| 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 | 30.9 | Very low | 55.6 | Low | 246 Ų | 246 | 99.7 Ų | 99.7 | 100% | 1.212 | 63% | 0.63 | S | S | * | * | 0 | 112.3 | 0 | -63 | -174.5 | -70.8 | 0 | 0 | 107 | |||||
| 2 | G | 31.8 | Very low | 58.5 | Low | 77 Ų | 77 | 97.9 Ų | 97.9 | 79% | 0.794 | 63% | 0.631 | S | S | * | * | trans | -84.6 | 128.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | S4 | G2-S4 PolarHBondContact O-N 2.9Š| ||
| 3 | V | 33.3 | Very low | 61 | Low | 146 Ų | 146 | 92.2 Ų | 92.2 | 89% | 0.885 | 59% | 0.591 | S | S | * | * | trans | -75.6 | 112.1 | 164 | -179.2 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 4 | S | 36.2 | Very low | 63.3 | Low | 106 Ų | 106 | 86.4 Ų | 86.4 | 74% | 0.741 | 55% | 0.554 | S | S | * | * | trans | -53.5 | 147.8 | 171.2 | -58.4 | 0 | 0 | 0 | 0 | 109.5 | G2 S6 | G2-S4 PolarHBondContact O-N 2.9Å; S4-S6 PolarHBondContact O-N 3.38Å | ||
| 5 | A | 37.2 | Very low | 65.4 | Low | 108 Ų | 108 | 83.8 Ų | 83.8 | 89% | 0.893 | 54% | 0.543 | S | S | * | . | trans | -68.2 | 81.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | S7 | A5-S7 PolarHBondContact O-N 3.49Š| ||
| 6 | S | 46.2 | Very low | 67.2 | Low | 101 Ų | 101 | 85.2 Ų | 85.2 | 71% | 0.706 | 54% | 0.535 | S | S | * | . | trans | -49.1 | 133.9 | 154.6 | 178.8 | 0 | 0 | 0 | 0 | 107.3 | S4 L8 | S4-S6 PolarHBondContact O-N 3.38Å; S6-L8 PolarHBondContact O-N 2.99Å | ||
| 7 | S | 58.4 | Low | 68.9 | Low | 70 Ų | 70 | 80.2 Ų | 80.2 | 49% | 0.49 | 50% | 0.504 | S | S | . | . | trans | -46.4 | 131.5 | 176.4 | 175.5 | 0 | 0 | 0 | 0 | 110.2 | A5 L9 | A5-S7 PolarHBondContact O-N 3.49Å; S7-L9 VanDerWaalsContact CB-O 3.23Å; S7-L9 WeakPolarHBondContact CB-O 3.35Å; S7-L9 PolarHBondContact O-N 3.32Å; S7-L9 WeakPolarHBondContact OG-CA 3.45Å; S7-L9 WeakPolarHBondContact OG-CB 3.44Å; S7-L9 PolarHBondContact OG-N 3.31Å; S7-L9 VanDerWaalsContact OG-N 3.1Å; S7-L9 PolarHBondContact OG-O 3.44Å | ||
| 8 | L | 72.6 | Confident | 70.4 | Confident | 50 Ų | 50 | 80 Ų | 80 | 26% | 0.262 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -70.2 | -16.8 | 173.6 | -72.2 | 166.3 | 0 | 0 | 0 | 111.2 | S6 D10 K13 L255 L259 A269 T273 | S6-L8 PolarHBondContact O-N 2.99Å; L8-D10 PolarHBondContact O-N 2.95Å; L8-K13 PolarHBondContact O-NZ 3.07Å; L8-L255 HydrophobicContact CB-CD1 4.31Å; L8-L255 HydrophobicContact CB-CD2 4.35Å; L8-L259 HydrophobicContact CD1-CD2 3.56Å; L8-L259 HydrophobicContact CD2-CD2 3.53Å; L8-L259 HydrophobicContact CG-CD2 4.21Å; L8-A269 HydrophobicContact CD1-CB 3.91Å; L8-T273 HydrophobicContact CB-CG2 3.99Å; L8-T273 WeakPolarHBondContact CD1-OG1 3.31Å |
| 9 | L | 84.4 | Confident | 71.8 | Confident | 7 Ų | 7 | 77.8 Ų | 77.8 | 4% | 0.037 | 49% | 0.487 | C | S | . | . | S | Bend | trans | -83.8 | 98 | 159 | -45.2 | -178.1 | 0 | 0 | 0 | 107.7 | S7 K13 I17 L251 T273 A276 A277 L280 | S7-L9 VanDerWaalsContact CB-O 3.23Å; S7-L9 WeakPolarHBondContact CB-O 3.35Å; S7-L9 PolarHBondContact O-N 3.32Å; S7-L9 WeakPolarHBondContact OG-CA 3.45Å; S7-L9 WeakPolarHBondContact OG-CB 3.44Å; S7-L9 PolarHBondContact OG-N 3.31Å; S7-L9 VanDerWaalsContact OG-N 3.1Å; S7-L9 PolarHBondContact OG-O 3.44Å; L9-K13 HydrophobicContact CD2-CB 4.4Å; L9-I17 HydrophobicContact CD1-CD1 3.89Å; L9-I17 HydrophobicContact CD2-CD1 3.64Å; L9-I17 HydrophobicContact CG-CD1 4.32Å; L9-L251 HydrophobicContact CD2-CD1 4.04Å; L9-T273 HydrophobicContact CD1-CG2 4.47Å; L9-T273 HydrophobicContact CD2-CG2 3.51Å; L9-T273 HydrophobicContact CG-CG2 3.81Å; L9-A276 HydrophobicContact CD1-CB 4Å; L9-A277 HydrophobicContact CD1-CB 4.05Å; L9-L280 HydrophobicContact CD1-CD1 3.7Å |
| 10 | D | 88.4 | Confident | 73 | Confident | 65 Ų | 65 | 76.9 Ų | 76.9 | 35% | 0.348 | 48% | 0.476 | S | S | . | . | trans | -76.3 | 163.5 | 161.8 | 44.7 | 40.8 | 0 | 0 | 0 | 108.8 | L8 A12 K13 S14 R258 | L8-D10 PolarHBondContact O-N 2.95Å; D10-A12 PolarHBondContact O-N 3.38Å; D10-K13 WeakPolarHBondContact O-CA 3.47Å; D10-K13 PolarHBondContact O-N 3.11Å; D10-K13 WeakPolarHBondContact OD1-CG 3.32Å; D10-K13 PolarHBondContact OD1-N 3.02Å; D10-K13 IonicContact OD1-NZ 3.9Å; D10-K13 PolarHBondContact OD1-NZ 3.25Å; D10-K13 IonicContact OD2-NZ 3.51Å; D10-K13 PolarHBondContact OD2-NZ 3.18Å; D10-S14 PolarHBondContact O-N 3.17Å; D10-S14 PolarHBondContact O-OG 3.38Å; D10-R258 IonicContact OD2-NH2 3.52Å | ||
| 11 | E | 92.2 | Very high | 74.2 | Confident | 121 Ų | 121 | 73.2 Ų | 73.2 | 57% | 0.565 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -59 | -29.1 | -171.1 | -169.1 | 53.2 | -141.2 | 0 | 0 | 113.3 | S14 A15 R18 | E11-S14 PolarHBondContact O-N 2.8Å; E11-A15 VanDerWaalsContact O-CB 3.29Å; E11-A15 WeakPolarHBondContact O-CB 3.5Å; E11-A15 PolarHBondContact O-N 3.22Å; E11-R18 IonicContact OE1-CZ 3.83Å; E11-R18 IonicContact OE1-NH1 2.68Å; E11-R18 IonicContact OE1-NH2 2.82Å; E11-R18 PolarHBondContact OE1-NH2 3.13Å |
| 12 | A | 90.4 | Very high | 77.4 | Confident | 78 Ų | 78 | 65.5 Ų | 65.5 | 65% | 0.645 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -64.6 | -40.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | D10 Y16 | D10-A12 PolarHBondContact O-N 3.38Å; A12-Y16 WeakPolarHBondContact O-CB 3.47Å; A12-Y16 PolarHBondContact O-N 3.41Å |
| 13 | K | 90.4 | Very high | 80.5 | Confident | 24 Ų | 24 | 64.1 Ų | 64.1 | 10% | 0.104 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -70.4 | -39.7 | 171.2 | -72.2 | -168.7 | -138.3 | 76.7 | 0 | 112.5 | L8 L9 D10 A15 Y16 I17 L255 | L8-K13 PolarHBondContact O-NZ 3.07Å; L9-K13 HydrophobicContact CD2-CB 4.4Å; D10-K13 WeakPolarHBondContact O-CA 3.47Å; D10-K13 PolarHBondContact O-N 3.11Å; D10-K13 WeakPolarHBondContact OD1-CG 3.32Å; D10-K13 PolarHBondContact OD1-N 3.02Å; D10-K13 IonicContact OD1-NZ 3.9Å; D10-K13 PolarHBondContact OD1-NZ 3.25Å; D10-K13 IonicContact OD2-NZ 3.51Å; D10-K13 PolarHBondContact OD2-NZ 3.18Å; K13-A15 VanDerWaalsContact C-N 3.31Å; K13-A15 PolarHBondContact O-N 3.33Å; K13-Y16 PolarHBondContact O-N 3.34Å; K13-I17 WeakPolarHBondContact O-CB 3.43Å; K13-I17 VanDerWaalsContact O-CG1 3.22Å; K13-I17 WeakPolarHBondContact O-CG1 3.45Å; K13-I17 PolarHBondContact O-N 2.99Å; K13-L255 HydrophobicContact CD-CD2 3.93Å |
| 14 | S | 93.8 | Very high | 83.6 | Confident | 10 Ų | 10 | 57.3 Ų | 57.3 | 7% | 0.07 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.2 | -43 | 176.1 | -56.2 | 0 | 0 | 0 | 0 | 111.3 | D10 E11 I17 R18 | D10-S14 PolarHBondContact O-N 3.17Å; D10-S14 PolarHBondContact O-OG 3.38Å; E11-S14 PolarHBondContact O-N 2.8Å; S14-I17 PolarHBondContact O-N 3.4Å; S14-R18 WeakPolarHBondContact O-CG 3.29Å; S14-R18 PolarHBondContact O-N 2.91Å |
| 15 | A | 94.6 | Very high | 86.5 | Confident | 48 Ų | 48 | 52.8 Ų | 52.8 | 40% | 0.397 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.9 | -41.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | E11 K13 G19 | E11-A15 VanDerWaalsContact O-CB 3.29Å; E11-A15 WeakPolarHBondContact O-CB 3.5Å; E11-A15 PolarHBondContact O-N 3.22Å; K13-A15 VanDerWaalsContact C-N 3.31Å; K13-A15 PolarHBondContact O-N 3.33Å; A15-G19 PolarHBondContact O-N 3.1Å |
| 16 | Y | 94.5 | Very high | 89.4 | Confident | 106 Ų | 106 | 50.8 Ų | 50.8 | 42% | 0.416 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61 | -44 | 173.2 | 171.2 | -109.8 | 0 | 0 | 0 | 112.2 | A12 K13 G19 Q20 L247 | A12-Y16 WeakPolarHBondContact O-CB 3.47Å; A12-Y16 PolarHBondContact O-N 3.41Å; K13-Y16 PolarHBondContact O-N 3.34Å; Y16-G19 PolarHBondContact O-N 2.86Å; Y16-Q20 HydrophobicContact CD2-CG 4.25Å; Y16-Q20 HydrophobicContact CE1-CG 4.03Å; Y16-Q20 HydrophobicContact CE2-CG 3.68Å; Y16-Q20 WeakPolarHBondContact O-CG 3.45Å; Y16-Q20 PolarHBondContact O-N 3.06Å; Y16-Q20 PolarHBondContact OH-OE1 2.98Å; Y16-Q20 VanDerWaalsContact OH-OE1 3.07Å; Y16-L247 HydrophobicContact CE1-CD1 3.93Å |
| 17 | I | 96.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.4 | -45.7 | 179.3 | -71.5 | 168.4 | 0 | 0 | 0 | 111.1 | L9 K13 S14 Q20 A21 L247 A277 L280 V281 | L9-I17 HydrophobicContact CD1-CD1 3.89Å; L9-I17 HydrophobicContact CD2-CD1 3.64Å; L9-I17 HydrophobicContact CG-CD1 4.32Å; K13-I17 WeakPolarHBondContact O-CB 3.43Å; K13-I17 VanDerWaalsContact O-CG1 3.22Å; K13-I17 WeakPolarHBondContact O-CG1 3.45Å; K13-I17 PolarHBondContact O-N 2.99Å; S14-I17 PolarHBondContact O-N 3.4Å; I17-Q20 PolarHBondContact O-N 3.24Å; I17-A21 PolarHBondContact O-N 2.96Å; I17-L247 HydrophobicContact CB-CD2 4.48Å; I17-L247 HydrophobicContact CD1-CD2 4.43Å; I17-L247 HydrophobicContact CG1-CD1 4.07Å; I17-L247 HydrophobicContact CG1-CD2 3.92Å; I17-L247 HydrophobicContact CG2-CD2 4Å; I17-A277 HydrophobicContact CD1-CB 4Å; I17-L280 HydrophobicContact CG2-CB 4.4Å; I17-V281 HydrophobicContact CG2-CG2 3.51Å |
| 18 | R | 96.3 | Very high | 93.7 | Very high | 77 Ų | 77 | 46.8 Ų | 46.8 | 29% | 0.291 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.1 | -41.8 | 173.2 | -70.2 | -175.1 | -56.8 | -111.3 | -2 | 111.8 | E11 S14 Q20 A21 E22 H284 | E11-R18 IonicContact OE1-CZ 3.83Å; E11-R18 IonicContact OE1-NH1 2.68Å; E11-R18 IonicContact OE1-NH2 2.82Å; E11-R18 PolarHBondContact OE1-NH2 3.13Å; S14-R18 WeakPolarHBondContact O-CG 3.29Å; S14-R18 PolarHBondContact O-N 2.91Å; R18-Q20 VanDerWaalsContact C-N 3.34Å; R18-Q20 PolarHBondContact O-N 3Å; R18-A21 PolarHBondContact O-N 3.39Å; R18-A21 VanDerWaalsContact O-N 3.15Å; R18-E22 WeakPolarHBondContact O-CB 3.41Å; R18-E22 PolarHBondContact O-N 2.78Å; R18-H284 HydrophobicContact CG-CB 4.26Å |
| 19 | G | 96.5 | Very high | 95 | Very high | 39 Ų | 39 | 44.7 Ų | 44.7 | 40% | 0.402 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.1 | -36.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114 | A15 Y16 A23 | A15-G19 PolarHBondContact O-N 3.1Å; Y16-G19 PolarHBondContact O-N 2.86Å; G19-A23 WeakPolarHBondContact O-CB 3.3Å; G19-A23 PolarHBondContact O-N 2.97Å |
| 20 | Q | 96.7 | Very high | 95.6 | Very high | 58 Ų | 58 | 47.8 Ų | 47.8 | 27% | 0.271 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67.2 | -38.3 | 172.2 | -73.6 | -62.1 | 147.7 | 0 | 0 | 112.1 | Y16 I17 R18 E24 | Y16-Q20 HydrophobicContact CD2-CG 4.25Å; Y16-Q20 HydrophobicContact CE1-CG 4.03Å; Y16-Q20 HydrophobicContact CE2-CG 3.68Å; Y16-Q20 WeakPolarHBondContact O-CG 3.45Å; Y16-Q20 PolarHBondContact O-N 3.06Å; Y16-Q20 PolarHBondContact OH-OE1 2.98Å; Y16-Q20 VanDerWaalsContact OH-OE1 3.07Å; I17-Q20 PolarHBondContact O-N 3.24Å; R18-Q20 VanDerWaalsContact C-N 3.34Å; R18-Q20 PolarHBondContact O-N 3Å; Q20-E24 WeakPolarHBondContact O-CB 3.31Å; Q20-E24 PolarHBondContact O-N 3.32Å; Q20-E24 VanDerWaalsContact O-N 3.09Å |
| 21 | A | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.6 | -42.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I17 R18 E24 L25 V243 H284 L285 | I17-A21 PolarHBondContact O-N 2.96Å; R18-A21 PolarHBondContact O-N 3.39Å; R18-A21 VanDerWaalsContact O-N 3.15Å; A21-E24 PolarHBondContact O-N 2.93Å; A21-L25 WeakPolarHBondContact O-CB 3.44Å; A21-L25 PolarHBondContact O-N 3.27Å; A21-V243 HydrophobicContact CB-CG1 4.4Å; A21-V243 HydrophobicContact CB-CG2 4.34Å; A21-H284 HydrophobicContact CB-CB 4.49Å; A21-L285 HydrophobicContact CB-CD2 4.33Å; A21-L285 HydrophobicContact CB-CG 4.21Å |
| 22 | E | 97.6 | Very high | 96.3 | Very high | 85 Ų | 85 | 42.1 Ų | 42.1 | 40% | 0.397 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63 | -43.3 | 176.4 | -173.2 | 63 | -168.5 | 0 | 0 | 112.3 | R18 L25 S26 H284 | R18-E22 WeakPolarHBondContact O-CB 3.41Å; R18-E22 PolarHBondContact O-N 2.78Å; E22-L25 PolarHBondContact O-N 3.28Å; E22-S26 VanDerWaalsContact O-CB 3.29Å; E22-S26 WeakPolarHBondContact O-CB 3.36Å; E22-S26 PolarHBondContact O-N 3.46Å; E22-S26 PolarHBondContact O-OG 3.05Å; E22-H284 IonicContact OE2-CD2 3.69Å; E22-H284 IonicContact OE2-CE1 3.23Å; E22-H284 IonicContact OE2-NE2 3.65Å; E22-H284 PolarHBondContact OE2-NE2 3.06Å |
| 23 | A | 97.3 | Very high | 96.7 | Very high | 47 Ų | 47 | 43 Ų | 43 | 39% | 0.388 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.6 | -42.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | G19 L25 S26 D27 | G19-A23 WeakPolarHBondContact O-CB 3.3Å; G19-A23 PolarHBondContact O-N 2.97Å; A23-L25 PolarHBondContact O-N 3.3Å; A23-S26 PolarHBondContact O-N 3.31Å; A23-D27 PolarHBondContact O-N 3.49Å |
| 24 | E | 97.4 | Very high | 97 | Very high | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.019 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.9 | -40.7 | 177.9 | -156.8 | 65.5 | -139 | 0 | 0 | 112.6 | Q20 A21 F28 F218 R222 M239 V243 K246 | Q20-E24 WeakPolarHBondContact O-CB 3.31Å; Q20-E24 PolarHBondContact O-N 3.32Å; Q20-E24 VanDerWaalsContact O-N 3.09Å; A21-E24 PolarHBondContact O-N 2.93Å; E24-F28 VanDerWaalsContact O-CB 3.29Å; E24-F28 WeakPolarHBondContact O-CB 3.31Å; E24-F28 PolarHBondContact O-N 3.38Å; E24-F28 VanDerWaalsContact O-N 3.12Å; E24-F218 WeakPolarHBondContact OE1-CZ 3.37Å; E24-R222 IonicContact OE1-CZ 2.71Å; E24-R222 IonicContact OE1-NH1 3.38Å; E24-R222 PolarHBondContact OE1-NH1 3.04Å; E24-R222 IonicContact OE1-NH2 3.68Å; E24-R222 PolarHBondContact OE1-NH2 2.91Å; E24-M239 HydrophobicContact CG-CE 4.47Å; E24-V243 HydrophobicContact CB-CG2 3.66Å; E24-V243 HydrophobicContact CG-CG2 3.78Å; E24-K246 WeakPolarHBondContact OE1-CE 3.29Å; E24-K246 IonicContact OE1-NZ 3.84Å; E24-K246 PolarHBondContact OE1-NZ 3.21Å; E24-K246 VanDerWaalsContact OE2-CD 3.24Å; E24-K246 WeakPolarHBondContact OE2-CD 3.48Å; E24-K246 VanDerWaalsContact OE2-CE 3.26Å; E24-K246 WeakPolarHBondContact OE2-CE 3.45Å; E24-K246 IonicContact OE2-NZ 3.73Å; E24-K246 PolarHBondContact OE2-NZ 2.86Å |
| 25 | L | 98 | Very high | 97.2 | Very high | 10 Ų | 10 | 43.6 Ų | 43.6 | 5% | 0.052 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.8 | -40.2 | 174.7 | 179.1 | 61.5 | 0 | 0 | 0 | 111.5 | A21 E22 A23 F28 A29 M239 L285 L289 L292 | A21-L25 WeakPolarHBondContact O-CB 3.44Å; A21-L25 PolarHBondContact O-N 3.27Å; E22-L25 PolarHBondContact O-N 3.28Å; A23-L25 PolarHBondContact O-N 3.3Å; L25-F28 HydrophobicContact CD1-CD1 4.3Å; L25-F28 PolarHBondContact O-N 3.41Å; L25-A29 WeakPolarHBondContact O-CB 3.46Å; L25-A29 PolarHBondContact O-N 2.72Å; L25-M239 HydrophobicContact CB-CE 4.47Å; L25-M239 HydrophobicContact CD1-CE 4.3Å; L25-L285 HydrophobicContact CB-CD2 4.04Å; L25-L289 HydrophobicContact CD1-CD2 3.56Å; L25-L289 HydrophobicContact CD1-CG 3.91Å; L25-L292 HydrophobicContact CD1-CD2 4.11Å |
| 26 | S | 97.8 | Very high | 97.3 | Very high | 67 Ų | 67 | 41.7 Ų | 41.7 | 47% | 0.469 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.7 | -45 | 177.4 | -64 | 0 | 0 | 0 | 0 | 112 | E22 A23 F28 P30 | E22-S26 VanDerWaalsContact O-CB 3.29Å; E22-S26 WeakPolarHBondContact O-CB 3.36Å; E22-S26 PolarHBondContact O-N 3.46Å; E22-S26 PolarHBondContact O-OG 3.05Å; A23-S26 PolarHBondContact O-N 3.31Å; S26-F28 VanDerWaalsContact C-N 3.29Å; S26-F28 PolarHBondContact O-N 2.71Å; S26-P30 VanDerWaalsContact O-CD 3.29Å; S26-P30 WeakPolarHBondContact O-CD 3.27Å |
| 27 | D | 97.9 | Very high | 97.4 | Very high | 86 Ų | 86 | 37 Ų | 37 | 46% | 0.46 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -61.6 | -37 | 173.7 | -74.9 | -1 | 0 | 0 | 0 | 111.5 | A23 Y31 F218 R222 | A23-D27 PolarHBondContact O-N 3.49Å; D27-Y31 WeakPolarHBondContact O-CD2 3.1Å; D27-Y31 WeakPolarHBondContact O-CE2 3.12Å; D27-F218 HydrophobicContact CB-CE2 3.63Å; D27-F218 HydrophobicContact CB-CZ 3.82Å; D27-R222 IonicContact OD2-NH2 3.9Å; D27-R222 PolarHBondContact OD2-NH2 3.35Å |
| 28 | F | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -77.2 | -34.6 | -177.3 | 170.6 | -104.8 | 0 | 0 | 0 | 113.6 | E24 L25 S26 P30 Y31 Y32 F211 A214 I215 F218 M239 L289 | E24-F28 VanDerWaalsContact O-CB 3.29Å; E24-F28 WeakPolarHBondContact O-CB 3.31Å; E24-F28 PolarHBondContact O-N 3.38Å; E24-F28 VanDerWaalsContact O-N 3.12Å; L25-F28 HydrophobicContact CD1-CD1 4.3Å; L25-F28 PolarHBondContact O-N 3.41Å; S26-F28 VanDerWaalsContact C-N 3.29Å; S26-F28 PolarHBondContact O-N 2.71Å; F28-P30 VanDerWaalsContact C-CD 3.46Å; F28-Y31 WeakPolarHBondContact O-CB 3.49Å; F28-Y31 PolarHBondContact O-N 3.28Å; F28-Y31 VanDerWaalsContact O-N 3.08Å; F28-Y32 HydrophobicContact CE1-CD2 4.28Å; F28-Y32 HydrophobicContact CE1-CG 4.06Å; F28-Y32 HydrophobicContact CZ-CD2 4.1Å; F28-Y32 HydrophobicContact CZ-CG 4.27Å; F28-Y32 PolarHBondContact O-N 3.42Å; F28-F211 HydrophobicContact CE1-CD2 4.12Å; F28-F211 AromaticContact CE1-CE2 4Å; F28-F211 HydrophobicContact CE1-CE2 4Å; F28-F211 AromaticContact CZ-CD2 3.65Å; F28-F211 HydrophobicContact CZ-CD2 3.65Å; F28-F211 AromaticContact CZ-CE2 3.63Å; F28-F211 HydrophobicContact CZ-CE2 3.63Å; F28-A214 HydrophobicContact CE2-CB 3.56Å; F28-A214 HydrophobicContact CZ-CB 3.8Å; F28-I215 HydrophobicContact CD2-CD1 4Å; F28-I215 HydrophobicContact CE2-CD1 3.46Å; F28-I215 VanDerWaalsContact CE2-CD1 3.46Å; F28-I215 HydrophobicContact CE2-CG1 3.77Å; F28-I215 HydrophobicContact CZ-CD1 4Å; F28-I215 HydrophobicContact CZ-CG1 4.18Å; F28-F218 HydrophobicContact CB-CD1 4.47Å; F28-F218 HydrophobicContact CB-CD2 4.46Å; F28-F218 HydrophobicContact CB-CE1 4.08Å; F28-F218 HydrophobicContact CB-CE2 4.08Å; F28-F218 HydrophobicContact CB-CZ 3.85Å; F28-F218 HydrophobicContact CD2-CB 4.29Å; F28-F218 HydrophobicContact CD2-CD1 4.02Å; F28-F218 HydrophobicContact CD2-CE1 4.41Å; F28-F218 HydrophobicContact CD2-CG 4.08Å; F28-M239 HydrophobicContact CB-CE 3.7Å; F28-M239 HydrophobicContact CB-SD 4.3Å; F28-M239 HydrophobicContact CD1-CE 3.82Å; F28-M239 HydrophobicContact CD1-SD 3.88Å; F28-M239 HydrophobicContact CD2-SD 4.01Å; F28-M239 HydrophobicContact CE1-SD 4.16Å; F28-M239 HydrophobicContact CE2-SD 4.29Å; F28-M239 HydrophobicContact CG-CE 3.76Å; F28-M239 HydrophobicContact CG-SD 3.79Å; F28-M239 HydrophobicContact CZ-SD 4.37Å; F28-L289 HydrophobicContact CE1-CD2 4.2Å |
