-N 3.18Å; A638-S641 PolarHBondContact O-N 3.28Å; A638-A642 WeakPolarHBondContact O-CB 3.24Å; A638-A642 PolarHBondContact O-N 3.01Å |
| 639 | K | 87.3 | Confident | 81.7 | Confident | 132 Ų | 132 | 89.7 Ų | 89.7 | 57% | 0.574 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65 | -42.6 | 174.9 | -169.8 | 80.5 | 176.7 | -176.1 | 0 | 111.7 | V635 Y636 E637 S641 A642 L643 | V635-K639 WeakPolarHBondContact O-CB 3.27Å; V635-K639 PolarHBondContact O-N 3.15Å; Y636-K639 CarbonylContact O-C 3.46Å; Y636-K639 WeakPolarHBondContact O-CB 3.42Å; Y636-K639 PolarHBondContact O-N 3.25Å; E637-K639 VanDerWaalsContact C-N 3.35Å; K639-S641 VanDerWaalsContact C-N 3.32Å; K639-A642 PolarHBondContact O-N 3.11Å; K639-L643 HydrophobicContact CG-CD1 4.23Å; K639-L643 WeakPolarHBondContact O-CB 3.41Å; K639-L643 VanDerWaalsContact O-CG 3.27Å; K639-L643 WeakPolarHBondContact O-CG 3.5Å; K639-L643 PolarHBondContact O-N 2.83Å |
| 640 | I | 83.6 | Confident | 83.1 | Confident | 86 Ų | 86 | 91.7 Ų | 91.7 | 44% | 0.441 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.7 | -44 | 175.2 | -74.2 | 162.2 | 0 | 0 | 0 | 109.2 | Y636 E637 A642 L643 Q644 | Y636-I640 WeakPolarHBondContact O-CB 3.45Å; Y636-I640 WeakPolarHBondContact O-CD1 3.3Å; Y636-I640 WeakPolarHBondContact O-CG1 3.27Å; Y636-I640 PolarHBondContact O-N 3.2Å; E637-I640 PolarHBondContact O-N 3.43Å; I640-A642 PolarHBondContact O-N 3.3Å; I640-L643 CarbonylContact O-C 3.56Å; I640-L643 PolarHBondContact O-N 3.24Å; I640-Q644 HydrophobicContact CG2-CG 4.18Å; I640-Q644 VanDerWaalsContact O-CB 3.31Å; I640-Q644 WeakPolarHBondContact O-CB 3.4Å; I640-Q644 WeakPolarHBondContact O-CG 3.45Å; I640-Q644 PolarHBondContact O-N 2.81Å |
| 641 | S | 86.6 | Confident | 84.3 | Confident | 63 Ų | 63 | 93.3 Ų | 93.3 | 44% | 0.441 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.9 | -41.5 | 178.1 | -58.4 | 0 | 0 | 0 | 0 | 111.9 | E637 A638 K639 Q644 F645 | E637-S641 WeakPolarHBondContact O-CB 3.44Å; E637-S641 PolarHBondContact O-N 3.09Å; E637-S641 PolarHBondContact O-OG 2.99Å; A638-S641 PolarHBondContact O-N 3.28Å; K639-S641 VanDerWaalsContact C-N 3.32Å; S641-Q644 PolarHBondContact O-N 2.87Å; S641-F645 PolarHBondContact O-N 3.37Å |
| 642 | A | 86.9 | Confident | 85.4 | Confident | 57 Ų | 57 | 93.7 Ų | 93.7 | 47% | 0.471 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.7 | -42.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | A638 K639 I640 F645 E646 | A638-A642 WeakPolarHBondContact O-CB 3.24Å; A638-A642 PolarHBondContact O-N 3.01Å; K639-A642 PolarHBondContact O-N 3.11Å; I640-A642 PolarHBondContact O-N 3.3Å; A642-F645 WeakPolarHBondContact O-CB 3.49Å; A642-F645 PolarHBondContact O-N 3.22Å; A642-E646 PolarHBondContact O-N 2.99Å |
| 643 | L | 86.2 | Confident | 86.3 | Confident | 84 Ų | 84 | 96.1 Ų | 96.1 | 44% | 0.44 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.6 | -37 | 174.8 | -73.3 | 171.1 | 0 | 0 | 0 | 111.9 | K639 I640 F645 E646 V647 | K639-L643 HydrophobicContact CG-CD1 4.23Å; K639-L643 WeakPolarHBondContact O-CB 3.41Å; K639-L643 VanDerWaalsContact O-CG 3.27Å; K639-L643 WeakPolarHBondContact O-CG 3.5Å; K639-L643 PolarHBondContact O-N 2.83Å; I640-L643 CarbonylContact O-C 3.56Å; I640-L643 PolarHBondContact O-N 3.24Å; L643-F645 VanDerWaalsContact C-N 3.32Å; L643-E646 PolarHBondContact O-N 3.18Å; L643-V647 WeakPolarHBondContact O-CB 3.28Å; L643-V647 WeakPolarHBondContact O-CG2 3.46Å; L643-V647 PolarHBondContact O-N 2.8Å |
| 644 | Q | 91.2 | Very high | 86.8 | Confident | 123 Ų | 123 | 97.1 Ų | 97.1 | 58% | 0.575 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.1 | -37.9 | 174.6 | -78.9 | 173.7 | -12 | 0 | 0 | 111.1 | I640 S641 A648 | I640-Q644 HydrophobicContact CG2-CG 4.18Å; I640-Q644 VanDerWaalsContact O-CB 3.31Å; I640-Q644 WeakPolarHBondContact O-CB 3.4Å; I640-Q644 WeakPolarHBondContact O-CG 3.45Å; I640-Q644 PolarHBondContact O-N 2.81Å; S641-Q644 PolarHBondContact O-N 2.87Å; Q644-A648 VanDerWaalsContact O-CB 3.31Å; Q644-A648 WeakPolarHBondContact O-CB 3.36Å; Q644-A648 PolarHBondContact O-N 3.43Å |
| 645 | F | 89.3 | Confident | 87.2 | Confident | 133 Ų | 133 | 99 Ų | 99 | 58% | 0.583 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66 | -42.3 | 173 | -178 | -97.4 | 0 | 0 | 0 | 112 | S641 A642 L643 A648 Q649 | S641-F645 PolarHBondContact O-N 3.37Å; A642-F645 WeakPolarHBondContact O-CB 3.49Å; A642-F645 PolarHBondContact O-N 3.22Å; L643-F645 VanDerWaalsContact C-N 3.32Å; F645-A648 PolarHBondContact O-N 2.75Å; F645-Q649 HydrophobicContact CE1-CG 4.12Å; F645-Q649 HydrophobicContact CZ-CG 4.32Å; F645-Q649 PolarHBondContact O-N 3.26Å |
| 646 | E | 90.6 | Very high | 87.8 | Confident | 107 Ų | 107 | 98.8 Ų | 98.8 | 50% | 0.5 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.6 | -41.9 | 176.1 | -167.7 | 174.2 | -170 | 0 | 0 | 111.8 | A642 L643 Q649 L650 | A642-E646 PolarHBondContact O-N 2.99Å; L643-E646 PolarHBondContact O-N 3.18Å; E646-Q649 PolarHBondContact O-N 3.07Å; E646-L650 HydrophobicContact CG-CD1 4.4Å; E646-L650 WeakPolarHBondContact O-CB 3.24Å; E646-L650 WeakPolarHBondContact O-CG 3.21Å; E646-L650 PolarHBondContact O-N 2.89Å |
| 647 | V | 89.3 | Confident | 88.1 | Confident | 73 Ų | 73 | 99.5 Ų | 99.5 | 44% | 0.442 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.8 | -45.3 | 172.2 | 168.5 | 0 | 0 | 0 | 0 | 110.4 | L643 Q649 L650 E651 | L643-V647 WeakPolarHBondContact O-CB 3.28Å; L643-V647 WeakPolarHBondContact O-CG2 3.46Å; L643-V647 PolarHBondContact O-N 2.8Å; V647-Q649 VanDerWaalsContact C-N 3.33Å; V647-Q649 PolarHBondContact O-N 3.38Å; V647-L650 PolarHBondContact O-N 3.33Å; V647-E651 HydrophobicContact CG1-CG 4.25Å; V647-E651 WeakPolarHBondContact O-CB 3.47Å; V647-E651 VanDerWaalsContact O-CG 3.29Å; V647-E651 WeakPolarHBondContact O-CG 3.49Å; V647-E651 PolarHBondContact O-N 3.39Å |
| 648 | A | 88.1 | Confident | 88.3 | Confident | 48 Ų | 48 | 97.6 Ų | 97.6 | 40% | 0.397 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.9 | -37.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q644 F645 E652 | Q644-A648 VanDerWaalsContact O-CB 3.31Å; Q644-A648 WeakPolarHBondContact O-CB 3.36Å; Q644-A648 PolarHBondContact O-N 3.43Å; F645-A648 PolarHBondContact O-N 2.75Å; A648-E652 PolarHBondContact O-N 2.86Å |
| 649 | Q | 90.9 | Very high | 88.6 | Confident | 101 Ų | 101 | 98.9 Ų | 98.9 | 47% | 0.472 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.4 | -44.1 | 172.5 | -81.8 | -163.1 | -10 | 0 | 0 | 112.4 | F645 E646 V647 E651 E652 Q653 | F645-Q649 HydrophobicContact CE1-CG 4.12Å; F645-Q649 HydrophobicContact CZ-CG 4.32Å; F645-Q649 PolarHBondContact O-N 3.26Å; E646-Q649 PolarHBondContact O-N 3.07Å; V647-Q649 VanDerWaalsContact C-N 3.33Å; V647-Q649 PolarHBondContact O-N 3.38Å; Q649-E651 VanDerWaalsContact C-N 3.34Å; Q649-E652 PolarHBondContact O-N 2.94Å; Q649-Q653 WeakPolarHBondContact O-CG 3.27Å; Q649-Q653 PolarHBondContact O-N 3.34Å |
| 650 | L | 87.3 | Confident | 88.7 | Confident | 99 Ų | 99 | 95.6 Ų | 95.6 | 52% | 0.518 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.9 | -38.7 | 177.3 | -76.4 | 171.1 | 0 | 0 | 0 | 111.5 | E646 V647 E652 Q653 L654 | E646-L650 HydrophobicContact CG-CD1 4.4Å; E646-L650 WeakPolarHBondContact O-CB 3.24Å; E646-L650 WeakPolarHBondContact O-CG 3.21Å; E646-L650 PolarHBondContact O-N 2.89Å; V647-L650 PolarHBondContact O-N 3.33Å; L650-E652 VanDerWaalsContact C-N 3.33Å; L650-E652 PolarHBondContact O-N 2.88Å; L650-Q653 PolarHBondContact O-N 3.47Å; L650-L654 WeakPolarHBondContact O-CB 3.21Å; L650-L654 PolarHBondContact O-N 2.88Å |
| 651 | E | 90.7 | Very high | 88.9 | Confident | 99 Ų | 99 | 95.7 Ų | 95.7 | 46% | 0.463 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.8 | -39.5 | 173.6 | -77 | 180 | 174.7 | 0 | 0 | 111.7 | V647 Q649 L654 R655 | V647-E651 HydrophobicContact CG1-CG 4.25Å; V647-E651 WeakPolarHBondContact O-CB 3.47Å; V647-E651 VanDerWaalsContact O-CG 3.29Å; V647-E651 WeakPolarHBondContact O-CG 3.49Å; V647-E651 PolarHBondContact O-N 3.39Å; Q649-E651 VanDerWaalsContact C-N 3.34Å; E651-L654 PolarHBondContact O-N 2.68Å; E651-R655 WeakPolarHBondContact O-CG 3.44Å; E651-R655 PolarHBondContact O-N 3.1Å |
| 652 | E | 90.8 | Very high | 88.8 | Confident | 85 Ų | 85 | 99.2 Ų | 99.2 | 40% | 0.397 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.3 | -44.8 | 175.2 | -175.2 | 58.3 | -159.2 | 0 | 0 | 112 | A648 Q649 L650 L654 R655 I656 | A648-E652 PolarHBondContact O-N 2.86Å; Q649-E652 PolarHBondContact O-N 2.94Å; L650-E652 VanDerWaalsContact C-N 3.33Å; L650-E652 PolarHBondContact O-N 2.88Å; E652-L654 VanDerWaalsContact C-N 3.28Å; E652-L654 PolarHBondContact O-N 3.31Å; E652-R655 WeakPolarHBondContact O-CB 3.27Å; E652-R655 PolarHBondContact O-N 3.43Å; E652-R655 IonicContact OE2-CZ 3.28Å; E652-R655 IonicContact OE2-NE 2.76Å; E652-R655 PolarHBondContact OE2-NE 3.3Å; E652-R655 IonicContact OE2-NH2 3.04Å; E652-R655 PolarHBondContact OE2-NH2 3.34Å; E652-I656 HydrophobicContact CG-CD1 4.28Å; E652-I656 WeakPolarHBondContact O-CG1 3.41Å; E652-I656 PolarHBondContact O-N 2.84Å |
| 653 | Q | 89.2 | Confident | 89 | Confident | 122 Ų | 122 | 102.3 Ų | 102.3 | 57% | 0.57 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -60.5 | -39.7 | 173.5 | -73.5 | -174 | 1.5 | 0 | 0 | 111.7 | Q649 L650 I656 R657 | Q649-Q653 WeakPolarHBondContact O-CG 3.27Å; Q649-Q653 PolarHBondContact O-N 3.34Å; L650-Q653 PolarHBondContact O-N 3.47Å; Q653-I656 PolarHBondContact O-N 2.93Å; Q653-R657 VanDerWaalsContact O-CB 3.3Å; Q653-R657 WeakPolarHBondContact O-CB 3.4Å; Q653-R657 PolarHBondContact O-N 3.22Å |
| 654 | L | 86.3 | Confident | 88.9 | Confident | 106 Ų | 106 | 101.8 Ų | 101.8 | 56% | 0.555 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.8 | -42.8 | 175.9 | -172.1 | 69.7 | 0 | 0 | 0 | 110.9 | L650 E651 E652 R657 I658 | L650-L654 WeakPolarHBondContact O-CB 3.21Å; L650-L654 PolarHBondContact O-N 2.88Å; E651-L654 PolarHBondContact O-N 2.68Å; E652-L654 VanDerWaalsContact C-N 3.28Å; E652-L654 PolarHBondContact O-N 3.31Å; L654-R657 PolarHBondContact O-N 3.44Å; L654-I658 HydrophobicContact CD1-CD1 4.47Å; L654-I658 HydrophobicContact CD2-CD1 4.47Å; L654-I658 HydrophobicContact CG-CD1 3.92Å; L654-I658 HydrophobicContact CG-CG1 4.49Å; L654-I658 WeakPolarHBondContact O-CB 2.98Å; L654-I658 WeakPolarHBondContact O-CG1 3.27Å; L654-I658 PolarHBondContact O-N 2.75Å |
| 655 | R | 89.1 | Confident | 88.7 | Confident | 132 Ų | 132 | 100.4 Ų | 100.4 | 50% | 0.498 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58.6 | -47.7 | 173.9 | -80.8 | -169.6 | -70.2 | -96.4 | 3 | 111.8 | E651 E652 R657 I658 E659 | E651-R655 WeakPolarHBondContact O-CG 3.44Å; E651-R655 PolarHBondContact O-N 3.1Å; E652-R655 WeakPolarHBondContact O-CB 3.27Å; E652-R655 PolarHBondContact O-N 3.43Å; E652-R655 IonicContact OE2-CZ 3.28Å; E652-R655 IonicContact OE2-NE 2.76Å; E652-R655 PolarHBondContact OE2-NE 3.3Å; E652-R655 IonicContact OE2-NH2 3.04Å; E652-R655 PolarHBondContact OE2-NH2 3.34Å; R655-R657 VanDerWaalsContact C-N 3.34Å; R655-R657 PolarHBondContact O-N 3.27Å; R655-I658 PolarHBondContact O-N 2.79Å; R655-E659 WeakPolarHBondContact O-CB 3.29Å; R655-E659 PolarHBondContact O-N 3.09Å |
| 656 | I | 90.9 | Very high | 88.6 | Confident | 96 Ų | 96 | 100.1 Ų | 100.1 | 49% | 0.492 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 177.3 | -64.6 | 167.5 | 0 | 0 | 0 | 110.9 | E652 Q653 E659 T660 | E652-I656 HydrophobicContact CG-CD1 4.28Å; E652-I656 WeakPolarHBondContact O-CG1 3.41Å; E652-I656 PolarHBondContact O-N 2.84Å; Q653-I656 PolarHBondContact O-N 2.93Å; I656-E659 PolarHBondContact O-N 3.46Å; I656-T660 HydrophobicContact CG2-CG2 4.48Å; I656-T660 WeakPolarHBondContact O-CB 3.1Å; I656-T660 WeakPolarHBondContact O-CG2 3.48Å; I656-T660 PolarHBondContact O-N 2.84Å; I656-T660 PolarHBondContact O-OG1 2.93Å |
| 657 | R | 88.8 | Confident | 88.4 | Confident | 168 Ų | 168 | 100.8 Ų | 100.8 | 63% | 0.634 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.6 | -40.3 | 177.6 | -166.6 | 70 | 176 | 164.2 | 1.6 | 111.9 | Q653 L654 R655 T660 M661 | Q653-R657 VanDerWaalsContact O-CB 3.3Å; Q653-R657 WeakPolarHBondContact O-CB 3.4Å; Q653-R657 PolarHBondContact O-N 3.22Å; L654-R657 PolarHBondContact O-N 3.44Å; R655-R657 VanDerWaalsContact C-N 3.34Å; R655-R657 PolarHBondContact O-N 3.27Å; R657-T660 VanDerWaalsContact CA-OG1 3.29Å; R657-T660 WeakPolarHBondContact CA-OG1 3.29Å; R657-T660 PolarHBondContact O-OG1 3.49Å; R657-M661 VanDerWaalsContact O-CB 3.26Å; R657-M661 WeakPolarHBondContact O-CB 3.38Å; R657-M661 PolarHBondContact O-N 3.14Å |
| 658 | I | 88.2 | Confident | 88.1 | Confident | 73 Ų | 73 | 103.7 Ų | 103.7 | 37% | 0.374 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.4 | -43.4 | 174.6 | -71.3 | 166 | 0 | 0 | 0 | 110.2 | L654 R655 M661 R662 | L654-I658 HydrophobicContact CD1-CD1 4.47Å; L654-I658 HydrophobicContact CD2-CD1 4.47Å; L654-I658 HydrophobicContact CG-CD1 3.92Å; L654-I658 HydrophobicContact CG-CG1 4.49Å; L654-I658 WeakPolarHBondContact O-CB 2.98Å; L654-I658 WeakPolarHBondContact O-CG1 3.27Å; L654-I658 PolarHBondContact O-N 2.75Å; R655-I658 PolarHBondContact O-N 2.79Å; I658-M661 PolarHBondContact O-N 3.17Å; I658-R662 WeakPolarHBondContact O-CG 3.27Å; I658-R662 PolarHBondContact O-N 3.32Å |
| 659 | E | 89 | Confident | 87.9 | Confident | 90 Ų | 90 | 103.6 Ų | 103.6 | 42% | 0.421 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.6 | -39.6 | -179.4 | -165.8 | 61 | -159 | 0 | 0 | 112.3 | R655 I656 R662 K663 | R655-E659 WeakPolarHBondContact O-CB 3.29Å; R655-E659 PolarHBondContact O-N 3.09Å; I656-E659 PolarHBondContact O-N 3.46Å; E659-R662 PolarHBondContact O-N 3.07Å; E659-R662 IonicContact OE2-NH1 2.88Å; E659-R662 PolarHBondContact OE2-NH1 3.29Å; E659-K663 WeakPolarHBondContact O-CG 3.11Å; E659-K663 PolarHBondContact O-N 2.57Å; E659-K663 VanDerWaalsContact O-N 3.07Å |
| 660 | T | 89 | Confident | 87.7 | Confident | 62 Ų | 62 | 102.9 Ų | 102.9 | 38% | 0.38 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65 | -41.1 | 172.1 | 47.4 | 0 | 0 | 0 | 0 | 111.7 | I656 R657 K663 T664 | I656-T660 HydrophobicContact CG2-CG2 4.48Å; I656-T660 WeakPolarHBondContact O-CB 3.1Å; I656-T660 WeakPolarHBondContact O-CG2 3.48Å; I656-T660 PolarHBondContact O-N 2.84Å; I656-T660 PolarHBondContact O-OG1 2.93Å; R657-T660 VanDerWaalsContact CA-OG1 3.29Å; R657-T660 WeakPolarHBondContact CA-OG1 3.29Å; R657-T660 PolarHBondContact O-OG1 3.49Å; T660-K663 PolarHBondContact O-N 3.32Å; T660-T664 PolarHBondContact O-N 3.27Å; T660-T664 PolarHBondContact O-OG1 3.23Å |
| 661 | M | 87.7 | Confident | 87.7 | Confident | 88 Ų | 88 | 104.5 Ų | 104.5 | 43% | 0.433 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.9 | -43.5 | 174 | -168 | 67.2 | 69.8 | 0 | 0 | 111.7 | R657 I658 K663 T664 D665 | R657-M661 VanDerWaalsContact O-CB 3.26Å; R657-M661 WeakPolarHBondContact O-CB 3.38Å; R657-M661 PolarHBondContact O-N 3.14Å; I658-M661 PolarHBondContact O-N 3.17Å; M661-K663 VanDerWaalsContact C-N 3.32Å; M661-K663 PolarHBondContact O-N 3.33Å; M661-T664 VanDerWaalsContact CA-OG1 3.27Å; M661-T664 WeakPolarHBondContact CA-OG1 3.43Å; M661-T664 PolarHBondContact O-N 2.84Å; M661-T664 PolarHBondContact O-OG1 2.88Å; M661-D665 WeakPolarHBondContact O-CB 3.12Å; M661-D665 PolarHBondContact O-N 3.33Å |
| 662 | R | 86.2 | Confident | 87.5 | Confident | 138 Ų | 138 | 103.6 Ų | 103.6 | 52% | 0.521 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.7 | -40 | 175.8 | -77.2 | 175.1 | 179.1 | 155.1 | -1 | 112.5 | I658 E659 D665 Q666 | I658-R662 WeakPolarHBondContact O-CG 3.27Å; I658-R662 PolarHBondContact O-N 3.32Å; E659-R662 PolarHBondContact O-N 3.07Å; E659-R662 IonicContact OE2-NH1 2.88Å; E659-R662 PolarHBondContact OE2-NH1 3.29Å; R662-D665 PolarHBondContact O-N 3.33Å; R662-Q666 WeakPolarHBondContact O-CB 2.99Å; R662-Q666 VanDerWaalsContact O-CG 3.24Å; R662-Q666 WeakPolarHBondContact O-CG 2.96Å; R662-Q666 PolarHBondContact O-N 3.29Å |
| 663 | K | 89.6 | Confident | 87.2 | Confident | 121 Ų | 121 | 107.2 Ų | 107.2 | 53% | 0.526 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.9 | -40.7 | 175.4 | -72.2 | 178 | -178 | 179.6 | 0 | 111.8 | E659 T660 M661 Q666 L667 | E659-K663 WeakPolarHBondContact O-CG 3.11Å; E659-K663 PolarHBondContact O-N 2.57Å; E659-K663 VanDerWaalsContact O-N 3.07Å; T660-K663 PolarHBondContact O-N 3.32Å; M661-K663 VanDerWaalsContact C-N 3.32Å; M661-K663 PolarHBondContact O-N 3.33Å; K663-Q666 PolarHBondContact O-N 3.48Å; K663-L667 WeakPolarHBondContact O-CG 3.35Å; K663-L667 PolarHBondContact O-N 3.07Å |
| 664 | T | 85.6 | Confident | 87.1 | Confident | 74 Ų | 74 | 107.4 Ų | 107.4 | 45% | 0.454 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.6 | -40.3 | 174.6 | 46.4 | 0 | 0 | 0 | 0 | 111.9 | T660 M661 Q666 L667 F668 | T660-T664 PolarHBondContact O-N 3.27Å; T660-T664 PolarHBondContact O-OG1 3.23Å; M661-T664 VanDerWaalsContact CA-OG1 3.27Å; M661-T664 WeakPolarHBondContact CA-OG1 3.43Å; M661-T664 PolarHBondContact O-N 2.84Å; M661-T664 PolarHBondContact O-OG1 2.88Å; T664-Q666 VanDerWaalsContact C-N 3.34Å; T664-Q666 PolarHBondContact O-N 3.41Å; T664-L667 PolarHBondContact O-N 3.12Å; T664-F668 WeakPolarHBondContact O-CB 2.9Å; T664-F668 PolarHBondContact O-N 3.12Å |
| 665 | D | 85.4 | Confident | 87.1 | Confident | 93 Ų | 93 | 104.7 Ų | 104.7 | 50% | 0.497 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.8 | -39.3 | 176.7 | -69.1 | -18.3 | 0 | 0 | 0 | 111.3 | M661 R662 F668 A669 | M661-D665 WeakPolarHBondContact O-CB 3.12Å; M661-D665 PolarHBondContact O-N 3.33Å; R662-D665 PolarHBondContact O-N 3.33Å; D665-F668 PolarHBondContact O-N 3.18Å; D665-A669 VanDerWaalsContact O-CB 3.27Å; D665-A669 WeakPolarHBondContact O-CB 3.44Å; D665-A669 PolarHBondContact O-N 3.04Å |
| 666 | Q | 87.9 | Confident | 87 | Confident | 127 Ų | 127 | 103.8 Ų | 103.8 | 59% | 0.593 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.3 | -43.7 | 173.5 | -77 | 173.8 | 2.4 | 0 | 0 | 112.2 | R662 K663 T664 F668 A669 N670 | R662-Q666 WeakPolarHBondContact O-CB 2.99Å; R662-Q666 VanDerWaalsContact O-CG 3.24Å; R662-Q666 WeakPolarHBondContact O-CG 2.96Å; R662-Q666 PolarHBondContact O-N 3.29Å; K663-Q666 PolarHBondContact O-N 3.48Å; T664-Q666 VanDerWaalsContact C-N 3.34Å; T664-Q666 PolarHBondContact O-N 3.41Å; Q666-F668 VanDerWaalsContact C-N 3.35Å; Q666-A669 PolarHBondContact O-N 3.15Å; Q666-N670 WeakPolarHBondContact O-CB 3.42Å; Q666-N670 PolarHBondContact O-N 3.38Å; Q666-N670 PolarHBondContact O-ND2 3.45Å |