| 29 | A | 98.3 | Very high | 97.4 | Very high | 6 Ų | 6 | 35.2 Ų | 35.2 | 5% | 0.05 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.5 | -36.5 | -169.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | L25 Y31 Y32 R33 L292 | L25-A29 WeakPolarHBondContact O-CB 3.46Å; L25-A29 PolarHBondContact O-N 2.72Å; A29-Y31 PolarHBondContact O-N 3.37Å; A29-Y32 PolarHBondContact O-N 2.84Å; A29-R33 VanDerWaalsContact CB-NH1 3.29Å; A29-R33 WeakPolarHBondContact O-CG 3.38Å; A29-R33 PolarHBondContact O-N 2.69Å; A29-L292 HydrophobicContact CB-CD1 3.82Å; A29-L292 HydrophobicContact CB-CD2 3.75Å; A29-L292 HydrophobicContact CB-CG 4.45Å |
| 30 | P | 97.5 | Very high | 97.3 | Very high | 73 Ų | 73 | 35 Ų | 35 | 47% | 0.474 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -58.7 | -44.1 | 173.3 | -25.4 | 35.4 | 0 | 0 | 0 | 113.3 | S26 F28 Y32 R33 K34 | S26-P30 VanDerWaalsContact O-CD 3.29Å; S26-P30 WeakPolarHBondContact O-CD 3.27Å; F28-P30 VanDerWaalsContact C-CD 3.46Å; P30-Y32 VanDerWaalsContact C-N 3.34Å; P30-Y32 PolarHBondContact O-N 2.79Å; P30-R33 PolarHBondContact O-N 3.03Å; P30-K34 PolarHBondContact O-N 2.9Å; P30-K34 VanDerWaalsContact O-N 3.11Å |
| 31 | Y | 98 | Very high | 97.2 | Very high | 65 Ų | 65 | 32.3 Ų | 32.3 | 26% | 0.255 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -61.6 | -44.6 | 176.6 | -58.4 | -98.2 | 0 | 0 | 0 | 110.2 | D27 F28 A29 Q35 L217 F218 | D27-Y31 WeakPolarHBondContact O-CD2 3.1Å; D27-Y31 WeakPolarHBondContact O-CE2 3.12Å; F28-Y31 WeakPolarHBondContact O-CB 3.49Å; F28-Y31 PolarHBondContact O-N 3.28Å; F28-Y31 VanDerWaalsContact O-N 3.08Å; A29-Y31 PolarHBondContact O-N 3.37Å; Y31-Q35 WeakPolarHBondContact O-CB 3.44Å; Y31-Q35 VanDerWaalsContact O-CG 3.25Å; Y31-Q35 WeakPolarHBondContact O-CG 3.22Å; Y31-Q35 PolarHBondContact O-N 3.41Å; Y31-L217 HydrophobicContact CD1-CB 3.93Å; Y31-L217 HydrophobicContact CE1-CB 4.39Å; Y31-F218 HydrophobicContact CD1-CB 4.5Å; Y31-F218 HydrophobicContact CD2-CB 4.45Å; Y31-F218 AromaticContact CD2-CD2 3.78Å; Y31-F218 HydrophobicContact CD2-CD2 3.78Å; Y31-F218 HydrophobicContact CD2-CE2 4.49Å; Y31-F218 AromaticContact CE2-CD2 3.62Å; Y31-F218 HydrophobicContact CE2-CD2 3.62Å; Y31-F218 HydrophobicContact CE2-CE2 4.24Å; Y31-F218 HydrophobicContact CG-CB 4.36Å; Y31-F218 HydrophobicContact CG-CD2 4.49Å |
| 32 | Y | 98.4 | Very high | 96.9 | Very high | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.008 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.6 | -47.9 | 179.4 | -169.7 | -114.7 | 0 | 0 | 0 | 112.8 | F28 A29 P30 K34 Q35 F36 E207 A210 F211 A214 L292 K293 | F28-Y32 HydrophobicContact CE1-CD2 4.28Å; F28-Y32 HydrophobicContact CE1-CG 4.06Å; F28-Y32 HydrophobicContact CZ-CD2 4.1Å; F28-Y32 HydrophobicContact CZ-CG 4.27Å; F28-Y32 PolarHBondContact O-N 3.42Å; A29-Y32 PolarHBondContact O-N 2.84Å; P30-Y32 VanDerWaalsContact C-N 3.34Å; P30-Y32 PolarHBondContact O-N 2.79Å; Y32-K34 VanDerWaalsContact C-N 3.34Å; Y32-K34 PolarHBondContact O-N 2.77Å; Y32-Q35 PolarHBondContact O-N 2.98Å; Y32-F36 AromaticContact CE1-CD2 3.8Å; Y32-F36 HydrophobicContact CE1-CD2 3.8Å; Y32-F36 HydrophobicContact CE1-CE2 4.31Å; Y32-F36 HydrophobicContact CE2-CD2 4.29Å; Y32-F36 AromaticContact CZ-CD2 3.62Å; Y32-F36 WeakPolarHBondContact O-CB 3.15Å; Y32-F36 PolarHBondContact O-N 3.05Å; Y32-F36 WeakPolarHBondContact OH-CD2 3.4Å; Y32-E207 PolarHBondContact OH-O 2.96Å; Y32-E207 VanDerWaalsContact OH-O 3.11Å; Y32-A210 HydrophobicContact CD2-CB 4.43Å; Y32-A210 HydrophobicContact CE2-CB 3.94Å; Y32-F211 HydrophobicContact CD2-CB 4.29Å; Y32-F211 HydrophobicContact CD2-CD2 4.42Å; Y32-F211 HydrophobicContact CE2-CB 3.72Å; Y32-F211 HydrophobicContact CE2-CD2 4.3Å; Y32-A214 HydrophobicContact CD2-CB 4.25Å; Y32-L292 HydrophobicContact CD1-CD2 3.79Å; Y32-L292 HydrophobicContact CD1-CG 3.84Å; Y32-L292 HydrophobicContact CE1-CG 4.47Å; Y32-L292 HydrophobicContact CG-CD2 4.34Å; Y32-K293 HydrophobicContact CE1-CG 3.97Å |
| 33 | R | 97.6 | Very high | 96.6 | Very high | 95 Ų | 95 | 33.4 Ų | 33.4 | 36% | 0.358 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -53.4 | -50.7 | 176.4 | -72.3 | 174.7 | -176.9 | 106.5 | 3 | 111.4 | A29 P30 F36 S37 L292 E295 | A29-R33 VanDerWaalsContact CB-NH1 3.29Å; A29-R33 WeakPolarHBondContact O-CG 3.38Å; A29-R33 PolarHBondContact O-N 2.69Å; P30-R33 PolarHBondContact O-N 3.03Å; R33-F36 PolarHBondContact O-N 3.33Å; R33-S37 PolarHBondContact O-N 2.84Å; R33-L292 HydrophobicContact CG-CD1 4.09Å; R33-E295 IonicContact CZ-OE1 2.9Å; R33-E295 IonicContact CZ-OE2 2.76Å; R33-E295 IonicContact NE-OE1 3.45Å; R33-E295 PolarHBondContact NE-OE1 3.48Å; R33-E295 IonicContact NE-OE2 3.5Å; R33-E295 PolarHBondContact NE-OE2 3.36Å; R33-E295 IonicContact NH2-OE1 2.86Å; R33-E295 PolarHBondContact NH2-OE1 2.76Å; R33-E295 IonicContact NH2-OE2 3.59Å; R33-E295 PolarHBondContact NH2-OE2 2.76Å |
| 34 | K | 96.3 | Very high | 96.3 | Very high | 44 Ų | 44 | 31.2 Ų | 31.2 | 19% | 0.191 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.6 | -44.7 | -179.2 | -177.4 | 55.3 | -176.3 | -94.4 | 0 | 112.1 | P30 Y32 F36 S37 V38 A525 I528 H529 | P30-K34 PolarHBondContact O-N 2.9Å; P30-K34 VanDerWaalsContact O-N 3.11Å; Y32-K34 VanDerWaalsContact C-N 3.34Å; Y32-K34 PolarHBondContact O-N 2.77Å; K34-F36 VanDerWaalsContact C-N 3.31Å; K34-F36 PolarHBondContact O-N 3.39Å; K34-S37 PolarHBondContact O-N 3.25Å; K34-V38 WeakPolarHBondContact O-CG2 3.44Å; K34-V38 PolarHBondContact O-N 3.33Å; K34-V38 VanDerWaalsContact O-N 3.14Å; K34-A525 WeakPolarHBondContact CE-O 3.39Å; K34-A525 PolarHBondContact NZ-O 3.15Å; K34-I528 WeakPolarHBondContact CE-O 3.47Å; K34-I528 PolarHBondContact NZ-O 3.47Å; K34-H529 VanDerWaalsContact CG-CD2 3.45Å; K34-H529 WeakPolarHBondContact CG-CD2 3.32Å |
| 35 | Q | 97.9 | Very high | 95.9 | Very high | 3 Ų | 3 | 32.3 Ų | 32.3 | 1% | 0.014 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -71.2 | -24.2 | 179.3 | -64.5 | -56.7 | -39.2 | 0 | 0 | 113.3 | Y31 Y32 A39 A210 K213 A214 L217 H529 N532 | Y31-Q35 WeakPolarHBondContact O-CB 3.44Å; Y31-Q35 VanDerWaalsContact O-CG 3.25Å; Y31-Q35 WeakPolarHBondContact O-CG 3.22Å; Y31-Q35 PolarHBondContact O-N 3.41Å; Y32-Q35 PolarHBondContact O-N 2.98Å; Q35-A39 WeakPolarHBondContact O-CB 3.36Å; Q35-A39 PolarHBondContact O-N 3.02Å; Q35-A210 HydrophobicContact CB-CB 4.36Å; Q35-K213 HydrophobicContact CB-CB 4.45Å; Q35-K213 HydrophobicContact CG-CB 4.28Å; Q35-K213 HydrophobicContact CG-CG 4.02Å; Q35-A214 HydrophobicContact CB-CB 4.36Å; Q35-A214 HydrophobicContact CG-CB 4.29Å; Q35-L217 HydrophobicContact CG-CD1 4.02Å; Q35-H529 PolarHBondContact NE2-CE1 2.78Å; Q35-H529 PolarHBondContact NE2-ND1 3.03Å; Q35-H529 VanDerWaalsContact NE2-ND1 3.16Å; Q35-N532 PolarHBondContact NE2-OD1 2.98Å; Q35-N532 PolarHBondContact OE1-ND2 3.31Å; Q35-N532 PolarHBondContact OE1-OD1 2.86Å |
| 36 | F | 97.4 | Very high | 95.4 | Very high | 9 Ų | 9 | 36.3 Ų | 36.3 | 4% | 0.039 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.1 | -44.1 | 172.2 | -155.7 | -76 | 0 | 0 | 0 | 111.5 | Y32 R33 K34 A39 R40 E207 A210 C296 K297 I300 | Y32-F36 AromaticContact CE1-CD2 3.8Å; Y32-F36 HydrophobicContact CE1-CD2 3.8Å; Y32-F36 HydrophobicContact CE1-CE2 4.31Å; Y32-F36 HydrophobicContact CE2-CD2 4.29Å; Y32-F36 AromaticContact CZ-CD2 3.62Å; Y32-F36 WeakPolarHBondContact O-CB 3.15Å; Y32-F36 PolarHBondContact O-N 3.05Å; Y32-F36 WeakPolarHBondContact OH-CD2 3.4Å; R33-F36 PolarHBondContact O-N 3.33Å; K34-F36 VanDerWaalsContact C-N 3.31Å; K34-F36 PolarHBondContact O-N 3.39Å; F36-A39 PolarHBondContact O-N 3.45Å; F36-R40 WeakPolarHBondContact O-CB 3.36Å; F36-R40 PolarHBondContact O-N 2.82Å; F36-E207 HydrophobicContact CE2-CB 4.3Å; F36-E207 HydrophobicContact CE2-CG 3.96Å; F36-E207 HydrophobicContact CZ-CG 4.24Å; F36-A210 HydrophobicContact CB-CB 4.17Å; F36-A210 HydrophobicContact CD2-CB 4.22Å; F36-A210 HydrophobicContact CG-CB 4.45Å; F36-C296 HydrophobicContact CB-CB 4.16Å; F36-C296 HydrophobicContact CD1-CB 3.82Å; F36-C296 HydrophobicContact CD2-CB 3.73Å; F36-C296 HydrophobicContact CE1-CB 4.06Å; F36-C296 HydrophobicContact CE2-CB 3.96Å; F36-C296 HydrophobicContact CG-CB 3.65Å; F36-C296 HydrophobicContact CZ-CB 4.13Å; F36-K297 HydrophobicContact CE1-CG 4.46Å; F36-K297 HydrophobicContact CZ-CG 3.96Å; F36-I300 HydrophobicContact CD1-CD1 4.28Å; F36-I300 HydrophobicContact CD1-CG1 3.57Å; F36-I300 HydrophobicContact CE1-CG1 3.73Å |
| 37 | S | 96.1 | Very high | 94.7 | Very high | 7 Ų | 7 | 37.8 Ų | 37.8 | 5% | 0.049 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.6 | -45 | 173.1 | -66.6 | 0 | 0 | 0 | 0 | 112.9 | R33 K34 F41 N526 | R33-S37 PolarHBondContact O-N 2.84Å; K34-S37 PolarHBondContact O-N 3.25Å; S37-F41 WeakPolarHBondContact O-CB 3.29Å; S37-F41 PolarHBondContact O-N 3.19Å; S37-N526 WeakPolarHBondContact CB-O 3.28Å |
| 38 | V | 96.3 | Very high | 93.8 | Very high | 22 Ų | 22 | 39.3 Ų | 39.3 | 13% | 0.133 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.9 | -43.4 | 176.9 | -179.4 | 0 | 0 | 0 | 0 | 111.7 | K34 F41 A42 H529 | K34-V38 WeakPolarHBondContact O-CG2 3.44Å; K34-V38 PolarHBondContact O-N 3.33Å; K34-V38 VanDerWaalsContact O-N 3.14Å; V38-F41 PolarHBondContact O-N 3.06Å; V38-A42 PolarHBondContact O-N 2.96Å; V38-H529 HydrophobicContact CG2-CB 4Å |
| 39 | A | 95.9 | Very high | 92.7 | Very high | 17 Ų | 17 | 43.8 Ų | 43.8 | 14% | 0.14 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.8 | -37.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q35 F36 Q43 A210 | Q35-A39 WeakPolarHBondContact O-CB 3.36Å; Q35-A39 PolarHBondContact O-N 3.02Å; F36-A39 PolarHBondContact O-N 3.45Å; A39-Q43 PolarHBondContact O-N 3.27Å; A39-A210 HydrophobicContact CB-CB 3.98Å |
| 40 | R | 94.8 | Very high | 90.8 | Very high | 34 Ų | 34 | 52.7 Ų | 52.7 | 13% | 0.128 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.4 | -37 | 173.1 | -175 | 67.7 | -175.5 | 129.3 | 6.6 | 111 | F36 Q43 V44 E47 C206 I300 E304 M307 | F36-R40 WeakPolarHBondContact O-CB 3.36Å; F36-R40 PolarHBondContact O-N 2.82Å; R40-Q43 VanDerWaalsContact NH1-OE1 3.15Å; R40-Q43 PolarHBondContact O-N 2.72Å; R40-V44 WeakPolarHBondContact O-CG2 3.27Å; R40-V44 PolarHBondContact O-N 2.91Å; R40-E47 IonicContact CZ-OE1 3.85Å; R40-E47 IonicContact NH1-OE1 3.42Å; R40-E47 PolarHBondContact NH1-OE1 3.44Å; R40-E47 IonicContact NH1-OE2 2.78Å; R40-E47 IonicContact NH2-OE1 3.41Å; R40-E47 IonicContact NH2-OE2 2.71Å; R40-C206 PolarHBondContact N-SG 2.6Å; R40-C206 VanDerWaalsContact N-SG 3.4Å; R40-I300 HydrophobicContact CB-CD1 3.83Å; R40-I300 HydrophobicContact CB-CG1 4.4Å; R40-I300 HydrophobicContact CG-CD1 4.15Å; R40-I300 HydrophobicContact CG-CG2 3.84Å; R40-E304 IonicContact CZ-OE1 3.75Å; R40-E304 IonicContact NE-OE1 2.65Å; R40-E304 IonicContact NH2-OE1 3.83Å; R40-E304 PolarHBondContact NH2-OE1 2.78Å; R40-M307 HydrophobicContact CB-CE 4.05Å; R40-M307 HydrophobicContact CG-CE 3.8Å |
| 41 | F | 94.5 | Very high | 88.8 | Confident | 3 Ų | 3 | 54 Ų | 54 | 1% | 0.013 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.6 | -48.3 | 175.3 | -175.3 | -96.6 | 0 | 0 | 0 | 111.5 | S37 V38 Q43 V44 E45 M307 M311 I314 L315 F527 | S37-F41 WeakPolarHBondContact O-CB 3.29Å; S37-F41 PolarHBondContact O-N 3.19Å; V38-F41 PolarHBondContact O-N 3.06Å; F41-Q43 VanDerWaalsContact C-N 3.29Å; F41-Q43 PolarHBondContact O-N 2.74Å; F41-V44 PolarHBondContact O-N 3.49Å; F41-V44 VanDerWaalsContact O-N 3.12Å; F41-E45 PolarHBondContact O-N 3.47Å; F41-M307 VanDerWaalsContact CA-CE 3.42Å; F41-M307 HydrophobicContact CB-CE 3.83Å; F41-M307 HydrophobicContact CD2-CB 4.45Å; F41-M307 HydrophobicContact CD2-CE 4.22Å; F41-M307 HydrophobicContact CD2-CG 4.46Å; F41-M307 VanDerWaalsContact N-CE 3.34Å; F41-M311 HydrophobicContact CD2-CE 4.36Å; F41-M311 HydrophobicContact CE1-SD 4.23Å; F41-M311 HydrophobicContact CE2-CE 3.74Å; F41-M311 HydrophobicContact CE2-SD 3.63Å; F41-M311 HydrophobicContact CZ-CE 4.01Å; F41-M311 HydrophobicContact CZ-SD 3.35Å; F41-M311 WeakPolarHBondContact CZ-SD 3.32Å; F41-I314 HydrophobicContact CD2-CD1 4.36Å; F41-I314 HydrophobicContact CD2-CG2 4.24Å; F41-I314 HydrophobicContact CE1-CG2 3.87Å; F41-I314 HydrophobicContact CE2-CB 3.88Å; F41-I314 HydrophobicContact CE2-CD1 3.7Å; F41-I314 HydrophobicContact CE2-CG1 4.39Å; F41-I314 HydrophobicContact CE2-CG2 3.55Å; F41-I314 HydrophobicContact CZ-CB 3.75Å; F41-I314 HydrophobicContact CZ-CD1 4.45Å; F41-I314 HydrophobicContact CZ-CG2 3.33Å; F41-L315 HydrophobicContact CE1-CD2 3.88Å; F41-L315 HydrophobicContact CE1-CG 4.47Å; F41-L315 HydrophobicContact CZ-CD2 4.07Å; F41-L315 HydrophobicContact CZ-CG 4.17Å; F41-F527 HydrophobicContact CB-CB 4.08Å; F41-F527 HydrophobicContact CB-CD1 4.46Å; F41-F527 HydrophobicContact CD2-CB 3.97Å; F41-F527 HydrophobicContact CD2-CG 4.18Å; F41-F527 HydrophobicContact CG-CB 3.91Å |
| 42 | A | 92.2 | Very high | 86.7 | Confident | 38 Ų | 38 | 60.6 Ų | 60.6 | 31% | 0.314 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58.8 | -39 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V38 V44 E45 D46 | V38-A42 PolarHBondContact O-N 2.96Å; A42-V44 PolarHBondContact O-N 3.01Å; A42-E45 WeakPolarHBondContact O-CB 3.48Å; A42-E45 PolarHBondContact O-N 3.29Å; A42-D46 WeakPolarHBondContact O-CB 3.42Å; A42-D46 PolarHBondContact O-N 2.76Å |
| 43 | Q | 91.1 | Very high | 84.6 | Confident | 70 Ų | 70 | 68.9 Ų | 68.9 | 33% | 0.327 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.7 | -38.8 | 174.8 | -166.6 | -167.1 | -20.6 | 0 | 0 | 112.5 | A39 R40 F41 E45 D46 E47 | A39-Q43 PolarHBondContact O-N 3.27Å; R40-Q43 VanDerWaalsContact NH1-OE1 3.15Å; R40-Q43 PolarHBondContact O-N 2.72Å; F41-Q43 VanDerWaalsContact C-N 3.29Å; F41-Q43 PolarHBondContact O-N 2.74Å; Q43-E45 VanDerWaalsContact C-N 3.34Å; Q43-D46 PolarHBondContact O-N 3.01Å; Q43-E47 WeakPolarHBondContact CG-OE1 3.5Å; Q43-E47 PolarHBondContact NE2-OE1 2.93Å; Q43-E47 WeakPolarHBondContact O-CB 3.29Å; Q43-E47 VanDerWaalsContact O-CG 3.22Å; Q43-E47 WeakPolarHBondContact O-CG 2.86Å; Q43-E47 PolarHBondContact O-N 3.24Å |
| 44 | V | 90.2 | Very high | 82.6 | Confident | 1 Ų | 1 | 72.9 Ų | 72.9 | 1% | 0.006 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -72.3 | -30.1 | 177 | 178 | 0 | 0 | 0 | 0 | 111.3 | R40 F41 A42 L48 R308 M311 | R40-V44 WeakPolarHBondContact O-CG2 3.27Å; R40-V44 PolarHBondContact O-N 2.91Å; F41-V44 PolarHBondContact O-N 3.49Å; F41-V44 VanDerWaalsContact O-N 3.12Å; A42-V44 PolarHBondContact O-N 3.01Å; V44-L48 WeakPolarHBondContact O-CG 3.43Å; V44-L48 PolarHBondContact O-N 3Å; V44-R308 HydrophobicContact CG1-CG 3.96Å; V44-M311 HydrophobicContact CB-CE 4.23Å; V44-M311 HydrophobicContact CG1-CE 3.74Å |
| 45 | E | 89.5 | Confident | 81 | Confident | 27 Ų | 27 | 78.4 Ų | 78.4 | 13% | 0.126 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -64.9 | -46.8 | 168.5 | -178.7 | 177.3 | -170.7 | 0 | 0 | 111.5 | F41 A42 Q43 E47 L48 Q49 L315 R318 | F41-E45 PolarHBondContact O-N 3.47Å; A42-E45 WeakPolarHBondContact O-CB 3.48Å; A42-E45 PolarHBondContact O-N 3.29Å; Q43-E45 VanDerWaalsContact C-N 3.34Å; E45-E47 VanDerWaalsContact C-N 3.34Å; E45-E47 PolarHBondContact O-N 2.87Å; E45-L48 PolarHBondContact O-N 2.68Å; E45-Q49 WeakPolarHBondContact O-CG 3.31Å; E45-Q49 PolarHBondContact O-N 3.1Å; E45-Q49 PolarHBondContact OE1-NE2 3.44Å; E45-Q49 VanDerWaalsContact OE1-NE2 3.12Å; E45-L315 HydrophobicContact CG-CD2 4.46Å; E45-L315 WeakPolarHBondContact OE1-CD2 3.42Å; E45-R318 IonicContact OE1-CZ 3.01Å; E45-R318 IonicContact OE1-NH1 3.72Å; E45-R318 IonicContact OE1-NH2 3.76Å; E45-R318 PolarHBondContact OE1-NH2 3.3Å; E45-R318 IonicContact OE2-CZ 3.31Å; E45-R318 IonicContact OE2-NH1 2.86Å; E45-R318 PolarHBondContact OE2-NH1 3.12Å; E45-R318 IonicContact OE2-NH2 3.72Å; E45-R318 PolarHBondContact OE2-NH2 2.89Å; E45-R318 VanDerWaalsContact OE2-NH2 3.15Å |
| 46 | D | 86.4 | Confident | 79.9 | Confident | 94 Ų | 94 | 80.8 Ų | 80.8 | 50% | 0.503 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -65.1 | -30.3 | 173.9 | -86.4 | -30.9 | 0 | 0 | 0 | 113.5 | A42 Q43 L48 N51 | A42-D46 WeakPolarHBondContact O-CB 3.42Å; A42-D46 PolarHBondContact O-N 2.76Å; Q43-D46 PolarHBondContact O-N 3.01Å; D46-L48 PolarHBondContact O-N 2.86Å; D46-N51 PolarHBondContact OD1-ND2 3.26Å |