| 667 | L | 85.7 | Confident | 86.9 | Confident | 121 Ų | 121 | 105.1 Ų | 105.1 | 63% | 0.634 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.4 | -41.9 | 175.1 | -75.2 | 171.1 | 0 | 0 | 0 | 111.6 | K663 T664 N670 F671 | K663-L667 WeakPolarHBondContact O-CG 3.35Å; K663-L667 PolarHBondContact O-N 3.07Å; T664-L667 PolarHBondContact O-N 3.12Å; L667-N670 PolarHBondContact O-N 3.23Å; L667-F671 PolarHBondContact O-N 3.46Å |
| 668 | F | 84.2 | Confident | 86.8 | Confident | 135 Ų | 135 | 100 Ų | 100 | 59% | 0.592 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66.1 | -41.7 | 177.9 | -157.1 | -97.7 | 0 | 0 | 0 | 111.7 | T664 D665 Q666 N670 F671 L672 | T664-F668 WeakPolarHBondContact O-CB 2.9Å; T664-F668 PolarHBondContact O-N 3.12Å; D665-F668 PolarHBondContact O-N 3.18Å; Q666-F668 VanDerWaalsContact C-N 3.35Å; F668-N670 VanDerWaalsContact C-N 3.33Å; F668-N670 PolarHBondContact O-N 3.11Å; F668-F671 PolarHBondContact O-N 2.99Å; F668-L672 HydrophobicContact CD1-CD1 3.49Å; F668-L672 VanDerWaalsContact CD1-CD1 3.49Å; F668-L672 HydrophobicContact CD1-CG 4.16Å; F668-L672 HydrophobicContact CE1-CD1 3.6Å; F668-L672 HydrophobicContact CE1-CG 4.11Å; F668-L672 WeakPolarHBondContact O-CB 3.27Å; F668-L672 WeakPolarHBondContact O-CG 3.42Å; F668-L672 PolarHBondContact O-N 3.5Å |
| 669 | A | 83.1 | Confident | 86.8 | Confident | 46 Ų | 46 | 102.4 Ų | 102.4 | 38% | 0.38 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.5 | -38.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | D665 Q666 R673 | D665-A669 VanDerWaalsContact O-CB 3.27Å; D665-A669 WeakPolarHBondContact O-CB 3.44Å; D665-A669 PolarHBondContact O-N 3.04Å; Q666-A669 PolarHBondContact O-N 3.15Å; A669-R673 WeakPolarHBondContact O-CB 3.41Å; A669-R673 WeakPolarHBondContact O-CG 3.49Å; A669-R673 PolarHBondContact O-N 2.7Å |
| 670 | N | 86.7 | Confident | 86.8 | Confident | 85 Ų | 85 | 105 Ų | 105 | 46% | 0.455 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.7 | -42.9 | 174.6 | -71.6 | -17 | 0 | 0 | 0 | 111.9 | Q666 L667 F668 R673 Q674 | Q666-N670 WeakPolarHBondContact O-CB 3.42Å; Q666-N670 PolarHBondContact O-N 3.38Å; Q666-N670 PolarHBondContact O-ND2 3.45Å; L667-N670 PolarHBondContact O-N 3.23Å; F668-N670 VanDerWaalsContact C-N 3.33Å; F668-N670 PolarHBondContact O-N 3.11Å; N670-R673 PolarHBondContact O-N 3.09Å; N670-Q674 WeakPolarHBondContact O-CG 3.35Å; N670-Q674 PolarHBondContact O-N 2.93Å |
| 671 | F | 87.1 | Confident | 86.8 | Confident | 133 Ų | 133 | 106.7 Ų | 106.7 | 58% | 0.583 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.9 | -43.5 | 175.3 | -179 | -96.5 | 0 | 0 | 0 | 111.8 | L667 F668 R673 Q674 S675 | L667-F671 PolarHBondContact O-N 3.46Å; F668-F671 PolarHBondContact O-N 2.99Å; F671-R673 PolarHBondContact O-N 3.28Å; F671-Q674 PolarHBondContact O-N 3.25Å; F671-S675 WeakPolarHBondContact O-CB 3.47Å; F671-S675 PolarHBondContact O-N 3.27Å |
| 672 | L | 86.3 | Confident | 86.8 | Confident | 81 Ų | 81 | 107.1 Ų | 107.1 | 42% | 0.424 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.5 | -43.9 | 174.1 | -81.7 | 162.4 | 0 | 0 | 0 | 111.7 | F668 S675 Q676 | F668-L672 HydrophobicContact CD1-CD1 3.49Å; F668-L672 VanDerWaalsContact CD1-CD1 3.49Å; F668-L672 HydrophobicContact CD1-CG 4.16Å; F668-L672 HydrophobicContact CE1-CD1 3.6Å; F668-L672 HydrophobicContact CE1-CG 4.11Å; F668-L672 WeakPolarHBondContact O-CB 3.27Å; F668-L672 WeakPolarHBondContact O-CG 3.42Å; F668-L672 PolarHBondContact O-N 3.5Å; L672-S675 PolarHBondContact O-N 2.86Å; L672-Q676 WeakPolarHBondContact O-CB 3.39Å; L672-Q676 VanDerWaalsContact O-CG 3.27Å; L672-Q676 WeakPolarHBondContact O-CG 3.29Å; L672-Q676 PolarHBondContact O-N 3.12Å |
| 673 | R | 84.5 | Confident | 87 | Confident | 161 Ų | 161 | 106.5 Ų | 106.5 | 61% | 0.608 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.8 | -47.1 | 175.8 | -83.1 | -176.9 | 169.4 | 178.7 | -3.2 | 112.1 | A669 N670 F671 S675 Q676 E677 | A669-R673 WeakPolarHBondContact O-CB 3.41Å; A669-R673 WeakPolarHBondContact O-CG 3.49Å; A669-R673 PolarHBondContact O-N 2.7Å; N670-R673 PolarHBondContact O-N 3.09Å; F671-R673 PolarHBondContact O-N 3.28Å; R673-S675 VanDerWaalsContact C-N 3.31Å; R673-S675 PolarHBondContact O-N 3.23Å; R673-Q676 CarbonylContact O-C 3.13Å; R673-Q676 PolarHBondContact O-N 3.47Å; R673-Q676 VanDerWaalsContact O-N 3.16Å; R673-E677 WeakPolarHBondContact O-CB 3.29Å; R673-E677 WeakPolarHBondContact O-CG 3.5Å; R673-E677 PolarHBondContact O-N 3.21Å |
| 674 | Q | 88.5 | Confident | 87.1 | Confident | 126 Ų | 126 | 106.2 Ų | 106.2 | 59% | 0.589 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.6 | -40.2 | 176.4 | -75.9 | 179.9 | -7.4 | 0 | 0 | 111.9 | N670 F671 E677 A678 | N670-Q674 WeakPolarHBondContact O-CG 3.35Å; N670-Q674 PolarHBondContact O-N 2.93Å; F671-Q674 PolarHBondContact O-N 3.25Å; Q674-E677 PolarHBondContact O-N 3.41Å; Q674-A678 VanDerWaalsContact O-CB 3.26Å; Q674-A678 WeakPolarHBondContact O-CB 3.48Å; Q674-A678 PolarHBondContact O-N 3.2Å |
| 675 | S | 84.8 | Confident | 87.5 | Confident | 49 Ų | 49 | 106.2 Ų | 106.2 | 34% | 0.343 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65 | -39.4 | 175 | -174.4 | 0 | 0 | 0 | 0 | 111.9 | F671 L672 R673 K679 | F671-S675 WeakPolarHBondContact O-CB 3.47Å; F671-S675 PolarHBondContact O-N 3.27Å; L672-S675 PolarHBondContact O-N 2.86Å; R673-S675 VanDerWaalsContact C-N 3.31Å; R673-S675 PolarHBondContact O-N 3.23Å; S675-K679 WeakPolarHBondContact O-CB 3.19Å; S675-K679 VanDerWaalsContact O-CG 3.3Å; S675-K679 WeakPolarHBondContact O-CG 3.42Å; S675-K679 PolarHBondContact O-N 3.43Å |
| 676 | Q | 88 | Confident | 87.8 | Confident | 113 Ų | 113 | 107.9 Ų | 107.9 | 53% | 0.528 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.5 | -39.9 | 174.8 | -74.6 | 175.5 | 0.7 | 0 | 0 | 112.5 | L672 R673 K679 K680 | L672-Q676 WeakPolarHBondContact O-CB 3.39Å; L672-Q676 VanDerWaalsContact O-CG 3.27Å; L672-Q676 WeakPolarHBondContact O-CG 3.29Å; L672-Q676 PolarHBondContact O-N 3.12Å; R673-Q676 CarbonylContact O-C 3.13Å; R673-Q676 PolarHBondContact O-N 3.47Å; R673-Q676 VanDerWaalsContact O-N 3.16Å; Q676-K679 PolarHBondContact O-N 3.35Å; Q676-K680 WeakPolarHBondContact O-CG 3.49Å; Q676-K680 PolarHBondContact O-N 3.1Å |
| 677 | E | 88.9 | Confident | 88 | Confident | 123 Ų | 123 | 103.6 Ų | 103.6 | 58% | 0.575 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.4 | -44.3 | 175.1 | -76.4 | 170.4 | -175.5 | 0 | 0 | 111.3 | R673 Q674 K679 K680 E681 | R673-E677 WeakPolarHBondContact O-CB 3.29Å; R673-E677 WeakPolarHBondContact O-CG 3.5Å; R673-E677 PolarHBondContact O-N 3.21Å; Q674-E677 PolarHBondContact O-N 3.41Å; E677-K679 VanDerWaalsContact C-N 3.33Å; E677-K679 PolarHBondContact O-N 2.9Å; E677-K680 PolarHBondContact O-N 3.31Å; E677-E681 PolarHBondContact O-N 3.17Å |
| 678 | A | 86.4 | Confident | 88.4 | Confident | 61 Ų | 61 | 102.4 Ų | 102.4 | 50% | 0.504 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.1 | -41.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | Q674 E681 E682 | Q674-A678 VanDerWaalsContact O-CB 3.26Å; Q674-A678 WeakPolarHBondContact O-CB 3.48Å; Q674-A678 PolarHBondContact O-N 3.2Å; A678-E681 PolarHBondContact O-N 2.94Å; A678-E682 WeakPolarHBondContact O-CB 3.44Å; A678-E682 PolarHBondContact O-N 3.31Å |
| 679 | K | 87.8 | Confident | 88.8 | Confident | 124 Ų | 124 | 100.8 Ų | 100.8 | 54% | 0.539 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.8 | -42.3 | 174.4 | -77.7 | 179.7 | -179.8 | -173.4 | 0 | 112.5 | S675 Q676 E677 E681 E682 E683 | S675-K679 WeakPolarHBondContact O-CB 3.19Å; S675-K679 VanDerWaalsContact O-CG 3.3Å; S675-K679 WeakPolarHBondContact O-CG 3.42Å; S675-K679 PolarHBondContact O-N 3.43Å; Q676-K679 PolarHBondContact O-N 3.35Å; E677-K679 VanDerWaalsContact C-N 3.33Å; E677-K679 PolarHBondContact O-N 2.9Å; K679-E681 VanDerWaalsContact C-N 3.34Å; K679-E682 PolarHBondContact O-N 3.14Å; K679-E683 WeakPolarHBondContact O-CB 3.23Å; K679-E683 WeakPolarHBondContact O-CG 3.06Å; K679-E683 PolarHBondContact O-N 3.11Å |
| 680 | K | 90 | Very high | 89.3 | Confident | 144 Ų | 144 | 106.1 Ų | 106.1 | 63% | 0.626 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.9 | -39.7 | 175.4 | -76.1 | -180 | -179.7 | -176.8 | 0 | 112 | Q676 E677 E683 K684 | Q676-K680 WeakPolarHBondContact O-CG 3.49Å; Q676-K680 PolarHBondContact O-N 3.1Å; E677-K680 PolarHBondContact O-N 3.31Å; K680-E683 PolarHBondContact O-N 3.25Å; K680-K684 WeakPolarHBondContact O-CB 3.48Å; K680-K684 PolarHBondContact O-N 3.22Å |
| 681 | E | 87.9 | Confident | 89.7 | Confident | 97 Ų | 97 | 108.7 Ų | 108.7 | 45% | 0.453 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.7 | -38.8 | 176.6 | -164.5 | 60.7 | -148.3 | 0 | 0 | 111 | E677 A678 K679 K684 V685 | E677-E681 PolarHBondContact O-N 3.17Å; A678-E681 PolarHBondContact O-N 2.94Å; K679-E681 VanDerWaalsContact C-N 3.34Å; E681-K684 PolarHBondContact O-N 2.89Å; E681-K684 IonicContact OE1-NZ 3.46Å; E681-V685 WeakPolarHBondContact O-CB 3.43Å; E681-V685 VanDerWaalsContact O-CG2 3.29Å; E681-V685 WeakPolarHBondContact O-CG2 3.43Å; E681-V685 PolarHBondContact O-N 3.42Å |
| 682 | E | 88.6 | Confident | 89.9 | Confident | 97 Ų | 97 | 105.2 Ų | 105.2 | 45% | 0.453 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.1 | -44.7 | 173.2 | -171.5 | -177.5 | -174.4 | 0 | 0 | 111.8 | A678 K679 K684 V685 R686 | A678-E682 WeakPolarHBondContact O-CB 3.44Å; A678-E682 PolarHBondContact O-N 3.31Å; K679-E682 PolarHBondContact O-N 3.14Å; E682-K684 VanDerWaalsContact C-N 3.33Å; E682-K684 PolarHBondContact O-N 3.4Å; E682-V685 PolarHBondContact O-N 2.97Å; E682-R686 VanDerWaalsContact CD-NH2 3.3Å; E682-R686 WeakPolarHBondContact O-CB 3.16Å; E682-R686 VanDerWaalsContact O-CG 3.29Å; E682-R686 WeakPolarHBondContact O-CG 3.23Å; E682-R686 PolarHBondContact O-N 2.76Å; E682-R686 IonicContact OE1-CZ 2.89Å; E682-R686 IonicContact OE1-NE 2.65Å; E682-R686 IonicContact OE1-NH2 3.63Å; E682-R686 PolarHBondContact OE1-NH2 3.07Å; E682-R686 IonicContact OE2-NH2 2.71Å |
| 683 | E | 89.5 | Confident | 90.2 | Very high | 126 Ų | 126 | 106.2 Ų | 106.2 | 59% | 0.589 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61 | -41.5 | 174.4 | -76.2 | 173.4 | -179.9 | 0 | 0 | 111.9 | K679 K680 R686 A687 | K679-E683 WeakPolarHBondContact O-CB 3.23Å; K679-E683 WeakPolarHBondContact O-CG 3.06Å; K679-E683 PolarHBondContact O-N 3.11Å; K680-E683 PolarHBondContact O-N 3.25Å; E683-R686 PolarHBondContact O-N 3.28Å; E683-A687 WeakPolarHBondContact O-CB 3.42Å; E683-A687 PolarHBondContact O-N 3.3Å |
| 684 | K | 93.3 | Very high | 90.7 | Very high | 114 Ų | 114 | 104.9 Ų | 104.9 | 50% | 0.496 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.2 | -44.5 | 176.3 | -174.3 | -175.3 | 173.2 | -162.6 | 0 | 111.9 | K680 E681 E682 R686 A687 M688 | K680-K684 WeakPolarHBondContact O-CB 3.48Å; K680-K684 PolarHBondContact O-N 3.22Å; E681-K684 PolarHBondContact O-N 2.89Å; E681-K684 IonicContact OE1-NZ 3.46Å; E682-K684 VanDerWaalsContact C-N 3.33Å; E682-K684 PolarHBondContact O-N 3.4Å; K684-R686 VanDerWaalsContact C-N 3.35Å; K684-A687 PolarHBondContact O-N 2.89Å; K684-M688 WeakPolarHBondContact O-CG 3.35Å; K684-M688 PolarHBondContact O-N 3.14Å |
| 685 | V | 92.3 | Very high | 91 | Very high | 75 Ų | 75 | 102.2 Ų | 102.2 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.5 | -42.4 | 175.3 | 171 | 0 | 0 | 0 | 0 | 110.8 | E681 E682 A687 M688 L689 | E681-V685 WeakPolarHBondContact O-CB 3.43Å; E681-V685 VanDerWaalsContact O-CG2 3.29Å; E681-V685 WeakPolarHBondContact O-CG2 3.43Å; E681-V685 PolarHBondContact O-N 3.42Å; E682-V685 PolarHBondContact O-N 2.97Å; V685-A687 VanDerWaalsContact C-N 3.35Å; V685-A687 PolarHBondContact O-N 3.2Å; V685-M688 HydrophobicContact CB-CE 4.45Å; V685-M688 HydrophobicContact CG2-CE 4.02Å; V685-M688 PolarHBondContact O-N 2.9Å; V685-L689 WeakPolarHBondContact O-CB 3.35Å; V685-L689 PolarHBondContact O-N 2.66Å |
| 686 | R | 91.4 | Very high | 91.5 | Very high | 127 Ų | 127 | 106.5 Ų | 106.5 | 48% | 0.479 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.1 | -37.7 | 174.4 | -71.8 | 178.6 | -166.4 | 178 | 2.1 | 112.4 | E682 E683 K684 L689 R690 | E682-R686 VanDerWaalsContact CD-NH2 3.3Å; E682-R686 WeakPolarHBondContact O-CB 3.16Å; E682-R686 VanDerWaalsContact O-CG 3.29Å; E682-R686 WeakPolarHBondContact O-CG 3.23Å; E682-R686 PolarHBondContact O-N 2.76Å; E682-R686 IonicContact OE1-CZ 2.89Å; E682-R686 IonicContact OE1-NE 2.65Å; E682-R686 IonicContact OE1-NH2 3.63Å; E682-R686 PolarHBondContact OE1-NH2 3.07Å; E682-R686 IonicContact OE2-NH2 2.71Å; E683-R686 PolarHBondContact O-N 3.28Å; K684-R686 VanDerWaalsContact C-N 3.35Å; R686-L689 PolarHBondContact O-N 3.08Å; R686-R690 WeakPolarHBondContact O-CG 3.44Å; R686-R690 PolarHBondContact O-N 3.2Å |
| 687 | A | 92.7 | Very high | 91.8 | Very high | 38 Ų | 38 | 105.9 Ų | 105.9 | 31% | 0.314 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65 | -46.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | E683 K684 V685 L689 R690 E691 | E683-A687 WeakPolarHBondContact O-CB 3.42Å; E683-A687 PolarHBondContact O-N 3.3Å; K684-A687 PolarHBondContact O-N 2.89Å; V685-A687 VanDerWaalsContact C-N 3.35Å; V685-A687 PolarHBondContact O-N 3.2Å; A687-L689 VanDerWaalsContact C-N 3.3Å; A687-L689 PolarHBondContact O-N 3.35Å; A687-R690 PolarHBondContact O-N 3.5Å; A687-E691 PolarHBondContact O-N 3.25Å |
| 688 | M | 95 | Very high | 92.1 | Very high | 95 Ų | 95 | 103 Ų | 103 | 47% | 0.468 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.2 | -37.9 | 174.8 | -69 | -173.6 | -57.2 | 0 | 0 | 112.2 | K684 V685 E691 A692 | K684-M688 WeakPolarHBondContact O-CG 3.35Å; K684-M688 PolarHBondContact O-N 3.14Å; V685-M688 HydrophobicContact CB-CE 4.45Å; V685-M688 HydrophobicContact CG2-CE 4.02Å; V685-M688 PolarHBondContact O-N 2.9Å; M688-E691 PolarHBondContact O-N 2.91Å; M688-A692 WeakPolarHBondContact O-CB 3.3Å; M688-A692 PolarHBondContact O-N 3.17Å |
| 689 | L | 93.1 | Very high | 92.3 | Very high | 101 Ų | 101 | 104.7 Ų | 104.7 | 53% | 0.529 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.9 | -46.1 | 176.5 | -165.3 | 80 | 0 | 0 | 0 | 111.2 | V685 R686 A687 E691 A692 E693 | V685-L689 WeakPolarHBondContact O-CB 3.35Å; V685-L689 PolarHBondContact O-N 2.66Å; R686-L689 PolarHBondContact O-N 3.08Å; A687-L689 VanDerWaalsContact C-N 3.3Å; A687-L689 PolarHBondContact O-N 3.35Å; L689-E691 VanDerWaalsContact C-N 3.32Å; L689-E691 PolarHBondContact O-N 3.33Å; L689-A692 PolarHBondContact O-N 3.47Å; L689-E693 WeakPolarHBondContact O-CB 3.36Å; L689-E693 WeakPolarHBondContact O-CG 2.91Å; L689-E693 PolarHBondContact O-N 3.44Å |
| 690 | R | 93.5 | Very high | 92.6 | Very high | 159 Ų | 159 | 102 Ų | 102 | 60% | 0.6 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.7 | -37.8 | 176.3 | -72.1 | -175.5 | -131.4 | 140.7 | -0.2 | 112.5 | R686 A687 K694 | R686-R690 WeakPolarHBondContact O-CG 3.44Å; R686-R690 PolarHBondContact O-N 3.2Å; A687-R690 PolarHBondContact O-N 3.5Å; R690-K694 VanDerWaalsContact O-CB 3.26Å; R690-K694 WeakPolarHBondContact O-CB 3.29Å; R690-K694 PolarHBondContact O-N 3.22Å |
| 691 | E | 93.2 | Very high | 92.8 | Very high | 138 Ų | 138 | 101.3 Ų | 101.3 | 65% | 0.645 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.9 | -40.8 | 174.6 | -76.2 | 176.3 | -179.8 | 0 | 0 | 111.7 | A687 M688 L689 S695 | A687-E691 PolarHBondContact O-N 3.25Å; M688-E691 PolarHBondContact O-N 2.91Å; L689-E691 VanDerWaalsContact C-N 3.32Å; L689-E691 PolarHBondContact O-N 3.33Å; E691-S695 VanDerWaalsContact O-CB 3.26Å; E691-S695 WeakPolarHBondContact O-CB 3.44Å; E691-S695 PolarHBondContact O-N 2.94Å |
| 692 | A | 93.3 | Very high | 93.1 | Very high | 60 Ų | 60 | 104.3 Ų | 104.3 | 50% | 0.496 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.1 | -41.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | M688 L689 S695 K696 | M688-A692 WeakPolarHBondContact O-CB 3.3Å; M688-A692 PolarHBondContact O-N 3.17Å; L689-A692 PolarHBondContact O-N 3.47Å; A692-S695 PolarHBondContact O-N 2.85Å; A692-K696 WeakPolarHBondContact O-CB 3.42Å; A692-K696 PolarHBondContact O-N 2.83Å |
| 693 | E | 92.4 | Very high | 93.3 | Very high | 102 Ų | 102 | 104.3 Ų | 104.3 | 48% | 0.477 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62 | -48.3 | 174.3 | -75 | 172.1 | 166.7 | 0 | 0 | 110.9 | L689 S695 K696 E697 | L689-E693 WeakPolarHBondContact O-CB 3.36Å; L689-E693 WeakPolarHBondContact O-CG 2.91Å; L689-E693 PolarHBondContact O-N 3.44Å; E693-S695 VanDerWaalsContact C-N 3.35Å; E693-S695 PolarHBondContact O-N 3.47Å; E693-K696 WeakPolarHBondContact O-CB 3.45Å; E693-K696 PolarHBondContact O-N 3.27Å; E693-K696 VanDerWaalsContact O-N 3.14Å; E693-E697 WeakPolarHBondContact O-CG 3.5Å; E693-E697 PolarHBondContact O-N 2.97Å |
| 694 | K | 94.4 | Very high | 93.5 | Very high | 134 Ų | 134 | 104.8 Ų | 104.8 | 58% | 0.583 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.2 | -43 | 175.9 | -173.8 | 178.1 | 179.5 | 179.4 | 0 | 112 | R690 K696 E697 D698 | R690-K694 VanDerWaalsContact O-CB 3.26Å; R690-K694 WeakPolarHBondContact O-CB 3.29Å; R690-K694 PolarHBondContact O-N 3.22Å; K694-K696 VanDerWaalsContact C-N 3.29Å; K694-K696 PolarHBondContact O-N 2.85Å; K694-E697 PolarHBondContact O-N 3.2Å; K694-D698 WeakPolarHBondContact O-CB 3.46Å; K694-D698 VanDerWaalsContact O-CG 3.3Å; K694-D698 PolarHBondContact O-N 3.39Å |
| 695 | S | 95.2 | Very high | 93.5 | Very high | 70 Ų | 70 | 105.4 Ų | 105.4 | 49% | 0.49 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64 | -35.5 | 176.3 | -176.5 | 0 | 0 | 0 | 0 | 112.1 | E691 A692 E693 M699 | E691-S695 VanDerWaalsContact O-CB 3.26Å; E691-S695 WeakPolarHBondContact O-CB 3.44Å; E691-S695 PolarHBondContact O-N 2.94Å; A692-S695 PolarHBondContact O-N 2.85Å; E693-S695 VanDerWaalsContact C-N 3.35Å; E693-S695 PolarHBondContact O-N 3.47Å; S695-M699 VanDerWaalsContact O-CG 3.23Å; S695-M699 WeakPolarHBondContact O-CG 3.3Å; S695-M699 PolarHBondContact O-N 3.45Å; S695-M699 VanDerWaalsContact O-N 3.12Å |
| 696 | K | 94.6 | Very high | 93.6 | Very high | 138 Ų | 138 | 106.3 Ų | 106.3 | 60% | 0.6 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.4 | -48.4 | 174.9 | -176.7 | -164.8 | 167.4 | -164.7 | 0 | 110.5 | A692 E693 K694 D698 M699 D700 | A692-K696 WeakPolarHBondContact O-CB 3.42Å; A692-K696 PolarHBondContact O-N 2.83Å; E693-K696 WeakPolarHBondContact O-CB 3.45Å; E693-K696 PolarHBondContact O-N 3.27Å; E693-K696 VanDerWaalsContact O-N 3.14Å; K694-K696 VanDerWaalsContact C-N 3.29Å; K694-K696 PolarHBondContact O-N 2.85Å; K696-D698 VanDerWaalsContact C-N 3.31Å; K696-D698 PolarHBondContact O-N 3.41Å; K696-M699 WeakPolarHBondContact O-CB 3.02Å; K696-M699 PolarHBondContact O-N 2.79Å; K696-M699 VanDerWaalsContact O-N 3.1Å; K696-D700 WeakPolarHBondContact CE-OD2 3.38Å; K696-D700 PolarHBondContact O-N 2.88Å |
| 697 | E | 94.2 | Very high | 93.7 | Very high | 101 Ų | 101 | 103.8 Ų | 103.8 | 47% | 0.472 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.3 | -41.9 | 176.4 | -71.5 | 177.9 | -170.8 | 0 | 0 | 112.2 | E693 K694 M699 D700 R701 | E693-E697 WeakPolarHBondContact O-CG 3.5Å; E693-E697 PolarHBondContact O-N 2.97Å; K694-E697 PolarHBondContact O-N 3.2Å; E697-M699 VanDerWaalsContact C-N 3.31Å; E697-M699 PolarHBondContact O-N 2.87Å; E697-D700 PolarHBondContact O-N 3.06Å; E697-R701 VanDerWaalsContact O-CG 3.32Å; E697-R701 WeakPolarHBondContact O-CG 3.4Å; E697-R701 PolarHBondContact O-N 2.88Å; E697-R701 IonicContact OE2-NH2 3.34Å; E697-R701 PolarHBondContact OE2-NH2 3.01Å; E697-R701 VanDerWaalsContact OE2-NH2 3.14Å |
| 698 | D | 94.7 | Very high | 93.7 | Very high | 61 Ų | 61 | 107.6 Ų | 107.6 | 33% | 0.326 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.8 | -34.2 | 177.1 | -73 | -16.3 | 0 | 0 | 0 | 111.9 | K694 K696 R701 R702 | K694-D698 WeakPolarHBondContact O-CB 3.46Å; K694-D698 VanDerWaalsContact O-CG 3.3Å; K694-D698 PolarHBondContact O-N 3.39Å; K696-D698 VanDerWaalsContact C-N 3.31Å; K696-D698 PolarHBondContact O-N 3.41Å; D698-R701 IonicContact OD1-CZ 3.59Å; D698-R701 IonicContact OD1-NH1 2.98Å; D698-R701 PolarHBondContact OD1-NH1 3.43Å; D698-R702 VanDerWaalsContact O-CG 3.29Å; D698-R702 WeakPolarHBondContact O-CG 3.46Å; D698-R702 PolarHBondContact O-N 3.13Å; D698-R702 VanDerWaalsContact O-N 3.12Å |
| 699 | M | 92.1 | Very high | 93.7 | Very high | 97 Ų | 97 | 105.9 Ų | 105.9 | 48% | 0.478 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -71.6 | -41.6 | 173.7 | -73 | -66.4 | -67.4 | 0 | 0 | 112.1 | S695 K696 E697 R702 L703 | S695-M699 VanDerWaalsContact O-CG 3.23Å; S695-M699 WeakPolarHBondContact O-CG 3.3Å; S695-M699 PolarHBondContact O-N 3.45Å; S695-M699 VanDerWaalsContact O-N 3.12Å; K696-M699 WeakPolarHBondContact O-CB 3.02Å; K696-M699 PolarHBondContact O-N 2.79Å; K696-M699 VanDerWaalsContact O-N 3.1Å; E697-M699 VanDerWaalsContact C-N 3.31Å; E697-M699 PolarHBondContact O-N 2.87Å; M699-R702 PolarHBondContact O-N 3.4Å; M699-L703 WeakPolarHBondContact O-CG 3.38Å; M699-L703 PolarHBondContact O-N 3.25Å |
| 700 | D | 94.3 | Very high | 93.7 | Very high | 68 Ų | 68 | 105.2 Ų | 105.2 | 36% | 0.364 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.4 | -44.4 | 176.3 | -71.2 | -23.4 | 0 | 0 | 0 | 110.3 | K696 E697 R702 L703 E704 | K696-D700 WeakPolarHBondContact CE-OD2 3.38Å; K696-D700 PolarHBondContact O-N 2.88Å; E697-D700 PolarHBondContact O-N 3.06Å; D700-R702 VanDerWaalsContact C-N 3.35Å; D700-R702 PolarHBondContact O-N 3.25Å; D700-L703 WeakPolarHBondContact O-CB 3.41Å; D700-L703 PolarHBondContact O-N 3.35Å; D700-L703 VanDerWaalsContact O-N 3.14Å; D700-E704 WeakPolarHBondContact O-CG 3.45Å; D700-E704 PolarHBondContact O-N 2.92Å |
| 701 | R | 94 | Very high | 93.7 | Very high | 129 Ų | 129 | 103.1 Ų | 103.1 | 49% | 0.487 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.1 | -40.9 | 173.4 | -71.1 | -177.6 | -147.2 | 132.5 | 11 | 112.7 | E697 D698 L703 E704 Q705 | E697-R701 VanDerWaalsContact O-CG 3.32Å; E697-R701 WeakPolarHBondContact O-CG 3.4Å; E697-R701 PolarHBondContact O-N 2.88Å; E697-R701 IonicContact OE2-NH2 3.34Å; E697-R701 PolarHBondContact OE2-NH2 3.01Å; E697-R701 VanDerWaalsContact OE2-NH2 3.14Å; D698-R701 IonicContact OD1-CZ 3.59Å; D698-R701 IonicContact OD1-NH1 2.98Å; D698-R701 PolarHBondContact OD1-NH1 3.43Å; R701-L703 VanDerWaalsContact C-N 3.34Å; R701-E704 PolarHBondContact O-N 3.23Å; R701-Q705 WeakPolarHBondContact O-CB 3.24Å; R701-Q705 PolarHBondContact O-N 2.95Å |
| 702 | R | 94.2 | Very high | 93.7 | Very high | 160 Ų | 160 | 99.9 Ų | 99.9 | 60% | 0.604 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -66.6 | -36.1 | 175.6 | -76.9 | 174.6 | 179.6 | -178.1 | 1.7 | 112.3 | D698 M699 D700 N706 | D698-R702 VanDerWaalsContact O-CG 3.29Å; D698-R702 WeakPolarHBondContact O-CG 3.46Å; D698-R702 PolarHBondContact O-N 3.13Å; D698-R702 VanDerWaalsContact O-N 3.12Å; M699-R702 PolarHBondContact O-N 3.4Å; D700-R702 VanDerWaalsContact C-N 3.35Å; D700-R702 PolarHBondContact O-N 3.25Å; R702-N706 VanDerWaalsContact O-CB 3.3Å; R702-N706 WeakPolarHBondContact O-CB 3.4Å; R702-N706 VanDerWaalsContact O-CG 3.22Å; R702-N706 PolarHBondContact O-N 3.41Å; R702-N706 PolarHBondContact O-ND2 3.18Å |
| 703 | L | 91.7 | Very high | 93.7 | Very high | 97 Ų | 97 | 102 Ų | 102 | 51% | 0.508 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.2 | -43.7 | 175.8 | -75.9 | 170.9 | 0 | 0 | 0 | 111.2 | M699 D700 R701 N706 T707 | M699-L703 WeakPolarHBondContact O-CG 3.38Å; M699-L703 PolarHBondContact O-N 3.25Å; D700-L703 WeakPolarHBondContact O-CB 3.41Å; D700-L703 PolarHBondContact O-N 3.35Å; D700-L703 VanDerWaalsContact O-N 3.14Å; R701-L703 VanDerWaalsContact C-N 3.34Å; L703-N706 PolarHBondContact O-N 2.98Å; L703-T707 WeakPolarHBondContact O-CB 3.35Å; L703-T707 PolarHBondContact O-N 3.31Å; L703-T707 PolarHBondContact O-OG1 3.44Å |
| 704 | E | 93.1 | Very high | 93.8 | Very high | 136 Ų | 136 | 102.9 Ų | 102.9 | 64% | 0.636 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.7 | -46.4 | 173.9 | -72.8 | 173.8 | 177.4 | 0 | 0 | 111.1 | D700 R701 N706 T707 Y708 | D700-E704 WeakPolarHBondContact O-CG 3.45Å; D700-E704 PolarHBondContact O-N 2.92Å; R701-E704 PolarHBondContact O-N 3.23Å; E704-N706 PolarHBondContact O-N 3.05Å; E704-T707 PolarHBondContact O-N 3.23Å; E704-Y708 WeakPolarHBondContact O-CB 3.49Å; E704-Y708 PolarHBondContact O-N 2.77Å |
| 705 | Q | 94 | Very high | 93.8 | Very high | 127 Ų | 127 | 101.5 Ų | 101.5 | 59% | 0.593 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.4 | -44.9 | 176.3 | -171.9 | 177.1 | 16.2 | 0 | 0 | 112.1 | R701 T707 Y708 V709 | R701-Q705 WeakPolarHBondContact O-CB 3.24Å; R701-Q705 PolarHBondContact O-N 2.95Å; Q705-T707 VanDerWaalsContact C-N 3.31Å; Q705-T707 PolarHBondContact O-N 3.06Å; Q705-Y708 PolarHBondContact O-N 3.42Å; Q705-V709 VanDerWaalsContact O-CG2 3.31Å; Q705-V709 WeakPolarHBondContact O-CG2 3.22Å; Q705-V709 PolarHBondContact O-N 2.97Å |
| 706 | N | 93.7 | Very high | 93.8 | Very high | 94 Ų | 94 | 100 Ų | 100 | 50% | 0.503 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.8 | -36.5 | 176.1 | -77.7 | -17.1 | 0 | 0 | 0 | 112 | R702 L703 E704 V709 I710 | R702-N706 VanDerWaalsContact O-CB 3.3Å; R702-N706 WeakPolarHBondContact O-CB 3.4Å; R702-N706 VanDerWaalsContact O-CG 3.22Å; R702-N706 PolarHBondContact O-N 3.41Å; R702-N706 PolarHBondContact O-ND2 3.18Å; L703-N706 PolarHBondContact O-N 2.98Å; E704-N706 PolarHBondContact O-N 3.05Å; N706-V709 PolarHBondContact O-N 3.49Å; N706-I710 WeakPolarHBondContact O-CB 3.39Å; N706-I710 WeakPolarHBondContact O-CD1 3.45Å; N706-I710 WeakPolarHBondContact O-CG1 3.05Å; N706-I710 PolarHBondContact O-N 3.05Å |
| 707 | T | 94.5 | Very high | 93.7 | Very high | 74 Ų | 74 | 98.5 Ų | 98.5 | 45% | 0.454 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.1 | -45.1 | 177.2 | -55.6 | 0 | 0 | 0 | 0 | 110.4 | L703 E704 Q705 I710 E711 | L703-T707 WeakPolarHBondContact O-CB 3.35Å; L703-T707 PolarHBondContact O-N 3.31Å; L703-T707 PolarHBondContact O-OG1 3.44Å; E704-T707 PolarHBondContact O-N 3.23Å; Q705-T707 VanDerWaalsContact C-N 3.31Å; Q705-T707 PolarHBondContact O-N 3.06Å; T707-I710 PolarHBondContact O-N 2.93Å; T707-E711 PolarHBondContact O-N 2.91Å |
| 708 | Y | 93.3 | Very high | 93.8 | Very high | 119 Ų | 119 | 97.9 Ų | 97.9 | 47% | 0.467 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59 | -47.3 | 174.3 | 179.8 | -94.3 | 0 | 0 | 0 | 112 | E704 Q705 I710 E711 E712 | E704-Y708 WeakPolarHBondContact O-CB 3.49Å; E704-Y708 PolarHBondContact O-N 2.77Å; Q705-Y708 PolarHBondContact O-N 3.42Å; Y708-I710 VanDerWaalsContact C-N 3.3Å; Y708-I710 PolarHBondContact O-N 2.88Å; Y708-E711 PolarHBondContact O-N 3.09Å; Y708-E711 VanDerWaalsContact O-N 3.15Å; Y708-E712 HydrophobicContact CD1-CG 4.27Å; Y708-E712 HydrophobicContact CE1-CG 3.76Å; Y708-E712 WeakPolarHBondContact CE1-OE1 3.09Å; Y708-E712 PolarHBondContact O-N 3.05Å; Y708-E712 PolarHBondContact OH-OE1 3.41Å |
| 709 | V | 94.4 | Very high | 93.8 | Very high | 59 Ų | 59 | 101.9 Ų | 101.9 | 36% | 0.358 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.7 | -37.5 | 176.4 | 171.3 | 0 | 0 | 0 | 0 | 111.8 | Q705 N706 L713 | Q705-V709 VanDerWaalsContact O-CG2 3.31Å; Q705-V709 WeakPolarHBondContact O-CG2 3.22Å; Q705-V709 PolarHBondContact O-N 2.97Å; N706-V709 PolarHBondContact O-N 3.49Å; V709-L713 HydrophobicContact CG1-CD1 3.97Å; V709-L713 HydrophobicContact CG1-CG 4.35Å; V709-L713 WeakPolarHBondContact O-CB 3.44Å; V709-L713 VanDerWaalsContact O-CG 3.22Å; V709-L713 WeakPolarHBondContact O-CG 3.28Å; V709-L713 PolarHBondContact O-N 3.04Å |
| 710 | I | 93.7 | Very high | 93.9 | Very high | 87 Ų | 87 | 102.4 Ų | 102.4 | 45% | 0.446 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.6 | -40.3 | 175.8 | -72.3 | 164.1 | 0 | 0 | 0 | 111.2 | N706 T707 Y708 L713 K714 | N706-I710 WeakPolarHBondContact O-CB 3.39Å; N706-I710 WeakPolarHBondContact O-CD1 3.45Å; N706-I710 WeakPolarHBondContact O-CG1 3.05Å; N706-I710 PolarHBondContact O-N 3.05Å; T707-I710 PolarHBondContact O-N 2.93Å; Y708-I710 VanDerWaalsContact C-N 3.3Å; Y708-I710 PolarHBondContact O-N 2.88Å; I710-L713 PolarHBondContact O-N 3.36Å; I710-K714 HydrophobicContact CG2-CD 4.26Å; I710-K714 VanDerWaalsContact O-CG 3.32Å; I710-K714 WeakPolarHBondContact O-CG 3.35Å; I710-K714 PolarHBondContact O-N 3.39Å |
| 711 | E | 93.7 | Very high | 94 | Very high | 115 Ų | 115 | 103.5 Ų | 103.5 | 54% | 0.537 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66 | -45.5 | 176 | -73.2 | -177.6 | 167.6 | 0 | 0 | 111.6 | T707 Y708 L713 K714 E715 | T707-E711 PolarHBondContact O-N 2.91Å; Y708-E711 PolarHBondContact O-N 3.09Å; Y708-E711 VanDerWaalsContact O-N 3.15Å; E711-L713 VanDerWaalsContact C-N 3.31Å; E711-L713 PolarHBondContact O-N 3.41Å; E711-K714 PolarHBondContact O-N 3.5Å; E711-E715 WeakPolarHBondContact O-CG 3.33Å; E711-E715 PolarHBondContact O-N 3.4Å |
| 712 | E | 93 | Very high | 94 | Very high | 70 Ų | 70 | 103.8 Ų | 103.8 | 33% | 0.327 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.1 | -42 | 174.1 | -75.1 | -168.9 | 147.2 | 0 | 0 | 112.2 | Y708 E715 S716 | Y708-E712 HydrophobicContact CD1-CG 4.27Å; Y708-E712 HydrophobicContact CE1-CG 3.76Å; Y708-E712 WeakPolarHBondContact CE1-OE1 3.09Å; Y708-E712 PolarHBondContact O-N 3.05Å; Y708-E712 PolarHBondContact OH-OE1 3.41Å; E712-E715 PolarHBondContact O-N 3.34Å; E712-S716 WeakPolarHBondContact O-CB 3.31Å; E712-S716 PolarHBondContact O-N 3Å |
| 713 | L | 93.2 | Very high | 94.1 | Very high | 103 Ų | 103 | 103.3 Ų | 103.3 | 54% | 0.539 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65 | -41.6 | 176.9 | -75.9 | 173.3 | 0 | 0 | 0 | 111.7 | V709 I710 E711 S716 E717 | V709-L713 HydrophobicContact CG1-CD1 3.97Å; V709-L713 HydrophobicContact CG1-CG 4.35Å; V709-L713 WeakPolarHBondContact O-CB 3.44Å; V709-L713 VanDerWaalsContact O-CG 3.22Å; V709-L713 WeakPolarHBondContact O-CG 3.28Å; V709-L713 PolarHBondContact O-N 3.04Å; I710-L713 PolarHBondContact O-N 3.36Å; E711-L713 VanDerWaalsContact C-N 3.31Å; E711-L713 PolarHBondContact O-N 3.41Å; L713-S716 WeakPolarHBondContact CA-OG 3.18Å; L713-S716 PolarHBondContact O-N 3.38Å; L713-S716 PolarHBondContact O-OG 3.3Å; L713-E717 WeakPolarHBondContact O-CB 3.45Å; L713-E717 PolarHBondContact O-N 3.4Å |
| 714 | K | 94.7 | Very high | 94.3 | Very high | 121 Ų | 121 | 103.1 Ų | 103.1 | 53% | 0.526 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.5 | -44.8 | 175.1 | -77.2 | 174.1 | 178.6 | 177.1 | 0 | 112.2 | I710 E711 S716 E717 D718 | I710-K714 HydrophobicContact CG2-CD 4.26Å; I710-K714 VanDerWaalsContact O-CG 3.32Å; I710-K714 WeakPolarHBondContact O-CG 3.35Å; I710-K714 PolarHBondContact O-N 3.39Å; E711-K714 PolarHBondContact O-N 3.5Å; K714-S716 VanDerWaalsContact C-N 3.26Å; K714-S716 PolarHBondContact O-N 2.85Å; K714-E717 WeakPolarHBondContact O-CB 3.48Å; K714-E717 PolarHBondContact O-N 3.35Å; K714-D718 PolarHBondContact O-N 3.44Å |
| 715 | E | 93.6 | Very high | 94.4 | Very high | 106 Ų | 106 | 102.1 Ų | 102.1 | 50% | 0.495 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.5 | -37.2 | 174.9 | -70.7 | -173.3 | 177.7 | 0 | 0 | 111.8 | E711 E712 D718 R719 | E711-E715 WeakPolarHBondContact O-CG 3.33Å; E711-E715 PolarHBondContact O-N 3.4Å; E712-E715 PolarHBondContact O-N 3.34Å; E715-D718 PolarHBondContact O-N 3.3Å; E715-R719 WeakPolarHBondContact O-CB 3.47Å; E715-R719 VanDerWaalsContact O-CG 3.3Å; E715-R719 WeakPolarHBondContact O-CG 3.29Å; E715-R719 PolarHBondContact O-N 3.47Å; E715-R719 IonicContact OE2-NH1 2.75Å; E715-R719 PolarHBondContact OE2-NH1 2.79Å |
| 716 | S | 94.3 | Very high | 94.4 | Very high | 38 Ų | 38 | 100.5 Ų | 100.5 | 27% | 0.266 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66 | -38.6 | 175 | 83 | 0 | 0 | 0 | 0 | 112 | E712 L713 K714 R719 L720 | E712-S716 WeakPolarHBondContact O-CB 3.31Å; E712-S716 PolarHBondContact O-N 3Å; L713-S716 WeakPolarHBondContact CA-OG 3.18Å; L713-S716 PolarHBondContact O-N 3.38Å; L713-S716 PolarHBondContact O-OG 3.3Å; K714-S716 VanDerWaalsContact C-N 3.26Å; K714-S716 PolarHBondContact O-N 2.85Å; S716-R719 PolarHBondContact O-N 3.22Å; S716-L720 WeakPolarHBondContact O-CB 3.26Å; S716-L720 VanDerWaalsContact O-CG 3.26Å; S716-L720 WeakPolarHBondContact O-CG 3.22Å; S716-L720 PolarHBondContact O-N 3.26Å |
| 717 | E | 94.5 | Very high | 94.5 | Very high | 106 Ų | 106 | 100.4 Ų | 100.4 | 50% | 0.495 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.7 | -47.8 | 174.6 | -174.3 | -179.1 | 178.6 | 0 | 0 | 110.7 | L713 K714 R719 L720 Q721 | L713-E717 WeakPolarHBondContact O-CB 3.45Å; L713-E717 PolarHBondContact O-N 3.4Å; K714-E717 WeakPolarHBondContact O-CB 3.48Å; K714-E717 PolarHBondContact O-N 3.35Å; E717-R719 VanDerWaalsContact C-N 3.34Å; E717-R719 PolarHBondContact O-N 2.95Å; E717-L720 PolarHBondContact O-N 3.46Å; E717-Q721 WeakPolarHBondContact O-CB 3.42Å; E717-Q721 PolarHBondContact O-N 2.88Å; E717-Q721 PolarHBondContact OE1-NE2 2.89Å |
| 718 | D | 94.7 | Very high | 94.5 | Very high | 89 Ų | 89 | 102.7 Ų | 102.7 | 48% | 0.476 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.3 | -41.1 | 176.7 | -76 | -12.2 | 0 | 0 | 0 | 111.9 | K714 E715 K722 | K714-D718 PolarHBondContact O-N 3.44Å; E715-D718 PolarHBondContact O-N 3.3Å; D718-K722 WeakPolarHBondContact O-CG 3.18Å; D718-K722 PolarHBondContact O-N 3.39Å |
| 719 | R | 94.6 | Very high | 94.6 | Very high | 144 Ų | 144 | 101 Ų | 101 | 54% | 0.543 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.8 | -44.1 | 175.5 | -77.4 | -172.9 | -68.2 | -101.8 | 0.8 | 111.4 | E715 S716 E717 R723 | E715-R719 WeakPolarHBondContact O-CB 3.47Å; E715-R719 VanDerWaalsContact O-CG 3.3Å; E715-R719 WeakPolarHBondContact O-CG 3.29Å; E715-R719 PolarHBondContact O-N 3.47Å; E715-R719 IonicContact OE2-NH1 2.75Å; E715-R719 PolarHBondContact OE2-NH1 2.79Å; S716-R719 PolarHBondContact O-N 3.22Å; E717-R719 VanDerWaalsContact C-N 3.34Å; E717-R719 PolarHBondContact O-N 2.95Å; R719-R723 WeakPolarHBondContact O-CB 3.38Å; R719-R723 PolarHBondContact O-N 2.98Å |
| 720 | L | 94.7 | Very high | 94.6 | Very high | 109 Ų | 109 | 100.6 Ų | 100.6 | 57% | 0.571 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -67.7 | -40 | 178.3 | -73.6 | 172.3 | 0 | 0 | 0 | 111.9 | S716 E717 R723 I724 | S716-L720 WeakPolarHBondContact O-CB 3.26Å; S716-L720 VanDerWaalsContact O-CG 3.26Å; S716-L720 WeakPolarHBondContact O-CG 3.22Å; S716-L720 PolarHBondContact O-N 3.26Å; E717-L720 PolarHBondContact O-N 3.46Å; L720-R723 WeakPolarHBondContact O-CB 3.3Å; L720-R723 PolarHBondContact O-N 3.25Å; L720-I724 VanDerWaalsContact O-CG1 3.32Å; L720-I724 WeakPolarHBondContact O-CG1 3.3Å; L720-I724 PolarHBondContact O-N 3.38Å |
| 721 | Q | 95.8 | Very high | 94.6 | Very high | 90 Ų | 90 | 101.2 Ų | 101.2 | 42% | 0.421 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.4 | -47.9 | 174.8 | -82.3 | 169 | -4.3 | 0 | 0 | 111.6 | E717 R723 I724 E725 | E717-Q721 WeakPolarHBondContact O-CB 3.42Å; E717-Q721 PolarHBondContact O-N 2.88Å; E717-Q721 PolarHBondContact OE1-NE2 2.89Å; Q721-R723 VanDerWaalsContact C-N 3.26Å; Q721-R723 PolarHBondContact O-N 3.1Å; Q721-I724 WeakPolarHBondContact O-CB 3.39Å; Q721-I724 PolarHBondContact O-N 2.93Å; Q721-I724 VanDerWaalsContact O-N 3.13Å; Q721-E725 PolarHBondContact O-N 2.92Å |
| 722 | K | 95.1 | Very high | 94.7 | Very high | 135 Ų | 135 | 99.4 Ų | 99.4 | 59% | 0.587 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -58.9 | -37.8 | 173.2 | -74.5 | 174.5 | -178 | 170.4 | 0 | 112.4 | D718 E725 N726 | D718-K722 WeakPolarHBondContact O-CG 3.18Å; D718-K722 PolarHBondContact O-N 3.39Å; K722-E725 PolarHBondContact O-N 3.13Å; K722-N726 WeakPolarHBondContact O-CB 3.42Å; K722-N726 VanDerWaalsContact O-CG 3.22Å; K722-N726 PolarHBondContact O-N 3.41Å; K722-N726 PolarHBondContact O-ND2 2.79Å |
| 723 | R | 96.1 | Very high | 94.8 | Very high | 151 Ų | 151 | 99.2 Ų | 99.2 | 57% | 0.57 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66.5 | -39.8 | 176.8 | -175.6 | 56.3 | 168 | 174.3 | -3.8 | 111.7 | R719 L720 Q721 N726 L727 | R719-R723 WeakPolarHBondContact O-CB 3.38Å; R719-R723 PolarHBondContact O-N 2.98Å; L720-R723 WeakPolarHBondContact O-CB 3.3Å; L720-R723 PolarHBondContact O-N 3.25Å; Q721-R723 VanDerWaalsContact C-N 3.26Å; Q721-R723 PolarHBondContact O-N 3.1Å; R723-N726 PolarHBondContact O-N 3.07Å; R723-L727 HydrophobicContact CG-CD1 4.21Å; R723-L727 WeakPolarHBondContact O-CB 3.47Å; R723-L727 VanDerWaalsContact O-CG 3.3Å; R723-L727 WeakPolarHBondContact O-CG 3.23Å; R723-L727 PolarHBondContact O-N 2.89Å |