| 47 | E | 84.5 | Confident | 79.2 | Confident | 97 Ų | 97 | 83.6 Ų | 83.6 | 45% | 0.453 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -68.9 | -23.4 | 174.6 | -79.7 | 164.3 | -160.1 | 0 | 0 | 111.9 | R40 Q43 E45 R308 | R40-E47 IonicContact CZ-OE1 3.85Å; R40-E47 IonicContact NH1-OE1 3.42Å; R40-E47 PolarHBondContact NH1-OE1 3.44Å; R40-E47 IonicContact NH1-OE2 2.78Å; R40-E47 IonicContact NH2-OE1 3.41Å; R40-E47 IonicContact NH2-OE2 2.71Å; Q43-E47 WeakPolarHBondContact CG-OE1 3.5Å; Q43-E47 PolarHBondContact NE2-OE1 2.93Å; Q43-E47 WeakPolarHBondContact O-CB 3.29Å; Q43-E47 VanDerWaalsContact O-CG 3.22Å; Q43-E47 WeakPolarHBondContact O-CG 2.86Å; Q43-E47 PolarHBondContact O-N 3.24Å; E45-E47 VanDerWaalsContact C-N 3.34Å; E45-E47 PolarHBondContact O-N 2.87Å; E47-R308 IonicContact OE2-NH2 3.46Å |
| 48 | L | 77.8 | Confident | 78.5 | Confident | 118 Ų | 118 | 83.3 Ų | 83.3 | 62% | 0.618 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -98.4 | -36.1 | 179.1 | -66.2 | 171.2 | 0 | 0 | 0 | 112.8 | V44 E45 D46 Q50 M311 | V44-L48 WeakPolarHBondContact O-CG 3.43Å; V44-L48 PolarHBondContact O-N 3Å; E45-L48 PolarHBondContact O-N 2.68Å; D46-L48 PolarHBondContact O-N 2.86Å; L48-Q50 PolarHBondContact O-N 2.75Å; L48-M311 HydrophobicContact CD1-CE 4.18Å; L48-M311 HydrophobicContact CD1-CG 4.37Å |
| 49 | Q | 74.9 | Confident | 77.7 | Confident | 94 Ų | 94 | 86.2 Ų | 86.2 | 44% | 0.439 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -78.2 | 109.6 | 173.8 | -65.9 | -179.5 | 24.3 | 0 | 0 | 109.4 | E45 N51 | E45-Q49 WeakPolarHBondContact O-CG 3.31Å; E45-Q49 PolarHBondContact O-N 3.1Å; E45-Q49 PolarHBondContact OE1-NE2 3.44Å; E45-Q49 VanDerWaalsContact OE1-NE2 3.12Å; Q49-N51 PolarHBondContact O-N 2.95Å |
| 50 | Q | 59.5 | Low | 76.9 | Confident | 193 Ų | 193 | 90.4 Ų | 90.4 | 90% | 0.902 | 44% | 0.443 | S | S | * | . | trans | -65.4 | 76.8 | 179.9 | -70.1 | -172.9 | -9.4 | 0 | 0 | 112.6 | L48 K52 | L48-Q50 PolarHBondContact O-N 2.75Å; Q50-K52 PolarHBondContact O-N 3.48Å; Q50-K52 VanDerWaalsContact O-N 3.13Å | ||
| 51 | N | 54.4 | Low | 75.7 | Confident | 102 Ų | 102 | 92.8 Ų | 92.8 | 55% | 0.545 | 46% | 0.456 | S | S | . | . | trans | -72.6 | 106.8 | -172.3 | -95.9 | -38.4 | 0 | 0 | 0 | 111.2 | D46 Q49 Q53 | D46-N51 PolarHBondContact OD1-ND2 3.26Å; Q49-N51 PolarHBondContact O-N 2.95Å; N51-Q53 PolarHBondContact O-N 2.95Å; N51-Q53 VanDerWaalsContact O-N 3.1Å | ||
| 52 | K | 54.4 | Low | 73.8 | Confident | 203 Ų | 203 | 101.8 Ų | 101.8 | 88% | 0.883 | 50% | 0.495 | S | S | * | . | trans | -63.7 | 109.8 | 176.5 | -66.5 | -175.8 | 178.9 | -177.2 | 0 | 109.6 | Q50 | Q50-K52 PolarHBondContact O-N 3.48Å; Q50-K52 VanDerWaalsContact O-N 3.13Å | ||
| 53 | Q | 54.7 | Low | 72.3 | Confident | 176 Ų | 176 | 106.4 Ų | 106.4 | 82% | 0.822 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 138.9 | 173.1 | -64.6 | -178.1 | -7.7 | 0 | 0 | 110 | N51 I55 | N51-Q53 PolarHBondContact O-N 2.95Å; N51-Q53 VanDerWaalsContact O-N 3.1Å; Q53-I55 PolarHBondContact O-N 2.94Å |
| 54 | Q | 56.6 | Low | 70.8 | Confident | 179 Ų | 179 | 106.8 Ų | 106.8 | 84% | 0.836 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -68.5 | 122.5 | 173 | -77.1 | -174.4 | -23.9 | 0 | 0 | 109.5 | ||
| 55 | I | 62.5 | Low | 69.5 | Low | 160 Ų | 160 | 109.3 Ų | 109.3 | 82% | 0.821 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -85.5 | 120.1 | -177.9 | -57.9 | 174 | 0 | 0 | 0 | 109.2 | Q53 | Q53-I55 PolarHBondContact O-N 2.94Š|
| 56 | T | 75 | Confident | 68.4 | Low | 53 Ų | 53 | 113.2 Ų | 113.2 | 33% | 0.325 | 56% | 0.558 | S | S | . | * | P | Polyproline II helix | trans | -75.3 | 156 | 170.4 | 51.4 | 0 | 0 | 0 | 0 | 111.6 | L58 E60 | T56-L58 PolarHBondContact OG1-O 2.85Å; T56-E60 WeakPolarHBondContact CG2-OE1 3.33Å; T56-E60 PolarHBondContact OG1-OE1 3.48Å |
| 57 | Q | 81.1 | Confident | 67.7 | Low | 67 Ų | 67 | 115 Ų | 115 | 31% | 0.313 | 56% | 0.563 | S | S | . | * | S | Bend | trans | -84.4 | -34.9 | 176.7 | -68.5 | -163.4 | 18.1 | 0 | 0 | 113.4 | Q476 Y479 D480 | Q57-Q476 HydrophobicContact CB-CB 3.98Å; Q57-Q476 HydrophobicContact CB-CG 4.07Å; Q57-Q476 PolarHBondContact O-NE2 3.29Å; Q57-Y479 HydrophobicContact CB-CD1 4.37Å; Q57-Y479 VanDerWaalsContact CD-CD1 3.42Å; Q57-Y479 HydrophobicContact CG-CD1 3.6Å; Q57-Y479 HydrophobicContact CG-CE1 3.85Å; Q57-Y479 HydrophobicContact CG-CG 4.35Å; Q57-Y479 VanDerWaalsContact NE2-CE1 3.29Å; Q57-D480 PolarHBondContact N-OD1 3.11Å; Q57-D480 PolarHBondContact N-OD2 2.86Å; Q57-D480 VanDerWaalsContact N-OD2 3.1Å |
| 58 | L | 83 | Confident | 67.1 | Low | 2 Ų | 2 | 113.6 Ų | 113.6 | 1% | 0.01 | 57% | 0.568 | C | S | . | * | S | Bend | trans | -73.8 | 152.1 | 169.3 | -66.5 | 173.1 | 0 | 0 | 0 | 110.6 | T56 E60 L439 N442 A443 I473 Q476 F477 D480 | T56-L58 PolarHBondContact OG1-O 2.85Å; L58-E60 PolarHBondContact O-N 3.38Å; L58-L439 HydrophobicContact CD1-CD1 3.77Å; L58-L439 HydrophobicContact CD1-CG 4.45Å; L58-N442 HydrophobicContact CB-CB 4.01Å; L58-N442 HydrophobicContact CD1-CB 4.28Å; L58-A443 HydrophobicContact CD1-CB 3.99Å; L58-A443 HydrophobicContact CD2-CB 4.35Å; L58-I473 HydrophobicContact CD2-CG2 3.68Å; L58-Q476 HydrophobicContact CD2-CB 3.56Å; L58-Q476 HydrophobicContact CG-CB 3.95Å; L58-F477 HydrophobicContact CD1-CB 4.3Å; L58-F477 HydrophobicContact CD1-CD2 4.39Å; L58-D480 WeakPolarHBondContact CB-OD2 3.44Å; L58-D480 WeakPolarHBondContact CG-OD2 3.43Å; L58-D480 PolarHBondContact N-OD2 3.34Å |
| 59 | L | 79.1 | Confident | 67.4 | Low | 82 Ų | 82 | 111.4 Ų | 111.4 | 43% | 0.429 | 56% | 0.556 | S | S | . | * | P | Polyproline II helix | trans | -77.9 | 123.3 | 176.7 | -60.4 | 177.7 | 0 | 0 | 0 | 109.7 | Y445 T446 L449 | L59-Y445 HydrophobicContact CB-CD1 4.16Å; L59-Y445 HydrophobicContact CB-CE1 4.19Å; L59-T446 HydrophobicContact CD1-CG2 4.43Å; L59-T446 HydrophobicContact CG-CG2 4.38Å; L59-T446 PolarHBondContact N-OG1 2.79Å; L59-L449 HydrophobicContact CD1-CD2 3.68Å |
| 60 | E | 78.9 | Confident | 68 | Low | 106 Ų | 106 | 109.2 Ų | 109.2 | 50% | 0.495 | 55% | 0.549 | S | S | . | . | P | Polyproline II helix | trans | -79.4 | 144.8 | 171.4 | -69.1 | -179.9 | 176.9 | 0 | 0 | 111.1 | T56 L58 K62 | T56-E60 WeakPolarHBondContact CG2-OE1 3.33Å; T56-E60 PolarHBondContact OG1-OE1 3.48Å; L58-E60 PolarHBondContact O-N 3.38Å; E60-K62 PolarHBondContact O-N 3.29Å |
| 61 | Q | 68.5 | Low | 69.3 | Low | 83 Ų | 83 | 101.1 Ų | 101.1 | 39% | 0.388 | 51% | 0.512 | S | S | . | . | trans | -74.3 | 86 | 175.2 | -168.4 | -170.1 | -64.3 | 0 | 0 | 110.2 | K63 | Q61-K63 PolarHBondContact NE2-O 3.48Å; Q61-K63 CarbonylContact O-C 3.58Å; Q61-K63 PolarHBondContact O-N 2.95Å | ||
| 62 | K | 54.8 | Low | 71.1 | Confident | 193 Ų | 193 | 97 Ų | 97 | 84% | 0.839 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -53.4 | -17.3 | -174 | -71.5 | -167.7 | 176 | -173.5 | 0 | 116.3 | E60 | E60-K62 PolarHBondContact O-N 3.29Š|
| 63 | K | 60.5 | Low | 72.9 | Confident | 135 Ų | 135 | 91.4 Ų | 91.4 | 59% | 0.587 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -107.8 | 119.3 | 170.1 | -166.3 | -169.3 | -178.3 | -177.5 | 0 | 109.5 | Q61 E66 | Q61-K63 PolarHBondContact NE2-O 3.48Å; Q61-K63 CarbonylContact O-C 3.58Å; Q61-K63 PolarHBondContact O-N 2.95Å; K63-E66 IonicContact NZ-OE1 2.71Å; K63-E66 PolarHBondContact NZ-OE1 3.32Å |
| 64 | A | 59.4 | Low | 74.7 | Confident | 77 Ų | 77 | 84.4 Ų | 84.4 | 64% | 0.636 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -54.4 | 140.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | E66 | A64-E66 PolarHBondContact O-N 3.11Š|
| 65 | P | 62.9 | Low | 76.5 | Confident | 54 Ų | 54 | 77.8 Ų | 77.8 | 35% | 0.351 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 132.6 | 173.1 | -23.3 | 33.3 | 0 | 0 | 0 | 110.9 | E67 I69 A94 | P65-E67 PolarHBondContact O-N 3.49Å; P65-I69 HydrophobicContact CB-CD1 4.11Å; P65-A94 HydrophobicContact CB-CB 4.02Å |
| 66 | E | 67.6 | Low | 77.9 | Confident | 110 Ų | 110 | 70.2 Ų | 70.2 | 51% | 0.514 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 131.6 | 175.8 | -70.4 | 165.1 | -158.3 | 0 | 0 | 109.9 | K63 A64 A68 I69 | K63-E66 IonicContact NZ-OE1 2.71Å; K63-E66 PolarHBondContact NZ-OE1 3.32Å; A64-E66 PolarHBondContact O-N 3.11Å; E66-A68 PolarHBondContact O-N 2.96Å; E66-I69 HydrophobicContact CB-CD1 4.13Å; E66-I69 HydrophobicContact CB-CG1 4.23Å; E66-I69 VanDerWaalsContact O-CB 3.28Å; E66-I69 WeakPolarHBondContact O-CB 3.25Å; E66-I69 VanDerWaalsContact O-CG1 3.3Å; E66-I69 WeakPolarHBondContact O-CG1 3.5Å; E66-I69 PolarHBondContact O-N 3.47Å |
| 67 | E | 72.2 | Confident | 78.8 | Confident | 130 Ų | 130 | 70.4 Ų | 70.4 | 61% | 0.607 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -23.3 | -171.4 | -68.1 | -164.6 | -151.8 | 0 | 0 | 114.4 | P65 I69 N95 | P65-E67 PolarHBondContact O-N 3.49Å; E67-I69 VanDerWaalsContact C-N 3.28Å; E67-I69 PolarHBondContact O-N 3.4Å; E67-N95 HydrophobicContact CB-CB 4.32Å; E67-N95 HydrophobicContact CG-CB 4.06Å; E67-N95 PolarHBondContact OE2-ND2 2.88Å |
| 68 | A | 71.7 | Confident | 79.3 | Confident | 68 Ų | 68 | 67.7 Ų | 67.7 | 56% | 0.562 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -21.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | E66 V70 R93 | E66-A68 PolarHBondContact O-N 2.96Å; A68-V70 PolarHBondContact O-N 3.28Å; A68-R93 PolarHBondContact O-NH1 3.28Å; A68-R93 VanDerWaalsContact O-NH1 3.12Å |
| 69 | I | 83.9 | Confident | 79.6 | Confident | 73 Ų | 73 | 68.3 Ų | 68.3 | 37% | 0.374 | 36% | 0.358 | S | S | . | . | trans | -59.4 | 130.8 | -177.2 | -68.1 | 172.4 | 0 | 0 | 0 | 110.2 | P65 E66 E67 R93 A94 | P65-I69 HydrophobicContact CB-CD1 4.11Å; E66-I69 HydrophobicContact CB-CD1 4.13Å; E66-I69 HydrophobicContact CB-CG1 4.23Å; E66-I69 VanDerWaalsContact O-CB 3.28Å; E66-I69 WeakPolarHBondContact O-CB 3.25Å; E66-I69 VanDerWaalsContact O-CG1 3.3Å; E66-I69 WeakPolarHBondContact O-CG1 3.5Å; E66-I69 PolarHBondContact O-N 3.47Å; E67-I69 VanDerWaalsContact C-N 3.28Å; E67-I69 PolarHBondContact O-N 3.4Å; I69-R93 CarbonylContact O-C 3.37Å; I69-R93 WeakPolarHBondContact O-CA 3.37Å; I69-A94 HydrophobicContact CB-CB 4.1Å; I69-A94 PolarHBondContact O-N 3.36Å | ||
| 70 | V | 87.9 | Confident | 79.9 | Confident | 47 Ų | 47 | 65.5 Ų | 65.5 | 29% | 0.285 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 128.9 | 174.2 | 179.6 | 0 | 0 | 0 | 0 | 109.2 | A68 Y72 D73 V91 Y107 | A68-V70 PolarHBondContact O-N 3.28Å; V70-Y72 WeakPolarHBondContact CG1-O 3.45Å; V70-D73 HydrophobicContact CG1-CB 4.11Å; V70-V91 HydrophobicContact CG1-CG1 3.96Å; V70-V91 HydrophobicContact CG2-CG1 4Å; V70-Y107 VanDerWaalsContact CG2-OH 3.25Å; V70-Y107 WeakPolarHBondContact CG2-OH 3.38Å |
| 71 | L | 86.9 | Confident | 80.1 | Confident | 23 Ų | 23 | 66.3 Ų | 66.3 | 12% | 0.12 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | -32.8 | 170.6 | -56.4 | -174 | 0 | 0 | 0 | 111.7 | V92 A94 Y96 F188 | L71-V92 HydrophobicContact CB-CB 4.49Å; L71-V92 HydrophobicContact CB-CG1 4.21Å; L71-V92 HydrophobicContact CD1-CG1 4.22Å; L71-V92 PolarHBondContact N-O 3.18Å; L71-A94 HydrophobicContact CD2-CB 4.33Å; L71-Y96 HydrophobicContact CD1-CD1 4.13Å; L71-Y96 HydrophobicContact CD1-CE1 3.7Å; L71-F188 HydrophobicContact CB-CD1 4.29Å; L71-F188 HydrophobicContact CB-CE1 4.07Å; L71-F188 WeakPolarHBondContact O-CE1 3.14Å; L71-F188 WeakPolarHBondContact O-CZ 3.36Å |
| 72 | Y | 90.8 | Very high | 80.8 | Confident | 16 Ų | 16 | 65 Ų | 65 | 6% | 0.063 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 137.7 | -178.6 | 168 | -94.3 | 0 | 0 | 0 | 110.5 | V70 D74 V91 V92 T184 F185 F188 | V70-Y72 WeakPolarHBondContact CG1-O 3.45Å; Y72-D74 HydrophobicContact CE1-CB 4.01Å; Y72-D74 HydrophobicContact CE2-CB 3.97Å; Y72-D74 VanDerWaalsContact CZ-CB 3.46Å; Y72-D74 WeakPolarHBondContact OH-CB 3.47Å; Y72-D74 PolarHBondContact OH-OD2 2.86Å; Y72-V91 CarbonylContact O-C 3.56Å; Y72-V91 WeakPolarHBondContact O-CA 3.41Å; Y72-V92 HydrophobicContact CD1-CG2 4.2Å; Y72-V92 PolarHBondContact O-N 3.43Å; Y72-T184 HydrophobicContact CD2-CG2 4.2Å; Y72-T184 HydrophobicContact CE2-CG2 4Å; Y72-F185 AromaticContact CE1-CD2 3.75Å; Y72-F185 HydrophobicContact CE1-CD2 3.75Å; Y72-F185 HydrophobicContact CE1-CE2 4.38Å; Y72-F185 AromaticContact CZ-CD2 3.96Å; Y72-F188 AromaticContact CD2-CD2 3.46Å; Y72-F188 HydrophobicContact CD2-CD2 3.46Å; Y72-F188 VanDerWaalsContact CD2-CD2 3.46Å; Y72-F188 AromaticContact CD2-CE2 3.59Å; Y72-F188 HydrophobicContact CD2-CE2 3.59Å; Y72-F188 HydrophobicContact CD2-CG 4.34Å; Y72-F188 HydrophobicContact CE2-CD2 4.26Å; Y72-F188 AromaticContact CG-CD2 3.67Å; Y72-F188 HydrophobicContact CG-CD2 3.67Å; Y72-F188 HydrophobicContact CG-CE2 4.03Å; Y72-F188 HydrophobicContact CG-CG 4.1Å |
| 73 | D | 92.4 | Very high | 82.3 | Confident | 85 Ų | 85 | 62.4 Ų | 62.4 | 46% | 0.455 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 136.7 | 163.9 | 64.8 | -58.1 | 0 | 0 | 0 | 111.5 | V70 V90 V91 | V70-D73 HydrophobicContact CG1-CB 4.11Å; D73-V90 WeakPolarHBondContact CA-O 3.23Å; D73-V91 HydrophobicContact CB-CG2 4.16Å |
| 74 | D | 93.3 | Very high | 83.6 | Confident | 30 Ų | 30 | 61.8 Ų | 61.8 | 16% | 0.16 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 161.8 | 178.2 | -158 | -5.8 | 0 | 0 | 0 | 111.7 | Y72 V76 I89 V90 K181 | Y72-D74 HydrophobicContact CE1-CB 4.01Å; Y72-D74 HydrophobicContact CE2-CB 3.97Å; Y72-D74 VanDerWaalsContact CZ-CB 3.46Å; Y72-D74 WeakPolarHBondContact OH-CB 3.47Å; Y72-D74 PolarHBondContact OH-OD2 2.86Å; D74-V76 HydrophobicContact CB-CG2 4.39Å; D74-I89 WeakPolarHBondContact O-CA 3.45Å; D74-V90 PolarHBondContact N-O 3.36Å; D74-V90 PolarHBondContact O-N 3.34Å; D74-K181 IonicContact OD1-NZ 2.95Å; D74-K181 PolarHBondContact OD1-NZ 3.16Å; D74-K181 IonicContact OD2-NZ 2.67Å; D74-K181 PolarHBondContact OD2-NZ 3.1Å |
| 75 | A | 93.1 | Very high | 85.1 | Confident | 40 Ų | 40 | 60.1 Ų | 60.1 | 33% | 0.331 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 111.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | E87 I89 | A75-E87 HydrophobicContact CB-CG 4.11Å; A75-I89 HydrophobicContact CB-CD1 3.8Å |
| 76 | V | 93.2 | Very high | 86.5 | Confident | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.006 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 142.4 | -176.4 | -174.7 | 0 | 0 | 0 | 0 | 109.9 | D74 Y78 R88 V90 F174 F176 | D74-V76 HydrophobicContact CB-CG2 4.39Å; V76-Y78 PolarHBondContact O-N 3.14Å; V76-R88 PolarHBondContact N-O 2.73Å; V76-R88 PolarHBondContact O-N 2.67Å; V76-V90 HydrophobicContact CB-CG2 3.95Å; V76-V90 HydrophobicContact CG2-CB 4.1Å; V76-V90 HydrophobicContact CG2-CG2 4.01Å; V76-F174 HydrophobicContact CG1-CB 3.89Å; V76-F174 HydrophobicContact CG1-CD1 3.8Å; V76-F174 HydrophobicContact CG1-CG 4.28Å; V76-F176 HydrophobicContact CB-CE1 4.4Å; V76-F176 HydrophobicContact CB-CZ 4.4Å; V76-F176 HydrophobicContact CG1-CE1 3.83Å; V76-F176 HydrophobicContact CG1-CE2 4.11Å; V76-F176 HydrophobicContact CG1-CZ 3.47Å; V76-F176 VanDerWaalsContact CG1-CZ 3.47Å; V76-F176 HydrophobicContact CG2-CE1 3.89Å; V76-F176 HydrophobicContact CG2-CZ 4.05Å |
| 77 | W | 92.7 | Very high | 87.7 | Confident | 57 Ų | 57 | 61.4 Ų | 61.4 | 22% | 0.216 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 111.5 | 171.1 | -72.5 | 77.4 | 0 | 0 | 0 | 109.4 | W85 R86 E87 P157 F174 C175 | W77-W85 HydrophobicContact CB-CE3 4.41Å; W77-W85 HydrophobicContact CE3-CB 4.26Å; W77-R86 CarbonylContact C-O 3.58Å; W77-R86 WeakPolarHBondContact CA-O 3.5Å; W77-R86 VanDerWaalsContact CE3-C 3.47Å; W77-E87 HydrophobicContact CD2-CB 4.35Å; W77-E87 VanDerWaalsContact CE2-OE1 3.29Å; W77-E87 HydrophobicContact CH2-CB 4.18Å; W77-E87 HydrophobicContact CZ2-CB 3.91Å; W77-E87 HydrophobicContact CZ2-CG 4.22Å; W77-E87 WeakPolarHBondContact CZ2-OE1 3.45Å; W77-E87 HydrophobicContact CZ3-CB 4.47Å; W77-E87 PolarHBondContact NE1-OE1 3.15Å; W77-P157 HydrophobicContact CB-CB 4.42Å; W77-P157 HydrophobicContact CB-CG 4.18Å; W77-P157 HydrophobicContact CD2-CB 3.65Å; W77-P157 HydrophobicContact CD2-CG 3.65Å; W77-P157 HydrophobicContact CE3-CB 3.86Å; W77-P157 HydrophobicContact CE3-CG 3.39Å; W77-P157 HydrophobicContact CG-CB 3.89Å; W77-P157 HydrophobicContact CG-CG 3.99Å; W77-P157 HydrophobicContact CZ3-CB 4.45Å; W77-P157 HydrophobicContact CZ3-CG 4.05Å; W77-F174 CarbonylContact O-C 3.59Å; W77-F174 VanDerWaalsContact O-CA 3.28Å; W77-F174 WeakPolarHBondContact O-CA 3.44Å; W77-C175 HydrophobicContact CB-CB 4.16Å; W77-C175 WeakPolarHBondContact CB-O 3.4Å; W77-C175 PolarHBondContact N-O 2.78Å; W77-C175 PolarHBondContact O-N 2.84Å |
| 78 | Y | 91.7 | Very high | 88.7 | Confident | 9 Ų | 9 | 56.6 Ų | 56.6 | 4% | 0.035 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 142.5 | 179.7 | 171.2 | -111.7 | 0 | 0 | 0 | 110.2 | V76 D80 W85 R86 R88 Y115 Y172 Y173 F174 | V76-Y78 PolarHBondContact O-N 3.14Å; Y78-D80 HydrophobicContact CD1-CB 4.32Å; Y78-D80 HydrophobicContact CE1-CB 4.15Å; Y78-W85 WeakPolarHBondContact O-CA 3.43Å; Y78-R86 PolarHBondContact N-O 3.5Å; Y78-R86 PolarHBondContact O-N 2.92Å; Y78-R88 HydrophobicContact CD1-CG 4.32Å; Y78-Y115 HydrophobicContact CE1-CE1 4.02Å; Y78-Y115 VanDerWaalsContact CE1-OH 3.23Å; Y78-Y115 WeakPolarHBondContact CE1-OH 3.38Å; Y78-Y115 WeakPolarHBondContact CE2-OH 3.35Å; Y78-Y115 AromaticContact CZ-CZ 3.88Å; Y78-Y172 AromaticContact CE2-CD1 3.92Å; Y78-Y172 HydrophobicContact CE2-CD1 3.92Å; Y78-Y173 WeakPolarHBondContact CA-O 3.05Å; Y78-Y173 VanDerWaalsContact CD2-O 3.29Å; Y78-Y173 WeakPolarHBondContact CD2-O 3.22Å; Y78-F174 HydrophobicContact CD2-CD1 4.05Å; Y78-F174 AromaticContact CD2-CE1 3.82Å; Y78-F174 HydrophobicContact CD2-CE1 3.82Å; Y78-F174 HydrophobicContact CD2-CZ 4.41Å |
| 79 | F | 91.1 | Very high | 89.8 | Confident | 16 Ų | 16 | 54.1 Ų | 54.1 | 7% | 0.07 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 110 | 173.4 | -170.2 | -103.7 | 0 | 0 | 0 | 109.7 | R83 W85 P151 Y173 | F79-R83 HydrophobicContact CE1-CB 4.13Å; F79-R83 HydrophobicContact CE1-CG 4.06Å; F79-R83 VanDerWaalsContact CE2-C 3.49Å; F79-R83 WeakPolarHBondContact CE2-O 3.44Å; F79-R83 HydrophobicContact CZ-CB 3.74Å; F79-R83 HydrophobicContact CZ-CG 4.13Å; F79-W85 HydrophobicContact CB-CD2 4.13Å; F79-W85 HydrophobicContact CB-CE3 3.89Å; F79-W85 HydrophobicContact CB-CH2 4.07Å; F79-W85 HydrophobicContact CB-CZ2 4.3Å; F79-W85 HydrophobicContact CB-CZ3 3.86Å; F79-W85 AromaticContact CD2-CD1 3.97Å; F79-W85 AromaticContact CD2-CD2 3.88Å; F79-W85 HydrophobicContact CD2-CD2 3.88Å; F79-W85 AromaticContact CD2-CE2 3.75Å; F79-W85 HydrophobicContact CD2-CE3 4.5Å; F79-W85 HydrophobicContact CD2-CG 4.03Å; F79-W85 HydrophobicContact CD2-CZ2 4.28Å; F79-W85 AromaticContact CD2-NE1 3.78Å; F79-P151 HydrophobicContact CD1-CB 3.96Å; F79-P151 HydrophobicContact CD1-CG 4.02Å; F79-P151 HydrophobicContact CD2-CB 4.07Å; F79-P151 HydrophobicContact CE1-CB 3.99Å; F79-P151 HydrophobicContact CE1-CG 4.32Å; F79-P151 HydrophobicContact CE2-CB 4.12Å; F79-P151 HydrophobicContact CG-CB 3.98Å; F79-P151 HydrophobicContact CG-CG 4.29Å; F79-P151 HydrophobicContact CZ-CB 4.07Å; F79-Y173 HydrophobicContact CB-CD2 4.28Å; F79-Y173 HydrophobicContact CD1-CD2 4.1Å; F79-Y173 PolarHBondContact N-O 2.97Å |
| 80 | D | 85.4 | Confident | 90.4 | Very high | 23 Ų | 23 | 50.6 Ų | 50.6 | 12% | 0.123 | 24% | 0.244 | C | C | . | . | trans | -83.4 | 169 | -171.9 | 79.6 | -3.5 | 0 | 0 | 0 | 114.5 | Y78 S82 R83 K84 R86 | Y78-D80 HydrophobicContact CD1-CB 4.32Å; Y78-D80 HydrophobicContact CE1-CB 4.15Å; D80-S82 PolarHBondContact O-N 3.31Å; D80-S82 VanDerWaalsContact O-N 3.14Å; D80-S82 VanDerWaalsContact OD1-C 3.26Å; D80-S82 VanDerWaalsContact OD1-CA 3.23Å; D80-S82 WeakPolarHBondContact OD1-CA 3.43Å; D80-S82 VanDerWaalsContact OD1-CB 3.29Å; D80-S82 WeakPolarHBondContact OD1-CB 3.37Å; D80-S82 PolarHBondContact OD1-N 3.33Å; D80-S82 PolarHBondContact OD1-OG 3.18Å; D80-S82 PolarHBondContact OD2-OG 2.84Å; D80-R83 VanDerWaalsContact O-CA 3.31Å; D80-R83 WeakPolarHBondContact O-CA 3.46Å; D80-R83 PolarHBondContact O-N 3.28Å; D80-R83 PolarHBondContact OD1-N 3.05Å; D80-R83 VanDerWaalsContact OD1-N 3.16Å; D80-K84 PolarHBondContact N-O 3.31Å; D80-K84 PolarHBondContact OD1-N 3.47Å; D80-R86 WeakPolarHBondContact OD2-CD 3.35Å; D80-R86 IonicContact OD2-CZ 2.66Å; D80-R86 IonicContact OD2-NE 2.73Å; D80-R86 PolarHBondContact OD2-NE 3.26Å; D80-R86 IonicContact OD2-NH2 2.99Å; D80-R86 PolarHBondContact OD2-NH2 3.12Å | ||
| 81 | D | 82.2 | Confident | 90.7 | Very high | 122 Ų | 122 | 48.4 Ų | 48.4 | 65% | 0.652 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -18.8 | 175.7 | -60.9 | -57.6 | 0 | 0 | 0 | 112.9 | R83 R170 | D81-R83 PolarHBondContact O-N 2.96Å; D81-R170 IonicContact OD1-NH1 3.36Å; D81-R170 PolarHBondContact OD1-NH1 2.85Å; D81-R170 IonicContact OD2-CZ 2.57Å; D81-R170 IonicContact OD2-NH1 2.66Å; D81-R170 PolarHBondContact OD2-NH1 2.84Å |
| 82 | S | 84.3 | Confident | 91 | Very high | 57 Ų | 57 | 47.3 Ų | 47.3 | 40% | 0.399 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | 5.2 | 169.7 | 90.1 | 0 | 0 | 0 | 0 | 113.6 | D80 R86 | D80-S82 PolarHBondContact O-N 3.31Å; D80-S82 VanDerWaalsContact O-N 3.14Å; D80-S82 VanDerWaalsContact OD1-C 3.26Å; D80-S82 VanDerWaalsContact OD1-CA 3.23Å; D80-S82 WeakPolarHBondContact OD1-CA 3.43Å; D80-S82 VanDerWaalsContact OD1-CB 3.29Å; D80-S82 WeakPolarHBondContact OD1-CB 3.37Å; D80-S82 PolarHBondContact OD1-N 3.33Å; D80-S82 PolarHBondContact OD1-OG 3.18Å; D80-S82 PolarHBondContact OD2-OG 2.84Å; S82-R86 PolarHBondContact OG-NH2 3.39Å; S82-R86 VanDerWaalsContact OG-NH2 3.07Å |
| 83 | R | 84.6 | Confident | 91.1 | Very high | 137 Ų | 137 | 48.9 Ų | 48.9 | 52% | 0.517 | 23% | 0.231 | S | C | . | . | S | Bend | trans | 58.9 | 41.3 | -176.9 | -68.5 | -175.1 | 147 | -110.7 | -15.2 | 113.1 | F79 D80 D81 | F79-R83 HydrophobicContact CE1-CB 4.13Å; F79-R83 HydrophobicContact CE1-CG 4.06Å; F79-R83 VanDerWaalsContact CE2-C 3.49Å; F79-R83 WeakPolarHBondContact CE2-O 3.44Å; F79-R83 HydrophobicContact CZ-CB 3.74Å; F79-R83 HydrophobicContact CZ-CG 4.13Å; D80-R83 VanDerWaalsContact O-CA 3.31Å; D80-R83 WeakPolarHBondContact O-CA 3.46Å; D80-R83 PolarHBondContact O-N 3.28Å; D80-R83 PolarHBondContact OD1-N 3.05Å; D80-R83 VanDerWaalsContact OD1-N 3.16Å; D81-R83 PolarHBondContact O-N 2.96Å |
| 84 | K | 88.8 | Confident | 90.9 | Very high | 123 Ų | 123 | 45.6 Ų | 45.6 | 54% | 0.535 | 22% | 0.215 | S | C | . | . | trans | -131.2 | 138.9 | 179.5 | -66.6 | 173.3 | -171.4 | 172.8 | 0 | 111.1 | D80 R86 | D80-K84 PolarHBondContact N-O 3.31Å; D80-K84 PolarHBondContact OD1-N 3.47Å; K84-R86 PolarHBondContact O-N 3.38Å | ||
| 85 | W | 90.8 | Very high | 90.7 | Very high | 41 Ų | 41 | 46 Ų | 46 | 16% | 0.155 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 125.5 | 166.8 | -67.6 | 107.1 | 0 | 0 | 0 | 110.1 | W77 Y78 F79 P151 M156 P157 C175 | W77-W85 HydrophobicContact CB-CE3 4.41Å; W77-W85 HydrophobicContact CE3-CB 4.26Å; Y78-W85 WeakPolarHBondContact O-CA 3.43Å; F79-W85 HydrophobicContact CB-CD2 4.13Å; F79-W85 HydrophobicContact CB-CE3 3.89Å; F79-W85 HydrophobicContact CB-CH2 4.07Å; F79-W85 HydrophobicContact CB-CZ2 4.3Å; F79-W85 HydrophobicContact CB-CZ3 3.86Å; F79-W85 AromaticContact CD2-CD1 3.97Å; F79-W85 AromaticContact CD2-CD2 3.88Å; F79-W85 HydrophobicContact CD2-CD2 3.88Å; F79-W85 AromaticContact CD2-CE2 3.75Å; F79-W85 HydrophobicContact CD2-CE3 4.5Å; F79-W85 HydrophobicContact CD2-CG 4.03Å; F79-W85 HydrophobicContact CD2-CZ2 4.28Å; F79-W85 AromaticContact CD2-NE1 3.78Å; W85-P151 HydrophobicContact CZ2-CB 4.18Å; W85-M156 HydrophobicContact CZ2-CB 4.49Å; W85-M156 HydrophobicContact CZ2-CG 3.96Å; W85-M156 HydrophobicContact CZ2-SD 4.14Å; W85-P157 HydrophobicContact CB-CG 3.56Å; W85-P157 HydrophobicContact CD2-CG 4.39Å; W85-P157 VanDerWaalsContact CG-CD 3.44Å; W85-P157 HydrophobicContact CG-CG 3.9Å; W85-C175 HydrophobicContact CE3-CB 4.07Å; W85-C175 HydrophobicContact CH2-CB 3.8Å; W85-C175 HydrophobicContact CZ3-CB 3.53Å |
| 86 | R | 92 | Very high | 90.7 | Very high | 97 Ų | 97 | 45.4 Ų | 45.4 | 37% | 0.366 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 149.7 | 173.9 | -59.5 | -167.1 | -163.6 | -123 | 7.1 | 110.8 | W77 Y78 D80 S82 K84 | W77-R86 CarbonylContact C-O 3.58Å; W77-R86 WeakPolarHBondContact CA-O 3.5Å; W77-R86 VanDerWaalsContact CE3-C 3.47Å; Y78-R86 PolarHBondContact N-O 3.5Å; Y78-R86 PolarHBondContact O-N 2.92Å; D80-R86 WeakPolarHBondContact OD2-CD 3.35Å; D80-R86 IonicContact OD2-CZ 2.66Å; D80-R86 IonicContact OD2-NE 2.73Å; D80-R86 PolarHBondContact OD2-NE 3.26Å; D80-R86 IonicContact OD2-NH2 2.99Å; D80-R86 PolarHBondContact OD2-NH2 3.12Å; S82-R86 PolarHBondContact OG-NH2 3.39Å; S82-R86 VanDerWaalsContact OG-NH2 3.07Å; K84-R86 PolarHBondContact O-N 3.38Å |
| 87 | E | 92.8 | Very high | 90.7 | Very high | 94 Ų | 94 | 45.4 Ų | 45.4 | 44% | 0.439 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 134.2 | 167.4 | -151.5 | 151.4 | -120 | 0 | 0 | 109.2 | A75 W77 | A75-E87 HydrophobicContact CB-CG 4.11Å; W77-E87 HydrophobicContact CD2-CB 4.35Å; W77-E87 VanDerWaalsContact CE2-OE1 3.29Å; W77-E87 HydrophobicContact CH2-CB 4.18Å; W77-E87 HydrophobicContact CZ2-CB 3.91Å; W77-E87 HydrophobicContact CZ2-CG 4.22Å; W77-E87 WeakPolarHBondContact CZ2-OE1 3.45Å; W77-E87 HydrophobicContact CZ3-CB 4.47Å; W77-E87 PolarHBondContact NE1-OE1 3.15Å |
| 88 | R | 93.8 | Very high | 90.8 | Very high | 29 Ų | 29 | 42.7 Ų | 42.7 | 11% | 0.109 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 148.4 | -179.7 | -70 | -67.8 | 174.2 | -121.3 | 30.2 | 108.5 | V76 Y78 H101 E102 | V76-R88 PolarHBondContact N-O 2.73Å; V76-R88 PolarHBondContact O-N 2.67Å; Y78-R88 HydrophobicContact CD1-CG 4.32Å; R88-H101 WeakPolarHBondContact CD-O 3.25Å; R88-E102 IonicContact CZ-OE1 2.65Å; R88-E102 PolarHBondContact NH1-O 2.86Å; R88-E102 VanDerWaalsContact NH1-O 3.15Å; R88-E102 IonicContact NH1-OE1 2.66Å; R88-E102 IonicContact NH2-OE1 3.65Å; R88-E102 PolarHBondContact NH2-OE1 3.06Å |
| 89 | I | 94.8 | Very high | 90.9 | Very high | 16 Ų | 16 | 43 Ų | 43 | 8% | 0.082 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 120.3 | 170 | -58.4 | -51.5 | 0 | 0 | 0 | 107.5 | D74 A75 V91 H101 L104 Y107 | D74-I89 WeakPolarHBondContact O-CA 3.45Å; A75-I89 HydrophobicContact CB-CD1 3.8Å; I89-V91 HydrophobicContact CG2-CG2 3.91Å; I89-H101 HydrophobicContact CB-CB 4.21Å; I89-H101 PolarHBondContact N-O 3.37Å; I89-H101 PolarHBondContact O-N 2.91Å; I89-L104 HydrophobicContact CD1-CB 4.16Å; I89-L104 HydrophobicContact CG1-CB 4Å; I89-L104 VanDerWaalsContact CG1-N 3.27Å; I89-Y107 HydrophobicContact CG2-CD1 4.39Å |
| 90 | V | 95.1 | Very high | 91 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 125.5 | 175.8 | -180 | 0 | 0 | 0 | 0 | 108.1 | D73 D74 V76 L98 E99 F174 F185 | D73-V90 WeakPolarHBondContact CA-O 3.23Å; D74-V90 PolarHBondContact N-O 3.36Å; D74-V90 PolarHBondContact O-N 3.34Å; V76-V90 HydrophobicContact CB-CG2 3.95Å; V76-V90 HydrophobicContact CG2-CB 4.1Å; V76-V90 HydrophobicContact CG2-CG2 4.01Å; V90-L98 HydrophobicContact CG1-CD1 3.91Å; V90-L98 HydrophobicContact CG1-CD2 3.65Å; V90-L98 HydrophobicContact CG1-CG 3.61Å; V90-E99 WeakPolarHBondContact CA-O 3.31Å; V90-F174 HydrophobicContact CG2-CE1 4.3Å; V90-F185 HydrophobicContact CG1-CE2 4.01Å |
| 91 | V | 94.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 129.8 | -176.4 | -174.2 | 0 | 0 | 0 | 0 | 108.8 | V70 Y72 D73 I89 L98 E99 Y107 | V70-V91 HydrophobicContact CG1-CG1 3.96Å; V70-V91 HydrophobicContact CG2-CG1 4Å; Y72-V91 CarbonylContact O-C 3.56Å; Y72-V91 WeakPolarHBondContact O-CA 3.41Å; D73-V91 HydrophobicContact CB-CG2 4.16Å; I89-V91 HydrophobicContact CG2-CG2 3.91Å; V91-L98 CarbonylContact O-C 3.44Å; V91-L98 WeakPolarHBondContact O-CA 3.29Å; V91-E99 HydrophobicContact CB-CB 4.47Å; V91-E99 PolarHBondContact N-O 3.49Å; V91-E99 PolarHBondContact O-N 3.22Å; V91-Y107 HydrophobicContact CG1-CE2 4.36Å; V91-Y107 HydrophobicContact CG2-CD1 4.39Å; V91-Y107 HydrophobicContact CG2-CD2 4.18Å; V91-Y107 HydrophobicContact CG2-CE1 4.06Å; V91-Y107 HydrophobicContact CG2-CE2 3.84Å; V91-Y107 HydrophobicContact CG2-CG 4.45Å |
| 92 | V | 94.3 | Very high | 91.8 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.006 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 126.8 | 170.4 | 178 | 0 | 0 | 0 | 0 | 109 | L71 Y72 C97 F188 C192 | L71-V92 HydrophobicContact CB-CB 4.49Å; L71-V92 HydrophobicContact CB-CG1 4.21Å; L71-V92 HydrophobicContact CD1-CG1 4.22Å; L71-V92 PolarHBondContact N-O 3.18Å; Y72-V92 HydrophobicContact CD1-CG2 4.2Å; Y72-V92 PolarHBondContact O-N 3.43Å; V92-C97 WeakPolarHBondContact CA-O 3.48Å; V92-F188 HydrophobicContact CG2-CB 4.43Å; V92-C192 WeakPolarHBondContact CG1-SG 3.43Å |
| 93 | R | 92.1 | Very high | 92.1 | Very high | 49 Ų | 49 | 40.1 Ų | 40.1 | 19% | 0.185 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 163.4 | 176.6 | -71.2 | -165 | -166.1 | -76.7 | -7.8 | 112.9 | A68 I69 N95 Y96 C97 E99 | A68-R93 PolarHBondContact O-NH1 3.28Å; A68-R93 VanDerWaalsContact O-NH1 3.12Å; I69-R93 CarbonylContact O-C 3.37Å; I69-R93 WeakPolarHBondContact O-CA 3.37Å; R93-N95 VanDerWaalsContact CB-OD1 3.3Å; R93-N95 WeakPolarHBondContact CB-OD1 3.42Å; R93-N95 PolarHBondContact O-N 2.9Å; R93-Y96 WeakPolarHBondContact O-CA 3.44Å; R93-Y96 PolarHBondContact O-N 2.93Å; R93-C97 PolarHBondContact N-O 2.98Å; R93-E99 IonicContact CZ-OE1 3.79Å; R93-E99 IonicContact CZ-OE2 2.7Å; R93-E99 VanDerWaalsContact NE-CD 3.28Å; R93-E99 IonicContact NE-OE1 3.5Å; R93-E99 PolarHBondContact NE-OE1 3.37Å; R93-E99 IonicContact NE-OE2 3.23Å; R93-E99 PolarHBondContact NE-OE2 2.91Å; R93-E99 IonicContact NH2-OE1 3.57Å; R93-E99 IonicContact NH2-OE2 2.6Å; R93-E99 PolarHBondContact NH2-OE2 3.36Å |
| 94 | A | 88.4 | Confident | 92.3 | Very high | 16 Ų | 16 | 38.1 Ų | 38.1 | 13% | 0.132 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -21.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | P65 I69 L71 Y96 | P65-A94 HydrophobicContact CB-CB 4.02Å; I69-A94 HydrophobicContact CB-CB 4.1Å; I69-A94 PolarHBondContact O-N 3.36Å; L71-A94 HydrophobicContact CD2-CB 4.33Å; A94-Y96 WeakPolarHBondContact O-CD2 3.22Å; A94-Y96 PolarHBondContact O-N 3.35Å |
| 95 | N | 88.9 | Confident | 92.4 | Very high | 39 Ų | 39 | 38.6 Ų | 38.6 | 21% | 0.209 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 20.8 | 167.8 | 60.8 | 14.4 | 0 | 0 | 0 | 113.5 | E67 R93 C97 Q196 | E67-N95 HydrophobicContact CB-CB 4.32Å; E67-N95 HydrophobicContact CG-CB 4.06Å; E67-N95 PolarHBondContact OE2-ND2 2.88Å; R93-N95 VanDerWaalsContact CB-OD1 3.3Å; R93-N95 WeakPolarHBondContact CB-OD1 3.42Å; R93-N95 PolarHBondContact O-N 2.9Å; N95-C97 PolarHBondContact O-N 3.43Å; N95-C97 VanDerWaalsContact O-N 3.15Å; N95-C97 VanDerWaalsContact OD1-CB 3.32Å; N95-C97 WeakPolarHBondContact OD1-CB 3.44Å; N95-Q196 PolarHBondContact O-NE2 3.47Å |
| 96 | Y | 92.6 | Very high | 92.3 | Very high | 26 Ų | 26 | 37.9 Ų | 37.9 | 10% | 0.102 | 18% | 0.183 | C | C | . | . | S | Bend | trans | 52.4 | 36.9 | 176.7 | -69.8 | -73.6 | 0 | 0 | 0 | 114.2 | L71 R93 A94 D191 H195 Q196 Q437 | L71-Y96 HydrophobicContact CD1-CD1 4.13Å; L71-Y96 HydrophobicContact CD1-CE1 3.7Å; R93-Y96 WeakPolarHBondContact O-CA 3.44Å; R93-Y96 PolarHBondContact O-N 2.93Å; A94-Y96 WeakPolarHBondContact O-CD2 3.22Å; A94-Y96 PolarHBondContact O-N 3.35Å; Y96-D191 HydrophobicContact CD1-CB 4.47Å; Y96-D191 HydrophobicContact CE1-CB 4.13Å; Y96-H195 HydrophobicContact CD1-CB 4.03Å; Y96-H195 AromaticContact CD1-CD2 3.73Å; Y96-H195 AromaticContact CD1-CG 3.98Å; Y96-H195 HydrophobicContact CD2-CB 3.5Å; Y96-H195 AromaticContact CD2-CD2 3.79Å; Y96-H195 AromaticContact CD2-CG 3.37Å; Y96-H195 AromaticContact CD2-ND1 3.75Å; Y96-H195 AromaticContact CE1-CD2 3.45Å; Y96-H195 VanDerWaalsContact CE1-CD2 3.45Å; Y96-H195 WeakPolarHBondContact CE1-CD2 3.38Å; Y96-H195 AromaticContact CE1-NE2 3.98Å; Y96-H195 HydrophobicContact CE2-CB 4.12Å; Y96-H195 AromaticContact CE2-CD2 3.5Å; Y96-H195 VanDerWaalsContact CE2-CD2 3.5Å; Y96-H195 WeakPolarHBondContact CE2-CD2 3.4Å; Y96-H195 AromaticContact CE2-CE1 3.65Å; Y96-H195 AromaticContact CE2-CG 3.45Å; Y96-H195 VanDerWaalsContact CE2-CG 3.45Å; Y96-H195 AromaticContact CE2-ND1 3.55Å; Y96-H195 AromaticContact CE2-NE2 3.66Å; Y96-H195 HydrophobicContact CG-CB 3.44Å; Y96-H195 VanDerWaalsContact CG-CB 3.44Å; Y96-H195 AromaticContact CG-CD2 3.89Å; Y96-H195 AromaticContact CG-CG 3.65Å; Y96-H195 AromaticContact CZ-CD2 3.31Å; Y96-H195 AromaticContact CZ-CE1 3.9Å; Y96-H195 AromaticContact CZ-CG 3.79Å; Y96-H195 AromaticContact CZ-NE2 3.42Å; Y96-H195 PolarHBondContact OH-NE2 3.49Å; Y96-Q196 WeakPolarHBondContact O-CG 3.49Å; Y96-Q196 PolarHBondContact O-NE2 3.34Å; Y96-Q437 PolarHBondContact OH-NE2 3.42Å |
| 97 | C | 93.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.007 | 17% | 0.174 | C | C | . | . | trans | -111.5 | 140.3 | 178.5 | -170 | 0 | 0 | 0 | 0 | 110.6 | V92 R93 N95 K116 L117 L118 | V92-C97 WeakPolarHBondContact CA-O 3.48Å; R93-C97 PolarHBondContact N-O 2.98Å; N95-C97 PolarHBondContact O-N 3.43Å; N95-C97 VanDerWaalsContact O-N 3.15Å; N95-C97 VanDerWaalsContact OD1-CB 3.32Å; N95-C97 WeakPolarHBondContact OD1-CB 3.44Å; C97-K116 WeakPolarHBondContact SG-CE 3.29Å; C97-K116 WeakPolarHBondContact SG-CG 3.29Å; C97-L117 PolarHBondContact SG-O 3.07Å; C97-L118 HydrophobicContact CB-CD2 3.8Å; C97-L118 VanDerWaalsContact SG-CD2 3.5Å | ||