| 724 | I | 95 | Very high | 94.7 | Very high | 92 Ų | 92 | 97 Ų | 97 | 47% | 0.472 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.4 | -49.1 | 174.9 | -70.1 | 165.2 | 0 | 0 | 0 | 110 | L720 Q721 N726 L727 E728 | L720-I724 VanDerWaalsContact O-CG1 3.32Å; L720-I724 WeakPolarHBondContact O-CG1 3.3Å; L720-I724 PolarHBondContact O-N 3.38Å; Q721-I724 WeakPolarHBondContact O-CB 3.39Å; Q721-I724 PolarHBondContact O-N 2.93Å; Q721-I724 VanDerWaalsContact O-N 3.13Å; I724-N726 VanDerWaalsContact C-N 3.31Å; I724-N726 PolarHBondContact O-N 3.24Å; I724-L727 PolarHBondContact O-N 2.79Å; I724-L727 VanDerWaalsContact O-N 3.08Å; I724-E728 HydrophobicContact CG2-CG 4.33Å; I724-E728 WeakPolarHBondContact O-CG 3.21Å; I724-E728 PolarHBondContact O-N 3.38Å |
| 725 | E | 95.9 | Very high | 94.7 | Very high | 115 Ų | 115 | 96.5 Ų | 96.5 | 54% | 0.537 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -57.8 | -41.9 | 176.9 | -70.3 | 176 | 175.2 | 0 | 0 | 112.3 | Q721 K722 E728 T729 | Q721-E725 PolarHBondContact O-N 2.92Å; K722-E725 PolarHBondContact O-N 3.13Å; E725-E728 PolarHBondContact O-N 3.48Å; E725-T729 WeakPolarHBondContact O-CG2 3.45Å; E725-T729 PolarHBondContact O-N 3.05Å; E725-T729 PolarHBondContact O-OG1 3.21Å |
| 726 | N | 94.4 | Very high | 94.7 | Very high | 94 Ų | 94 | 97.9 Ų | 97.9 | 50% | 0.503 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.1 | -37.4 | 176.1 | -73.5 | -20.2 | 0 | 0 | 0 | 112.6 | K722 R723 I724 T729 A730 | K722-N726 WeakPolarHBondContact O-CB 3.42Å; K722-N726 VanDerWaalsContact O-CG 3.22Å; K722-N726 PolarHBondContact O-N 3.41Å; K722-N726 PolarHBondContact O-ND2 2.79Å; R723-N726 PolarHBondContact O-N 3.07Å; I724-N726 VanDerWaalsContact C-N 3.31Å; I724-N726 PolarHBondContact O-N 3.24Å; N726-T729 WeakPolarHBondContact CA-OG1 3.39Å; N726-T729 PolarHBondContact O-OG1 2.73Å; N726-A730 VanDerWaalsContact O-CB 3.3Å; N726-A730 WeakPolarHBondContact O-CB 3.27Å; N726-A730 PolarHBondContact O-N 2.73Å |
| 727 | L | 94.9 | Very high | 94.6 | Very high | 92 Ų | 92 | 102.2 Ų | 102.2 | 48% | 0.482 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -72.1 | -36.1 | 176.4 | -73.9 | 172.4 | 0 | 0 | 0 | 111.8 | R723 I724 L731 | R723-L727 HydrophobicContact CG-CD1 4.21Å; R723-L727 WeakPolarHBondContact O-CB 3.47Å; R723-L727 VanDerWaalsContact O-CG 3.3Å; R723-L727 WeakPolarHBondContact O-CG 3.23Å; R723-L727 PolarHBondContact O-N 2.89Å; I724-L727 PolarHBondContact O-N 2.79Å; I724-L727 VanDerWaalsContact O-N 3.08Å; L727-L731 WeakPolarHBondContact O-CB 3.47Å; L727-L731 PolarHBondContact O-N 2.94Å |
| 728 | E | 96.2 | Very high | 94.5 | Very high | 121 Ų | 121 | 100.5 Ų | 100.5 | 57% | 0.565 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.3 | -43.7 | 174.7 | -73.8 | 179.4 | 163.5 | 0 | 0 | 111.5 | I724 E725 L731 E732 | I724-E728 HydrophobicContact CG2-CG 4.33Å; I724-E728 WeakPolarHBondContact O-CG 3.21Å; I724-E728 PolarHBondContact O-N 3.38Å; E725-E728 PolarHBondContact O-N 3.48Å; E728-L731 PolarHBondContact O-N 3.46Å; E728-E732 WeakPolarHBondContact O-CB 3.32Å; E728-E732 PolarHBondContact O-N 3.45Å |
| 729 | T | 94.4 | Very high | 94.5 | Very high | 85 Ų | 85 | 102.2 Ų | 102.2 | 52% | 0.521 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.8 | -43.5 | 175.2 | 49.9 | 0 | 0 | 0 | 0 | 112.1 | E725 N726 E732 T733 | E725-T729 WeakPolarHBondContact O-CG2 3.45Å; E725-T729 PolarHBondContact O-N 3.05Å; E725-T729 PolarHBondContact O-OG1 3.21Å; N726-T729 WeakPolarHBondContact CA-OG1 3.39Å; N726-T729 PolarHBondContact O-OG1 2.73Å; T729-E732 PolarHBondContact O-N 3.23Å; T729-T733 WeakPolarHBondContact O-CG2 3.25Å; T729-T733 PolarHBondContact O-N 3.4Å; T729-T733 PolarHBondContact O-OG1 3.07Å |
| 730 | A | 94 | Very high | 94.3 | Very high | 50 Ų | 50 | 99.4 Ų | 99.4 | 41% | 0.413 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.3 | -37.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | N726 E732 T733 S734 | N726-A730 VanDerWaalsContact O-CB 3.3Å; N726-A730 WeakPolarHBondContact O-CB 3.27Å; N726-A730 PolarHBondContact O-N 2.73Å; A730-E732 VanDerWaalsContact C-N 3.31Å; A730-T733 WeakPolarHBondContact CA-OG1 3.44Å; A730-T733 PolarHBondContact O-N 3.18Å; A730-T733 PolarHBondContact O-OG1 3.05Å; A730-S734 WeakPolarHBondContact O-CB 3.36Å; A730-S734 PolarHBondContact O-N 3.39Å |
| 731 | L | 95.1 | Very high | 94 | Very high | 99 Ų | 99 | 98.3 Ų | 98.3 | 52% | 0.518 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.1 | -41.2 | 174.2 | 178 | 64.5 | 0 | 0 | 0 | 110.7 | L727 E728 S734 K735 | L727-L731 WeakPolarHBondContact O-CB 3.47Å; L727-L731 PolarHBondContact O-N 2.94Å; E728-L731 PolarHBondContact O-N 3.46Å; L731-S734 PolarHBondContact O-N 3.18Å; L731-K735 WeakPolarHBondContact O-CG 3.25Å; L731-K735 PolarHBondContact O-N 3.18Å |
| 732 | E | 95 | Very high | 93.8 | Very high | 77 Ų | 77 | 102.4 Ų | 102.4 | 36% | 0.36 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.9 | -38.1 | 179.1 | -173.3 | 62.6 | -164 | 0 | 0 | 112.2 | E728 T729 A730 K735 R736 | E728-E732 WeakPolarHBondContact O-CB 3.32Å; E728-E732 PolarHBondContact O-N 3.45Å; T729-E732 PolarHBondContact O-N 3.23Å; A730-E732 VanDerWaalsContact C-N 3.31Å; E732-K735 PolarHBondContact O-N 2.98Å; E732-R736 WeakPolarHBondContact O-CG 3.4Å; E732-R736 PolarHBondContact O-N 3.36Å; E732-R736 VanDerWaalsContact O-N 3.17Å; E732-R736 IonicContact OE1-CZ 3.91Å; E732-R736 IonicContact OE1-NE 2.67Å; E732-R736 IonicContact OE1-NH2 2.85Å; E732-R736 PolarHBondContact OE1-NH2 3.47Å |
| 733 | T | 93.8 | Very high | 93.7 | Very high | 67 Ų | 67 | 101.4 Ų | 101.4 | 41% | 0.411 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.9 | -44.6 | 172.2 | 53.2 | 0 | 0 | 0 | 0 | 111.6 | T729 A730 K735 R736 E737 | T729-T733 WeakPolarHBondContact O-CG2 3.25Å; T729-T733 PolarHBondContact O-N 3.4Å; T729-T733 PolarHBondContact O-OG1 3.07Å; A730-T733 WeakPolarHBondContact CA-OG1 3.44Å; A730-T733 PolarHBondContact O-N 3.18Å; A730-T733 PolarHBondContact O-OG1 3.05Å; T733-K735 VanDerWaalsContact C-N 3.33Å; T733-K735 PolarHBondContact O-N 3.43Å; T733-R736 WeakPolarHBondContact O-CB 3.18Å; T733-R736 PolarHBondContact O-N 3.11Å; T733-R736 VanDerWaalsContact O-N 3.14Å; T733-E737 WeakPolarHBondContact O-CG 3.15Å; T733-E737 PolarHBondContact O-N 3.25Å |
| 734 | S | 92.5 | Very high | 93.5 | Very high | 56 Ų | 56 | 98.6 Ų | 98.6 | 39% | 0.392 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.9 | -38.7 | 177.8 | -176.9 | 0 | 0 | 0 | 0 | 112.3 | A730 L731 R736 E737 V738 | A730-S734 WeakPolarHBondContact O-CB 3.36Å; A730-S734 PolarHBondContact O-N 3.39Å; L731-S734 PolarHBondContact O-N 3.18Å; S734-R736 VanDerWaalsContact C-N 3.34Å; S734-R736 PolarHBondContact O-N 3.49Å; S734-E737 PolarHBondContact O-N 3.35Å; S734-V738 WeakPolarHBondContact O-CG2 3.32Å; S734-V738 PolarHBondContact O-N 3.38Å |
| 735 | K | 94.1 | Very high | 93.3 | Very high | 111 Ų | 111 | 98.9 Ų | 98.9 | 48% | 0.483 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.5 | -43.9 | 172.8 | -78.4 | 174.1 | -177.7 | 170.7 | 0 | 112.1 | L731 E732 T733 V738 E739 | L731-K735 WeakPolarHBondContact O-CG 3.25Å; L731-K735 PolarHBondContact O-N 3.18Å; E732-K735 PolarHBondContact O-N 2.98Å; T733-K735 VanDerWaalsContact C-N 3.33Å; T733-K735 PolarHBondContact O-N 3.43Å; K735-V738 PolarHBondContact O-N 3.09Å; K735-E739 WeakPolarHBondContact O-CB 3.44Å; K735-E739 PolarHBondContact O-N 3.28Å |
| 736 | R | 93.5 | Very high | 93.1 | Very high | 134 Ų | 134 | 97.2 Ų | 97.2 | 51% | 0.506 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.5 | -40.9 | 176.1 | -70.6 | -178 | -168.9 | 114.8 | 12.3 | 112 | E732 T733 S734 E739 C740 | E732-R736 WeakPolarHBondContact O-CG 3.4Å; E732-R736 PolarHBondContact O-N 3.36Å; E732-R736 VanDerWaalsContact O-N 3.17Å; E732-R736 IonicContact OE1-CZ 3.91Å; E732-R736 IonicContact OE1-NE 2.67Å; E732-R736 IonicContact OE1-NH2 2.85Å; E732-R736 PolarHBondContact OE1-NH2 3.47Å; T733-R736 WeakPolarHBondContact O-CB 3.18Å; T733-R736 PolarHBondContact O-N 3.11Å; T733-R736 VanDerWaalsContact O-N 3.14Å; S734-R736 VanDerWaalsContact C-N 3.34Å; S734-R736 PolarHBondContact O-N 3.49Å; R736-E739 PolarHBondContact O-N 2.84Å; R736-C740 PolarHBondContact O-N 3.24Å; R736-C740 PolarHBondContact O-SG 3.32Å |
| 737 | E | 92 | Very high | 93 | Very high | 130 Ų | 130 | 95.8 Ų | 95.8 | 61% | 0.607 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.6 | -44.5 | 175.9 | -71.1 | 170.5 | 178.1 | 0 | 0 | 111.7 | T733 S734 E739 C740 E741 | T733-E737 WeakPolarHBondContact O-CG 3.15Å; T733-E737 PolarHBondContact O-N 3.25Å; S734-E737 PolarHBondContact O-N 3.35Å; E737-E739 VanDerWaalsContact C-N 3.29Å; E737-E739 PolarHBondContact O-N 2.9Å; E737-C740 PolarHBondContact O-N 2.96Å; E737-E741 WeakPolarHBondContact O-CB 3.46Å; E737-E741 PolarHBondContact O-N 3.47Å |
| 738 | V | 93.2 | Very high | 92.9 | Very high | 69 Ų | 69 | 96.3 Ų | 96.3 | 42% | 0.418 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.3 | -35 | 175.7 | 169.9 | 0 | 0 | 0 | 0 | 111.9 | S734 K735 R742 | S734-V738 WeakPolarHBondContact O-CG2 3.32Å; S734-V738 PolarHBondContact O-N 3.38Å; K735-V738 PolarHBondContact O-N 3.09Å; V738-R742 WeakPolarHBondContact O-CB 3.31Å; V738-R742 WeakPolarHBondContact O-CG 3.44Å; V738-R742 PolarHBondContact O-N 3.43Å |
| 739 | E | 94.1 | Very high | 92.7 | Very high | 126 Ų | 126 | 98.8 Ų | 98.8 | 59% | 0.589 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -69.8 | -45.5 | 176.2 | -161.9 | 160.2 | -148.7 | 0 | 0 | 111.4 | K735 R736 E737 E741 R742 D743 | K735-E739 WeakPolarHBondContact O-CB 3.44Å; K735-E739 PolarHBondContact O-N 3.28Å; R736-E739 PolarHBondContact O-N 2.84Å; E737-E739 VanDerWaalsContact C-N 3.29Å; E737-E739 PolarHBondContact O-N 2.9Å; E739-E741 VanDerWaalsContact C-N 3.33Å; E739-E741 PolarHBondContact O-N 3.47Å; E739-R742 WeakPolarHBondContact O-CB 3.46Å; E739-R742 PolarHBondContact O-N 3.24Å; E739-D743 PolarHBondContact O-N 3.06Å |
| 740 | C | 91.5 | Very high | 92.6 | Very high | 85 Ų | 85 | 96.2 Ų | 96.2 | 57% | 0.574 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -58.2 | -42.3 | 171.5 | -70.9 | 0 | 0 | 0 | 0 | 112.5 | R736 E737 D743 M744 | R736-C740 PolarHBondContact O-N 3.24Å; R736-C740 PolarHBondContact O-SG 3.32Å; E737-C740 PolarHBondContact O-N 2.96Å; C740-D743 PolarHBondContact O-N 3.19Å; C740-M744 PolarHBondContact O-N 3.47Å |
| 741 | E | 87.7 | Confident | 92.5 | Very high | 86 Ų | 86 | 100 Ų | 100 | 40% | 0.402 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.2 | -39.2 | 177.6 | -169.1 | 64.3 | -149.8 | 0 | 0 | 111.3 | E737 E739 M744 H745 | E737-E741 WeakPolarHBondContact O-CB 3.46Å; E737-E741 PolarHBondContact O-N 3.47Å; E739-E741 VanDerWaalsContact C-N 3.33Å; E739-E741 PolarHBondContact O-N 3.47Å; E741-M744 PolarHBondContact O-N 3.11Å; E741-M744 WeakPolarHBondContact OE1-CE 3.35Å; E741-M744 WeakPolarHBondContact OE2-CE 3.5Å; E741-H745 WeakPolarHBondContact O-CB 3.27Å; E741-H745 PolarHBondContact O-CD2 2.79Å; E741-H745 PolarHBondContact O-N 3.5Å; E741-H745 IonicContact OE1-CD2 3.28Å; E741-H745 IonicContact OE1-CE1 3.78Å; E741-H745 IonicContact OE1-NE2 3.52Å |
| 742 | R | 92 | Very high | 92.4 | Very high | 176 Ų | 176 | 102.7 Ų | 102.7 | 66% | 0.664 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.5 | -42.9 | 173.2 | -85.4 | -179 | 156.5 | 115.4 | -0 | 112.1 | V738 E739 H745 S746 | V738-R742 WeakPolarHBondContact O-CB 3.31Å; V738-R742 WeakPolarHBondContact O-CG 3.44Å; V738-R742 PolarHBondContact O-N 3.43Å; E739-R742 WeakPolarHBondContact O-CB 3.46Å; E739-R742 PolarHBondContact O-N 3.24Å; R742-H745 PolarHBondContact O-N 3.11Å; R742-S746 WeakPolarHBondContact O-CB 3.4Å; R742-S746 PolarHBondContact O-N 3.28Å |
| 743 | D | 91.9 | Very high | 92.4 | Very high | 114 Ų | 114 | 103.3 Ų | 103.3 | 61% | 0.61 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.7 | -42.7 | 176.2 | -75.7 | -15 | 0 | 0 | 0 | 111.3 | E739 C740 S746 A747 | E739-D743 PolarHBondContact O-N 3.06Å; C740-D743 PolarHBondContact O-N 3.19Å; D743-S746 WeakPolarHBondContact O-CB 3.29Å; D743-S746 PolarHBondContact O-N 3.45Å; D743-A747 PolarHBondContact O-N 3.22Å |
| 744 | M | 91.8 | Very high | 92.3 | Very high | 91 Ų | 91 | 107 Ų | 107 | 45% | 0.448 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63 | -45.3 | 175 | -175.1 | 175.4 | 57.3 | 0 | 0 | 111.9 | C740 E741 S746 A747 L748 | C740-M744 PolarHBondContact O-N 3.47Å; E741-M744 PolarHBondContact O-N 3.11Å; E741-M744 WeakPolarHBondContact OE1-CE 3.35Å; E741-M744 WeakPolarHBondContact OE2-CE 3.5Å; M744-S746 VanDerWaalsContact C-N 3.32Å; M744-S746 PolarHBondContact O-N 3.1Å; M744-A747 PolarHBondContact O-N 2.86Å; M744-L748 HydrophobicContact CG-CD1 4.23Å; M744-L748 WeakPolarHBondContact O-CB 3.33Å; M744-L748 WeakPolarHBondContact O-CG 3.4Å; M744-L748 PolarHBondContact O-N 3.41Å |
| 745 | H | 91.3 | Very high | 92.4 | Very high | 98 Ų | 98 | 110.1 Ų | 110.1 | 45% | 0.454 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.5 | -37.4 | 175.2 | -83.1 | -49.6 | 0 | 0 | 0 | 112.7 | E741 R742 L748 R749 | E741-H745 WeakPolarHBondContact O-CB 3.27Å; E741-H745 PolarHBondContact O-CD2 2.79Å; E741-H745 PolarHBondContact O-N 3.5Å; E741-H745 IonicContact OE1-CD2 3.28Å; E741-H745 IonicContact OE1-CE1 3.78Å; E741-H745 IonicContact OE1-NE2 3.52Å; R742-H745 PolarHBondContact O-N 3.11Å; H745-L748 PolarHBondContact O-N 3.29Å; H745-R749 WeakPolarHBondContact O-CB 3.32Å; H745-R749 PolarHBondContact O-N 2.93Å |
| 746 | S | 92 | Very high | 92.4 | Very high | 80 Ų | 80 | 109.7 Ų | 109.7 | 56% | 0.559 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.1 | -45.7 | 174 | -173.6 | 0 | 0 | 0 | 0 | 111.1 | R742 D743 M744 R749 G750 | R742-S746 WeakPolarHBondContact O-CB 3.4Å; R742-S746 PolarHBondContact O-N 3.28Å; D743-S746 WeakPolarHBondContact O-CB 3.29Å; D743-S746 PolarHBondContact O-N 3.45Å; M744-S746 VanDerWaalsContact C-N 3.32Å; M744-S746 PolarHBondContact O-N 3.1Å; S746-R749 PolarHBondContact O-N 3.32Å; S746-G750 PolarHBondContact O-N 3.32Å |
| 747 | A | 92.6 | Very high | 92.4 | Very high | 65 Ų | 65 | 105.8 Ų | 105.8 | 54% | 0.537 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.8 | -44.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | D743 M744 R749 G750 H751 | D743-A747 PolarHBondContact O-N 3.22Å; M744-A747 PolarHBondContact O-N 2.86Å; A747-R749 PolarHBondContact O-N 2.88Å; A747-G750 PolarHBondContact O-N 2.94Å; A747-H751 PolarHBondContact O-N 3.06Å |
| 748 | L | 91.4 | Very high | 92.4 | Very high | 103 Ų | 103 | 104.8 Ų | 104.8 | 54% | 0.539 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.2 | -42.7 | 175.3 | -79.6 | 168 | 0 | 0 | 0 | 112 | M744 H745 H751 Y752 | M744-L748 HydrophobicContact CG-CD1 4.23Å; M744-L748 WeakPolarHBondContact O-CB 3.33Å; M744-L748 WeakPolarHBondContact O-CG 3.4Å; M744-L748 PolarHBondContact O-N 3.41Å; H745-L748 PolarHBondContact O-N 3.29Å; L748-H751 WeakPolarHBondContact O-CB 3.32Å; L748-H751 PolarHBondContact O-N 2.77Å; L748-H751 VanDerWaalsContact O-N 3.15Å; L748-Y752 PolarHBondContact O-N 3.36Å |
| 749 | R | 92.1 | Very high | 92.3 | Very high | 172 Ų | 172 | 109.1 Ų | 109.1 | 65% | 0.649 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.5 | -44.2 | 177.1 | -158.8 | -178.8 | -59.7 | -162.2 | 1.2 | 111.1 | H745 S746 A747 H751 Y752 D753 | H745-R749 WeakPolarHBondContact O-CB 3.32Å; H745-R749 PolarHBondContact O-N 2.93Å; S746-R749 PolarHBondContact O-N 3.32Å; A747-R749 PolarHBondContact O-N 2.88Å; R749-H751 VanDerWaalsContact C-N 3.26Å; R749-H751 PolarHBondContact O-N 2.91Å; R749-Y752 WeakPolarHBondContact O-CB 3.47Å; R749-Y752 PolarHBondContact O-N 3.32Å; R749-Y752 VanDerWaalsContact O-N 3.17Å; R749-D753 PolarHBondContact O-N 2.9Å |
| 750 | G | 93.1 | Very high | 92.3 | Very high | 31 Ų | 31 | 108.2 Ų | 108.2 | 32% | 0.32 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.5 | -34.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | S746 A747 K754 | S746-G750 PolarHBondContact O-N 3.32Å; A747-G750 PolarHBondContact O-N 2.94Å; G750-K754 WeakPolarHBondContact O-CG 3.3Å; G750-K754 PolarHBondContact O-N 3.25Å; G750-K754 VanDerWaalsContact O-N 3.14Å |
| 751 | H | 92.4 | Very high | 92.3 | Very high | 129 Ų | 129 | 106.2 Ų | 106.2 | 60% | 0.597 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68.6 | -43.1 | 173.7 | -123.9 | -82.7 | 0 | 0 | 0 | 112.4 | A747 L748 R749 K754 M755 | A747-H751 PolarHBondContact O-N 3.06Å; L748-H751 WeakPolarHBondContact O-CB 3.32Å; L748-H751 PolarHBondContact O-N 2.77Å; L748-H751 VanDerWaalsContact O-N 3.15Å; R749-H751 VanDerWaalsContact C-N 3.26Å; R749-H751 PolarHBondContact O-N 2.91Å; H751-K754 PolarHBondContact O-N 3.33Å; H751-M755 WeakPolarHBondContact O-CB 3.31Å; H751-M755 PolarHBondContact O-N 3.26Å |
| 752 | Y | 93 | Very high | 92.5 | Very high | 156 Ų | 156 | 106.7 Ų | 106.7 | 61% | 0.612 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.1 | -45.1 | 176.3 | -176.4 | -93.5 | 0 | 0 | 0 | 111.5 | L748 R749 K754 M755 K756 | L748-Y752 PolarHBondContact O-N 3.36Å; R749-Y752 WeakPolarHBondContact O-CB 3.47Å; R749-Y752 PolarHBondContact O-N 3.32Å; R749-Y752 VanDerWaalsContact O-N 3.17Å; Y752-K754 PolarHBondContact O-N 3.03Å; Y752-M755 PolarHBondContact O-N 3.11Å; Y752-M755 VanDerWaalsContact O-N 3.17Å; Y752-K756 HydrophobicContact CE1-CD 4.41Å; Y752-K756 WeakPolarHBondContact O-CB 3.33Å; Y752-K756 PolarHBondContact O-N 2.9Å |
| 753 | D | 93.6 | Very high | 92.5 | Very high | 90 Ų | 90 | 101.1 Ų | 101.1 | 48% | 0.481 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.6 | -41.5 | 178.1 | -70.4 | -27.6 | 0 | 0 | 0 | 111.6 | R749 K756 A757 | R749-D753 PolarHBondContact O-N 2.9Å; D753-K756 PolarHBondContact O-N 3.37Å; D753-A757 WeakPolarHBondContact O-CB 3.5Å; D753-A757 PolarHBondContact O-N 3.44Å |