| 98 | L | 94.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 115.4 | -177.6 | -175 | 157.2 | 0 | 0 | 0 | 109.6 | V90 V91 L117 F185 L189 | V90-L98 HydrophobicContact CG1-CD1 3.91Å; V90-L98 HydrophobicContact CG1-CD2 3.65Å; V90-L98 HydrophobicContact CG1-CG 3.61Å; V91-L98 CarbonylContact O-C 3.44Å; V91-L98 WeakPolarHBondContact O-CA 3.29Å; L98-L117 HydrophobicContact CB-CB 4.49Å; L98-L117 PolarHBondContact N-O 2.86Å; L98-L117 PolarHBondContact O-N 3.29Å; L98-F185 HydrophobicContact CD1-CE2 4.33Å; L98-F185 HydrophobicContact CD1-CZ 4.35Å; L98-L189 HydrophobicContact CD1-CD1 4.03Å |
| 99 | E | 94.3 | Very high | 91.8 | Very high | 16 Ų | 16 | 41.6 Ų | 41.6 | 8% | 0.075 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 139.1 | 175.5 | -71 | 178.1 | -169.3 | 0 | 0 | 110.8 | V90 V91 R93 H101 A113 K116 | V90-E99 WeakPolarHBondContact CA-O 3.31Å; V91-E99 HydrophobicContact CB-CB 4.47Å; V91-E99 PolarHBondContact N-O 3.49Å; V91-E99 PolarHBondContact O-N 3.22Å; R93-E99 IonicContact CZ-OE1 3.79Å; R93-E99 IonicContact CZ-OE2 2.7Å; R93-E99 VanDerWaalsContact NE-CD 3.28Å; R93-E99 IonicContact NE-OE1 3.5Å; R93-E99 PolarHBondContact NE-OE1 3.37Å; R93-E99 IonicContact NE-OE2 3.23Å; R93-E99 PolarHBondContact NE-OE2 2.91Å; R93-E99 IonicContact NH2-OE1 3.57Å; R93-E99 IonicContact NH2-OE2 2.6Å; R93-E99 PolarHBondContact NH2-OE2 3.36Å; E99-H101 IonicContact OE2-CE1 2.67Å; E99-H101 IonicContact OE2-NE2 3.15Å; E99-H101 PolarHBondContact OE2-NE2 2.7Å; E99-A113 HydrophobicContact CB-CB 3.99Å; E99-A113 HydrophobicContact CG-CB 4.2Å; E99-K116 HydrophobicContact CG-CB 4.3Å; E99-K116 HydrophobicContact CG-CD 4.39Å; E99-K116 HydrophobicContact CG-CG 4.03Å |
| 100 | C | 92.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 121.3 | 173.4 | -175.5 | 0 | 0 | 0 | 0 | 110.2 | A113 L114 Y115 | C100-A113 CarbonylContact O-C 3.43Å; C100-L114 WeakPolarHBondContact O-CB 3.19Å; C100-L114 PolarHBondContact O-N 3.43Å; C100-Y115 HydrophobicContact CB-CD1 4.07Å; C100-Y115 HydrophobicContact CB-CD2 3.95Å; C100-Y115 HydrophobicContact CB-CE1 3.56Å; C100-Y115 HydrophobicContact CB-CE2 3.42Å; C100-Y115 VanDerWaalsContact CB-CE2 3.42Å; C100-Y115 HydrophobicContact CB-CG 4.24Å; C100-Y115 WeakPolarHBondContact CB-OH 3.44Å; C100-Y115 PolarHBondContact N-O 3.05Å; C100-Y115 VanDerWaalsContact SG-CZ 3.54Å; C100-Y115 PolarHBondContact SG-OH 3.37Å |
| 101 | H | 93.6 | Very high | 91.1 | Very high | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.019 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 144 | -178.6 | -72.4 | -92 | 0 | 0 | 0 | 110.2 | R88 I89 E99 S103 Y107 | R88-H101 WeakPolarHBondContact CD-O 3.25Å; I89-H101 HydrophobicContact CB-CB 4.21Å; I89-H101 PolarHBondContact N-O 3.37Å; I89-H101 PolarHBondContact O-N 2.91Å; E99-H101 IonicContact OE2-CE1 2.67Å; E99-H101 IonicContact OE2-NE2 3.15Å; E99-H101 PolarHBondContact OE2-NE2 2.7Å; H101-S103 VanDerWaalsContact C-N 3.34Å; H101-S103 PolarHBondContact O-N 2.86Å; H101-Y107 AromaticContact CD2-CD2 3.86Å; H101-Y107 AromaticContact CE1-CD2 3.71Å; H101-Y107 AromaticContact CG-CD2 3.9Å; H101-Y107 AromaticContact ND1-CD2 3.82Å; H101-Y107 AromaticContact NE2-CD2 3.73Å |
| 102 | E | 91.8 | Very high | 90.7 | Very high | 107 Ų | 107 | 52.3 Ų | 52.3 | 50% | 0.5 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -61.6 | -41.4 | -176.6 | 172.8 | 146.8 | -115.1 | 0 | 0 | 112.7 | R88 L114 | R88-E102 IonicContact CZ-OE1 2.65Å; R88-E102 PolarHBondContact NH1-O 2.86Å; R88-E102 VanDerWaalsContact NH1-O 3.15Å; R88-E102 IonicContact NH1-OE1 2.66Å; R88-E102 IonicContact NH2-OE1 3.65Å; R88-E102 PolarHBondContact NH2-OE1 3.06Å; E102-L114 HydrophobicContact CB-CD1 4.04Å; E102-L114 HydrophobicContact CB-CD2 4.29Å; E102-L114 HydrophobicContact CB-CG 4.31Å |
| 103 | S | 90.6 | Very high | 90.5 | Very high | 46 Ų | 46 | 53.7 Ų | 53.7 | 32% | 0.322 | 30% | 0.301 | S | S | . | . | trans | -153.9 | 164 | -177.4 | 69.1 | 0 | 0 | 0 | 0 | 111.6 | H101 Q105 S106 Y107 | H101-S103 VanDerWaalsContact C-N 3.34Å; H101-S103 PolarHBondContact O-N 2.86Å; S103-Q105 PolarHBondContact O-N 2.92Å; S103-Q105 PolarHBondContact OG-N 2.85Å; S103-S106 PolarHBondContact N-OG 3.01Å; S103-S106 PolarHBondContact O-N 3.45Å; S103-S106 PolarHBondContact O-OG 2.89Å; S103-S106 PolarHBondContact OG-N 3.22Å; S103-S106 PolarHBondContact OG-OG 3.45Å; S103-S106 VanDerWaalsContact OG-OG 3.06Å; S103-Y107 PolarHBondContact O-N 3.36Å; S103-Y107 VanDerWaalsContact O-N 3.08Å | ||
| 104 | L | 89.5 | Confident | 90.3 | Very high | 96 Ų | 96 | 55.5 Ų | 55.5 | 50% | 0.503 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.6 | -35.1 | 172 | -174.9 | 62.8 | 0 | 0 | 0 | 111.4 | I89 Y107 V108 | I89-L104 HydrophobicContact CD1-CB 4.16Å; I89-L104 HydrophobicContact CG1-CB 4Å; I89-L104 VanDerWaalsContact CG1-N 3.27Å; L104-Y107 HydrophobicContact CD1-CD1 4.37Å; L104-Y107 PolarHBondContact O-N 3.01Å; L104-V108 HydrophobicContact CD1-CG2 3.93Å; L104-V108 HydrophobicContact CG-CG2 4.22Å; L104-V108 WeakPolarHBondContact O-CB 3.22Å; L104-V108 VanDerWaalsContact O-CG2 3.3Å; L104-V108 WeakPolarHBondContact O-CG2 3.28Å; L104-V108 PolarHBondContact O-N 3.39Å |
| 105 | Q | 89.4 | Confident | 90.2 | Very high | 132 Ų | 132 | 55.5 Ų | 55.5 | 62% | 0.617 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -70.3 | -34.3 | 179.9 | -154.7 | -160.5 | 57.8 | 0 | 0 | 112.7 | S103 K109 | S103-Q105 PolarHBondContact O-N 2.92Å; S103-Q105 PolarHBondContact OG-N 2.85Å; Q105-K109 VanDerWaalsContact CD-NZ 3.27Å; Q105-K109 HydrophobicContact CG-CD 4.42Å; Q105-K109 WeakPolarHBondContact O-CB 3.4Å; Q105-K109 VanDerWaalsContact O-CD 3.28Å; Q105-K109 WeakPolarHBondContact O-CD 3.36Å; Q105-K109 WeakPolarHBondContact O-CG 3.43Å; Q105-K109 PolarHBondContact O-N 3.25Å |
| 106 | S | 88.6 | Confident | 90.3 | Very high | 26 Ų | 26 | 56.1 Ų | 56.1 | 18% | 0.182 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -71.5 | -43.5 | 174.1 | 56.2 | 0 | 0 | 0 | 0 | 110.9 | S103 K109 G110 A111 | S103-S106 PolarHBondContact N-OG 3.01Å; S103-S106 PolarHBondContact O-N 3.45Å; S103-S106 PolarHBondContact O-OG 2.89Å; S103-S106 PolarHBondContact OG-N 3.22Å; S103-S106 PolarHBondContact OG-OG 3.45Å; S103-S106 VanDerWaalsContact OG-OG 3.06Å; S106-K109 PolarHBondContact O-N 2.84Å; S106-G110 PolarHBondContact O-N 3.17Å; S106-A111 WeakPolarHBondContact O-CB 3.45Å; S106-A111 PolarHBondContact O-N 2.88Å |
| 107 | Y | 88.2 | Confident | 90.3 | Very high | 43 Ų | 43 | 54.9 Ų | 54.9 | 17% | 0.169 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.4 | -51.3 | 178 | 175.5 | -123.2 | 0 | 0 | 0 | 112.6 | V70 I89 V91 H101 S103 L104 K109 G110 | V70-Y107 VanDerWaalsContact CG2-OH 3.25Å; V70-Y107 WeakPolarHBondContact CG2-OH 3.38Å; I89-Y107 HydrophobicContact CG2-CD1 4.39Å; V91-Y107 HydrophobicContact CG1-CE2 4.36Å; V91-Y107 HydrophobicContact CG2-CD1 4.39Å; V91-Y107 HydrophobicContact CG2-CD2 4.18Å; V91-Y107 HydrophobicContact CG2-CE1 4.06Å; V91-Y107 HydrophobicContact CG2-CE2 3.84Å; V91-Y107 HydrophobicContact CG2-CG 4.45Å; H101-Y107 AromaticContact CD2-CD2 3.86Å; H101-Y107 AromaticContact CE1-CD2 3.71Å; H101-Y107 AromaticContact CG-CD2 3.9Å; H101-Y107 AromaticContact ND1-CD2 3.82Å; H101-Y107 AromaticContact NE2-CD2 3.73Å; S103-Y107 PolarHBondContact O-N 3.36Å; S103-Y107 VanDerWaalsContact O-N 3.08Å; L104-Y107 HydrophobicContact CD1-CD1 4.37Å; L104-Y107 PolarHBondContact O-N 3.01Å; Y107-K109 PolarHBondContact O-N 2.66Å; Y107-G110 PolarHBondContact O-N 3.25Å |
| 108 | V | 89.6 | Confident | 90.4 | Very high | 109 Ų | 109 | 56.3 Ų | 56.3 | 66% | 0.661 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -66 | -22.1 | 179.9 | 173.6 | 0 | 0 | 0 | 0 | 112.7 | L104 G110 | L104-V108 HydrophobicContact CD1-CG2 3.93Å; L104-V108 HydrophobicContact CG-CG2 4.22Å; L104-V108 WeakPolarHBondContact O-CB 3.22Å; L104-V108 VanDerWaalsContact O-CG2 3.3Å; L104-V108 WeakPolarHBondContact O-CG2 3.28Å; L104-V108 PolarHBondContact O-N 3.39Å; V108-G110 VanDerWaalsContact C-N 3.27Å |
| 109 | K | 90.5 | Very high | 90.4 | Very high | 147 Ų | 147 | 56.3 Ų | 56.3 | 64% | 0.639 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -0.1 | 171.4 | -75.2 | 173 | 179.9 | 171.5 | 0 | 113.9 | Q105 S106 Y107 A111 | Q105-K109 VanDerWaalsContact CD-NZ 3.27Å; Q105-K109 HydrophobicContact CG-CD 4.42Å; Q105-K109 WeakPolarHBondContact O-CB 3.4Å; Q105-K109 VanDerWaalsContact O-CD 3.28Å; Q105-K109 WeakPolarHBondContact O-CD 3.36Å; Q105-K109 WeakPolarHBondContact O-CG 3.43Å; Q105-K109 PolarHBondContact O-N 3.25Å; S106-K109 PolarHBondContact O-N 2.84Å; Y107-K109 PolarHBondContact O-N 2.66Å; K109-A111 VanDerWaalsContact C-N 3.35Å |
| 110 | G | 86.1 | Confident | 90.4 | Very high | 65 Ų | 65 | 55.6 Ų | 55.6 | 67% | 0.67 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.7 | 23.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | S106 Y107 V108 | S106-G110 PolarHBondContact O-N 3.17Å; Y107-G110 PolarHBondContact O-N 3.25Å; V108-G110 VanDerWaalsContact C-N 3.27Å |
| 111 | A | 88.8 | Confident | 90.4 | Very high | 46 Ų | 46 | 56.4 Ų | 56.4 | 38% | 0.38 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 151 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | S106 K109 | S106-A111 WeakPolarHBondContact O-CB 3.45Å; S106-A111 PolarHBondContact O-N 2.88Å; K109-A111 VanDerWaalsContact C-N 3.35Å |
| 112 | N | 87.4 | Confident | 90.4 | Very high | 130 Ų | 130 | 56.6 Ų | 56.6 | 70% | 0.695 | 32% | 0.322 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 144.2 | 176.3 | -68.8 | -22.6 | 0 | 0 | 0 | 111.8 | ||
| 113 | A | 90.2 | Very high | 90.6 | Very high | 30 Ų | 30 | 54.3 Ų | 54.3 | 25% | 0.248 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 146.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | E99 C100 Y115 | E99-A113 HydrophobicContact CB-CB 3.99Å; E99-A113 HydrophobicContact CG-CB 4.2Å; C100-A113 CarbonylContact O-C 3.43Å; A113-Y115 PolarHBondContact O-N 3.15Å |
| 114 | L | 88.4 | Confident | 90.8 | Very high | 86 Ų | 86 | 53.9 Ų | 53.9 | 45% | 0.45 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -62.4 | -35.9 | 172.7 | -64.1 | 175.6 | 0 | 0 | 0 | 111.6 | C100 E102 | C100-L114 WeakPolarHBondContact O-CB 3.19Å; C100-L114 PolarHBondContact O-N 3.43Å; E102-L114 HydrophobicContact CB-CD1 4.04Å; E102-L114 HydrophobicContact CB-CD2 4.29Å; E102-L114 HydrophobicContact CB-CG 4.31Å |
| 115 | Y | 85.3 | Confident | 91.1 | Very high | 17 Ų | 17 | 50.4 Ų | 50.4 | 7% | 0.067 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 155.4 | 169.7 | 54.3 | -91.6 | 0 | 0 | 0 | 109.7 | Y78 C100 A113 Y172 | Y78-Y115 HydrophobicContact CE1-CE1 4.02Å; Y78-Y115 VanDerWaalsContact CE1-OH 3.23Å; Y78-Y115 WeakPolarHBondContact CE1-OH 3.38Å; Y78-Y115 WeakPolarHBondContact CE2-OH 3.35Å; Y78-Y115 AromaticContact CZ-CZ 3.88Å; C100-Y115 HydrophobicContact CB-CD1 4.07Å; C100-Y115 HydrophobicContact CB-CD2 3.95Å; C100-Y115 HydrophobicContact CB-CE1 3.56Å; C100-Y115 HydrophobicContact CB-CE2 3.42Å; C100-Y115 VanDerWaalsContact CB-CE2 3.42Å; C100-Y115 HydrophobicContact CB-CG 4.24Å; C100-Y115 WeakPolarHBondContact CB-OH 3.44Å; C100-Y115 PolarHBondContact N-O 3.05Å; C100-Y115 VanDerWaalsContact SG-CZ 3.54Å; C100-Y115 PolarHBondContact SG-OH 3.37Å; A113-Y115 PolarHBondContact O-N 3.15Å; Y115-Y172 HydrophobicContact CD2-CE1 4.05Å; Y115-Y172 HydrophobicContact CE2-CD1 4.01Å; Y115-Y172 AromaticContact CE2-CE1 3.61Å; Y115-Y172 HydrophobicContact CE2-CE1 3.61Å |
| 116 | K | 92.2 | Very high | 91.3 | Very high | 52 Ų | 52 | 46.4 Ų | 46.4 | 23% | 0.226 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 121.7 | 178.7 | 178.7 | 172.7 | -179.8 | 173.5 | 0 | 108.6 | C97 E99 | C97-K116 WeakPolarHBondContact SG-CE 3.29Å; C97-K116 WeakPolarHBondContact SG-CG 3.29Å; E99-K116 HydrophobicContact CG-CB 4.3Å; E99-K116 HydrophobicContact CG-CD 4.39Å; E99-K116 HydrophobicContact CG-CG 4.03Å |
| 117 | L | 92.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 127.9 | -168.5 | 178.9 | 61.1 | 0 | 0 | 0 | 112.2 | C97 L98 P119 L164 L166 Y172 | C97-L117 PolarHBondContact SG-O 3.07Å; L98-L117 HydrophobicContact CB-CB 4.49Å; L98-L117 PolarHBondContact N-O 2.86Å; L98-L117 PolarHBondContact O-N 3.29Å; L117-P119 WeakPolarHBondContact O-CD 3.3Å; L117-L164 HydrophobicContact CD2-CD2 3.92Å; L117-L166 HydrophobicContact CD1-CD1 3.85Å; L117-Y172 HydrophobicContact CD1-CE2 3.9Å; L117-Y172 HydrophobicContact CD2-CD1 4.14Å; L117-Y172 HydrophobicContact CD2-CD2 3.86Å; L117-Y172 HydrophobicContact CD2-CE1 4.1Å; L117-Y172 HydrophobicContact CD2-CE2 3.84Å; L117-Y172 HydrophobicContact CD2-CG 4.04Å |
| 118 | L | 93.9 | Very high | 91.5 | Very high | 30 Ų | 30 | 47.9 Ų | 47.9 | 16% | 0.157 | 28% | 0.284 | C | S | . | . | trans | -101.5 | 102.1 | 165.3 | -57.8 | 173.1 | 0 | 0 | 0 | 108.5 | C97 T120 R169 | C97-L118 HydrophobicContact CB-CD2 3.8Å; C97-L118 VanDerWaalsContact SG-CD2 3.5Å; L118-T120 PolarHBondContact O-N 3.34Å; L118-R169 PolarHBondContact O-NH1 2.89Å; L118-R169 PolarHBondContact O-NH2 2.92Å; L118-R169 VanDerWaalsContact O-NH2 3.12Å | ||
| 119 | P | 94.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | trans | -76.9 | 36 | -174.7 | 32.7 | -38.9 | 0 | 0 | 0 | 114.4 | L117 G121 G122 L164 L166 L189 C192 I193 | L117-P119 WeakPolarHBondContact O-CD 3.3Å; P119-G121 PolarHBondContact O-N 2.96Å; P119-G122 PolarHBondContact O-N 3.47Å; P119-L164 HydrophobicContact CB-CD2 4.24Å; P119-L166 HydrophobicContact CB-CD2 4.28Å; P119-L189 HydrophobicContact CB-CD1 4.35Å; P119-L189 HydrophobicContact CG-CD1 4.35Å; P119-C192 HydrophobicContact CG-CB 3.58Å; P119-I193 HydrophobicContact CB-CG1 3.93Å; P119-I193 HydrophobicContact CG-CG1 4.18Å | ||
| 120 | T | 94.7 | Very high | 91.6 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.6 | 128.4 | 172.7 | -50 | 0 | 0 | 0 | 0 | 111.6 | L118 G122 P167 R169 Q196 N197 I232 R237 | L118-T120 PolarHBondContact O-N 3.34Å; T120-G122 PolarHBondContact O-N 3.5Å; T120-P167 WeakPolarHBondContact O-CD 3.45Å; T120-R169 PolarHBondContact O-NH2 2.87Å; T120-Q196 PolarHBondContact OG1-O 2.99Å; T120-N197 WeakPolarHBondContact CA-OD1 3.33Å; T120-I232 HydrophobicContact CG2-CB 3.79Å; T120-I232 HydrophobicContact CG2-CD1 4.06Å; T120-I232 HydrophobicContact CG2-CG1 3.77Å; T120-R237 PolarHBondContact OG1-NH1 2.86Å |
| 121 | G | 92.6 | Very high | 91.9 | Very high | 17 Ų | 17 | 43.7 Ų | 43.7 | 18% | 0.175 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | 8.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | P119 P167 N197 | P119-G121 PolarHBondContact O-N 2.96Å; G121-P167 WeakPolarHBondContact O-CD 3.44Å; G121-N197 PolarHBondContact N-OD1 3.34Å |
| 122 | G | 94.6 | Very high | 92 | Very high | 9 Ų | 9 | 42.4 Ų | 42.4 | 9% | 0.093 | 23% | 0.227 | C | C | . | . | trans | -62.3 | 143.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | P119 T120 R165 I193 | P119-G122 PolarHBondContact O-N 3.47Å; T120-G122 PolarHBondContact O-N 3.5Å; G122-R165 CarbonylContact C-O 3.55Å; G122-R165 VanDerWaalsContact CA-O 3.25Å; G122-R165 WeakPolarHBondContact CA-O 3.39Å; G122-I193 WeakPolarHBondContact O-CG2 3.43Å | ||
| 123 | T | 94.4 | Very high | 92.1 | Very high | 58 Ų | 58 | 42.3 Ų | 42.3 | 36% | 0.356 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 127.1 | 166.2 | -50 | 0 | 0 | 0 | 0 | 109.8 | L125 M134 R165 | T123-L125 HydrophobicContact CG2-CD2 4.09Å; T123-L125 HydrophobicContact CG2-CG 4.25Å; T123-M134 HydrophobicContact CG2-CE 3.75Å; T123-M134 HydrophobicContact CG2-SD 4.23Å; T123-R165 PolarHBondContact N-O 3.21Å; T123-R165 PolarHBondContact O-N 3.5Å |
| 124 | I | 95.3 | Very high | 92.1 | Very high | 38 Ų | 38 | 43.6 Ų | 43.6 | 20% | 0.195 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 125.9 | 176.8 | -50.6 | 178.3 | 0 | 0 | 0 | 109 | V162 I186 L189 I193 | I124-V162 HydrophobicContact CG2-CG1 3.66Å; I124-I186 HydrophobicContact CD1-CG2 4.24Å; I124-I186 HydrophobicContact CG2-CD1 4.45Å; I124-I186 HydrophobicContact CG2-CG1 4.11Å; I124-I186 HydrophobicContact CG2-CG2 4.37Å; I124-L189 HydrophobicContact CD1-CB 3.93Å; I124-L189 HydrophobicContact CD1-CD2 4.01Å; I124-L189 HydrophobicContact CD1-CG 3.75Å; I124-L189 HydrophobicContact CG1-CD2 4.03Å; I124-L189 HydrophobicContact CG1-CG 4.09Å; I124-I193 HydrophobicContact CD1-CD1 3.87Å; I124-I193 HydrophobicContact CG1-CD1 3.51Å |
| 125 | L | 94.9 | Very high | 92.1 | Very high | 22 Ų | 22 | 39.5 Ų | 39.5 | 12% | 0.115 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 145.7 | 177.3 | -57.8 | 170.5 | 0 | 0 | 0 | 109.7 | T123 K130 Y131 M134 Y163 | T123-L125 HydrophobicContact CG2-CD2 4.09Å; T123-L125 HydrophobicContact CG2-CG 4.25Å; L125-K130 HydrophobicContact CD2-CB 4.29Å; L125-Y131 HydrophobicContact CD1-CD2 4.41Å; L125-M134 HydrophobicContact CD1-CB 4.12Å; L125-M134 HydrophobicContact CD1-CE 4.1Å; L125-M134 HydrophobicContact CD1-SD 3.82Å; L125-M134 HydrophobicContact CD2-CE 4.49Å; L125-Y163 PolarHBondContact N-O 3.33Å; L125-Y163 PolarHBondContact O-N 3.19Å |
| 126 | T | 93.6 | Very high | 92.2 | Very high | 48 Ų | 48 | 41.9 Ų | 41.9 | 29% | 0.294 | 22% | 0.216 | S | C | . | . | trans | -121.7 | 1.3 | -169.2 | 51.4 | 0 | 0 | 0 | 0 | 114.5 | I186 | T126-I186 HydrophobicContact CG2-CD1 3.48Å; T126-I186 VanDerWaalsContact CG2-CD1 3.48Å | ||
| 127 | T | 91.3 | Very high | 92 | Very high | 46 Ų | 46 | 48.5 Ų | 48.5 | 28% | 0.282 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -135.6 | 154 | 173.9 | 89.3 | 0 | 0 | 0 | 0 | 109.3 | E129 Y131 | T127-E129 WeakPolarHBondContact CB-OE2 3.41Å; T127-E129 PolarHBondContact OG1-OE2 3.09Å; T127-Y131 PolarHBondContact O-N 3.48Å |
| 128 | E | 90 | Very high | 91.7 | Very high | 54 Ų | 54 | 51.4 Ų | 51.4 | 25% | 0.252 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -69.7 | -34.2 | -176.4 | -170.9 | -178.6 | 149.9 | 0 | 0 | 111.8 | Y131 M132 A150 L153 | E128-Y131 WeakPolarHBondContact O-CB 3.27Å; E128-Y131 PolarHBondContact O-N 3.12Å; E128-M132 HydrophobicContact CG-CG 4.14Å; E128-M132 WeakPolarHBondContact O-CB 3.25Å; E128-M132 WeakPolarHBondContact O-CG 3.48Å; E128-M132 PolarHBondContact O-N 2.72Å; E128-A150 HydrophobicContact CG-CB 3.8Å; E128-L153 VanDerWaalsContact OE2-CD1 3.29Å; E128-L153 WeakPolarHBondContact OE2-CD1 3.23Å; E128-L153 WeakPolarHBondContact OE2-CD2 3.35Å; E128-L153 VanDerWaalsContact OE2-CG 3.28Å; E128-L153 WeakPolarHBondContact OE2-CG 3.47Å |
| 129 | E | 90.7 | Very high | 91.4 | Very high | 117 Ų | 117 | 50.7 Ų | 50.7 | 55% | 0.547 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.9 | -52.1 | -177.1 | -53 | 75.8 | -167.6 | 0 | 0 | 110.8 | T127 Y131 M132 E133 | T127-E129 WeakPolarHBondContact CB-OE2 3.41Å; T127-E129 PolarHBondContact OG1-OE2 3.09Å; E129-Y131 VanDerWaalsContact C-N 3.27Å; E129-Y131 PolarHBondContact O-N 2.99Å; E129-M132 PolarHBondContact O-N 2.67Å; E129-E133 WeakPolarHBondContact O-CB 3.43Å; E129-E133 VanDerWaalsContact O-CG 3.27Å; E129-E133 WeakPolarHBondContact O-CG 3.34Å; E129-E133 PolarHBondContact O-N 3.08Å |
| 130 | K | 91.9 | Very high | 90.7 | Very high | 117 Ų | 117 | 54.1 Ų | 54.1 | 51% | 0.509 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.2 | -34.4 | 177.9 | -65.2 | -177.1 | 177 | -174.9 | 0 | 112.3 | L125 M134 | L125-K130 HydrophobicContact CD2-CB 4.29Å; K130-M134 PolarHBondContact O-N 3.08Å |
| 131 | Y | 92.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65 | -51.4 | 173.2 | 172.7 | -106 | 0 | 0 | 0 | 110.8 | L125 T127 E128 E129 E133 M134 V135 F149 A150 Y163 D171 Y173 | L125-Y131 HydrophobicContact CD1-CD2 4.41Å; T127-Y131 PolarHBondContact O-N 3.48Å; E128-Y131 WeakPolarHBondContact O-CB 3.27Å; E128-Y131 PolarHBondContact O-N 3.12Å; E129-Y131 VanDerWaalsContact C-N 3.27Å; E129-Y131 PolarHBondContact O-N 2.99Å; Y131-E133 PolarHBondContact O-N 2.8Å; Y131-M134 WeakPolarHBondContact O-CB 3.26Å; Y131-M134 PolarHBondContact O-N 2.98Å; Y131-M134 VanDerWaalsContact O-N 3.12Å; Y131-V135 HydrophobicContact CD1-CG2 4.3Å; Y131-V135 HydrophobicContact CD2-CG2 4.05Å; Y131-V135 HydrophobicContact CE1-CG2 3.8Å; Y131-V135 HydrophobicContact CE2-CG2 3.52Å; Y131-V135 HydrophobicContact CG-CG2 4.4Å; Y131-V135 WeakPolarHBondContact O-CG2 3.32Å; Y131-V135 PolarHBondContact O-N 3.17Å; Y131-F149 HydrophobicContact CE1-CD1 4.27Å; Y131-F149 WeakPolarHBondContact OH-CE1 3.3Å; Y131-A150 HydrophobicContact CD1-CB 4.14Å; Y131-A150 HydrophobicContact CE1-CB 4.07Å; Y131-Y163 AromaticContact CD1-CD1 3.59Å; Y131-Y163 HydrophobicContact CD1-CD1 3.59Å; Y131-Y163 AromaticContact CD1-CE1 3.82Å; Y131-Y163 HydrophobicContact CD1-CE1 3.82Å; Y131-Y163 HydrophobicContact CD1-CG 4.39Å; Y131-Y163 AromaticContact CD2-CD1 3.81Å; Y131-Y163 HydrophobicContact CD2-CD1 3.81Å; Y131-Y163 HydrophobicContact CD2-CG 4Å; Y131-Y163 HydrophobicContact CE1-CD1 4.04Å; Y131-Y163 HydrophobicContact CE1-CE1 4.35Å; Y131-Y163 HydrophobicContact CE2-CD1 4.24Å; Y131-Y163 AromaticContact CG-CD1 3.47Å; Y131-Y163 HydrophobicContact CG-CD1 3.47Å; Y131-Y163 VanDerWaalsContact CG-CD1 3.47Å; Y131-Y163 HydrophobicContact CG-CE1 4.08Å; Y131-Y163 AromaticContact CG-CG 3.82Å; Y131-Y163 HydrophobicContact CG-CG 3.82Å; Y131-D171 HydrophobicContact CE2-CB 4.42Å; Y131-D171 WeakPolarHBondContact CE2-OD2 3.24Å; Y131-D171 PolarHBondContact OH-OD2 3Å; Y131-Y173 HydrophobicContact CE1-CE1 4.1Å; Y131-Y173 HydrophobicContact CE2-CE1 4.23Å; Y131-Y173 AromaticContact CZ-CE1 3.69Å; Y131-Y173 WeakPolarHBondContact OH-CE1 3.32Å; Y131-Y173 PolarHBondContact OH-OH 3.12Å |
| 132 | M | 90.6 | Very high | 88.1 | Confident | 19 Ų | 19 | 63 Ų | 63 | 9% | 0.094 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.1 | -45.4 | 179 | -75.1 | -58.2 | -50.7 | 0 | 0 | 112.5 | E128 E129 M134 V135 D136 E147 F149 A150 | E128-M132 HydrophobicContact CG-CG 4.14Å; E128-M132 WeakPolarHBondContact O-CB 3.25Å; E128-M132 WeakPolarHBondContact O-CG 3.48Å; E128-M132 PolarHBondContact O-N 2.72Å; E129-M132 PolarHBondContact O-N 2.67Å; M132-M134 VanDerWaalsContact C-N 3.26Å; M132-M134 PolarHBondContact O-N 3.21Å; M132-V135 PolarHBondContact O-N 3.1Å; M132-V135 VanDerWaalsContact O-N 3.12Å; M132-D136 WeakPolarHBondContact O-CB 3.35Å; M132-D136 PolarHBondContact O-N 3.09Å; M132-E147 WeakPolarHBondContact CE-O 3.38Å; M132-F149 HydrophobicContact CE-CB 3.95Å; M132-F149 HydrophobicContact SD-CB 3.85Å; M132-A150 HydrophobicContact SD-CB 4.28Å |
| 133 | E | 90 | Very high | 86.4 | Confident | 128 Ų | 128 | 64.6 Ų | 64.6 | 60% | 0.598 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -51.8 | -43.6 | 172.6 | -74.2 | 164.5 | -169.2 | 0 | 0 | 112.2 | E129 Y131 K137 | E129-E133 WeakPolarHBondContact O-CB 3.43Å; E129-E133 VanDerWaalsContact O-CG 3.27Å; E129-E133 WeakPolarHBondContact O-CG 3.34Å; E129-E133 PolarHBondContact O-N 3.08Å; Y131-E133 PolarHBondContact O-N 2.8Å; E133-K137 WeakPolarHBondContact O-CB 3.38Å; E133-K137 PolarHBondContact O-N 3.49Å |
| 134 | M | 89.6 | Confident | 84.5 | Confident | 57 Ų | 57 | 70 Ų | 70 | 28% | 0.281 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -71.1 | -40.3 | 177.6 | -173.5 | 169.7 | -73.4 | 0 | 0 | 112.8 | T123 L125 K130 Y131 M132 K137 C138 R165 | T123-M134 HydrophobicContact CG2-CE 3.75Å; T123-M134 HydrophobicContact CG2-SD 4.23Å; L125-M134 HydrophobicContact CD1-CB 4.12Å; L125-M134 HydrophobicContact CD1-CE 4.1Å; L125-M134 HydrophobicContact CD1-SD 3.82Å; L125-M134 HydrophobicContact CD2-CE 4.49Å; K130-M134 PolarHBondContact O-N 3.08Å; Y131-M134 WeakPolarHBondContact O-CB 3.26Å; Y131-M134 PolarHBondContact O-N 2.98Å; Y131-M134 VanDerWaalsContact O-N 3.12Å; M132-M134 VanDerWaalsContact C-N 3.26Å; M132-M134 PolarHBondContact O-N 3.21Å; M134-K137 PolarHBondContact O-N 3.15Å; M134-C138 PolarHBondContact O-N 2.97Å; M134-C138 PolarHBondContact O-SG 3.22Å; M134-R165 HydrophobicContact CG-CG 4.2Å; M134-R165 HydrophobicContact SD-CB 3.87Å; M134-R165 HydrophobicContact SD-CG 3.73Å |
| 135 | V | 89 | Confident | 82.8 | Confident | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -68.9 | -37.8 | 178.1 | -174.9 | 0 | 0 | 0 | 0 | 111 | Y131 M132 C138 Y139 F149 F271 | Y131-V135 HydrophobicContact CD1-CG2 4.3Å; Y131-V135 HydrophobicContact CD2-CG2 4.05Å; Y131-V135 HydrophobicContact CE1-CG2 3.8Å; Y131-V135 HydrophobicContact CE2-CG2 3.52Å; Y131-V135 HydrophobicContact CG-CG2 4.4Å; Y131-V135 WeakPolarHBondContact O-CG2 3.32Å; Y131-V135 PolarHBondContact O-N 3.17Å; M132-V135 PolarHBondContact O-N 3.1Å; M132-V135 VanDerWaalsContact O-N 3.12Å; V135-C138 PolarHBondContact O-N 3.11Å; V135-Y139 PolarHBondContact O-N 3.16Å; V135-F149 HydrophobicContact CB-CD1 4.5Å; V135-F149 HydrophobicContact CG1-CD1 3.75Å; V135-F149 HydrophobicContact CG1-CE1 3.72Å; V135-F149 HydrophobicContact CG1-CG 4.33Å; V135-F149 HydrophobicContact CG1-CZ 4.27Å; V135-F149 HydrophobicContact CG2-CD1 4.33Å; V135-F149 HydrophobicContact CG2-CE1 4.36Å; V135-F271 HydrophobicContact CG1-CD2 4.31Å; V135-F271 HydrophobicContact CG1-CE2 3.33Å; V135-F271 HydrophobicContact CG1-CZ 3.65Å |
| 136 | D | 87.6 | Confident | 81.1 | Confident | 66 Ų | 66 | 81.1 Ų | 81.1 | 35% | 0.353 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.2 | -46.6 | 173.6 | -73.2 | -35.3 | 0 | 0 | 0 | 110.9 | M132 C138 Y139 K267 | M132-D136 WeakPolarHBondContact O-CB 3.35Å; M132-D136 PolarHBondContact O-N 3.09Å; D136-C138 PolarHBondContact O-N 2.89Å; D136-C138 VanDerWaalsContact O-N 3.11Å; D136-Y139 PolarHBondContact O-N 2.96Å; D136-K267 IonicContact OD1-NZ 2.67Å; D136-K267 PolarHBondContact OD1-NZ 3.21Å |
| 137 | K | 88.2 | Confident | 79.9 | Confident | 191 Ų | 191 | 79.9 Ų | 79.9 | 83% | 0.83 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -59.3 | -23 | 173.6 | -172.9 | 175.3 | 178.9 | -178.6 | 0 | 113.9 | E133 M134 | E133-K137 WeakPolarHBondContact O-CB 3.38Å; E133-K137 PolarHBondContact O-N 3.49Å; M134-K137 PolarHBondContact O-N 3.15Å |
| 138 | C | 85.9 | Confident | 78.9 | Confident | 61 Ų | 61 | 84.7 Ų | 84.7 | 41% | 0.412 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 2.1 | 175.4 | -67.1 | 0 | 0 | 0 | 0 | 114.7 | M134 V135 D136 R165 F271 | M134-C138 PolarHBondContact O-N 2.97Å; M134-C138 PolarHBondContact O-SG 3.22Å; V135-C138 PolarHBondContact O-N 3.11Å; D136-C138 PolarHBondContact O-N 2.89Å; D136-C138 VanDerWaalsContact O-N 3.11Å; C138-R165 PolarHBondContact SG-NH2 3.29Å; C138-F271 HydrophobicContact CB-CE1 3.96Å; C138-F271 HydrophobicContact CB-CZ 4.09Å |
| 139 | Y | 86.3 | Confident | 78.4 | Confident | 15 Ų | 15 | 82.9 Ų | 82.9 | 6% | 0.059 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -111.1 | 124.9 | -175.7 | -175.7 | -122.7 | 0 | 0 | 0 | 111.1 | V135 D136 D141 L256 R266 K267 W270 | V135-Y139 PolarHBondContact O-N 3.16Å; D136-Y139 PolarHBondContact O-N 2.96Å; Y139-D141 HydrophobicContact CD1-CB 3.94Å; Y139-D141 HydrophobicContact CE1-CB 3.52Å; Y139-D141 PolarHBondContact O-N 3.37Å; Y139-L256 HydrophobicContact CE2-CD2 3.9Å; Y139-R266 PolarHBondContact OH-NH1 3.25Å; Y139-K267 HydrophobicContact CD1-CD 4.27Å; Y139-K267 HydrophobicContact CD1-CG 4.32Å; Y139-K267 HydrophobicContact CD2-CB 4.42Å; Y139-K267 HydrophobicContact CD2-CG 4.03Å; Y139-K267 HydrophobicContact CE1-CB 4.46Å; Y139-K267 HydrophobicContact CE2-CB 4.17Å; Y139-K267 HydrophobicContact CE2-CG 4.29Å; Y139-K267 HydrophobicContact CG-CD 4.36Å; Y139-K267 HydrophobicContact CG-CG 4.08Å; Y139-W270 HydrophobicContact CD2-CB 4.3Å; Y139-W270 AromaticContact CD2-CD1 3.64Å; Y139-W270 HydrophobicContact CD2-CG 4.03Å; Y139-W270 HydrophobicContact CE2-CB 3.98Å; Y139-W270 HydrophobicContact CE2-CG 4.09Å |
| 140 | P | 80.6 | Confident | 78 | Confident | 73 Ų | 73 | 77.5 Ų | 77.5 | 47% | 0.474 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -74.3 | 34.4 | -171.3 | -18.4 | 32.3 | 0 | 0 | 0 | 117.6 | L256 W270 | P140-L256 HydrophobicContact CB-CD1 3.79Å; P140-L256 HydrophobicContact CG-CD1 3.99Å; P140-W270 HydrophobicContact CG-CH2 4.3Å; P140-W270 HydrophobicContact CG-CZ2 3.66Å |
| 141 | D | 73.5 | Confident | 77.4 | Confident | 50 Ų | 50 | 72.3 Ų | 72.3 | 27% | 0.267 | 37% | 0.37 | S | S | . | . | trans | -141.9 | 102.2 | -175.6 | 177.5 | -12.9 | 0 | 0 | 0 | 108.4 | Y139 S143 R266 | Y139-D141 HydrophobicContact CD1-CB 3.94Å; Y139-D141 HydrophobicContact CE1-CB 3.52Å; Y139-D141 PolarHBondContact O-N 3.37Å; D141-S143 PolarHBondContact O-N 3.46Å; D141-S143 WeakPolarHBondContact OD1-CB 3.43Å; D141-S143 PolarHBondContact OD1-OG 2.79Å; D141-R266 IonicContact OD2-CZ 3.88Å; D141-R266 IonicContact OD2-NH1 2.8Å; D141-R266 PolarHBondContact OD2-NH1 3.26Å | ||
| 142 | D | 60.2 | Low | 76.5 | Confident | 155 Ų | 155 | 74.5 Ų | 74.5 | 83% | 0.829 | 39% | 0.385 | S | S | * | . | trans | -66.5 | 20.6 | -170.6 | -56 | -61.2 | 0 | 0 | 0 | 115.4 | N144 | D142-N144 PolarHBondContact O-N 3.44Å; D142-N144 VanDerWaalsContact O-N 3.08Å | ||
| 143 | S | 59.1 | Low | 75.5 | Confident | 42 Ų | 42 | 77.8 Ų | 77.8 | 29% | 0.294 | 40% | 0.402 | S | S | . | . | trans | -89 | 84.5 | -165.8 | 60.6 | 0 | 0 | 0 | 0 | 112.8 | D141 V145 K263 | D141-S143 PolarHBondContact O-N 3.46Å; D141-S143 WeakPolarHBondContact OD1-CB 3.43Å; D141-S143 PolarHBondContact OD1-OG 2.79Å; S143-V145 PolarHBondContact O-N 3.17Å; S143-K263 PolarHBondContact O-NZ 2.93Å; S143-K263 WeakPolarHBondContact OG-CE 3.5Å; S143-K263 PolarHBondContact OG-NZ 3.3Å | ||
| 144 | N | 53.9 | Low | 74.4 | Confident | 172 Ų | 172 | 77.3 Ų | 77.3 | 92% | 0.92 | 41% | 0.41 | S | S | * | . | trans | -47.2 | 47.4 | 179.7 | -65.3 | -53 | 0 | 0 | 0 | 118.2 | D142 | D142-N144 PolarHBondContact O-N 3.44Å; D142-N144 VanDerWaalsContact O-N 3.08Å | ||
| 145 | V | 59.1 | Low | 73.7 | Confident | 87 Ų | 87 | 77.6 Ų | 77.6 | 53% | 0.527 | 43% | 0.428 | S | S | . | . | trans | -105.8 | 122.7 | 174.1 | 179.6 | 0 | 0 | 0 | 0 | 107.2 | S143 E147 | S143-V145 PolarHBondContact O-N 3.17Å; V145-E147 PolarHBondContact O-N 3.01Å | ||
| 146 | K | 60.8 | Low | 73.3 | Confident | 205 Ų | 205 | 79.6 Ų | 79.6 | 89% | 0.891 | 44% | 0.438 | S | S | * | . | trans | -57.9 | 126.1 | 176.3 | -68.7 | -165.1 | 172.9 | -163.5 | 0 | 110.3 | ||||
| 147 | E | 67.9 | Low | 73.2 | Confident | 23 Ų | 23 | 78.3 Ų | 78.3 | 11% | 0.107 | 43% | 0.433 | C | S | . | . | trans | -124.2 | 132.5 | -172.4 | -90.1 | -175.3 | -133.1 | 0 | 0 | 112.5 | M132 V145 F149 K263 T264 | M132-E147 WeakPolarHBondContact CE-O 3.38Å; V145-E147 PolarHBondContact O-N 3.01Å; E147-F149 VanDerWaalsContact C-N 3.28Å; E147-F149 PolarHBondContact O-N 3.16Å; E147-K263 VanDerWaalsContact CD-CB 3.41Å; E147-K263 WeakPolarHBondContact OE1-CB 3.49Å; E147-K263 WeakPolarHBondContact OE1-CD 3.3Å; E147-K263 IonicContact OE1-NZ 2.98Å; E147-K263 WeakPolarHBondContact OE2-CB 3.15Å; E147-T264 HydrophobicContact CB-CG2 3.79Å; E147-T264 HydrophobicContact CG-CG2 3.8Å; E147-T264 VanDerWaalsContact OE2-CA 3.24Å; E147-T264 WeakPolarHBondContact OE2-CA 3.32Å; E147-T264 WeakPolarHBondContact OE2-CG2 3.37Å; E147-T264 PolarHBondContact OE2-N 2.98Å | ||
| 148 | E | 70.8 | Confident | 73.1 | Confident | 146 Ų | 146 | 69.9 Ų | 69.9 | 68% | 0.682 | 40% | 0.4 | S | S | * | . | trans | -75.4 | 79 | 176 | -166.2 | 178.7 | -164.5 | 0 | 0 | 110.1 | ||||
| 149 | F | 78.9 | Confident | 73.2 | Confident | 16 Ų | 16 | 74.6 Ų | 74.6 | 7% | 0.07 | 42% | 0.416 | C | S | . | . | trans | -99.2 | -36.8 | 176.3 | -175.6 | -92 | 0 | 0 | 0 | 112.7 | Y131 M132 V135 E147 K267 K268 F271 | Y131-F149 HydrophobicContact CE1-CD1 4.27Å; Y131-F149 WeakPolarHBondContact OH-CE1 3.3Å; M132-F149 HydrophobicContact CE-CB 3.95Å; M132-F149 HydrophobicContact SD-CB 3.85Å; V135-F149 HydrophobicContact CB-CD1 4.5Å; V135-F149 HydrophobicContact CG1-CD1 3.75Å; V135-F149 HydrophobicContact CG1-CE1 3.72Å; V135-F149 HydrophobicContact CG1-CG 4.33Å; V135-F149 HydrophobicContact CG1-CZ 4.27Å; V135-F149 HydrophobicContact CG2-CD1 4.33Å; V135-F149 HydrophobicContact CG2-CE1 4.36Å; E147-F149 VanDerWaalsContact C-N 3.28Å; E147-F149 PolarHBondContact O-N 3.16Å; F149-K267 HydrophobicContact CD2-CB 4.23Å; F149-K267 HydrophobicContact CD2-CD 3.95Å; F149-K267 HydrophobicContact CD2-CG 3.78Å; F149-K267 HydrophobicContact CE2-CB 4.42Å; F149-K267 HydrophobicContact CE2-CG 3.95Å; F149-K267 HydrophobicContact CG-CD 4.35Å; F149-K268 HydrophobicContact CD2-CG 4.16Å; F149-K268 HydrophobicContact CE2-CB 4.47Å; F149-K268 HydrophobicContact CE2-CG 3.82Å; F149-F271 HydrophobicContact CE1-CD2 4.36Å; F149-F271 AromaticContact CE2-CD2 3.77Å; F149-F271 HydrophobicContact CE2-CD2 3.77Å; F149-F271 HydrophobicContact CE2-CE2 4.15Å; F149-F271 AromaticContact CZ-CD2 3.48Å; F149-F271 HydrophobicContact CZ-CD2 3.48Å; F149-F271 VanDerWaalsContact CZ-CD2 3.48Å; F149-F271 AromaticContact CZ-CE2 3.95Å; F149-F271 HydrophobicContact CZ-CE2 3.95Å | ||
| 150 | A | 80.9 | Confident | 73.6 | Confident | 5 Ų | 5 | 76.1 Ų | 76.1 | 4% | 0.041 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -58.3 | 160.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | E128 Y131 M132 Y163 | E128-A150 HydrophobicContact CG-CB 3.8Å; Y131-A150 HydrophobicContact CD1-CB 4.14Å; Y131-A150 HydrophobicContact CE1-CB 4.07Å; M132-A150 HydrophobicContact SD-CB 4.28Å; A150-Y163 HydrophobicContact CB-CE1 4.38Å |
| 151 | P | 79.7 | Confident | 74.2 | Confident | 7 Ų | 7 | 73.4 Ų | 73.4 | 5% | 0.045 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -56.7 | 141.2 | 167.4 | -21.7 | 33 | 0 | 0 | 0 | 110.9 | F79 W85 L153 Y173 | F79-P151 HydrophobicContact CD1-CB 3.96Å; F79-P151 HydrophobicContact CD1-CG 4.02Å; F79-P151 HydrophobicContact CD2-CB 4.07Å; F79-P151 HydrophobicContact CE1-CB 3.99Å; F79-P151 HydrophobicContact CE1-CG 4.32Å; F79-P151 HydrophobicContact CE2-CB 4.12Å; F79-P151 HydrophobicContact CG-CB 3.98Å; F79-P151 HydrophobicContact CG-CG 4.29Å; F79-P151 HydrophobicContact CZ-CB 4.07Å; W85-P151 HydrophobicContact CZ2-CB 4.18Å; P151-L153 PolarHBondContact O-N 2.64Å; P151-Y173 HydrophobicContact CG-CD1 3.39Å; P151-Y173 HydrophobicContact CG-CD2 3.65Å; P151-Y173 HydrophobicContact CG-CE1 3.69Å; P151-Y173 HydrophobicContact CG-CE2 3.96Å; P151-Y173 HydrophobicContact CG-CG 3.34Å |