| 754 | K | 93.5 | Very high | 92.5 | Very high | 145 Ų | 145 | 99.3 Ų | 99.3 | 63% | 0.63 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.6 | -44.1 | 172.5 | -77.2 | 175.5 | -177 | 175 | 0 | 112.2 | G750 H751 Y752 A757 N758 | G750-K754 WeakPolarHBondContact O-CG 3.3Å; G750-K754 PolarHBondContact O-N 3.25Å; G750-K754 VanDerWaalsContact O-N 3.14Å; H751-K754 PolarHBondContact O-N 3.33Å; Y752-K754 PolarHBondContact O-N 3.03Å; K754-A757 PolarHBondContact O-N 3.06Å; K754-N758 WeakPolarHBondContact O-CB 3.44Å; K754-N758 VanDerWaalsContact O-CG 3.28Å; K754-N758 PolarHBondContact O-N 2.86Å; K754-N758 PolarHBondContact O-ND2 3.28Å |
| 755 | M | 93.3 | Very high | 92.5 | Very high | 121 Ų | 121 | 101.8 Ų | 101.8 | 60% | 0.596 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.2 | -42.4 | 179.2 | -173.7 | 176.6 | -72.8 | 0 | 0 | 111.3 | H751 Y752 N758 F759 | H751-M755 WeakPolarHBondContact O-CB 3.31Å; H751-M755 PolarHBondContact O-N 3.26Å; Y752-M755 PolarHBondContact O-N 3.11Å; Y752-M755 VanDerWaalsContact O-N 3.17Å; M755-N758 WeakPolarHBondContact O-CB 3.26Å; M755-N758 PolarHBondContact O-N 2.96Å; M755-F759 PolarHBondContact O-N 2.87Å |
| 756 | K | 94.2 | Very high | 92.5 | Very high | 103 Ų | 103 | 102.6 Ų | 102.6 | 45% | 0.448 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61 | -48.6 | 175.2 | -176.9 | 179.9 | 174 | -173.6 | 0 | 111.4 | Y752 D753 N758 F759 E760 | Y752-K756 HydrophobicContact CE1-CD 4.41Å; Y752-K756 WeakPolarHBondContact O-CB 3.33Å; Y752-K756 PolarHBondContact O-N 2.9Å; D753-K756 PolarHBondContact O-N 3.37Å; K756-N758 VanDerWaalsContact C-N 3.29Å; K756-N758 PolarHBondContact O-N 3.36Å; K756-F759 WeakPolarHBondContact O-CB 3.33Å; K756-F759 PolarHBondContact O-N 3.41Å; K756-E760 WeakPolarHBondContact CE-OE1 3.42Å; K756-E760 WeakPolarHBondContact O-CG 3.22Å; K756-E760 PolarHBondContact O-N 3.48Å |
| 757 | A | 93.4 | Very high | 92.5 | Very high | 51 Ų | 51 | 104.8 Ų | 104.8 | 42% | 0.421 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59.4 | -40 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | D753 K754 E760 A761 | D753-A757 WeakPolarHBondContact O-CB 3.5Å; D753-A757 PolarHBondContact O-N 3.44Å; K754-A757 PolarHBondContact O-N 3.06Å; A757-E760 PolarHBondContact O-N 2.91Å; A757-A761 VanDerWaalsContact O-CB 3.26Å; A757-A761 WeakPolarHBondContact O-CB 3.33Å; A757-A761 PolarHBondContact O-N 3.47Å |
| 758 | N | 92.4 | Very high | 92.5 | Very high | 109 Ų | 109 | 106.2 Ų | 106.2 | 58% | 0.583 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.6 | -41 | 173.7 | -74.7 | -18.1 | 0 | 0 | 0 | 112 | K754 M755 K756 A761 V762 | K754-N758 WeakPolarHBondContact O-CB 3.44Å; K754-N758 VanDerWaalsContact O-CG 3.28Å; K754-N758 PolarHBondContact O-N 2.86Å; K754-N758 PolarHBondContact O-ND2 3.28Å; M755-N758 WeakPolarHBondContact O-CB 3.26Å; M755-N758 PolarHBondContact O-N 2.96Å; K756-N758 VanDerWaalsContact C-N 3.29Å; K756-N758 PolarHBondContact O-N 3.36Å; N758-A761 PolarHBondContact O-N 2.83Å; N758-V762 WeakPolarHBondContact O-CB 3.21Å; N758-V762 VanDerWaalsContact O-CG2 3.25Å; N758-V762 WeakPolarHBondContact O-CG2 3.45Å; N758-V762 PolarHBondContact O-N 3.16Å |
| 759 | F | 92.1 | Very high | 92.4 | Very high | 161 Ų | 161 | 105.4 Ų | 105.4 | 71% | 0.706 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.7 | -43.1 | 178.4 | -140.9 | -81.6 | 0 | 0 | 0 | 111.6 | M755 K756 V762 S763 | M755-F759 PolarHBondContact O-N 2.87Å; K756-F759 WeakPolarHBondContact O-CB 3.33Å; K756-F759 PolarHBondContact O-N 3.41Å; F759-V762 PolarHBondContact O-N 3.49Å; F759-S763 VanDerWaalsContact O-CB 3.26Å; F759-S763 WeakPolarHBondContact O-CB 3.41Å; F759-S763 PolarHBondContact O-N 2.9Å |
| 760 | E | 93 | Very high | 92.3 | Very high | 107 Ų | 107 | 101.9 Ų | 101.9 | 50% | 0.5 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.7 | -42.8 | 174.1 | -71.3 | 173.7 | 180 | 0 | 0 | 111.2 | K756 A757 V762 S763 T764 | K756-E760 WeakPolarHBondContact CE-OE1 3.42Å; K756-E760 WeakPolarHBondContact O-CG 3.22Å; K756-E760 PolarHBondContact O-N 3.48Å; A757-E760 PolarHBondContact O-N 2.91Å; E760-V762 PolarHBondContact O-N 3.11Å; E760-S763 PolarHBondContact O-N 3.36Å; E760-T764 WeakPolarHBondContact O-CB 3.25Å; E760-T764 WeakPolarHBondContact O-CG2 3.42Å; E760-T764 PolarHBondContact O-N 3.43Å; E760-T764 PolarHBondContact O-OG1 2.88Å |
| 761 | A | 91.9 | Very high | 92.3 | Very high | 42 Ų | 42 | 105.5 Ų | 105.5 | 35% | 0.347 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.6 | -35.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | A757 N758 T764 K765 | A757-A761 VanDerWaalsContact O-CB 3.26Å; A757-A761 WeakPolarHBondContact O-CB 3.33Å; A757-A761 PolarHBondContact O-N 3.47Å; N758-A761 PolarHBondContact O-N 2.83Å; A761-T764 WeakPolarHBondContact CA-OG1 3.44Å; A761-T764 PolarHBondContact O-OG1 3.04Å; A761-K765 VanDerWaalsContact O-CG 3.3Å; A761-K765 WeakPolarHBondContact O-CG 3.37Å; A761-K765 PolarHBondContact O-N 3.09Å |
| 762 | V | 92.5 | Very high | 92.2 | Very high | 97 Ų | 97 | 103.1 Ų | 103.1 | 59% | 0.588 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -73.8 | -40.9 | 175 | 170.2 | 0 | 0 | 0 | 0 | 110.7 | N758 F759 E760 K765 L766 | N758-V762 WeakPolarHBondContact O-CB 3.21Å; N758-V762 VanDerWaalsContact O-CG2 3.25Å; N758-V762 WeakPolarHBondContact O-CG2 3.45Å; N758-V762 PolarHBondContact O-N 3.16Å; F759-V762 PolarHBondContact O-N 3.49Å; E760-V762 PolarHBondContact O-N 3.11Å; V762-K765 PolarHBondContact O-N 2.87Å; V762-L766 WeakPolarHBondContact O-CB 3.4Å; V762-L766 PolarHBondContact O-N 3.08Å |
| 763 | S | 91.1 | Very high | 92.1 | Very high | 58 Ų | 58 | 98.3 Ų | 98.3 | 41% | 0.406 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65 | -41.4 | 179.1 | -176.1 | 0 | 0 | 0 | 0 | 112.1 | F759 E760 L766 M767 | F759-S763 VanDerWaalsContact O-CB 3.26Å; F759-S763 WeakPolarHBondContact O-CB 3.41Å; F759-S763 PolarHBondContact O-N 2.9Å; E760-S763 PolarHBondContact O-N 3.36Å; S763-L766 WeakPolarHBondContact O-CB 3.31Å; S763-L766 PolarHBondContact O-N 2.83Å; S763-M767 WeakPolarHBondContact O-CG 3.25Å; S763-M767 PolarHBondContact O-N 2.93Å |
| 764 | T | 91.9 | Very high | 92.1 | Very high | 76 Ų | 76 | 99.4 Ų | 99.4 | 47% | 0.466 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.3 | -49.7 | 173.8 | 44.6 | 0 | 0 | 0 | 0 | 111.4 | E760 A761 L766 M767 D768 | E760-T764 WeakPolarHBondContact O-CB 3.25Å; E760-T764 WeakPolarHBondContact O-CG2 3.42Å; E760-T764 PolarHBondContact O-N 3.43Å; E760-T764 PolarHBondContact O-OG1 2.88Å; A761-T764 WeakPolarHBondContact CA-OG1 3.44Å; A761-T764 PolarHBondContact O-OG1 3.04Å; T764-L766 PolarHBondContact O-N 3.09Å; T764-M767 PolarHBondContact O-N 3.12Å; T764-M767 VanDerWaalsContact O-N 3.12Å; T764-D768 PolarHBondContact O-N 3.41Å |
| 765 | K | 91.1 | Very high | 92 | Very high | 144 Ų | 144 | 97.6 Ų | 97.6 | 63% | 0.626 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -56 | -39.9 | 173.6 | -76.2 | 177.3 | -179.2 | 180 | 0 | 112.6 | A761 V762 D768 T769 | A761-K765 VanDerWaalsContact O-CG 3.3Å; A761-K765 WeakPolarHBondContact O-CG 3.37Å; A761-K765 PolarHBondContact O-N 3.09Å; V762-K765 PolarHBondContact O-N 2.87Å; K765-D768 PolarHBondContact O-N 3.48Å; K765-T769 VanDerWaalsContact O-CG2 3.29Å; K765-T769 WeakPolarHBondContact O-CG2 3.31Å; K765-T769 PolarHBondContact O-N 3.03Å; K765-T769 PolarHBondContact O-OG1 2.92Å |
| 766 | L | 93 | Very high | 91.9 | Very high | 114 Ų | 114 | 98 Ų | 98 | 60% | 0.597 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.1 | -46.4 | 177.6 | -170.4 | 73.6 | 0 | 0 | 0 | 111 | V762 S763 T764 D768 T769 E770 | V762-L766 WeakPolarHBondContact O-CB 3.4Å; V762-L766 PolarHBondContact O-N 3.08Å; S763-L766 WeakPolarHBondContact O-CB 3.31Å; S763-L766 PolarHBondContact O-N 2.83Å; T764-L766 PolarHBondContact O-N 3.09Å; L766-D768 VanDerWaalsContact C-N 3.35Å; L766-D768 PolarHBondContact O-N 3.47Å; L766-T769 WeakPolarHBondContact CA-OG1 3.22Å; L766-T769 PolarHBondContact O-N 3.2Å; L766-T769 PolarHBondContact O-OG1 3.24Å; L766-E770 WeakPolarHBondContact O-CB 3.4Å; L766-E770 PolarHBondContact O-N 3.31Å |
| 767 | M | 90.8 | Very high | 91.8 | Very high | 126 Ų | 126 | 99.8 Ų | 99.8 | 62% | 0.621 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60 | -44 | 176.2 | -73.3 | -169 | 114.8 | 0 | 0 | 112 | S763 T764 T769 E770 E771 | S763-M767 WeakPolarHBondContact O-CG 3.25Å; S763-M767 PolarHBondContact O-N 2.93Å; T764-M767 PolarHBondContact O-N 3.12Å; T764-M767 VanDerWaalsContact O-N 3.12Å; M767-T769 VanDerWaalsContact C-N 3.35Å; M767-T769 PolarHBondContact O-N 3.49Å; M767-E770 PolarHBondContact O-N 3.34Å; M767-E771 WeakPolarHBondContact O-CB 3.39Å; M767-E771 PolarHBondContact O-N 2.99Å |
| 768 | D | 92 | Very high | 91.7 | Very high | 96 Ų | 96 | 104.6 Ų | 104.6 | 51% | 0.513 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.6 | -46.6 | 176.8 | -67.1 | -20.9 | 0 | 0 | 0 | 110.9 | T764 K765 L766 E770 E771 D772 | T764-D768 PolarHBondContact O-N 3.41Å; K765-D768 PolarHBondContact O-N 3.48Å; L766-D768 VanDerWaalsContact C-N 3.35Å; L766-D768 PolarHBondContact O-N 3.47Å; D768-E770 VanDerWaalsContact C-N 3.34Å; D768-E770 PolarHBondContact O-N 3.44Å; D768-E771 PolarHBondContact O-N 2.82Å; D768-D772 WeakPolarHBondContact O-CB 3.45Å; D768-D772 PolarHBondContact O-N 2.93Å |
| 769 | T | 89.5 | Confident | 91.7 | Very high | 85 Ų | 85 | 104.1 Ų | 104.1 | 52% | 0.521 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.8 | -34.2 | 177.6 | 59.3 | 0 | 0 | 0 | 0 | 113.1 | K765 L766 M767 A773 | K765-T769 VanDerWaalsContact O-CG2 3.29Å; K765-T769 WeakPolarHBondContact O-CG2 3.31Å; K765-T769 PolarHBondContact O-N 3.03Å; K765-T769 PolarHBondContact O-OG1 2.92Å; L766-T769 WeakPolarHBondContact CA-OG1 3.22Å; L766-T769 PolarHBondContact O-N 3.2Å; L766-T769 PolarHBondContact O-OG1 3.24Å; M767-T769 VanDerWaalsContact C-N 3.35Å; M767-T769 PolarHBondContact O-N 3.49Å; T769-A773 WeakPolarHBondContact O-CB 3.43Å; T769-A773 PolarHBondContact O-N 2.71Å |
| 770 | E | 91.6 | Very high | 91.7 | Very high | 98 Ų | 98 | 101.2 Ų | 101.2 | 46% | 0.458 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69.2 | -39.5 | 175.4 | -164 | -162.2 | 153.2 | 0 | 0 | 111.1 | L766 M767 D768 A773 K774 | L766-E770 WeakPolarHBondContact O-CB 3.4Å; L766-E770 PolarHBondContact O-N 3.31Å; M767-E770 PolarHBondContact O-N 3.34Å; D768-E770 VanDerWaalsContact C-N 3.34Å; D768-E770 PolarHBondContact O-N 3.44Å; E770-A773 PolarHBondContact O-N 3.04Å; E770-K774 WeakPolarHBondContact O-CG 3.49Å; E770-K774 PolarHBondContact O-N 2.89Å; E770-K774 WeakPolarHBondContact OE1-CE 3.31Å; E770-K774 IonicContact OE1-NZ 2.86Å; E770-K774 PolarHBondContact OE1-NZ 2.85Å |
| 771 | E | 91.6 | Very high | 91.6 | Very high | 107 Ų | 107 | 102.5 Ų | 102.5 | 50% | 0.5 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.3 | -41.8 | 176.7 | -156.4 | -170.3 | -139.6 | 0 | 0 | 111.4 | M767 D768 A773 K774 K775 | M767-E771 WeakPolarHBondContact O-CB 3.39Å; M767-E771 PolarHBondContact O-N 2.99Å; D768-E771 PolarHBondContact O-N 2.82Å; E771-A773 VanDerWaalsContact C-N 3.35Å; E771-K774 WeakPolarHBondContact O-CB 3.38Å; E771-K774 PolarHBondContact O-N 3.3Å; E771-K775 WeakPolarHBondContact O-CG 3.36Å; E771-K775 PolarHBondContact O-N 2.86Å; E771-K775 WeakPolarHBondContact OE2-CE 3.22Å; E771-K775 IonicContact OE2-NZ 3.83Å; E771-K775 PolarHBondContact OE2-NZ 3.08Å |
| 772 | D | 91.3 | Very high | 91.5 | Very high | 80 Ų | 80 | 106.1 Ų | 106.1 | 43% | 0.428 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.9 | -39.6 | 173.6 | -76.2 | -12.5 | 0 | 0 | 0 | 111.9 | D768 K774 K775 Q776 | D768-D772 WeakPolarHBondContact O-CB 3.45Å; D768-D772 PolarHBondContact O-N 2.93Å; D772-K774 VanDerWaalsContact C-N 3.33Å; D772-K774 PolarHBondContact O-N 3.14Å; D772-K775 PolarHBondContact O-N 2.89Å; D772-K775 IonicContact OD1-NZ 3.93Å; D772-K775 PolarHBondContact OD1-NZ 2.59Å; D772-Q776 WeakPolarHBondContact O-CB 3.31Å; D772-Q776 WeakPolarHBondContact O-CG 3.19Å; D772-Q776 PolarHBondContact O-N 3.29Å |
| 773 | A | 91.1 | Very high | 91.4 | Very high | 55 Ų | 55 | 106.7 Ų | 106.7 | 46% | 0.455 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.2 | -39.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | T769 E770 E771 Q776 K777 | T769-A773 WeakPolarHBondContact O-CB 3.43Å; T769-A773 PolarHBondContact O-N 2.71Å; E770-A773 PolarHBondContact O-N 3.04Å; E771-A773 VanDerWaalsContact C-N 3.35Å; A773-Q776 PolarHBondContact O-N 3.36Å; A773-K777 VanDerWaalsContact O-CB 3.31Å; A773-K777 WeakPolarHBondContact O-CB 3.29Å; A773-K777 PolarHBondContact O-N 3.25Å |
| 774 | K | 92.5 | Very high | 91.4 | Very high | 113 Ų | 113 | 107.7 Ų | 107.7 | 49% | 0.491 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.8 | -42.8 | 173.9 | -75.8 | 170.4 | -174.1 | 161.4 | 0 | 111.7 | E770 E771 D772 K777 K778 | E770-K774 WeakPolarHBondContact O-CG 3.49Å; E770-K774 PolarHBondContact O-N 2.89Å; E770-K774 WeakPolarHBondContact OE1-CE 3.31Å; E770-K774 IonicContact OE1-NZ 2.86Å; E770-K774 PolarHBondContact OE1-NZ 2.85Å; E771-K774 WeakPolarHBondContact O-CB 3.38Å; E771-K774 PolarHBondContact O-N 3.3Å; D772-K774 VanDerWaalsContact C-N 3.33Å; D772-K774 PolarHBondContact O-N 3.14Å; K774-K777 PolarHBondContact O-N 3.4Å; K774-K778 WeakPolarHBondContact O-CG 3.46Å; K774-K778 PolarHBondContact O-N 3.37Å |
| 775 | K | 92.4 | Very high | 91.4 | Very high | 106 Ų | 106 | 107.5 Ų | 107.5 | 46% | 0.461 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.9 | -48.3 | 175.2 | -71.3 | 169.2 | -165.8 | 151.5 | 0 | 110.6 | E771 D772 K777 K778 L779 | E771-K775 WeakPolarHBondContact O-CG 3.36Å; E771-K775 PolarHBondContact O-N 2.86Å; E771-K775 WeakPolarHBondContact OE2-CE 3.22Å; E771-K775 IonicContact OE2-NZ 3.83Å; E771-K775 PolarHBondContact OE2-NZ 3.08Å; D772-K775 PolarHBondContact O-N 2.89Å; D772-K775 IonicContact OD1-NZ 3.93Å; D772-K775 PolarHBondContact OD1-NZ 2.59Å; K775-K777 PolarHBondContact O-N 3.48Å; K775-K778 PolarHBondContact O-N 3.41Å; K775-L779 PolarHBondContact O-N 3.22Å |
| 776 | Q | 91 | Very high | 91.3 | Very high | 130 Ų | 130 | 105 Ų | 105 | 61% | 0.607 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.8 | -42.3 | 176.4 | -73.3 | -171.9 | 4.4 | 0 | 0 | 112 | D772 A773 K778 L779 I780 | D772-Q776 WeakPolarHBondContact O-CB 3.31Å; D772-Q776 WeakPolarHBondContact O-CG 3.19Å; D772-Q776 PolarHBondContact O-N 3.29Å; A773-Q776 PolarHBondContact O-N 3.36Å; Q776-K778 PolarHBondContact O-N 3.05Å; Q776-L779 PolarHBondContact O-N 3.15Å; Q776-I780 WeakPolarHBondContact O-CB 3.4Å; Q776-I780 VanDerWaalsContact O-CG1 3.29Å; Q776-I780 WeakPolarHBondContact O-CG1 3.4Å; Q776-I780 PolarHBondContact O-N 3.29Å |
| 777 | K | 92.1 | Very high | 91.1 | Very high | 140 Ų | 140 | 105.3 Ų | 105.3 | 61% | 0.609 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.2 | -39.1 | 176.6 | -170.8 | 173.7 | -176.4 | 173.3 | 0 | 112.5 | A773 K774 K775 K781 | A773-K777 VanDerWaalsContact O-CB 3.31Å; A773-K777 WeakPolarHBondContact O-CB 3.29Å; A773-K777 PolarHBondContact O-N 3.25Å; K774-K777 PolarHBondContact O-N 3.4Å; K775-K777 PolarHBondContact O-N 3.48Å; K777-K781 WeakPolarHBondContact O-CG 3.35Å; K777-K781 PolarHBondContact O-N 3.41Å |
| 778 | K | 91.2 | Very high | 91 | Very high | 152 Ų | 152 | 105 Ų | 105 | 66% | 0.661 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.7 | -45.4 | 173.4 | -76.3 | -179.3 | 179.5 | 179.5 | 0 | 111.4 | K774 K775 Q776 I780 K781 Q782 | K774-K778 WeakPolarHBondContact O-CG 3.46Å; K774-K778 PolarHBondContact O-N 3.37Å; K775-K778 PolarHBondContact O-N 3.41Å; Q776-K778 PolarHBondContact O-N 3.05Å; K778-I780 PolarHBondContact O-N 3.22Å; K778-K781 PolarHBondContact O-N 2.93Å; K778-Q782 PolarHBondContact O-N 2.98Å |
| 779 | L | 92.4 | Very high | 90.9 | Very high | 100 Ų | 100 | 106.3 Ų | 106.3 | 52% | 0.524 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.3 | -43.4 | 178.1 | -174.3 | 66.8 | 0 | 0 | 0 | 111.7 | K775 Q776 K781 Q782 K783 | K775-L779 PolarHBondContact O-N 3.22Å; Q776-L779 PolarHBondContact O-N 3.15Å; L779-K781 PolarHBondContact O-N 3.25Å; L779-Q782 PolarHBondContact O-N 3.25Å; L779-K783 WeakPolarHBondContact O-CB 3.4Å; L779-K783 WeakPolarHBondContact O-CG 3.27Å; L779-K783 PolarHBondContact O-N 3.37Å |
| 780 | I | 91 | Very high | 90.8 | Very high | 99 Ų | 99 | 108.7 Ų | 108.7 | 51% | 0.508 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.7 | -44 | 175.3 | -70.9 | 167.8 | 0 | 0 | 0 | 110.8 | Q776 K778 Q782 K783 I784 | Q776-I780 WeakPolarHBondContact O-CB 3.4Å; Q776-I780 VanDerWaalsContact O-CG1 3.29Å; Q776-I780 WeakPolarHBondContact O-CG1 3.4Å; Q776-I780 PolarHBondContact O-N 3.29Å; K778-I780 PolarHBondContact O-N 3.22Å; I780-Q782 PolarHBondContact O-N 3.38Å; I780-K783 WeakPolarHBondContact O-CB 3.19Å; I780-K783 PolarHBondContact O-N 2.94Å; I780-I784 HydrophobicContact CG2-CD1 3.85Å; I780-I784 HydrophobicContact CG2-CG1 4.43Å; I780-I784 VanDerWaalsContact O-CG1 3.3Å; I780-I784 WeakPolarHBondContact O-CG1 3.45Å; I780-I784 PolarHBondContact O-N 3.2Å |
| 781 | K | 90.6 | Very high | 90.6 | Very high | 134 Ų | 134 | 106.4 Ų | 106.4 | 58% | 0.583 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.4 | -43.4 | 176.4 | -78 | -176.1 | 174.6 | -167 | 0 | 112.3 | K777 K778 L779 I784 V785 | K777-K781 WeakPolarHBondContact O-CG 3.35Å; K777-K781 PolarHBondContact O-N 3.41Å; K778-K781 PolarHBondContact O-N 2.93Å; L779-K781 PolarHBondContact O-N 3.25Å; K781-I784 PolarHBondContact O-N 2.97Å; K781-V785 WeakPolarHBondContact O-CG2 3.5Å; K781-V785 PolarHBondContact O-N 3.22Å; K781-V785 VanDerWaalsContact O-N 3.08Å |
| 782 | Q | 91.1 | Very high | 90.5 | Very high | 118 Ų | 118 | 106.6 Ų | 106.6 | 55% | 0.551 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.8 | -45.9 | 174.5 | -75.5 | 175.2 | -27 | 0 | 0 | 111.2 | K778 L779 I780 I784 V785 E786 | K778-Q782 PolarHBondContact O-N 2.98Å; L779-Q782 PolarHBondContact O-N 3.25Å; I780-Q782 PolarHBondContact O-N 3.38Å; Q782-I784 VanDerWaalsContact C-N 3.28Å; Q782-I784 PolarHBondContact O-N 3.34Å; Q782-V785 PolarHBondContact O-N 3Å; Q782-E786 WeakPolarHBondContact O-CG 3.41Å; Q782-E786 PolarHBondContact O-N 2.86Å |