| 152 | P | 73.8 | Confident | 75.2 | Confident | 47 Ų | 47 | 71 Ų | 71 | 31% | 0.305 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 123.8 | -178.7 | -23.1 | 33.6 | 0 | 0 | 0 | 112.1 | P154 | P152-P154 VanDerWaalsContact C-CD 3.45Å; P152-P154 VanDerWaalsContact C-N 3.32Å |
| 153 | L | 69.9 | Low | 76.9 | Confident | 88 Ų | 88 | 64 Ų | 64 | 46% | 0.461 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -56.8 | -39.2 | 167.1 | -57.2 | -179.1 | 0 | 0 | 0 | 112.3 | E128 P151 G155 M156 | E128-L153 VanDerWaalsContact OE2-CD1 3.29Å; E128-L153 WeakPolarHBondContact OE2-CD1 3.23Å; E128-L153 WeakPolarHBondContact OE2-CD2 3.35Å; E128-L153 VanDerWaalsContact OE2-CG 3.28Å; E128-L153 WeakPolarHBondContact OE2-CG 3.47Å; P151-L153 PolarHBondContact O-N 2.64Å; L153-G155 PolarHBondContact O-N 2.98Å; L153-M156 HydrophobicContact CD2-CE 4.05Å; L153-M156 WeakPolarHBondContact O-CB 3.43Å; L153-M156 PolarHBondContact O-N 3.37Å |
| 154 | P | 66.4 | Low | 78.6 | Confident | 117 Ų | 117 | 62 Ų | 62 | 76% | 0.76 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | 109.1 | 174.5 | -21.7 | 35 | 0 | 0 | 0 | 111.3 | P152 | P152-P154 VanDerWaalsContact C-CD 3.45Å; P152-P154 VanDerWaalsContact C-N 3.32Å |
| 155 | G | 74.8 | Confident | 80.6 | Confident | 64 Ų | 64 | 54.5 Ų | 54.5 | 66% | 0.66 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 104.3 | 4.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L153 | L153-G155 PolarHBondContact O-N 2.98Š|
| 156 | M | 81.8 | Confident | 82.2 | Confident | 42 Ų | 42 | 50.5 Ų | 50.5 | 21% | 0.207 | 28% | 0.275 | C | S | . | . | trans | -64.7 | 126.3 | 172.3 | -172.5 | 165 | 62.4 | 0 | 0 | 111.3 | W85 L153 G158 P161 C175 | W85-M156 HydrophobicContact CZ2-CB 4.49Å; W85-M156 HydrophobicContact CZ2-CG 3.96Å; W85-M156 HydrophobicContact CZ2-SD 4.14Å; L153-M156 HydrophobicContact CD2-CE 4.05Å; L153-M156 WeakPolarHBondContact O-CB 3.43Å; L153-M156 PolarHBondContact O-N 3.37Å; M156-G158 WeakPolarHBondContact CE-O 3.31Å; M156-G158 WeakPolarHBondContact CG-O 3.36Å; M156-G158 PolarHBondContact O-N 2.85Å; M156-G158 VanDerWaalsContact O-N 3.15Å; M156-P161 HydrophobicContact CE-CG 4.47Å; M156-P161 HydrophobicContact SD-CB 4.02Å; M156-C175 HydrophobicContact CG-CB 4.09Å; M156-C175 WeakPolarHBondContact CG-SG 3.47Å; M156-C175 HydrophobicContact SD-CB 4.37Å | ||
| 157 | P | 85.2 | Confident | 83.8 | Confident | 39 Ų | 39 | 42 Ų | 42 | 25% | 0.253 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -74.1 | 0.7 | -172.1 | -19.7 | 32.1 | 0 | 0 | 0 | 116.8 | W77 W85 K177 | W77-P157 HydrophobicContact CB-CB 4.42Å; W77-P157 HydrophobicContact CB-CG 4.18Å; W77-P157 HydrophobicContact CD2-CB 3.65Å; W77-P157 HydrophobicContact CD2-CG 3.65Å; W77-P157 HydrophobicContact CE3-CB 3.86Å; W77-P157 HydrophobicContact CE3-CG 3.39Å; W77-P157 HydrophobicContact CG-CB 3.89Å; W77-P157 HydrophobicContact CG-CG 3.99Å; W77-P157 HydrophobicContact CZ3-CB 4.45Å; W77-P157 HydrophobicContact CZ3-CG 4.05Å; W85-P157 HydrophobicContact CB-CG 3.56Å; W85-P157 HydrophobicContact CD2-CG 4.39Å; W85-P157 VanDerWaalsContact CG-CD 3.44Å; W85-P157 HydrophobicContact CG-CG 3.9Å; P157-K177 WeakPolarHBondContact O-CE 3.44Å; P157-K177 WeakPolarHBondContact O-CG 3.43Å |
| 158 | G | 84.9 | Confident | 85 | Confident | 13 Ų | 13 | 42.4 Ų | 42.4 | 13% | 0.134 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -160.7 | 178.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | M156 C175 | M156-G158 WeakPolarHBondContact CE-O 3.31Å; M156-G158 WeakPolarHBondContact CG-O 3.36Å; M156-G158 PolarHBondContact O-N 2.85Å; M156-G158 VanDerWaalsContact O-N 3.15Å; G158-C175 VanDerWaalsContact C-SG 3.58Å; G158-C175 VanDerWaalsContact CA-SG 3.54Å; G158-C175 PolarHBondContact N-SG 2.82Å; G158-C175 VanDerWaalsContact N-SG 3.41Å |
| 159 | Q | 89.6 | Confident | 86 | Confident | 161 Ų | 161 | 35.6 Ų | 35.6 | 75% | 0.752 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -105.1 | -7.4 | -173.3 | -68 | 176.9 | 76 | 0 | 0 | 113.4 | P161 F176 | Q159-P161 VanDerWaalsContact O-CD 3.25Å; Q159-P161 WeakPolarHBondContact O-CD 3.25Å; Q159-F176 PolarHBondContact N-O 3.41Å |
| 160 | F | 92.9 | Very high | 86.5 | Confident | 46 Ų | 46 | 37.2 Ų | 37.2 | 20% | 0.202 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 84.7 | -169.4 | -55.9 | -73.3 | 0 | 0 | 0 | 110.2 | F176 E179 R182 | F160-F176 HydrophobicContact CB-CB 4.14Å; F160-F176 WeakPolarHBondContact CD2-O 3.32Å; F160-F176 PolarHBondContact N-O 3.31Å; F160-F176 VanDerWaalsContact N-O 3.13Å; F160-F176 PolarHBondContact O-N 3.5Å; F160-E179 HydrophobicContact CD1-CB 4.12Å; F160-E179 HydrophobicContact CE1-CB 3.82Å; F160-E179 HydrophobicContact CE1-CG 4.43Å; F160-E179 HydrophobicContact CE2-CB 4.3Å; F160-E179 HydrophobicContact CG-CB 4.48Å; F160-E179 HydrophobicContact CZ-CB 3.92Å; F160-R182 HydrophobicContact CB-CB 4.22Å |
| 161 | P | 93.5 | Very high | 87.1 | Confident | 16 Ų | 16 | 37.6 Ų | 37.6 | 10% | 0.104 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 157.9 | 178.3 | 31.4 | -35.5 | 0 | 0 | 0 | 112.2 | M156 Q159 Y163 F174 | M156-P161 HydrophobicContact CE-CG 4.47Å; M156-P161 HydrophobicContact SD-CB 4.02Å; Q159-P161 VanDerWaalsContact O-CD 3.25Å; Q159-P161 WeakPolarHBondContact O-CD 3.25Å; P161-Y163 HydrophobicContact CB-CD2 4.43Å; P161-Y163 HydrophobicContact CB-CE2 3.76Å; P161-Y163 HydrophobicContact CG-CE2 3.98Å; P161-F174 CarbonylContact C-O 3.52Å; P161-F174 WeakPolarHBondContact CA-O 3.47Å |
| 162 | V | 95.3 | Very high | 87.7 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 121.3 | 167.6 | -175.6 | 0 | 0 | 0 | 0 | 108.3 | I124 F174 F176 R182 F185 I186 L189 | I124-V162 HydrophobicContact CG2-CG1 3.66Å; V162-F174 HydrophobicContact CB-CB 4.32Å; V162-F174 PolarHBondContact N-O 2.69Å; V162-F174 PolarHBondContact O-N 2.76Å; V162-F176 HydrophobicContact CB-CE2 4.45Å; V162-F176 HydrophobicContact CG2-CD2 4.01Å; V162-F176 HydrophobicContact CG2-CE2 3.8Å; V162-R182 HydrophobicContact CG2-CG 3.68Å; V162-F185 HydrophobicContact CG1-CD1 4.46Å; V162-F185 HydrophobicContact CG1-CE1 4.28Å; V162-F185 HydrophobicContact CG2-CD1 4.41Å; V162-I186 HydrophobicContact CG1-CG1 4.23Å; V162-I186 HydrophobicContact CG2-CD1 4.04Å; V162-I186 HydrophobicContact CG2-CG1 4.01Å; V162-L189 HydrophobicContact CG1-CD2 4.4Å |
| 163 | Y | 95.2 | Very high | 88.6 | Confident | 8 Ų | 8 | 36.6 Ų | 36.6 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 125 | 175.7 | -56 | -102.8 | 0 | 0 | 0 | 108 | L125 Y131 A150 P161 Y173 | L125-Y163 PolarHBondContact N-O 3.33Å; L125-Y163 PolarHBondContact O-N 3.19Å; Y131-Y163 AromaticContact CD1-CD1 3.59Å; Y131-Y163 HydrophobicContact CD1-CD1 3.59Å; Y131-Y163 AromaticContact CD1-CE1 3.82Å; Y131-Y163 HydrophobicContact CD1-CE1 3.82Å; Y131-Y163 HydrophobicContact CD1-CG 4.39Å; Y131-Y163 AromaticContact CD2-CD1 3.81Å; Y131-Y163 HydrophobicContact CD2-CD1 3.81Å; Y131-Y163 HydrophobicContact CD2-CG 4Å; Y131-Y163 HydrophobicContact CE1-CD1 4.04Å; Y131-Y163 HydrophobicContact CE1-CE1 4.35Å; Y131-Y163 HydrophobicContact CE2-CD1 4.24Å; Y131-Y163 AromaticContact CG-CD1 3.47Å; Y131-Y163 HydrophobicContact CG-CD1 3.47Å; Y131-Y163 VanDerWaalsContact CG-CD1 3.47Å; Y131-Y163 HydrophobicContact CG-CE1 4.08Å; Y131-Y163 AromaticContact CG-CG 3.82Å; Y131-Y163 HydrophobicContact CG-CG 3.82Å; A150-Y163 HydrophobicContact CB-CE1 4.38Å; P161-Y163 HydrophobicContact CB-CD2 4.43Å; P161-Y163 HydrophobicContact CB-CE2 3.76Å; P161-Y163 HydrophobicContact CG-CE2 3.98Å; Y163-Y173 AromaticContact CD1-CD1 3.64Å; Y163-Y173 HydrophobicContact CD1-CD1 3.64Å; Y163-Y173 HydrophobicContact CD1-CE1 4.01Å; Y163-Y173 HydrophobicContact CE1-CD1 4.18Å |
| 164 | L | 95.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 100.2 | 172 | 174.9 | 63.7 | 0 | 0 | 0 | 108.3 | L117 P119 L166 D171 Y172 F174 L189 I193 | L117-L164 HydrophobicContact CD2-CD2 3.92Å; P119-L164 HydrophobicContact CB-CD2 4.24Å; L164-L166 HydrophobicContact CD1-CD2 3.92Å; L164-L166 HydrophobicContact CD2-CD2 4.15Å; L164-L166 HydrophobicContact CG-CD2 3.85Å; L164-L166 HydrophobicContact CG-CG 4.26Å; L164-D171 VanDerWaalsContact O-CA 3.32Å; L164-D171 WeakPolarHBondContact O-CA 3.47Å; L164-Y172 HydrophobicContact CD2-CD2 4.41Å; L164-Y172 PolarHBondContact N-O 2.69Å; L164-Y172 PolarHBondContact O-N 3.18Å; L164-F174 HydrophobicContact CB-CE2 4.42Å; L164-L189 HydrophobicContact CB-CD2 4.43Å; L164-L189 HydrophobicContact CD1-CD1 4.35Å; L164-L189 HydrophobicContact CD1-CD2 4.29Å; L164-L189 HydrophobicContact CD2-CD1 3.99Å; L164-L189 HydrophobicContact CD2-CD2 4.41Å; L164-I193 HydrophobicContact CD1-CD1 3.95Å |
| 165 | R | 94.4 | Very high | 91.1 | Very high | 13 Ų | 13 | 27 Ų | 27 | 5% | 0.049 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 133.2 | 170.5 | -172.6 | 92.4 | -178.7 | 122.9 | 2.9 | 108.7 | G122 T123 M134 C138 D171 | G122-R165 CarbonylContact C-O 3.55Å; G122-R165 VanDerWaalsContact CA-O 3.25Å; G122-R165 WeakPolarHBondContact CA-O 3.39Å; T123-R165 PolarHBondContact N-O 3.21Å; T123-R165 PolarHBondContact O-N 3.5Å; M134-R165 HydrophobicContact CG-CG 4.2Å; M134-R165 HydrophobicContact SD-CB 3.87Å; M134-R165 HydrophobicContact SD-CG 3.73Å; C138-R165 PolarHBondContact SG-NH2 3.29Å; R165-D171 WeakPolarHBondContact CA-OD1 3.26Å; R165-D171 WeakPolarHBondContact CD-OD1 3.49Å; R165-D171 IonicContact CZ-OD1 3.66Å; R165-D171 IonicContact CZ-OD2 2.72Å; R165-D171 IonicContact NE-OD1 3.7Å; R165-D171 IonicContact NH1-OD1 3.85Å; R165-D171 PolarHBondContact NH1-OD1 3.1Å; R165-D171 IonicContact NH1-OD2 2.67Å; R165-D171 PolarHBondContact NH1-OD2 3.42Å |
| 166 | L | 94.3 | Very high | 92 | Very high | 4 Ų | 4 | 24.2 Ų | 24.2 | 2% | 0.021 | 12% | 0.119 | C | C | . | . | trans | -119.2 | 146.2 | 173.7 | -61.1 | -177.9 | 0 | 0 | 0 | 111.3 | L117 P119 L164 Y168 R169 D171 Y172 | L117-L166 HydrophobicContact CD1-CD1 3.85Å; P119-L166 HydrophobicContact CB-CD2 4.28Å; L164-L166 HydrophobicContact CD1-CD2 3.92Å; L164-L166 HydrophobicContact CD2-CD2 4.15Å; L164-L166 HydrophobicContact CG-CD2 3.85Å; L164-L166 HydrophobicContact CG-CG 4.26Å; L166-Y168 PolarHBondContact O-N 3.27Å; L166-R169 HydrophobicContact CB-CB 4.05Å; L166-R169 HydrophobicContact CD1-CB 4.4Å; L166-D171 PolarHBondContact N-OD1 2.79Å; L166-Y172 HydrophobicContact CD1-CD2 3.84Å; L166-Y172 HydrophobicContact CD1-CE2 3.57Å; L166-Y172 HydrophobicContact CG-CD2 4.49Å | ||
| 167 | P | 92.7 | Very high | 92.5 | Very high | 26 Ų | 26 | 28 Ų | 28 | 17% | 0.169 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | 136.1 | 170.5 | 28.6 | -34.2 | 0 | 0 | 0 | 110 | T120 G121 R169 M230 | T120-P167 WeakPolarHBondContact O-CD 3.45Å; G121-P167 WeakPolarHBondContact O-CD 3.44Å; P167-R169 WeakPolarHBondContact O-CG 3.23Å; P167-R169 PolarHBondContact O-N 3.46Å; P167-M230 HydrophobicContact CB-CE 3.69Å; P167-M230 HydrophobicContact CG-CE 4.24Å |
| 168 | Y | 93.4 | Very high | 93 | Very high | 32 Ų | 32 | 31.4 Ų | 31.4 | 13% | 0.125 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 17.4 | 172 | -44.1 | -44.8 | 0 | 0 | 0 | 116.3 | L166 M230 N241 M244 L248 M274 E275 Y278 | L166-Y168 PolarHBondContact O-N 3.27Å; Y168-M230 HydrophobicContact CD2-CE 4.2Å; Y168-M230 HydrophobicContact CE2-CE 3.45Å; Y168-M230 VanDerWaalsContact CE2-CE 3.45Å; Y168-N241 HydrophobicContact CE2-CB 4.17Å; Y168-M244 HydrophobicContact CD1-CB 4.25Å; Y168-M244 HydrophobicContact CD1-CE 4.18Å; Y168-M244 HydrophobicContact CD2-CB 3.92Å; Y168-M244 HydrophobicContact CD2-CG 3.98Å; Y168-M244 HydrophobicContact CE1-CB 4.06Å; Y168-M244 HydrophobicContact CE2-CB 3.69Å; Y168-M244 HydrophobicContact CE2-CG 4.26Å; Y168-M244 HydrophobicContact CG-CB 4.19Å; Y168-M244 HydrophobicContact CG-CE 4.24Å; Y168-M244 HydrophobicContact CG-CG 4.13Å; Y168-L248 HydrophobicContact CD1-CD1 3.72Å; Y168-L248 HydrophobicContact CE1-CD1 3.36Å; Y168-M274 HydrophobicContact CD1-CG 4.45Å; Y168-M274 HydrophobicContact CD1-SD 4.22Å; Y168-E275 WeakPolarHBondContact O-CA 3.32Å; Y168-Y278 VanDerWaalsContact CB-CG 3.48Å; Y168-Y278 AromaticContact CD2-CD2 4Å; Y168-Y278 HydrophobicContact CD2-CD2 4Å; Y168-Y278 HydrophobicContact CD2-CE1 4.5Å; Y168-Y278 AromaticContact CD2-CE2 3.58Å; Y168-Y278 HydrophobicContact CD2-CE2 3.58Å; Y168-Y278 AromaticContact CD2-CZ 3.84Å; Y168-Y278 HydrophobicContact CG-CD2 4.25Å; Y168-Y278 HydrophobicContact CG-CE2 4.24Å; Y168-Y278 HydrophobicContact CG-CG 4.43Å; Y168-Y278 WeakPolarHBondContact O-CB 3.26Å; Y168-Y278 VanDerWaalsContact O-CD1 3.26Å; Y168-Y278 WeakPolarHBondContact O-CD1 3.48Å |
| 169 | R | 92.6 | Very high | 93.4 | Very high | 3 Ų | 3 | 35.9 Ų | 35.9 | 1% | 0.011 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -138.5 | 174.9 | -174.6 | -67.6 | -177.6 | -73 | 163.1 | -1.5 | 111.7 | L118 T120 L166 P167 Y278 N872 | L118-R169 PolarHBondContact O-NH1 2.89Å; L118-R169 PolarHBondContact O-NH2 2.92Å; L118-R169 VanDerWaalsContact O-NH2 3.12Å; T120-R169 PolarHBondContact O-NH2 2.87Å; L166-R169 HydrophobicContact CB-CB 4.05Å; L166-R169 HydrophobicContact CD1-CB 4.4Å; P167-R169 WeakPolarHBondContact O-CG 3.23Å; P167-R169 PolarHBondContact O-N 3.46Å; R169-Y278 HydrophobicContact CG-CD1 3.64Å; R169-Y278 HydrophobicContact CG-CE1 3.72Å; R169-N872 VanDerWaalsContact CD-OD1 3.26Å; R169-N872 WeakPolarHBondContact CD-OD1 3.34Å |
| 170 | R | 89.9 | Confident | 93.4 | Very high | 49 Ų | 49 | 31.6 Ų | 31.6 | 19% | 0.185 | 16% | 0.156 | C | C | . | . | trans | -63.6 | 145.9 | 170.2 | 63.7 | -168.7 | 178.1 | 152.6 | -9.3 | 112.4 | D81 Y172 E275 D870 | D81-R170 IonicContact OD1-NH1 3.36Å; D81-R170 PolarHBondContact OD1-NH1 2.85Å; D81-R170 IonicContact OD2-CZ 2.57Å; D81-R170 IonicContact OD2-NH1 2.66Å; D81-R170 PolarHBondContact OD2-NH1 2.84Å; R170-Y172 HydrophobicContact CG-CE2 3.78Å; R170-Y172 PolarHBondContact NE-OH 3.2Å; R170-Y172 VanDerWaalsContact NE-OH 3.14Å; R170-Y172 WeakPolarHBondContact O-CD2 3.42Å; R170-Y172 VanDerWaalsContact O-CE2 3.29Å; R170-Y172 WeakPolarHBondContact O-CE2 3.41Å; R170-E275 WeakPolarHBondContact CB-OE2 3.26Å; R170-E275 WeakPolarHBondContact CG-OE1 3.37Å; R170-E275 PolarHBondContact N-OE1 3.44Å; R170-E275 PolarHBondContact N-OE2 2.81Å; R170-D870 IonicContact CZ-OD2 3.94Å; R170-D870 IonicContact NH2-OD2 2.65Å; R170-D870 PolarHBondContact NH2-OD2 2.95Å | ||
| 171 | D | 92.3 | Very high | 93.4 | Very high | 13 Ų | 13 | 33.3 Ų | 33.3 | 7% | 0.07 | 16% | 0.163 | C | C | . | . | trans | -82.5 | 151 | 170.2 | -61.1 | -25.2 | 0 | 0 | 0 | 110.3 | Y131 L164 R165 L166 Y173 | Y131-D171 HydrophobicContact CE2-CB 4.42Å; Y131-D171 WeakPolarHBondContact CE2-OD2 3.24Å; Y131-D171 PolarHBondContact OH-OD2 3Å; L164-D171 VanDerWaalsContact O-CA 3.32Å; L164-D171 WeakPolarHBondContact O-CA 3.47Å; R165-D171 WeakPolarHBondContact CA-OD1 3.26Å; R165-D171 WeakPolarHBondContact CD-OD1 3.49Å; R165-D171 IonicContact CZ-OD1 3.66Å; R165-D171 IonicContact CZ-OD2 2.72Å; R165-D171 IonicContact NE-OD1 3.7Å; R165-D171 IonicContact NH1-OD1 3.85Å; R165-D171 PolarHBondContact NH1-OD1 3.1Å; R165-D171 IonicContact NH1-OD2 2.67Å; R165-D171 PolarHBondContact NH1-OD2 3.42Å; L166-D171 PolarHBondContact N-OD1 2.79Å; D171-Y173 HydrophobicContact CB-CE1 4.09Å; D171-Y173 HydrophobicContact CB-CE2 4.44Å | ||
| 172 | Y | 93 | Very high | 93.4 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 0% | 0.004 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 139.1 | 177.9 | -63.3 | -105.1 | 0 | 0 | 0 | 110.1 | Y78 Y115 L117 L164 L166 R170 | Y78-Y172 AromaticContact CE2-CD1 3.92Å; Y78-Y172 HydrophobicContact CE2-CD1 3.92Å; Y115-Y172 HydrophobicContact CD2-CE1 4.05Å; Y115-Y172 HydrophobicContact CE2-CD1 4.01Å; Y115-Y172 AromaticContact CE2-CE1 3.61Å; Y115-Y172 HydrophobicContact CE2-CE1 3.61Å; L117-Y172 HydrophobicContact CD1-CE2 3.9Å; L117-Y172 HydrophobicContact CD2-CD1 4.14Å; L117-Y172 HydrophobicContact CD2-CD2 3.86Å; L117-Y172 HydrophobicContact CD2-CE1 4.1Å; L117-Y172 HydrophobicContact CD2-CE2 3.84Å; L117-Y172 HydrophobicContact CD2-CG 4.04Å; L164-Y172 HydrophobicContact CD2-CD2 4.41Å; L164-Y172 PolarHBondContact N-O 2.69Å; L164-Y172 PolarHBondContact O-N 3.18Å; L166-Y172 HydrophobicContact CD1-CD2 3.84Å; L166-Y172 HydrophobicContact CD1-CE2 3.57Å; L166-Y172 HydrophobicContact CG-CD2 4.49Å; R170-Y172 HydrophobicContact CG-CE2 3.78Å; R170-Y172 PolarHBondContact NE-OH 3.2Å; R170-Y172 VanDerWaalsContact NE-OH 3.14Å; R170-Y172 WeakPolarHBondContact O-CD2 3.42Å; R170-Y172 VanDerWaalsContact O-CE2 3.29Å; R170-Y172 WeakPolarHBondContact O-CE2 3.41Å |