| 783 | K | 90.7 | Very high | 90.3 | Very high | 109 Ų | 109 | 104.8 Ų | 104.8 | 47% | 0.474 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58.9 | -36.8 | 175.6 | -78.4 | -79.6 | 165.5 | -144.1 | 0 | 113.1 | L779 I780 E786 L787 | L779-K783 WeakPolarHBondContact O-CB 3.4Å; L779-K783 WeakPolarHBondContact O-CG 3.27Å; L779-K783 PolarHBondContact O-N 3.37Å; I780-K783 WeakPolarHBondContact O-CB 3.19Å; I780-K783 PolarHBondContact O-N 2.94Å; K783-E786 IonicContact NZ-OE2 2.9Å; K783-E786 PolarHBondContact NZ-OE2 3.48Å; K783-L787 WeakPolarHBondContact O-CB 3.45Å; K783-L787 VanDerWaalsContact O-CG 3.22Å; K783-L787 WeakPolarHBondContact O-CG 3.43Å; K783-L787 PolarHBondContact O-N 2.87Å |
| 784 | I | 91.6 | Very high | 90.2 | Very high | 80 Ų | 80 | 110.3 Ų | 110.3 | 41% | 0.41 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.2 | -46.8 | 175.7 | -71.1 | 165.5 | 0 | 0 | 0 | 110.4 | I780 K781 Q782 L787 E788 | I780-I784 HydrophobicContact CG2-CD1 3.85Å; I780-I784 HydrophobicContact CG2-CG1 4.43Å; I780-I784 VanDerWaalsContact O-CG1 3.3Å; I780-I784 WeakPolarHBondContact O-CG1 3.45Å; I780-I784 PolarHBondContact O-N 3.2Å; K781-I784 PolarHBondContact O-N 2.97Å; Q782-I784 VanDerWaalsContact C-N 3.28Å; Q782-I784 PolarHBondContact O-N 3.34Å; I784-L787 WeakPolarHBondContact O-CB 3.21Å; I784-L787 PolarHBondContact O-N 3.32Å; I784-L787 VanDerWaalsContact O-N 3.17Å; I784-E788 HydrophobicContact CG2-CG 4.49Å; I784-E788 WeakPolarHBondContact O-CG 3.33Å; I784-E788 PolarHBondContact O-N 3.3Å |
| 785 | V | 91.2 | Very high | 90 | Very high | 72 Ų | 72 | 112 Ų | 112 | 44% | 0.436 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.1 | -45.7 | 176.8 | 175.7 | 0 | 0 | 0 | 0 | 111 | K781 Q782 L787 E788 E789 | K781-V785 WeakPolarHBondContact O-CG2 3.5Å; K781-V785 PolarHBondContact O-N 3.22Å; K781-V785 VanDerWaalsContact O-N 3.08Å; Q782-V785 PolarHBondContact O-N 3Å; V785-L787 VanDerWaalsContact C-N 3.27Å; V785-L787 PolarHBondContact O-N 2.85Å; V785-E788 PolarHBondContact O-N 3.38Å; V785-E788 VanDerWaalsContact O-N 3.16Å; V785-E789 HydrophobicContact CG1-CG 4.46Å; V785-E789 WeakPolarHBondContact O-CG 3.39Å; V785-E789 PolarHBondContact O-N 3.42Å |
| 786 | E | 89.5 | Confident | 89.7 | Confident | 92 Ų | 92 | 115.7 Ų | 115.7 | 43% | 0.43 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -55.7 | -42.5 | 173.7 | -74.7 | 175.5 | -176.5 | 0 | 0 | 111.5 | Q782 K783 M790 | Q782-E786 WeakPolarHBondContact O-CG 3.41Å; Q782-E786 PolarHBondContact O-N 2.86Å; K783-E786 IonicContact NZ-OE2 2.9Å; K783-E786 PolarHBondContact NZ-OE2 3.48Å; E786-M790 VanDerWaalsContact O-CB 3.27Å; E786-M790 WeakPolarHBondContact O-CB 3.12Å; E786-M790 WeakPolarHBondContact O-CG 3.31Å; E786-M790 PolarHBondContact O-N 3.46Å |
| 787 | L | 87.6 | Confident | 89.5 | Confident | 120 Ų | 120 | 115.2 Ų | 115.2 | 63% | 0.628 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -68.2 | -38.1 | 178 | -79.1 | 168.5 | 0 | 0 | 0 | 112.5 | K783 I784 V785 A791 | K783-L787 WeakPolarHBondContact O-CB 3.45Å; K783-L787 VanDerWaalsContact O-CG 3.22Å; K783-L787 WeakPolarHBondContact O-CG 3.43Å; K783-L787 PolarHBondContact O-N 2.87Å; I784-L787 WeakPolarHBondContact O-CB 3.21Å; I784-L787 PolarHBondContact O-N 3.32Å; I784-L787 VanDerWaalsContact O-N 3.17Å; V785-L787 VanDerWaalsContact C-N 3.27Å; V785-L787 PolarHBondContact O-N 2.85Å; L787-A791 VanDerWaalsContact O-CB 3.23Å; L787-A791 WeakPolarHBondContact O-CB 3.39Å; L787-A791 PolarHBondContact O-N 3.08Å |
| 788 | E | 89.2 | Confident | 89.3 | Confident | 118 Ų | 118 | 112.4 Ų | 112.4 | 55% | 0.551 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.4 | -46.5 | 175.6 | -74.2 | 174.4 | 168.5 | 0 | 0 | 111.1 | I784 V785 M790 A791 E792 | I784-E788 HydrophobicContact CG2-CG 4.49Å; I784-E788 WeakPolarHBondContact O-CG 3.33Å; I784-E788 PolarHBondContact O-N 3.3Å; V785-E788 PolarHBondContact O-N 3.38Å; V785-E788 VanDerWaalsContact O-N 3.16Å; E788-M790 PolarHBondContact O-N 3.29Å; E788-A791 WeakPolarHBondContact O-CB 3.42Å; E788-A791 PolarHBondContact O-N 3.36Å; E788-E792 PolarHBondContact O-N 3.45Å |
| 789 | E | 88.9 | Confident | 89.2 | Confident | 124 Ų | 124 | 110 Ų | 110 | 58% | 0.579 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.7 | -44.7 | 174.6 | -72.6 | -179.3 | 172.2 | 0 | 0 | 111.6 | V785 A791 E792 A793 | V785-E789 HydrophobicContact CG1-CG 4.46Å; V785-E789 WeakPolarHBondContact O-CG 3.39Å; V785-E789 PolarHBondContact O-N 3.42Å; E789-A791 VanDerWaalsContact C-N 3.32Å; E789-A791 PolarHBondContact O-N 3.48Å; E789-E792 PolarHBondContact O-N 2.9Å; E789-A793 VanDerWaalsContact O-CB 3.32Å; E789-A793 WeakPolarHBondContact O-CB 3.47Å; E789-A793 PolarHBondContact O-N 3.14Å |
| 790 | M | 87.7 | Confident | 89 | Confident | 135 Ų | 135 | 109.3 Ų | 109.3 | 67% | 0.665 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.5 | -35.2 | 176.3 | -72.2 | -71.3 | -85 | 0 | 0 | 111.9 | E786 E788 R794 | E786-M790 VanDerWaalsContact O-CB 3.27Å; E786-M790 WeakPolarHBondContact O-CB 3.12Å; E786-M790 WeakPolarHBondContact O-CG 3.31Å; E786-M790 PolarHBondContact O-N 3.46Å; E788-M790 PolarHBondContact O-N 3.29Å; M790-R794 WeakPolarHBondContact O-CB 3.32Å; M790-R794 PolarHBondContact O-N 3.38Å |
| 791 | A | 89 | Confident | 88.7 | Confident | 50 Ų | 50 | 107.8 Ų | 107.8 | 41% | 0.413 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -68.7 | -39.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | L787 E788 E789 R794 K795 | L787-A791 VanDerWaalsContact O-CB 3.23Å; L787-A791 WeakPolarHBondContact O-CB 3.39Å; L787-A791 PolarHBondContact O-N 3.08Å; E788-A791 WeakPolarHBondContact O-CB 3.42Å; E788-A791 PolarHBondContact O-N 3.36Å; E789-A791 VanDerWaalsContact C-N 3.32Å; E789-A791 PolarHBondContact O-N 3.48Å; A791-R794 PolarHBondContact O-N 3.11Å; A791-K795 WeakPolarHBondContact O-CG 3.15Å; A791-K795 PolarHBondContact O-N 3.19Å |
| 792 | E | 87.6 | Confident | 88.5 | Confident | 112 Ų | 112 | 109.7 Ų | 109.7 | 52% | 0.523 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.3 | -44.6 | 173.1 | -76 | -173.1 | 173.3 | 0 | 0 | 112.2 | E788 E789 R794 K795 R796 | E788-E792 PolarHBondContact O-N 3.45Å; E789-E792 PolarHBondContact O-N 2.9Å; E792-R794 VanDerWaalsContact C-N 3.26Å; E792-R794 PolarHBondContact O-N 3.47Å; E792-K795 PolarHBondContact O-N 2.91Å; E792-R796 WeakPolarHBondContact O-CG 3.42Å; E792-R796 PolarHBondContact O-N 2.87Å |
| 793 | A | 87.9 | Confident | 88.3 | Confident | 42 Ų | 42 | 108.2 Ų | 108.2 | 35% | 0.347 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.4 | -41.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111 | E789 R796 L797 | E789-A793 VanDerWaalsContact O-CB 3.32Å; E789-A793 WeakPolarHBondContact O-CB 3.47Å; E789-A793 PolarHBondContact O-N 3.14Å; A793-R796 PolarHBondContact O-N 2.99Å; A793-L797 WeakPolarHBondContact O-CB 3.38Å; A793-L797 PolarHBondContact O-N 3.25Å |
| 794 | R | 88.3 | Confident | 88.1 | Confident | 170 Ų | 170 | 107.6 Ų | 107.6 | 64% | 0.642 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.4 | -43.2 | 174.6 | -169.1 | 175.4 | -171.7 | -140.3 | -0.9 | 112.3 | M790 A791 E792 R796 L797 E798 | M790-R794 WeakPolarHBondContact O-CB 3.32Å; M790-R794 PolarHBondContact O-N 3.38Å; A791-R794 PolarHBondContact O-N 3.11Å; E792-R794 VanDerWaalsContact C-N 3.26Å; E792-R794 PolarHBondContact O-N 3.47Å; R794-R796 VanDerWaalsContact C-N 3.35Å; R794-R796 PolarHBondContact O-N 3.35Å; R794-L797 PolarHBondContact O-N 2.95Å; R794-E798 IonicContact CZ-OE1 3.14Å; R794-E798 IonicContact NE-OE1 2.85Å; R794-E798 WeakPolarHBondContact O-CB 3.29Å; R794-E798 WeakPolarHBondContact O-CG 3.45Å; R794-E798 PolarHBondContact O-N 3.47Å |
| 795 | K | 88.7 | Confident | 87.9 | Confident | 150 Ų | 150 | 108.7 Ų | 108.7 | 65% | 0.652 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61 | -42 | 174 | -78.9 | 178.4 | -178.4 | 173.8 | 0 | 112 | A791 E792 E798 L799 | A791-K795 WeakPolarHBondContact O-CG 3.15Å; A791-K795 PolarHBondContact O-N 3.19Å; E792-K795 PolarHBondContact O-N 2.91Å; K795-E798 PolarHBondContact O-N 3.4Å; K795-L799 WeakPolarHBondContact O-CB 3.27Å; K795-L799 PolarHBondContact O-N 2.79Å |
| 796 | R | 87.3 | Confident | 87.6 | Confident | 182 Ų | 182 | 107.9 Ų | 107.9 | 69% | 0.687 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.8 | -46.6 | 175.6 | -70.6 | 179.4 | -170 | 176.4 | 7.3 | 111 | E792 A793 R794 E798 L799 D800 | E792-R796 WeakPolarHBondContact O-CG 3.42Å; E792-R796 PolarHBondContact O-N 2.87Å; A793-R796 PolarHBondContact O-N 2.99Å; R794-R796 VanDerWaalsContact C-N 3.35Å; R794-R796 PolarHBondContact O-N 3.35Å; R796-E798 VanDerWaalsContact C-N 3.35Å; R796-E798 PolarHBondContact O-N 3.2Å; R796-L799 PolarHBondContact O-N 3.3Å; R796-D800 WeakPolarHBondContact O-CB 3.21Å; R796-D800 PolarHBondContact O-N 3.36Å |
| 797 | L | 86.3 | Confident | 87.5 | Confident | 121 Ų | 121 | 109.8 Ų | 109.8 | 63% | 0.634 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.4 | -40 | 175.3 | -85.8 | 163.3 | 0 | 0 | 0 | 112.6 | A793 R794 S801 | A793-L797 WeakPolarHBondContact O-CB 3.38Å; A793-L797 PolarHBondContact O-N 3.25Å; R794-L797 PolarHBondContact O-N 2.95Å; L797-S801 WeakPolarHBondContact O-CB 3.48Å; L797-S801 PolarHBondContact O-N 3.24Å |
| 798 | E | 87.6 | Confident | 87.5 | Confident | 81 Ų | 81 | 111.1 Ų | 111.1 | 38% | 0.379 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.8 | -38.5 | 175.2 | -79.1 | 179.8 | -172.7 | 0 | 0 | 112 | R794 K795 R796 R802 | R794-E798 IonicContact CZ-OE1 3.14Å; R794-E798 IonicContact NE-OE1 2.85Å; R794-E798 WeakPolarHBondContact O-CB 3.29Å; R794-E798 WeakPolarHBondContact O-CG 3.45Å; R794-E798 PolarHBondContact O-N 3.47Å; K795-E798 PolarHBondContact O-N 3.4Å; R796-E798 VanDerWaalsContact C-N 3.35Å; R796-E798 PolarHBondContact O-N 3.2Å; E798-R802 WeakPolarHBondContact O-CB 3.25Å; E798-R802 VanDerWaalsContact O-CG 3.29Å; E798-R802 WeakPolarHBondContact O-CG 3.28Å; E798-R802 PolarHBondContact O-N 3.28Å |
| 799 | L | 88.1 | Confident | 87.4 | Confident | 100 Ų | 100 | 110.2 Ų | 110.2 | 52% | 0.524 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69.1 | -45.9 | 177.6 | -157.8 | 149.9 | 0 | 0 | 0 | 110.9 | K795 R796 S801 R802 E803 | K795-L799 WeakPolarHBondContact O-CB 3.27Å; K795-L799 PolarHBondContact O-N 2.79Å; R796-L799 PolarHBondContact O-N 3.3Å; L799-S801 PolarHBondContact O-N 2.86Å; L799-R802 WeakPolarHBondContact O-CB 3.39Å; L799-R802 PolarHBondContact O-N 3.4Å; L799-E803 HydrophobicContact CD2-CG 4.29Å; L799-E803 WeakPolarHBondContact CD2-OE1 3.25Å; L799-E803 PolarHBondContact O-N 2.95Å |
| 800 | D | 88.7 | Confident | 87.3 | Confident | 87 Ų | 87 | 110.2 Ų | 110.2 | 47% | 0.465 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.6 | -41.1 | 176.2 | -152.5 | 35.7 | 0 | 0 | 0 | 110.8 | R796 R802 E803 Q804 | R796-D800 WeakPolarHBondContact O-CB 3.21Å; R796-D800 PolarHBondContact O-N 3.36Å; D800-R802 PolarHBondContact O-N 3.42Å; D800-E803 PolarHBondContact O-N 2.73Å; D800-Q804 WeakPolarHBondContact O-CB 3.36Å; D800-Q804 WeakPolarHBondContact O-CG 3.31Å; D800-Q804 PolarHBondContact O-N 2.85Å |
| 801 | S | 86.1 | Confident | 87.2 | Confident | 66 Ų | 66 | 108.8 Ų | 108.8 | 46% | 0.462 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62 | -39.7 | 172.8 | -177.3 | 0 | 0 | 0 | 0 | 112.4 | L797 L799 N805 | L797-S801 WeakPolarHBondContact O-CB 3.48Å; L797-S801 PolarHBondContact O-N 3.24Å; L799-S801 PolarHBondContact O-N 2.86Å; S801-N805 VanDerWaalsContact O-CB 3.31Å; S801-N805 WeakPolarHBondContact O-CB 3.32Å; S801-N805 PolarHBondContact O-N 2.83Å |
| 802 | R | 85.2 | Confident | 87.2 | Confident | 175 Ų | 175 | 109.5 Ų | 109.5 | 66% | 0.66 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.8 | -43.2 | 173.7 | -77.6 | 176.3 | -170.9 | 164.7 | 7.4 | 112 | E798 L799 D800 N805 S806 | E798-R802 WeakPolarHBondContact O-CB 3.25Å; E798-R802 VanDerWaalsContact O-CG 3.29Å; E798-R802 WeakPolarHBondContact O-CG 3.28Å; E798-R802 PolarHBondContact O-N 3.28Å; L799-R802 WeakPolarHBondContact O-CB 3.39Å; L799-R802 PolarHBondContact O-N 3.4Å; D800-R802 PolarHBondContact O-N 3.42Å; R802-N805 PolarHBondContact O-N 3.15Å; R802-S806 PolarHBondContact O-N 3.33Å |
| 803 | E | 86.8 | Confident | 87 | Confident | 86 Ų | 86 | 108.5 Ų | 108.5 | 40% | 0.402 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.5 | -46.9 | 175.2 | -75.9 | -171.7 | -173.3 | 0 | 0 | 111.4 | L799 D800 N805 S806 R807 | L799-E803 HydrophobicContact CD2-CG 4.29Å; L799-E803 WeakPolarHBondContact CD2-OE1 3.25Å; L799-E803 PolarHBondContact O-N 2.95Å; D800-E803 PolarHBondContact O-N 2.73Å; E803-N805 VanDerWaalsContact C-N 3.34Å; E803-N805 PolarHBondContact O-N 3.49Å; E803-S806 WeakPolarHBondContact O-CB 3.49Å; E803-S806 PolarHBondContact O-N 3.35Å; E803-S806 VanDerWaalsContact O-N 3.14Å; E803-S806 PolarHBondContact O-OG 2.93Å; E803-R807 PolarHBondContact O-N 3.38Å |
| 804 | Q | 87.5 | Confident | 87 | Confident | 96 Ų | 96 | 111.2 Ų | 111.2 | 45% | 0.449 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.3 | -42 | 174.9 | -69.6 | -66.3 | -14 | 0 | 0 | 111.7 | D800 S806 R807 Y808 | D800-Q804 WeakPolarHBondContact O-CB 3.36Å; D800-Q804 WeakPolarHBondContact O-CG 3.31Å; D800-Q804 PolarHBondContact O-N 2.85Å; Q804-S806 VanDerWaalsContact C-N 3.34Å; Q804-S806 PolarHBondContact O-N 3.36Å; Q804-R807 PolarHBondContact O-N 2.8Å; Q804-Y808 VanDerWaalsContact O-CB 3.26Å; Q804-Y808 WeakPolarHBondContact O-CB 3.43Å; Q804-Y808 PolarHBondContact O-N 3.39Å |
| 805 | N | 86.7 | Confident | 86.9 | Confident | 103 Ų | 103 | 107.6 Ų | 107.6 | 55% | 0.551 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.7 | -38.6 | 174.1 | -87.7 | -17.7 | 0 | 0 | 0 | 112.2 | S801 R802 E803 Y808 L809 | S801-N805 VanDerWaalsContact O-CB 3.31Å; S801-N805 WeakPolarHBondContact O-CB 3.32Å; S801-N805 PolarHBondContact O-N 2.83Å; R802-N805 PolarHBondContact O-N 3.15Å; E803-N805 VanDerWaalsContact C-N 3.34Å; E803-N805 PolarHBondContact O-N 3.49Å; N805-Y808 PolarHBondContact O-N 2.91Å; N805-L809 WeakPolarHBondContact O-CB 3.33Å; N805-L809 PolarHBondContact O-N 3.01Å |
| 806 | S | 84.3 | Confident | 86.7 | Confident | 56 Ų | 56 | 105.8 Ų | 105.8 | 39% | 0.392 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65 | -41.1 | 175.1 | 80.3 | 0 | 0 | 0 | 0 | 112 | R802 E803 Q804 L809 Q810 | R802-S806 PolarHBondContact O-N 3.33Å; E803-S806 WeakPolarHBondContact O-CB 3.49Å; E803-S806 PolarHBondContact O-N 3.35Å; E803-S806 VanDerWaalsContact O-N 3.14Å; E803-S806 PolarHBondContact O-OG 2.93Å; Q804-S806 VanDerWaalsContact C-N 3.34Å; Q804-S806 PolarHBondContact O-N 3.36Å; S806-L809 PolarHBondContact O-N 2.91Å; S806-Q810 WeakPolarHBondContact O-CB 3.24Å; S806-Q810 VanDerWaalsContact O-CG 3.31Å; S806-Q810 WeakPolarHBondContact O-CG 3.34Å; S806-Q810 PolarHBondContact O-N 3.38Å |
| 807 | R | 88.6 | Confident | 86.7 | Confident | 132 Ų | 132 | 103.7 Ų | 103.7 | 50% | 0.498 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.1 | -41.4 | 175.4 | -76.5 | -177.4 | -178 | 168.9 | 5.7 | 110.9 | E803 Q804 Q810 L811 | E803-R807 PolarHBondContact O-N 3.38Å; Q804-R807 PolarHBondContact O-N 2.8Å; R807-Q810 PolarHBondContact O-N 2.9Å; R807-L811 VanDerWaalsContact O-CB 3.28Å; R807-L811 WeakPolarHBondContact O-CB 3.45Å; R807-L811 WeakPolarHBondContact O-CG 3.42Å; R807-L811 PolarHBondContact O-N 2.9Å |
| 808 | Y | 87 | Confident | 86.7 | Confident | 148 Ų | 148 | 101.3 Ų | 101.3 | 58% | 0.58 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.2 | -46.5 | 175.1 | -179.1 | -89.2 | 0 | 0 | 0 | 110.4 | Q804 N805 Q810 L811 E812 | Q804-Y808 VanDerWaalsContact O-CB 3.26Å; Q804-Y808 WeakPolarHBondContact O-CB 3.43Å; Q804-Y808 PolarHBondContact O-N 3.39Å; N805-Y808 PolarHBondContact O-N 2.91Å; Y808-Q810 VanDerWaalsContact C-N 3.35Å; Y808-Q810 PolarHBondContact O-N 3.23Å; Y808-L811 CarbonylContact O-C 3.59Å; Y808-L811 PolarHBondContact O-N 3.2Å; Y808-E812 HydrophobicContact CE1-CB 4.46Å; Y808-E812 WeakPolarHBondContact CE1-OE2 3.23Å; Y808-E812 VanDerWaalsContact O-CB 3.28Å; Y808-E812 WeakPolarHBondContact O-CB 3.29Å; Y808-E812 PolarHBondContact O-N 3.46Å |
| 809 | L | 87.5 | Confident | 86.6 | Confident | 99 Ų | 99 | 102.7 Ų | 102.7 | 52% | 0.518 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.6 | -38.7 | 177.5 | -164.3 | 74.6 | 0 | 0 | 0 | 112.1 | N805 S806 N813 | N805-L809 WeakPolarHBondContact O-CB 3.33Å; N805-L809 PolarHBondContact O-N 3.01Å; S806-L809 PolarHBondContact O-N 2.91Å; L809-N813 WeakPolarHBondContact O-CB 3.12Å; L809-N813 VanDerWaalsContact O-CG 3.27Å; L809-N813 PolarHBondContact O-N 3.27Å; L809-N813 PolarHBondContact O-ND2 3.39Å |
| 810 | Q | 87.2 | Confident | 86.4 | Confident | 124 Ų | 124 | 100.2 Ų | 100.2 | 58% | 0.579 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.7 | -53.4 | 171.8 | -76.7 | 175 | 0.4 | 0 | 0 | 110.7 | S806 R807 Y808 E812 N813 E814 | S806-Q810 WeakPolarHBondContact O-CB 3.24Å; S806-Q810 VanDerWaalsContact O-CG 3.31Å; S806-Q810 WeakPolarHBondContact O-CG 3.34Å; S806-Q810 PolarHBondContact O-N 3.38Å; R807-Q810 PolarHBondContact O-N 2.9Å; Y808-Q810 VanDerWaalsContact C-N 3.35Å; Y808-Q810 PolarHBondContact O-N 3.23Å; Q810-E812 VanDerWaalsContact C-N 3.29Å; Q810-E812 PolarHBondContact O-N 3.21Å; Q810-N813 WeakPolarHBondContact O-CB 3.26Å; Q810-N813 PolarHBondContact O-N 2.9Å; Q810-N813 VanDerWaalsContact O-N 3.15Å; Q810-E814 VanDerWaalsContact O-CG 3.3Å; Q810-E814 WeakPolarHBondContact O-CG 3.36Å; Q810-E814 PolarHBondContact O-N 3.47Å |
| 811 | L | 85.9 | Confident | 86.2 | Confident | 105 Ų | 105 | 100.4 Ų | 100.4 | 55% | 0.55 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -57.6 | -39.7 | 176.7 | -86.7 | 157.1 | 0 | 0 | 0 | 111.9 | R807 Y808 E814 L815 | R807-L811 VanDerWaalsContact O-CB 3.28Å; R807-L811 WeakPolarHBondContact O-CB 3.45Å; R807-L811 WeakPolarHBondContact O-CG 3.42Å; R807-L811 PolarHBondContact O-N 2.9Å; Y808-L811 CarbonylContact O-C 3.59Å; Y808-L811 PolarHBondContact O-N 3.2Å; L811-E814 CarbonylContact O-C 3.59Å; L811-E814 PolarHBondContact O-N 3.43Å; L811-L815 WeakPolarHBondContact O-CA 3.44Å; L811-L815 WeakPolarHBondContact O-CB 3.44Å; L811-L815 PolarHBondContact O-N 3.04Å |
| 812 | E | 87.1 | Confident | 86.1 | Confident | 65 Ų | 65 | 101.9 Ų | 101.9 | 30% | 0.304 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.7 | -39.6 | 178.4 | -160.9 | -168.2 | 152.2 | 0 | 0 | 111.2 | Y808 Q810 L815 K816 | Y808-E812 HydrophobicContact CE1-CB 4.46Å; Y808-E812 WeakPolarHBondContact CE1-OE2 3.23Å; Y808-E812 VanDerWaalsContact O-CB 3.28Å; Y808-E812 WeakPolarHBondContact O-CB 3.29Å; Y808-E812 PolarHBondContact O-N 3.46Å; Q810-E812 VanDerWaalsContact C-N 3.29Å; Q810-E812 PolarHBondContact O-N 3.21Å; E812-L815 PolarHBondContact O-N 2.97Å; E812-K816 WeakPolarHBondContact O-CB 3.47Å; E812-K816 WeakPolarHBondContact O-CG 3.42Å; E812-K816 PolarHBondContact O-N 3.1Å; E812-K816 WeakPolarHBondContact OE1-CE 3.4Å; E812-K816 IonicContact OE1-NZ 2.77Å; E812-K816 PolarHBondContact OE1-NZ 3.21Å |
| 813 | N | 84.9 | Confident | 86 | Confident | 91 Ų | 91 | 99.5 Ų | 99.5 | 49% | 0.487 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.6 | -40.6 | 172.4 | -74.2 | -26.3 | 0 | 0 | 0 | 111.8 | L809 Q810 R817 | L809-N813 WeakPolarHBondContact O-CB 3.12Å; L809-N813 VanDerWaalsContact O-CG 3.27Å; L809-N813 PolarHBondContact O-N 3.27Å; L809-N813 PolarHBondContact O-ND2 3.39Å; Q810-N813 WeakPolarHBondContact O-CB 3.26Å; Q810-N813 PolarHBondContact O-N 2.9Å; Q810-N813 VanDerWaalsContact O-N 3.15Å; N813-R817 VanDerWaalsContact O-CB 3.29Å; N813-R817 WeakPolarHBondContact O-CB 3.34Å; N813-R817 PolarHBondContact O-N 3.32Å |
| 814 | E | 87.6 | Confident | 85.9 | Confident | 99 Ų | 99 | 100 Ų | 100 | 46% | 0.463 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.9 | -41.3 | 174.1 | -66.9 | -155.4 | 129.8 | 0 | 0 | 111.5 | Q810 L811 R817 V818 | Q810-E814 VanDerWaalsContact O-CG 3.3Å; Q810-E814 WeakPolarHBondContact O-CG 3.36Å; Q810-E814 PolarHBondContact O-N 3.47Å; L811-E814 CarbonylContact O-C 3.59Å; L811-E814 PolarHBondContact O-N 3.43Å; E814-R817 VanDerWaalsContact CG-NH2 3.33Å; E814-R817 PolarHBondContact O-N 2.95Å; E814-R817 IonicContact OE1-NH2 2.91Å; E814-R817 PolarHBondContact OE1-NH2 3.37Å; E814-V818 VanDerWaalsContact O-CB 3.3Å; E814-V818 WeakPolarHBondContact O-CB 3.22Å; E814-V818 WeakPolarHBondContact O-CG2 3.38Å; E814-V818 PolarHBondContact O-N 2.9Å |
| 815 | L | 85.9 | Confident | 85.6 | Confident | 94 Ų | 94 | 101 Ų | 101 | 49% | 0.492 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.6 | -41.2 | 179.4 | -160.4 | 157.8 | 0 | 0 | 0 | 110.3 | L811 E812 V818 Q819 | L811-L815 WeakPolarHBondContact O-CA 3.44Å; L811-L815 WeakPolarHBondContact O-CB 3.44Å; L811-L815 PolarHBondContact O-N 3.04Å; E812-L815 PolarHBondContact O-N 2.97Å; L815-V818 PolarHBondContact O-N 3.19Å; L815-Q819 VanDerWaalsContact CD2-CD 3.43Å; L815-Q819 HydrophobicContact CD2-CG 3.86Å; L815-Q819 VanDerWaalsContact O-CB 3.22Å; L815-Q819 WeakPolarHBondContact O-CB 3.48Å; L815-Q819 WeakPolarHBondContact O-CG 3.33Å; L815-Q819 PolarHBondContact O-N 3.17Å |
| 816 | K | 85.3 | Confident | 85.4 | Confident | 111 Ų | 111 | 99.2 Ų | 99.2 | 48% | 0.483 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.9 | -43.7 | 170.7 | -79.7 | 173.5 | -174.4 | 155.1 | 0 | 112 | E812 Q819 A820 | E812-K816 WeakPolarHBondContact O-CB 3.47Å; E812-K816 WeakPolarHBondContact O-CG 3.42Å; E812-K816 PolarHBondContact O-N 3.1Å; E812-K816 WeakPolarHBondContact OE1-CE 3.4Å; E812-K816 IonicContact OE1-NZ 2.77Å; E812-K816 PolarHBondContact OE1-NZ 3.21Å; K816-Q819 PolarHBondContact O-N 3.19Å; K816-A820 WeakPolarHBondContact O-CB 3.39Å; K816-A820 PolarHBondContact O-N 3.47Å |
| 817 | R | 85.8 | Confident | 85.3 | Confident | 138 Ų | 138 | 100.9 Ų | 100.9 | 52% | 0.521 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.4 | -42.7 | 176.6 | 179.5 | -176.2 | 54.8 | 154 | -3.8 | 111.6 | N813 E814 A820 N821 | N813-R817 VanDerWaalsContact O-CB 3.29Å; N813-R817 WeakPolarHBondContact O-CB 3.34Å; N813-R817 PolarHBondContact O-N 3.32Å; E814-R817 VanDerWaalsContact CG-NH2 3.33Å; E814-R817 PolarHBondContact O-N 2.95Å; E814-R817 IonicContact OE1-NH2 2.91Å; E814-R817 PolarHBondContact OE1-NH2 3.37Å; R817-A820 PolarHBondContact O-N 3.05Å; R817-N821 WeakPolarHBondContact O-CB 3.27Å; R817-N821 VanDerWaalsContact O-CG 3.28Å; R817-N821 PolarHBondContact O-N 3.34Å |
| 818 | V | 86.5 | Confident | 85 | Confident | 72 Ų | 72 | 99.3 Ų | 99.3 | 44% | 0.436 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.6 | -39.2 | 176.7 | 168.4 | 0 | 0 | 0 | 0 | 110.7 | E814 L815 N821 L822 | E814-V818 VanDerWaalsContact O-CB 3.3Å; E814-V818 WeakPolarHBondContact O-CB 3.22Å; E814-V818 WeakPolarHBondContact O-CG2 3.38Å; E814-V818 PolarHBondContact O-N 2.9Å; L815-V818 PolarHBondContact O-N 3.19Å; V818-N821 CarbonylContact O-C 3.22Å; V818-N821 PolarHBondContact O-N 2.89Å; V818-L822 HydrophobicContact CG1-CD1 4.01Å; V818-L822 VanDerWaalsContact O-CB 3.26Å; V818-L822 WeakPolarHBondContact O-CB 3.39Å; V818-L822 PolarHBondContact O-N 3.37Å |
| 819 | Q | 86 | Confident | 84.8 | Confident | 110 Ų | 110 | 95.7 Ų | 95.7 | 51% | 0.514 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.9 | -44.4 | 173.1 | -84.8 | 179.7 | -19.8 | 0 | 0 | 111.5 | L815 K816 N821 L822 Q823 | L815-Q819 VanDerWaalsContact CD2-CD 3.43Å; L815-Q819 HydrophobicContact CD2-CG 3.86Å; L815-Q819 VanDerWaalsContact O-CB 3.22Å; L815-Q819 WeakPolarHBondContact O-CB 3.48Å; L815-Q819 WeakPolarHBondContact O-CG 3.33Å; L815-Q819 PolarHBondContact O-N 3.17Å; K816-Q819 PolarHBondContact O-N 3.19Å; Q819-N821 VanDerWaalsContact C-N 3.32Å; Q819-N821 PolarHBondContact O-N 3.31Å; Q819-L822 PolarHBondContact O-N 3.36Å; Q819-Q823 VanDerWaalsContact O-CB 3.26Å; Q819-Q823 WeakPolarHBondContact O-CB 3.2Å; Q819-Q823 PolarHBondContact O-N 3.39Å |
| 820 | A | 83 | Confident | 84.5 | Confident | 48 Ų | 48 | 96.1 Ų | 96.1 | 40% | 0.397 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.4 | -42.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | K816 R817 Q823 N824 | K816-A820 WeakPolarHBondContact O-CB 3.39Å; K816-A820 PolarHBondContact O-N 3.47Å; R817-A820 PolarHBondContact O-N 3.05Å; A820-Q823 PolarHBondContact O-N 2.89Å; A820-N824 WeakPolarHBondContact O-CB 3.35Å; A820-N824 PolarHBondContact O-N 3.33Å |
| 821 | N | 86.3 | Confident | 84.1 | Confident | 91 Ų | 91 | 92.9 Ų | 92.9 | 49% | 0.487 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.5 | -40.2 | 174.4 | -76.4 | -8.4 | 0 | 0 | 0 | 112.5 | R817 V818 Q819 N824 M825 | R817-N821 WeakPolarHBondContact O-CB 3.27Å; R817-N821 VanDerWaalsContact O-CG 3.28Å; R817-N821 PolarHBondContact O-N 3.34Å; V818-N821 CarbonylContact O-C 3.22Å; V818-N821 PolarHBondContact O-N 2.89Å; Q819-N821 VanDerWaalsContact C-N 3.32Å; Q819-N821 PolarHBondContact O-N 3.31Å; N821-N824 PolarHBondContact O-N 2.85Å; N821-M825 WeakPolarHBondContact O-CB 3.4Å; N821-M825 WeakPolarHBondContact O-CG 3.16Å; N821-M825 PolarHBondContact O-N 3.45Å |
| 822 | L | 83.1 | Confident | 83.7 | Confident | 96 Ų | 96 | 92.5 Ų | 92.5 | 50% | 0.503 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.4 | -38.4 | 176 | -105.5 | 159.1 | 0 | 0 | 0 | 111 | V818 Q819 M825 D826 | V818-L822 HydrophobicContact CG1-CD1 4.01Å; V818-L822 VanDerWaalsContact O-CB 3.26Å; V818-L822 WeakPolarHBondContact O-CB 3.39Å; V818-L822 PolarHBondContact O-N 3.37Å; Q819-L822 PolarHBondContact O-N 3.36Å; L822-M825 HydrophobicContact CD2-CE 4.34Å; L822-M825 HydrophobicContact CG-CE 4.49Å; L822-M825 CarbonylContact O-C 3.57Å; L822-M825 PolarHBondContact O-N 3.23Å; L822-D826 WeakPolarHBondContact O-CA 3.36Å; L822-D826 WeakPolarHBondContact O-CB 3.34Å; L822-D826 PolarHBondContact O-N 3.47Å |
| 823 | Q | 83.5 | Confident | 83.4 | Confident | 126 Ų | 126 | 94.3 Ų | 94.3 | 59% | 0.589 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -72.1 | -37.3 | 178.2 | -166.4 | 166.1 | -0.3 | 0 | 0 | 111.1 | Q819 A820 D826 N827 | Q819-Q823 VanDerWaalsContact O-CB 3.26Å; Q819-Q823 WeakPolarHBondContact O-CB 3.2Å; Q819-Q823 PolarHBondContact O-N 3.39Å; A820-Q823 PolarHBondContact O-N 2.89Å; Q823-D826 PolarHBondContact O-N 3.46Å; Q823-N827 WeakPolarHBondContact O-CB 3.42Å; Q823-N827 PolarHBondContact O-N 2.97Å; Q823-N827 PolarHBondContact O-ND2 3.42Å |
| 824 | N | 83.8 | Confident | 83 | Confident | 96 Ų | 96 | 98.2 Ų | 98.2 | 51% | 0.513 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.4 | -47.5 | 168.5 | -76.8 | -15.9 | 0 | 0 | 0 | 111.2 | A820 N821 D826 N827 D828 | A820-N824 WeakPolarHBondContact O-CB 3.35Å; A820-N824 PolarHBondContact O-N 3.33Å; N821-N824 PolarHBondContact O-N 2.85Å; N824-D826 VanDerWaalsContact C-N 3.32Å; N824-D826 PolarHBondContact O-N 3.07Å; N824-N827 PolarHBondContact O-N 2.96Å; N824-D828 WeakPolarHBondContact O-CB 3.27Å; N824-D828 PolarHBondContact O-N 3.02Å |
| 825 | M | 80.9 | Confident | 82.5 | Confident | 118 Ų | 118 | 99.5 Ų | 99.5 | 58% | 0.581 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.4 | -33 | 175.5 | -78.2 | -157.2 | -45.5 | 0 | 0 | 112.8 | N821 L822 D828 N829 | N821-M825 WeakPolarHBondContact O-CB 3.4Å; N821-M825 WeakPolarHBondContact O-CG 3.16Å; N821-M825 PolarHBondContact O-N 3.45Å; L822-M825 HydrophobicContact CD2-CE 4.34Å; L822-M825 HydrophobicContact CG-CE 4.49Å; L822-M825 CarbonylContact O-C 3.57Å; L822-M825 PolarHBondContact O-N 3.23Å; M825-D828 CarbonylContact O-C 3.58Å; M825-D828 PolarHBondContact O-N 3.22Å; M825-N829 WeakPolarHBondContact O-CA 3.09Å; M825-N829 WeakPolarHBondContact O-CB 3.4Å; M825-N829 PolarHBondContact O-N 3.44Å |
| 826 | D | 83.9 | Confident | 82 | Confident | 65 Ų | 65 | 99 Ų | 99 | 35% | 0.348 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -75.2 | -35.8 | 177.9 | -173.4 | 56.1 | 0 | 0 | 0 | 110.6 | L822 Q823 N824 N829 K830 | L822-D826 WeakPolarHBondContact O-CA 3.36Å; L822-D826 WeakPolarHBondContact O-CB 3.34Å; L822-D826 PolarHBondContact O-N 3.47Å; Q823-D826 PolarHBondContact O-N 3.46Å; N824-D826 VanDerWaalsContact C-N 3.32Å; N824-D826 PolarHBondContact O-N 3.07Å; D826-N829 PolarHBondContact O-N 3.22Å; D826-K830 VanDerWaalsContact O-CB 3.27Å; D826-K830 WeakPolarHBondContact O-CB 3.36Å; D826-K830 VanDerWaalsContact O-CG 3.29Å; D826-K830 WeakPolarHBondContact O-CG 3.4Å; D826-K830 PolarHBondContact O-N 3Å; D826-K830 WeakPolarHBondContact OD2-CE 3.44Å; D826-K830 IonicContact OD2-NZ 2.69Å; D826-K830 PolarHBondContact OD2-NZ 3.41Å |
| 827 | N | 81.7 | Confident | 81.6 | Confident | 90 Ų | 90 | 98.4 Ų | 98.4 | 48% | 0.481 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.4 | -42.2 | 169.5 | -71.2 | -24.8 | 0 | 0 | 0 | 111.2 | Q823 N824 S831 | Q823-N827 WeakPolarHBondContact O-CB 3.42Å; Q823-N827 PolarHBondContact O-N 2.97Å; Q823-N827 PolarHBondContact O-ND2 3.42Å; N824-N827 PolarHBondContact O-N 2.96Å; N827-S831 VanDerWaalsContact O-CB 3.32Å; N827-S831 WeakPolarHBondContact O-CB 3.3Å; N827-S831 PolarHBondContact O-N 2.95Å |
| 828 | D | 82.3 | Confident | 81 | Confident | 100 Ų | 100 | 94.8 Ų | 94.8 | 54% | 0.535 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.8 | -38.5 | 174.5 | -74.8 | -19 | 0 | 0 | 0 | 111.8 | N824 M825 S831 L832 | N824-D828 WeakPolarHBondContact O-CB 3.27Å; N824-D828 PolarHBondContact O-N 3.02Å; M825-D828 CarbonylContact O-C 3.58Å; M825-D828 PolarHBondContact O-N 3.22Å; D828-S831 CarbonylContact O-C 3.56Å; D828-S831 WeakPolarHBondContact O-CB 3.43Å; D828-S831 PolarHBondContact O-N 2.88Å; D828-L832 VanDerWaalsContact O-CB 3.3Å; D828-L832 WeakPolarHBondContact O-CB 3.25Å; D828-L832 VanDerWaalsContact O-CG 3.26Å; D828-L832 WeakPolarHBondContact O-CG 3.44Å; D828-L832 PolarHBondContact O-N 2.95Å |
| 829 | N | 83.1 | Confident | 80.4 | Confident | 71 Ų | 71 | 96.1 Ų | 96.1 | 38% | 0.38 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -72.9 | -38 | 179.5 | -165.2 | 43.3 | 0 | 0 | 0 | 110.4 | M825 D826 S831 L832 E833 | M825-N829 WeakPolarHBondContact O-CA 3.09Å; M825-N829 WeakPolarHBondContact O-CB 3.4Å; M825-N829 PolarHBondContact O-N 3.44Å; D826-N829 PolarHBondContact O-N 3.22Å; N829-S831 VanDerWaalsContact C-N 3.3Å; N829-S831 PolarHBondContact O-N 3.36Å; N829-L832 CarbonylContact O-C 3.57Å; N829-L832 PolarHBondContact O-N 3.47Å; N829-E833 PolarHBondContact ND2-OE1 3.08Å; N829-E833 VanDerWaalsContact ND2-OE1 3.08Å; N829-E833 WeakPolarHBondContact O-CA 3.36Å; N829-E833 WeakPolarHBondContact O-CB 3.31Å; N829-E833 VanDerWaalsContact O-CG 3.28Å; N829-E833 WeakPolarHBondContact O-CG 3.39Å; N829-E833 PolarHBondContact O-N 3.17Å |
| 830 | K | 81.4 | Confident | 79.8 | Confident | 108 Ų | 108 | 95.7 Ų | 95.7 | 47% | 0.47 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.2 | -35.3 | 169.4 | -77.7 | 168.1 | 177.1 | 155 | 0 | 112.2 | D826 K834 | D826-K830 VanDerWaalsContact O-CB 3.27Å; D826-K830 WeakPolarHBondContact O-CB 3.36Å; D826-K830 VanDerWaalsContact O-CG 3.29Å; D826-K830 WeakPolarHBondContact O-CG 3.4Å; D826-K830 PolarHBondContact O-N 3Å; D826-K830 WeakPolarHBondContact OD2-CE 3.44Å; D826-K830 IonicContact OD2-NZ 2.69Å; D826-K830 PolarHBondContact OD2-NZ 3.41Å; K830-K834 WeakPolarHBondContact O-CB 3.4Å; K830-K834 WeakPolarHBondContact O-CG 3.45Å; K830-K834 PolarHBondContact O-N 3.43Å; K830-K834 VanDerWaalsContact O-N 3.1Å |
| 831 | S | 78.9 | Confident | 79.3 | Confident | 57 Ų | 57 | 96.5 Ų | 96.5 | 40% | 0.399 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.1 | -42.7 | 172.5 | 176.5 | 0 | 0 | 0 | 0 | 111.5 | N827 D828 N829 K835 | N827-S831 VanDerWaalsContact O-CB 3.32Å; N827-S831 WeakPolarHBondContact O-CB 3.3Å; N827-S831 PolarHBondContact O-N 2.95Å; D828-S831 CarbonylContact O-C 3.56Å; D828-S831 WeakPolarHBondContact O-CB 3.43Å; D828-S831 PolarHBondContact O-N 2.88Å; N829-S831 VanDerWaalsContact C-N 3.3Å; N829-S831 PolarHBondContact O-N 3.36Å; S831-K835 WeakPolarHBondContact O-CG 3.49Å; S831-K835 PolarHBondContact O-N 3.29Å |
| 832 | L | 76.9 | Confident | 78.7 | Confident | 97 Ų | 97 | 96.7 Ų | 96.7 | 51% | 0.508 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -72.3 | -41.1 | 177.8 | -76.4 | 169.5 | 0 | 0 | 0 | 112.2 | D828 N829 K834 K835 N836 | D828-L832 VanDerWaalsContact O-CB 3.3Å; D828-L832 WeakPolarHBondContact O-CB 3.25Å; D828-L832 VanDerWaalsContact O-CG 3.26Å; D828-L832 WeakPolarHBondContact O-CG 3.44Å; D828-L832 PolarHBondContact O-N 2.95Å; N829-L832 CarbonylContact O-C 3.57Å; N829-L832 PolarHBondContact O-N 3.47Å; L832-K834 VanDerWaalsContact C-N 3.34Å; L832-K834 PolarHBondContact O-N 3.07Å; L832-K835 CarbonylContact O-C 3.53Å; L832-K835 WeakPolarHBondContact O-CA 3.34Å; L832-K835 VanDerWaalsContact O-CB 3.3Å; L832-K835 WeakPolarHBondContact O-CB 3.28Å; L832-K835 PolarHBondContact O-N 2.72Å; L832-N836 VanDerWaalsContact O-CB 3.28Å; L832-N836 WeakPolarHBondContact O-CB 3.36Å; L832-N836 PolarHBondContact O-N 3.29Å |
| 833 | E | 80.2 | Confident | 78.1 | Confident | 103 Ų | 103 | 97 Ų | 97 | 48% | 0.481 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.9 | -38.6 | 174.8 | -79.8 | 177.4 | -178.2 | 0 | 0 | 110.9 | N829 K835 N836 C837 | N829-E833 PolarHBondContact ND2-OE1 3.08Å; N829-E833 VanDerWaalsContact ND2-OE1 3.08Å; N829-E833 WeakPolarHBondContact O-CA 3.36Å; N829-E833 WeakPolarHBondContact O-CB 3.31Å; N829-E833 VanDerWaalsContact O-CG 3.28Å; N829-E833 WeakPolarHBondContact O-CG 3.39Å; N829-E833 PolarHBondContact O-N 3.17Å; E833-K835 VanDerWaalsContact C-N 3.27Å; E833-K835 PolarHBondContact O-N 3.38Å; E833-N836 PolarHBondContact O-N 2.98Å; E833-C837 WeakPolarHBondContact O-CB 3.27Å; E833-C837 PolarHBondContact O-N 3.38Å |
| 834 | K | 76 | Confident | 77.7 | Confident | 172 Ų | 172 | 95 Ų | 95 | 75% | 0.748 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.8 | -39 | 168.7 | -80.7 | -179.4 | 178.7 | 179.8 | 0 | 111.7 | K830 L832 A838 | K830-K834 WeakPolarHBondContact O-CB 3.4Å; K830-K834 WeakPolarHBondContact O-CG 3.45Å; K830-K834 PolarHBondContact O-N 3.43Å; K830-K834 VanDerWaalsContact O-N 3.1Å; L832-K834 VanDerWaalsContact C-N 3.34Å; L832-K834 PolarHBondContact O-N 3.07Å; K834-A838 PolarHBondContact O-N 2.91Å |
| 835 | K | 77.3 | Confident | 77.1 | Confident | 127 Ų | 127 | 97 Ų | 97 | 55% | 0.552 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -71.5 | -34.7 | 173.3 | -70 | 173.8 | 179.3 | 175.7 | 0 | 112.7 | S831 L832 E833 A838 L839 | S831-K835 WeakPolarHBondContact O-CG 3.49Å; S831-K835 PolarHBondContact O-N 3.29Å; L832-K835 CarbonylContact O-C 3.53Å; L832-K835 WeakPolarHBondContact O-CA 3.34Å; L832-K835 VanDerWaalsContact O-CB 3.3Å; L832-K835 WeakPolarHBondContact O-CB 3.28Å; L832-K835 PolarHBondContact O-N 2.72Å; E833-K835 VanDerWaalsContact C-N 3.27Å; E833-K835 PolarHBondContact O-N 3.38Å; K835-A838 WeakPolarHBondContact O-CB 3.45Å; K835-A838 PolarHBondContact O-N 3.26Å; K835-L839 WeakPolarHBondContact O-CB 3.38Å; K835-L839 WeakPolarHBondContact O-CG 3.13Å; K835-L839 PolarHBondContact O-N 2.7Å |
| 836 | N | 77 | Confident | 76.8 | Confident | 84 Ų | 84 | 98.1 Ų | 98.1 | 45% | 0.449 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -79.3 | -34.2 | -175.6 | -141 | 7.2 | 0 | 0 | 0 | 110.9 | L832 E833 A838 L839 L840 | L832-N836 VanDerWaalsContact O-CB 3.28Å; L832-N836 WeakPolarHBondContact O-CB 3.36Å; L832-N836 PolarHBondContact O-N 3.29Å; E833-N836 PolarHBondContact O-N 2.98Å; N836-A838 VanDerWaalsContact C-N 3.31Å; N836-L839 PolarHBondContact O-N 3.25Å; N836-L840 WeakPolarHBondContact O-CB 3.43Å; N836-L840 WeakPolarHBondContact O-CG 3.48Å; N836-L840 PolarHBondContact O-N 2.95Å |
| 837 | C | 75.8 | Confident | 76.2 | Confident | 98 Ų | 98 | 97.7 Ų | 97.7 | 66% | 0.662 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.1 | -37.4 | 168.1 | -87.5 | 0 | 0 | 0 | 0 | 111.6 | E833 S841 | E833-C837 WeakPolarHBondContact O-CB 3.27Å; E833-C837 PolarHBondContact O-N 3.38Å; C837-S841 WeakPolarHBondContact O-CB 3.33Å; C837-S841 PolarHBondContact O-N 3.36Å |
| 838 | A | 73.3 | Confident | 75.7 | Confident | 61 Ų | 61 | 97 Ų | 97 | 50% | 0.504 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.4 | -43.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | K834 K835 N836 | K834-A838 PolarHBondContact O-N 2.91Å; K835-A838 WeakPolarHBondContact O-CB 3.45Å; K835-A838 PolarHBondContact O-N 3.26Å; N836-A838 VanDerWaalsContact C-N 3.31Å |
| 839 | L | 73 | Confident | 75.2 | Confident | 100 Ų | 100 | 98.4 Ų | 98.4 | 52% | 0.524 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -75.6 | -41.9 | -177.8 | -80.4 | 163.9 | 0 | 0 | 0 | 114.6 | K835 N836 S841 D842 L843 | K835-L839 WeakPolarHBondContact O-CB 3.38Å; K835-L839 WeakPolarHBondContact O-CG 3.13Å; K835-L839 PolarHBondContact O-N 2.7Å; N836-L839 PolarHBondContact O-N 3.25Å; L839-S841 VanDerWaalsContact C-N 3.31Å; L839-S841 PolarHBondContact O-N 3.43Å; L839-D842 CarbonylContact O-C 3.55Å; L839-D842 WeakPolarHBondContact O-CA 3.48Å; L839-D842 WeakPolarHBondContact O-CB 3.36Å; L839-D842 PolarHBondContact O-N 3.33Å; L839-L843 WeakPolarHBondContact O-CB 3.09Å; L839-L843 PolarHBondContact O-N 3.26Å |
| 840 | L | 74.2 | Confident | 74.5 | Confident | 102 Ų | 102 | 97.5 Ų | 97.5 | 53% | 0.534 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.6 | -34.2 | 179.7 | -76.8 | 166.2 | 0 | 0 | 0 | 111.5 | N836 D842 L843 S844 | N836-L840 WeakPolarHBondContact O-CB 3.43Å; N836-L840 WeakPolarHBondContact O-CG 3.48Å; N836-L840 PolarHBondContact O-N 2.95Å; L840-D842 PolarHBondContact O-N 3.4Å; L840-L843 PolarHBondContact O-N 3.11Å; L840-S844 WeakPolarHBondContact O-CB 3.39Å; L840-S844 PolarHBondContact O-N 2.94Å |
| 841 | S | 72.7 | Confident | 73.9 | Confident | 65 Ų | 65 | 97.5 Ų | 97.5 | 46% | 0.455 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.6 | -31.6 | 168.6 | 171.8 | 0 | 0 | 0 | 0 | 112.2 | C837 L839 | C837-S841 WeakPolarHBondContact O-CB 3.33Å; C837-S841 PolarHBondContact O-N 3.36Å; L839-S841 VanDerWaalsContact C-N 3.31Å; L839-S841 PolarHBondContact O-N 3.43Å |
| 842 | D | 73.6 | Confident | 73.5 | Confident | 95 Ų | 95 | 98.5 Ų | 98.5 | 51% | 0.508 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -86.8 | -32.2 | 176.8 | -81.9 | -9.1 | 0 | 0 | 0 | 113.1 | L839 L840 K846 | L839-D842 CarbonylContact O-C 3.55Å; L839-D842 WeakPolarHBondContact O-CA 3.48Å; L839-D842 WeakPolarHBondContact O-CB 3.36Å; L839-D842 PolarHBondContact O-N 3.33Å; L840-D842 PolarHBondContact O-N 3.4Å; D842-K846 WeakPolarHBondContact O-CG 3.28Å |
| 843 | L | 71.5 | Confident | 73.3 | Confident | 102 Ų | 102 | 99.2 Ų | 99.2 | 53% | 0.534 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -84.1 | -33.7 | -174.8 | -136.6 | 156.8 | 0 | 0 | 0 | 112.4 | L839 L840 K845 K846 S847 | L839-L843 WeakPolarHBondContact O-CB 3.09Å; L839-L843 PolarHBondContact O-N 3.26Å; L840-L843 PolarHBondContact O-N 3.11Å; L843-K845 PolarHBondContact O-N 3.42Å; L843-K846 CarbonylContact O-C 3.36Å; L843-K846 WeakPolarHBondContact O-CA 3.3Å; L843-K846 WeakPolarHBondContact O-CB 3.36Å; L843-K846 PolarHBondContact O-N 3.15Å; L843-S847 PolarHBondContact O-N 3.14Å |
| 844 | S | 74.5 | Confident | 72.9 | Confident | 85 Ų | 85 | 101.2 Ų | 101.2 | 59% | 0.594 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63.4 | -31.3 | 172.4 | 109.3 | 0 | 0 | 0 | 0 | 111.4 | L840 K846 | L840-S844 WeakPolarHBondContact O-CB 3.39Å; L840-S844 PolarHBondContact O-N 2.94Å; S844-K846 VanDerWaalsContact C-N 3.27Å; S844-K846 PolarHBondContact O-N 3.47Å |
| 845 | K | 71.8 | Confident | 72.8 | Confident | 136 Ų | 136 | 95.3 Ų | 95.3 | 59% | 0.591 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.1 | -33.1 | 170.6 | -70.5 | 176.5 | -177.8 | 170.1 | 0 | 112 | L843 | L843-K845 PolarHBondContact O-N 3.42Å |
| 846 | K | 74 | Confident | 72.6 | Confident | 143 Ų | 143 | 95.7 Ų | 95.7 | 62% | 0.622 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -84.3 | -38.6 | -178.3 | -69.2 | -86.9 | -176.8 | 178 | 0 | 114 | D842 L843 S844 E849 A850 | D842-K846 WeakPolarHBondContact O-CG 3.28Å; L843-K846 CarbonylContact O-C 3.36Å; L843-K846 WeakPolarHBondContact O-CA 3.3Å; L843-K846 WeakPolarHBondContact O-CB 3.36Å; L843-K846 PolarHBondContact O-N 3.15Å; S844-K846 VanDerWaalsContact C-N 3.27Å; S844-K846 PolarHBondContact O-N 3.47Å; K846-E849 WeakPolarHBondContact O-CB 3.45Å; K846-E849 PolarHBondContact O-N 2.63Å; K846-A850 PolarHBondContact O-N 2.9Å |
| 847 | S | 70.7 | Confident | 72.3 | Confident | 55 Ų | 55 | 95.4 Ų | 95.4 | 39% | 0.385 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.8 | -36.8 | -177.1 | 152.3 | 0 | 0 | 0 | 0 | 112.7 | L843 E849 A850 D851 | L843-S847 PolarHBondContact O-N 3.14Å; S847-E849 PolarHBondContact O-N 2.91Å; S847-A850 PolarHBondContact O-N 3.42Å; S847-A850 VanDerWaalsContact O-N 3.08Å; S847-D851 PolarHBondContact O-N 3.38Å |
| 848 | A | 70.7 | Confident | 72.1 | Confident | 77 Ų | 77 | 96.4 Ų | 96.4 | 64% | 0.636 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -59.3 | -29.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 849 | E | 72.5 | Confident | 72 | Confident | 129 Ų | 129 | 97.7 Ų | 97.7 | 60% | 0.603 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -77 | -32.9 | 175.8 | -66.4 | 179.8 | 147.1 | 0 | 0 | 112.7 | K846 S847 | K846-E849 WeakPolarHBondContact O-CB 3.45Å; K846-E849 PolarHBondContact O-N 2.63Å; S847-E849 PolarHBondContact O-N 2.91Å |
| 850 | A | 67.8 | Low | 72.1 | Confident | 51 Ų | 51 | 97.8 Ų | 97.8 | 42% | 0.421 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -82.6 | -40.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | K846 S847 S852 L853 K854 | K846-A850 PolarHBondContact O-N 2.9Å; S847-A850 PolarHBondContact O-N 3.42Å; S847-A850 VanDerWaalsContact O-N 3.08Å; A850-S852 VanDerWaalsContact C-N 3.28Å; A850-S852 PolarHBondContact O-N 2.97Å; A850-L853 WeakPolarHBondContact O-CA 3.48Å; A850-L853 WeakPolarHBondContact O-CB 3.34Å; A850-L853 PolarHBondContact O-N 3.46Å; A850-K854 PolarHBondContact O-N 3.43Å |
| 851 | D | 69.9 | Low | 72.1 | Confident | 108 Ų | 108 | 98.2 Ų | 98.2 | 58% | 0.578 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -69.4 | -29.4 | -178.2 | -72.5 | -34.9 | 0 | 0 | 0 | 112.1 | S847 L853 K854 G855 | S847-D851 PolarHBondContact O-N 3.38Å; D851-L853 PolarHBondContact O-N 3.3Å; D851-K854 PolarHBondContact O-N 3.35Å; D851-G855 PolarHBondContact O-N 3.06Å |
| 852 | S | 70.8 | Confident | 72.1 | Confident | 79 Ų | 79 | 100.2 Ų | 100.2 | 55% | 0.552 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.8 | -25.9 | 168.4 | -178.6 | 0 | 0 | 0 | 0 | 113 | A850 | A850-S852 VanDerWaalsContact C-N 3.28Å; A850-S852 PolarHBondContact O-N 2.97Å |
| 853 | L | 72.8 | Confident | 72 | Confident | 112 Ų | 112 | 101.2 Ų | 101.2 | 59% | 0.586 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -86.8 | -39.7 | 178.6 | -79.8 | 162.7 | 0 | 0 | 0 | 111.7 | A850 D851 K856 | A850-L853 WeakPolarHBondContact O-CA 3.48Å; A850-L853 WeakPolarHBondContact O-CB 3.34Å; A850-L853 PolarHBondContact O-N 3.46Å; D851-L853 PolarHBondContact O-N 3.3Å; L853-K856 WeakPolarHBondContact O-CB 3.41Å; L853-K856 PolarHBondContact O-N 2.9Å |
| 854 | K | 71.4 | Confident | 72.1 | Confident | 145 Ų | 145 | 101.7 Ų | 101.7 | 63% | 0.63 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -70.5 | -36.9 | -174.3 | -147.9 | 179 | -174.3 | -176.2 | 0 | 113.1 | A850 D851 K856 V857 Q858 | A850-K854 PolarHBondContact O-N 3.43Å; D851-K854 PolarHBondContact O-N 3.35Å; K854-K856 PolarHBondContact O-N 3.24Å; K854-V857 PolarHBondContact O-N 3.26Å; K854-Q858 PolarHBondContact O-N 2.86Å |
| 855 | G | 72.9 | Confident | 71.8 | Confident | 47 Ų | 47 | 100.1 Ų | 100.1 | 49% | 0.485 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -58.8 | -27.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | D851 T859 | D851-G855 PolarHBondContact O-N 3.06Å; G855-T859 PolarHBondContact O-OG1 3.2Å |
| 856 | K | 73.1 | Confident | 71.7 | Confident | 136 Ų | 136 | 101 Ų | 101 | 59% | 0.591 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -76.2 | -28.8 | 174.6 | -68 | 176.8 | 174.8 | 174.1 | 0 | 113.2 | L853 K854 T859 L860 | L853-K856 WeakPolarHBondContact O-CB 3.41Å; L853-K856 PolarHBondContact O-N 2.9Å; K854-K856 PolarHBondContact O-N 3.24Å; K856-T859 PolarHBondContact O-OG1 3.2Å; K856-L860 WeakPolarHBondContact O-CD1 3.44Å; K856-L860 WeakPolarHBondContact O-CG 3.08Å |
| 857 | V | 72.1 | Confident | 71.5 | Confident | 77 Ų | 77 | 101 Ų | 101 | 47% | 0.467 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -77.2 | -41.2 | -179.4 | 177.2 | 0 | 0 | 0 | 0 | 110.7 | K854 T859 L860 E861 | K854-V857 PolarHBondContact O-N 3.26Å; V857-T859 VanDerWaalsContact C-N 3.33Å; V857-T859 PolarHBondContact O-N 3.03Å; V857-L860 WeakPolarHBondContact O-CA 3.33Å; V857-L860 WeakPolarHBondContact O-CB 3.37Å; V857-L860 PolarHBondContact O-N 3.43Å; V857-E861 HydrophobicContact CG1-CG 4.46Å; V857-E861 PolarHBondContact O-N 3.02Å |
| 858 | Q | 71.8 | Confident | 71.3 | Confident | 119 Ų | 119 | 101 Ų | 101 | 56% | 0.556 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -68.4 | -33.9 | -175 | -161.4 | 151.1 | 4 | 0 | 0 | 113 | K854 L860 E861 D862 | K854-Q858 PolarHBondContact O-N 2.86Å; Q858-L860 PolarHBondContact O-N 3.23Å; Q858-E861 PolarHBondContact O-N 3.06Å; Q858-D862 PolarHBondContact O-N 3.43Å; Q858-D862 VanDerWaalsContact O-N 3.16Å |
| 859 | T | 71.4 | Confident | 71.1 | Confident | 89 Ų | 89 | 104 Ų | 104 | 55% | 0.546 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.5 | -30 | 169.5 | 43 | 0 | 0 | 0 | 0 | 113 | G855 K856 V857 | G855-T859 PolarHBondContact O-OG1 3.2Å; K856-T859 PolarHBondContact O-OG1 3.2Å; V857-T859 VanDerWaalsContact C-N 3.33Å; V857-T859 PolarHBondContact O-N 3.03Å |
| 860 | L | 73.9 | Confident | 70.8 | Confident | 102 Ų | 102 | 103 Ų | 103 | 53% | 0.534 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -79.8 | -31.9 | 177 | -66.7 | 168 | 0 | 0 | 0 | 112 | K856 V857 Q858 E863 I864 | K856-L860 WeakPolarHBondContact O-CD1 3.44Å; K856-L860 WeakPolarHBondContact O-CG 3.08Å; V857-L860 WeakPolarHBondContact O-CA 3.33Å; V857-L860 WeakPolarHBondContact O-CB 3.37Å; V857-L860 PolarHBondContact O-N 3.43Å; Q858-L860 PolarHBondContact O-N 3.23Å; L860-E863 PolarHBondContact O-N 3.25Å; L860-I864 PolarHBondContact O-N 2.95Å |
| 861 | E | 73.9 | Confident | 70.5 | Confident | 111 Ų | 111 | 109.8 Ų | 109.8 | 52% | 0.519 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -70.8 | -36.6 | 176.8 | -72.3 | -178.9 | 158.5 | 0 | 0 | 112.6 | V857 Q858 E863 I864 A865 | V857-E861 HydrophobicContact CG1-CG 4.46Å; V857-E861 PolarHBondContact O-N 3.02Å; Q858-E861 PolarHBondContact O-N 3.06Å; E861-E863 PolarHBondContact O-N 3.46Å; E861-I864 CarbonylContact O-C 3.59Å; E861-I864 WeakPolarHBondContact O-CA 3.32Å; E861-I864 WeakPolarHBondContact O-CB 3.33Å; E861-I864 PolarHBondContact O-N 3.46Å; E861-A865 PolarHBondContact O-N 3.42Å |
| 862 | D | 73.2 | Confident | 69.9 | Low | 106 Ų | 106 | 111.6 Ų | 111.6 | 57% | 0.567 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64.9 | -28.4 | 175.1 | -76.2 | -22.7 | 0 | 0 | 0 | 112.5 | Q858 K866 | Q858-D862 PolarHBondContact O-N 3.43Å; Q858-D862 VanDerWaalsContact O-N 3.16Å; D862-K866 PolarHBondContact O-N 3.1Å |
| 863 | E | 71.9 | Confident | 69.2 | Low | 117 Ų | 117 | 113.9 Ų | 113.9 | 55% | 0.547 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -68.2 | -39.8 | 169.8 | -69.7 | -176.1 | 162.9 | 0 | 0 | 111.2 | L860 E861 K866 F867 | L860-E863 PolarHBondContact O-N 3.25Å; E861-E863 PolarHBondContact O-N 3.46Å; E863-K866 PolarHBondContact O-N 3.48Å; E863-F867 WeakPolarHBondContact O-CD2 3.47Å; E863-F867 PolarHBondContact O-N 2.92Å |
| 864 | I | 72.4 | Confident | 68.4 | Low | 111 Ų | 111 | 113.9 Ų | 113.9 | 57% | 0.569 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -65.1 | -38.9 | 175.3 | -63.6 | 171.4 | 0 | 0 | 0 | 111.2 | L860 E861 K866 F867 A868 | L860-I864 PolarHBondContact O-N 2.95Å; E861-I864 CarbonylContact O-C 3.59Å; E861-I864 WeakPolarHBondContact O-CA 3.32Å; E861-I864 WeakPolarHBondContact O-CB 3.33Å; E861-I864 PolarHBondContact O-N 3.46Å; I864-K866 VanDerWaalsContact C-N 3.27Å; I864-K866 PolarHBondContact O-N 3.38Å; I864-F867 PolarHBondContact O-N 3.3Å; I864-A868 PolarHBondContact O-N 3.3Å |
| 865 | A | 69.6 | Low | 67.7 | Low | 52 Ų | 52 | 113.2 Ų | 113.2 | 43% | 0.43 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -60.4 | -35.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | E861 Q869 | E861-A865 PolarHBondContact O-N 3.42Å; A865-Q869 PolarHBondContact O-N 2.75Å |
| 866 | K | 69.5 | Low | 67 | Low | 154 Ų | 154 | 120.2 Ų | 120.2 | 67% | 0.67 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -68.8 | -35.9 | 172.2 | -79.5 | 179.2 | 176.8 | 171.7 | 0 | 112.7 | D862 E863 I864 M870 | D862-K866 PolarHBondContact O-N 3.1Å; E863-K866 PolarHBondContact O-N 3.48Å; I864-K866 VanDerWaalsContact C-N 3.27Å; I864-K866 PolarHBondContact O-N 3.38Å; K866-M870 PolarHBondContact O-N 3.29Å |
| 867 | F | 70.2 | Confident | 66.2 | Low | 143 Ų | 143 | 120.8 Ų | 120.8 | 63% | 0.627 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -70.2 | -35.6 | 175.3 | -73.8 | -65.4 | 0 | 0 | 0 | 113 | E863 I864 M870 R871 | E863-F867 WeakPolarHBondContact O-CD2 3.47Å; E863-F867 PolarHBondContact O-N 2.92Å; I864-F867 PolarHBondContact O-N 3.3Å; F867-M870 HydrophobicContact CD1-CE 3.76Å; F867-M870 HydrophobicContact CE1-CE 4.1Å; F867-M870 WeakPolarHBondContact O-CB 3.3Å; F867-M870 PolarHBondContact O-N 2.98Å; F867-R871 PolarHBondContact O-N 3.5Å |
| 868 | A | 66.4 | Low | 65.3 | Low | 56 Ų | 56 | 121.3 Ų | 121.3 | 46% | 0.463 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -66.4 | -40.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | I864 M870 R871 E872 | I864-A868 PolarHBondContact O-N 3.3Å; A868-M870 VanDerWaalsContact C-N 3.26Å; A868-M870 PolarHBondContact O-N 3.44Å; A868-R871 WeakPolarHBondContact O-CA 3.33Å; A868-R871 WeakPolarHBondContact O-CB 3.07Å; A868-R871 PolarHBondContact O-N 2.52Å; A868-E872 PolarHBondContact O-N 3.41Å; A868-E872 VanDerWaalsContact O-N 3.1Å |
| 869 | Q | 66.4 | Low | 63.6 | Low | 140 Ų | 140 | 119.8 Ų | 119.8 | 65% | 0.654 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -61.2 | -34.2 | 173.8 | -80 | -176.3 | -6 | 0 | 0 | 112.9 | A865 R871 M873 | A865-Q869 PolarHBondContact O-N 2.75Å; Q869-R871 VanDerWaalsContact C-N 3.3Å; Q869-R871 PolarHBondContact O-N 3.34Å; Q869-M873 PolarHBondContact O-N 3.08Å |
| 870 | M | 64.8 | Low | 62 | Low | 107 Ų | 107 | 118.6 Ų | 118.6 | 53% | 0.527 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -63.7 | -36.4 | 171 | -107.1 | -178.4 | -71.4 | 0 | 0 | 112 | K866 F867 A868 I874 | K866-M870 PolarHBondContact O-N 3.29Å; F867-M870 HydrophobicContact CD1-CE 3.76Å; F867-M870 HydrophobicContact CE1-CE 4.1Å; F867-M870 WeakPolarHBondContact O-CB 3.3Å; F867-M870 PolarHBondContact O-N 2.98Å; A868-M870 VanDerWaalsContact C-N 3.26Å; A868-M870 PolarHBondContact O-N 3.44Å; M870-I874 WeakPolarHBondContact O-CG1 3.09Å |
| 871 | R | 62.7 | Low | 60 | Low | 195 Ų | 195 | 120.2 Ų | 120.2 | 74% | 0.736 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -73.5 | -37.3 | -177 | -151.7 | -178.8 | -162.1 | -163.2 | 4.1 | 113.2 | F867 A868 Q869 I874 H875 | F867-R871 PolarHBondContact O-N 3.5Å; A868-R871 WeakPolarHBondContact O-CA 3.33Å; A868-R871 WeakPolarHBondContact O-CB 3.07Å; A868-R871 PolarHBondContact O-N 2.52Å; Q869-R871 VanDerWaalsContact C-N 3.3Å; Q869-R871 PolarHBondContact O-N 3.34Å; R871-I874 VanDerWaalsContact O-CB 3.3Å; R871-I874 WeakPolarHBondContact O-CB 3.27Å; R871-I874 PolarHBondContact O-N 2.88Å; R871-I874 VanDerWaalsContact O-N 3.14Å; R871-H875 PolarHBondContact O-N 3.18Å |
| 872 | E | 56.9 | Low | 58 | Low | 146 Ų | 146 | 122.2 Ų | 122.2 | 68% | 0.682 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -75.8 | -27.8 | -178.3 | -152.6 | 174.8 | -173.5 | 0 | 0 | 112.5 | A868 I874 H875 K876 | A868-E872 PolarHBondContact O-N 3.41Å; A868-E872 VanDerWaalsContact O-N 3.1Å; E872-I874 PolarHBondContact O-N 3.37Å; E872-H875 PolarHBondContact O-N 3.21Å; E872-H875 VanDerWaalsContact O-N 3.09Å; E872-K876 PolarHBondContact O-N 3.2Å |
| 873 | M | 56.3 | Low | 57.2 | Low | 126 Ų | 126 | 123 Ų | 123 | 62% | 0.621 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -57.9 | -33.7 | 165.8 | -100.8 | -174.7 | -73.7 | 0 | 0 | 112.4 | Q869 | Q869-M873 PolarHBondContact O-N 3.08Å |
| 874 | I | 56.2 | Low | 56.4 | Low | 112 Ų | 112 | 123.3 Ų | 123.3 | 57% | 0.574 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -70 | -37.7 | 175.5 | -60.1 | 169.5 | 0 | 0 | 0 | 110.3 | M870 R871 E872 K876 L877 | M870-I874 WeakPolarHBondContact O-CG1 3.09Å; R871-I874 VanDerWaalsContact O-CB 3.3Å; R871-I874 WeakPolarHBondContact O-CB 3.27Å; R871-I874 PolarHBondContact O-N 2.88Å; R871-I874 VanDerWaalsContact O-N 3.14Å; E872-I874 PolarHBondContact O-N 3.37Å; I874-K876 VanDerWaalsContact C-N 3.31Å; I874-K876 PolarHBondContact O-N 2.97Å; I874-L877 PolarHBondContact O-N 3.25Å |
| 875 | H | 56.9 | Low | 55.5 | Low | 131 Ų | 131 | 124 Ų | 124 | 61% | 0.606 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -69.7 | -25 | -178 | -126.2 | -67.8 | 0 | 0 | 0 | 113.8 | R871 E872 L877 | R871-H875 PolarHBondContact O-N 3.18Å; E872-H875 PolarHBondContact O-N 3.21Å; E872-H875 VanDerWaalsContact O-N 3.09Å; H875-L877 PolarHBondContact O-N 3.27Å |
| 876 | K | 56.8 | Low | 54.7 | Low | 194 Ų | 194 | 128.2 Ų | 128.2 | 84% | 0.843 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -13 | 170.4 | -79.9 | -175.3 | 177.2 | 176.5 | 0 | 114.1 | E872 I874 | E872-K876 PolarHBondContact O-N 3.2Å; I874-K876 VanDerWaalsContact C-N 3.31Å; I874-K876 PolarHBondContact O-N 2.97Å |
| 877 | L | 56.5 | Low | 53.8 | Low | 148 Ų | 148 | 126.6 Ų | 126.6 | 78% | 0.775 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | -5.1 | -177.9 | -71.1 | 168.3 | 0 | 0 | 0 | 114 | I874 H875 | I874-L877 PolarHBondContact O-N 3.25Å; H875-L877 PolarHBondContact O-N 3.27Å |
| 878 | T | 54.7 | Low | 52.7 | Low | 88 Ų | 88 | 125.5 Ų | 125.5 | 54% | 0.54 | 74% | 0.74 | S | S | . | * | trans | -137 | 108.5 | 180 | 51.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 879 | G | 34.6 | Very low | 51.7 | Low | 87 Ų | 87 | 130.5 Ų | 130.5 | 90% | 0.897 | 76% | 0.76 | S | S | * | * | trans | -58.2 | 137.1 | 162.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 880 | G | 38.4 | Very low | 50.6 | Low | 65 Ų | 65 | 129.8 Ų | 129.8 | 67% | 0.67 | 77% | 0.768 | S | S | * | * | trans | 173 | 109.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 881 | S | 32 | Very low | 49.4 | Very low | 136 Ų | 136 | 131.7 Ų | 131.7 | 95% | 0.951 | 79% | 0.789 | S | S | * | * | trans | -66.1 | 132.7 | 166.6 | -42.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 882 | G | 30.8 | Very low | 48.2 | Very low | 152 Ų | 152 | 125.9 Ų | 125.9 | 100% | 1.567 | 79% | 0.793 | S | S | * | * | trans | 152.1 | 0 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.1 |
Retrieved 882 of 882 residues in 369.3 ms
(Link to these results)