| 173 | Y | 93.5 | Very high | 93.2 | Very high | 33 Ų | 33 | 35.5 Ų | 35.5 | 13% | 0.129 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 125.6 | -173 | -41.5 | -85.6 | 0 | 0 | 0 | 111 | Y78 F79 Y131 P151 Y163 D171 | Y78-Y173 WeakPolarHBondContact CA-O 3.05Å; Y78-Y173 VanDerWaalsContact CD2-O 3.29Å; Y78-Y173 WeakPolarHBondContact CD2-O 3.22Å; F79-Y173 HydrophobicContact CB-CD2 4.28Å; F79-Y173 HydrophobicContact CD1-CD2 4.1Å; F79-Y173 PolarHBondContact N-O 2.97Å; Y131-Y173 HydrophobicContact CE1-CE1 4.1Å; Y131-Y173 HydrophobicContact CE2-CE1 4.23Å; Y131-Y173 AromaticContact CZ-CE1 3.69Å; Y131-Y173 WeakPolarHBondContact OH-CE1 3.32Å; Y131-Y173 PolarHBondContact OH-OH 3.12Å; P151-Y173 HydrophobicContact CG-CD1 3.39Å; P151-Y173 HydrophobicContact CG-CD2 3.65Å; P151-Y173 HydrophobicContact CG-CE1 3.69Å; P151-Y173 HydrophobicContact CG-CE2 3.96Å; P151-Y173 HydrophobicContact CG-CG 3.34Å; Y163-Y173 AromaticContact CD1-CD1 3.64Å; Y163-Y173 HydrophobicContact CD1-CD1 3.64Å; Y163-Y173 HydrophobicContact CD1-CE1 4.01Å; Y163-Y173 HydrophobicContact CE1-CD1 4.18Å; D171-Y173 HydrophobicContact CB-CE1 4.09Å; D171-Y173 HydrophobicContact CB-CE2 4.44Å |
| 174 | F | 94.1 | Very high | 93 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 0% | 0.004 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 154.2 | -178.7 | -50.3 | -87.2 | 0 | 0 | 0 | 110.4 | V76 W77 Y78 V90 P161 V162 L164 F176 F185 | V76-F174 HydrophobicContact CG1-CB 3.89Å; V76-F174 HydrophobicContact CG1-CD1 3.8Å; V76-F174 HydrophobicContact CG1-CG 4.28Å; W77-F174 CarbonylContact O-C 3.59Å; W77-F174 VanDerWaalsContact O-CA 3.28Å; W77-F174 WeakPolarHBondContact O-CA 3.44Å; Y78-F174 HydrophobicContact CD2-CD1 4.05Å; Y78-F174 AromaticContact CD2-CE1 3.82Å; Y78-F174 HydrophobicContact CD2-CE1 3.82Å; Y78-F174 HydrophobicContact CD2-CZ 4.41Å; V90-F174 HydrophobicContact CG2-CE1 4.3Å; P161-F174 CarbonylContact C-O 3.52Å; P161-F174 WeakPolarHBondContact CA-O 3.47Å; V162-F174 HydrophobicContact CB-CB 4.32Å; V162-F174 PolarHBondContact N-O 2.69Å; V162-F174 PolarHBondContact O-N 2.76Å; L164-F174 HydrophobicContact CB-CE2 4.42Å; F174-F176 HydrophobicContact CB-CE2 3.97Å; F174-F176 HydrophobicContact CB-CZ 4.49Å; F174-F185 HydrophobicContact CB-CE1 4.16Å; F174-F185 HydrophobicContact CD1-CE1 4.42Å; F174-F185 HydrophobicContact CD1-CZ 4.01Å; F174-F185 AromaticContact CD2-CE1 3.73Å; F174-F185 HydrophobicContact CD2-CE1 3.73Å; F174-F185 AromaticContact CD2-CZ 3.86Å; F174-F185 HydrophobicContact CD2-CZ 3.86Å; F174-F185 HydrophobicContact CE1-CZ 4.09Å; F174-F185 HydrophobicContact CE2-CE1 4.2Å; F174-F185 AromaticContact CE2-CZ 3.95Å; F174-F185 HydrophobicContact CE2-CZ 3.95Å; F174-F185 AromaticContact CG-CE1 3.85Å; F174-F185 HydrophobicContact CG-CE1 3.85Å; F174-F185 AromaticContact CG-CZ 3.88Å; F174-F185 HydrophobicContact CG-CZ 3.88Å; F174-F185 HydrophobicContact CZ-CZ 4.06Å |
| 175 | C | 93.5 | Very high | 92.9 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.007 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 139.7 | 179.1 | -176.9 | 0 | 0 | 0 | 0 | 111.1 | W77 W85 M156 G158 | W77-C175 HydrophobicContact CB-CB 4.16Å; W77-C175 WeakPolarHBondContact CB-O 3.4Å; W77-C175 PolarHBondContact N-O 2.78Å; W77-C175 PolarHBondContact O-N 2.84Å; W85-C175 HydrophobicContact CE3-CB 4.07Å; W85-C175 HydrophobicContact CH2-CB 3.8Å; W85-C175 HydrophobicContact CZ3-CB 3.53Å; M156-C175 HydrophobicContact CG-CB 4.09Å; M156-C175 WeakPolarHBondContact CG-SG 3.47Å; M156-C175 HydrophobicContact SD-CB 4.37Å; G158-C175 VanDerWaalsContact C-SG 3.58Å; G158-C175 VanDerWaalsContact CA-SG 3.54Å; G158-C175 PolarHBondContact N-SG 2.82Å; G158-C175 VanDerWaalsContact N-SG 3.41Å |
| 176 | F | 94.5 | Very high | 92.9 | Very high | 7 Ų | 7 | 38.6 Ų | 38.6 | 3% | 0.031 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 146.4 | -179.7 | -61.5 | -92.6 | 0 | 0 | 0 | 111.4 | V76 Q159 F160 V162 F174 K181 R182 F185 | V76-F176 HydrophobicContact CB-CE1 4.4Å; V76-F176 HydrophobicContact CB-CZ 4.4Å; V76-F176 HydrophobicContact CG1-CE1 3.83Å; V76-F176 HydrophobicContact CG1-CE2 4.11Å; V76-F176 HydrophobicContact CG1-CZ 3.47Å; V76-F176 VanDerWaalsContact CG1-CZ 3.47Å; V76-F176 HydrophobicContact CG2-CE1 3.89Å; V76-F176 HydrophobicContact CG2-CZ 4.05Å; Q159-F176 PolarHBondContact N-O 3.41Å; F160-F176 HydrophobicContact CB-CB 4.14Å; F160-F176 WeakPolarHBondContact CD2-O 3.32Å; F160-F176 PolarHBondContact N-O 3.31Å; F160-F176 VanDerWaalsContact N-O 3.13Å; F160-F176 PolarHBondContact O-N 3.5Å; V162-F176 HydrophobicContact CB-CE2 4.45Å; V162-F176 HydrophobicContact CG2-CD2 4.01Å; V162-F176 HydrophobicContact CG2-CE2 3.8Å; F174-F176 HydrophobicContact CB-CE2 3.97Å; F174-F176 HydrophobicContact CB-CZ 4.49Å; F176-K181 HydrophobicContact CD1-CB 3.91Å; F176-R182 HydrophobicContact CB-CB 4.03Å; F176-R182 HydrophobicContact CD2-CB 3.95Å; F176-R182 HydrophobicContact CD2-CG 4.34Å; F176-R182 HydrophobicContact CG-CB 3.99Å; F176-F185 HydrophobicContact CE1-CB 3.91Å; F176-F185 HydrophobicContact CE1-CG 4.16Å; F176-F185 HydrophobicContact CE2-CB 4.21Å; F176-F185 AromaticContact CE2-CD1 3.59Å; F176-F185 HydrophobicContact CE2-CD1 3.59Å; F176-F185 HydrophobicContact CE2-CE1 4.17Å; F176-F185 HydrophobicContact CE2-CG 4.02Å; F176-F185 HydrophobicContact CZ-CB 3.51Å; F176-F185 AromaticContact CZ-CD1 3.39Å; F176-F185 HydrophobicContact CZ-CD1 3.39Å; F176-F185 AromaticContact CZ-CD2 3.99Å; F176-F185 HydrophobicContact CZ-CD2 3.99Å; F176-F185 HydrophobicContact CZ-CE1 4.05Å; F176-F185 AromaticContact CZ-CG 3.34Å; F176-F185 HydrophobicContact CZ-CG 3.34Å |
| 177 | K | 92.7 | Very high | 92.8 | Very high | 120 Ų | 120 | 39 Ų | 39 | 52% | 0.522 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -87.8 | -14.6 | 174.3 | -67.4 | 170.8 | -175.6 | 164.2 | 0 | 112.9 | P157 | P157-K177 WeakPolarHBondContact O-CE 3.44Å; P157-K177 WeakPolarHBondContact O-CG 3.43Å |
| 178 | Q | 94.2 | Very high | 92.7 | Very high | 111 Ų | 111 | 39.3 Ų | 39.3 | 52% | 0.519 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -133.3 | 135.3 | -177.6 | -67.2 | 174.1 | -14.2 | 0 | 0 | 109.7 | A180 K181 R182 | Q178-A180 PolarHBondContact O-N 3.11Å; Q178-K181 HydrophobicContact CB-CB 4.4Å; Q178-K181 PolarHBondContact O-N 3.35Å; Q178-R182 PolarHBondContact O-N 2.78Å |
| 179 | E | 93.3 | Very high | 92.8 | Very high | 108 Ų | 108 | 37.9 Ų | 37.9 | 51% | 0.505 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -65.3 | -37.2 | 178.2 | -179.4 | 143.8 | -124.7 | 0 | 0 | 112.7 | F160 K181 R182 A183 | F160-E179 HydrophobicContact CD1-CB 4.12Å; F160-E179 HydrophobicContact CE1-CB 3.82Å; F160-E179 HydrophobicContact CE1-CG 4.43Å; F160-E179 HydrophobicContact CE2-CB 4.3Å; F160-E179 HydrophobicContact CG-CB 4.48Å; F160-E179 HydrophobicContact CZ-CB 3.92Å; E179-K181 PolarHBondContact O-N 2.97Å; E179-R182 CarbonylContact O-C 3.54Å; E179-R182 WeakPolarHBondContact O-CA 3.3Å; E179-R182 WeakPolarHBondContact O-CB 3.36Å; E179-R182 PolarHBondContact O-N 3.45Å; E179-R182 VanDerWaalsContact O-N 3.13Å; E179-R182 IonicContact OE1-CZ 2.85Å; E179-R182 IonicContact OE1-NH2 2.72Å; E179-R182 PolarHBondContact OE1-NH2 3.16Å; E179-A183 PolarHBondContact O-N 3.05Å |
| 180 | A | 91.1 | Very high | 92.8 | Very high | 71 Ų | 71 | 39.1 Ų | 39.1 | 59% | 0.587 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -57.6 | -49.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q178 R182 A183 T184 | Q178-A180 PolarHBondContact O-N 3.11Å; A180-R182 VanDerWaalsContact C-N 3.33Å; A180-R182 PolarHBondContact O-N 2.98Å; A180-A183 PolarHBondContact O-N 2.9Å; A180-A183 VanDerWaalsContact O-N 3.12Å; A180-T184 PolarHBondContact O-N 2.79Å; A180-T184 PolarHBondContact O-OG1 2.86Å |
| 181 | K | 92.4 | Very high | 92.9 | Very high | 81 Ų | 81 | 37.5 Ų | 37.5 | 35% | 0.352 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -59.7 | -39.8 | 174.3 | -79.2 | -178.5 | 169.9 | -82.6 | 0 | 112.4 | D74 F176 Q178 E179 F185 | D74-K181 IonicContact OD1-NZ 2.95Å; D74-K181 PolarHBondContact OD1-NZ 3.16Å; D74-K181 IonicContact OD2-NZ 2.67Å; D74-K181 PolarHBondContact OD2-NZ 3.1Å; F176-K181 HydrophobicContact CD1-CB 3.91Å; Q178-K181 HydrophobicContact CB-CB 4.4Å; Q178-K181 PolarHBondContact O-N 3.35Å; E179-K181 PolarHBondContact O-N 2.97Å; K181-F185 WeakPolarHBondContact O-CB 3.11Å; K181-F185 PolarHBondContact O-N 2.67Å |
| 182 | R | 93.4 | Very high | 93 | Very high | 36 Ų | 36 | 36.9 Ų | 36.9 | 14% | 0.136 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.3 | -48.2 | 172.1 | 173.2 | 172.2 | 71.4 | 169.8 | 2.6 | 111.2 | F160 V162 F176 Q178 E179 A180 F185 I186 | F160-R182 HydrophobicContact CB-CB 4.22Å; V162-R182 HydrophobicContact CG2-CG 3.68Å; F176-R182 HydrophobicContact CB-CB 4.03Å; F176-R182 HydrophobicContact CD2-CB 3.95Å; F176-R182 HydrophobicContact CD2-CG 4.34Å; F176-R182 HydrophobicContact CG-CB 3.99Å; Q178-R182 PolarHBondContact O-N 2.78Å; E179-R182 CarbonylContact O-C 3.54Å; E179-R182 WeakPolarHBondContact O-CA 3.3Å; E179-R182 WeakPolarHBondContact O-CB 3.36Å; E179-R182 PolarHBondContact O-N 3.45Å; E179-R182 VanDerWaalsContact O-N 3.13Å; E179-R182 IonicContact OE1-CZ 2.85Å; E179-R182 IonicContact OE1-NH2 2.72Å; E179-R182 PolarHBondContact OE1-NH2 3.16Å; A180-R182 VanDerWaalsContact C-N 3.33Å; A180-R182 PolarHBondContact O-N 2.98Å; R182-F185 PolarHBondContact O-N 3.01Å; R182-I186 HydrophobicContact CG-CD1 3.55Å; R182-I186 HydrophobicContact CG-CG1 4.14Å; R182-I186 WeakPolarHBondContact O-CB 3.2Å; R182-I186 VanDerWaalsContact O-CG1 3.28Å; R182-I186 WeakPolarHBondContact O-CG1 3.47Å; R182-I186 PolarHBondContact O-N 2.94Å |
| 183 | A | 91.3 | Very high | 93.1 | Very high | 28 Ų | 28 | 37.3 Ų | 37.3 | 23% | 0.231 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.2 | -43.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | E179 A180 I186 S187 | E179-A183 PolarHBondContact O-N 3.05Å; A180-A183 PolarHBondContact O-N 2.9Å; A180-A183 VanDerWaalsContact O-N 3.12Å; A183-I186 PolarHBondContact O-N 3.37Å; A183-S187 PolarHBondContact O-N 3.04Å |
| 184 | T | 91.1 | Very high | 93.2 | Very high | 62 Ų | 62 | 35.8 Ų | 35.8 | 38% | 0.38 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -58 | -49.9 | 172.7 | -56.4 | 0 | 0 | 0 | 0 | 111.6 | Y72 A180 I186 S187 F188 | Y72-T184 HydrophobicContact CD2-CG2 4.2Å; Y72-T184 HydrophobicContact CE2-CG2 4Å; A180-T184 PolarHBondContact O-N 2.79Å; A180-T184 PolarHBondContact O-OG1 2.86Å; T184-I186 VanDerWaalsContact C-N 3.35Å; T184-I186 PolarHBondContact O-N 3.28Å; T184-S187 WeakPolarHBondContact O-CB 3.47Å; T184-S187 PolarHBondContact O-N 3.14Å; T184-F188 HydrophobicContact CG2-CD2 3.93Å; T184-F188 HydrophobicContact CG2-CE2 3.68Å; T184-F188 VanDerWaalsContact O-CD2 3.3Å; T184-F188 WeakPolarHBondContact O-CD2 3.48Å; T184-F188 PolarHBondContact O-N 2.98Å; T184-F188 VanDerWaalsContact O-N 3.17Å |
| 185 | F | 93.6 | Very high | 93.1 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 0% | 0.004 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.8 | -40 | 178.1 | 179.7 | -105.8 | 0 | 0 | 0 | 112.9 | Y72 V90 L98 V162 F174 F176 K181 R182 S187 F188 L189 | Y72-F185 AromaticContact CE1-CD2 3.75Å; Y72-F185 HydrophobicContact CE1-CD2 3.75Å; Y72-F185 HydrophobicContact CE1-CE2 4.38Å; Y72-F185 AromaticContact CZ-CD2 3.96Å; V90-F185 HydrophobicContact CG1-CE2 4.01Å; L98-F185 HydrophobicContact CD1-CE2 4.33Å; L98-F185 HydrophobicContact CD1-CZ 4.35Å; V162-F185 HydrophobicContact CG1-CD1 4.46Å; V162-F185 HydrophobicContact CG1-CE1 4.28Å; V162-F185 HydrophobicContact CG2-CD1 4.41Å; F174-F185 HydrophobicContact CB-CE1 4.16Å; F174-F185 HydrophobicContact CD1-CE1 4.42Å; F174-F185 HydrophobicContact CD1-CZ 4.01Å; F174-F185 AromaticContact CD2-CE1 3.73Å; F174-F185 HydrophobicContact CD2-CE1 3.73Å; F174-F185 AromaticContact CD2-CZ 3.86Å; F174-F185 HydrophobicContact CD2-CZ 3.86Å; F174-F185 HydrophobicContact CE1-CZ 4.09Å; F174-F185 HydrophobicContact CE2-CE1 4.2Å; F174-F185 AromaticContact CE2-CZ 3.95Å; F174-F185 HydrophobicContact CE2-CZ 3.95Å; F174-F185 AromaticContact CG-CE1 3.85Å; F174-F185 HydrophobicContact CG-CE1 3.85Å; F174-F185 AromaticContact CG-CZ 3.88Å; F174-F185 HydrophobicContact CG-CZ 3.88Å; F174-F185 HydrophobicContact CZ-CZ 4.06Å; F176-F185 HydrophobicContact CE1-CB 3.91Å; F176-F185 HydrophobicContact CE1-CG 4.16Å; F176-F185 HydrophobicContact CE2-CB 4.21Å; F176-F185 AromaticContact CE2-CD1 3.59Å; F176-F185 HydrophobicContact CE2-CD1 3.59Å; F176-F185 HydrophobicContact CE2-CE1 4.17Å; F176-F185 HydrophobicContact CE2-CG 4.02Å; F176-F185 HydrophobicContact CZ-CB 3.51Å; F176-F185 AromaticContact CZ-CD1 3.39Å; F176-F185 HydrophobicContact CZ-CD1 3.39Å; F176-F185 AromaticContact CZ-CD2 3.99Å; F176-F185 HydrophobicContact CZ-CD2 3.99Å; F176-F185 HydrophobicContact CZ-CE1 4.05Å; F176-F185 AromaticContact CZ-CG 3.34Å; F176-F185 HydrophobicContact CZ-CG 3.34Å; K181-F185 WeakPolarHBondContact O-CB 3.11Å; K181-F185 PolarHBondContact O-N 2.67Å; R182-F185 PolarHBondContact O-N 3.01Å; F185-S187 VanDerWaalsContact C-N 3.32Å; F185-S187 PolarHBondContact O-N 3.18Å; F185-F188 PolarHBondContact O-N 3.47Å; F185-L189 HydrophobicContact CE1-CD2 3.86Å; F185-L189 HydrophobicContact CZ-CD2 4.23Å; F185-L189 VanDerWaalsContact O-CB 3.24Å; F185-L189 WeakPolarHBondContact O-CB 3.43Å; F185-L189 PolarHBondContact O-N 3.08Å |
| 186 | I | 93.4 | Very high | 93.2 | Very high | 22 Ų | 22 | 38.1 Ų | 38.1 | 11% | 0.113 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.2 | -36.6 | 175.9 | -72.3 | 175.2 | 0 | 0 | 0 | 111.4 | I124 T126 V162 R182 A183 T184 S190 L400 | I124-I186 HydrophobicContact CD1-CG2 4.24Å; I124-I186 HydrophobicContact CG2-CD1 4.45Å; I124-I186 HydrophobicContact CG2-CG1 4.11Å; I124-I186 HydrophobicContact CG2-CG2 4.37Å; T126-I186 HydrophobicContact CG2-CD1 3.48Å; T126-I186 VanDerWaalsContact CG2-CD1 3.48Å; V162-I186 HydrophobicContact CG1-CG1 4.23Å; V162-I186 HydrophobicContact CG2-CD1 4.04Å; V162-I186 HydrophobicContact CG2-CG1 4.01Å; R182-I186 HydrophobicContact CG-CD1 3.55Å; R182-I186 HydrophobicContact CG-CG1 4.14Å; R182-I186 WeakPolarHBondContact O-CB 3.2Å; R182-I186 VanDerWaalsContact O-CG1 3.28Å; R182-I186 WeakPolarHBondContact O-CG1 3.47Å; R182-I186 PolarHBondContact O-N 2.94Å; A183-I186 PolarHBondContact O-N 3.37Å; T184-I186 VanDerWaalsContact C-N 3.35Å; T184-I186 PolarHBondContact O-N 3.28Å; I186-S190 WeakPolarHBondContact O-CB 3.48Å; I186-S190 PolarHBondContact O-N 2.99Å; I186-L400 HydrophobicContact CG2-CD1 4.47Å |
| 187 | S | 91.8 | Very high | 93.1 | Very high | 13 Ų | 13 | 38.2 Ų | 38.2 | 9% | 0.091 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.7 | -60.4 | 172.9 | -165.6 | 0 | 0 | 0 | 0 | 110.1 | A183 T184 F185 L189 S190 D191 | A183-S187 PolarHBondContact O-N 3.04Å; T184-S187 WeakPolarHBondContact O-CB 3.47Å; T184-S187 PolarHBondContact O-N 3.14Å; F185-S187 VanDerWaalsContact C-N 3.32Å; F185-S187 PolarHBondContact O-N 3.18Å; S187-L189 VanDerWaalsContact C-N 3.28Å; S187-L189 PolarHBondContact O-N 3.46Å; S187-S190 CarbonylContact O-C 3.52Å; S187-S190 WeakPolarHBondContact O-CA 3.48Å; S187-S190 VanDerWaalsContact O-CB 3.3Å; S187-S190 WeakPolarHBondContact O-CB 3.37Å; S187-S190 PolarHBondContact O-N 3.33Å; S187-D191 VanDerWaalsContact C-OD2 3.29Å; S187-D191 PolarHBondContact O-N 2.97Å; S187-D191 PolarHBondContact OG-OD2 3.34Å |
| 188 | F | 92.3 | Very high | 93.1 | Very high | 33 Ų | 33 | 33.3 Ų | 33.3 | 15% | 0.145 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.5 | -36.3 | -178.4 | -73 | -69.8 | 0 | 0 | 0 | 113.4 | L71 Y72 V92 T184 F185 D191 C192 | L71-F188 HydrophobicContact CB-CD1 4.29Å; L71-F188 HydrophobicContact CB-CE1 4.07Å; L71-F188 WeakPolarHBondContact O-CE1 3.14Å; L71-F188 WeakPolarHBondContact O-CZ 3.36Å; Y72-F188 AromaticContact CD2-CD2 3.46Å; Y72-F188 HydrophobicContact CD2-CD2 3.46Å; Y72-F188 VanDerWaalsContact CD2-CD2 3.46Å; Y72-F188 AromaticContact CD2-CE2 3.59Å; Y72-F188 HydrophobicContact CD2-CE2 3.59Å; Y72-F188 HydrophobicContact CD2-CG 4.34Å; Y72-F188 HydrophobicContact CE2-CD2 4.26Å; Y72-F188 AromaticContact CG-CD2 3.67Å; Y72-F188 HydrophobicContact CG-CD2 3.67Å; Y72-F188 HydrophobicContact CG-CE2 4.03Å; Y72-F188 HydrophobicContact CG-CG 4.1Å; V92-F188 HydrophobicContact CG2-CB 4.43Å; T184-F188 HydrophobicContact CG2-CD2 3.93Å; T184-F188 HydrophobicContact CG2-CE2 3.68Å; T184-F188 VanDerWaalsContact O-CD2 3.3Å; T184-F188 WeakPolarHBondContact O-CD2 3.48Å; T184-F188 PolarHBondContact O-N 2.98Å; T184-F188 VanDerWaalsContact O-N 3.17Å; F185-F188 PolarHBondContact O-N 3.47Å; F188-D191 PolarHBondContact O-N 3.12Å; F188-C192 PolarHBondContact O-N 2.75Å; F188-C192 PolarHBondContact O-SG 3.11Å |
| 189 | L | 94.3 | Very high | 92.9 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -69.5 | -35.8 | 175.4 | -177.8 | 58.1 | 0 | 0 | 0 | 112.2 | L98 P119 I124 V162 L164 F185 S187 C192 I193 | L98-L189 HydrophobicContact CD1-CD1 4.03Å; P119-L189 HydrophobicContact CB-CD1 4.35Å; P119-L189 HydrophobicContact CG-CD1 4.35Å; I124-L189 HydrophobicContact CD1-CB 3.93Å; I124-L189 HydrophobicContact CD1-CD2 4.01Å; I124-L189 HydrophobicContact CD1-CG 3.75Å; I124-L189 HydrophobicContact CG1-CD2 4.03Å; I124-L189 HydrophobicContact CG1-CG 4.09Å; V162-L189 HydrophobicContact CG1-CD2 4.4Å; L164-L189 HydrophobicContact CB-CD2 4.43Å; L164-L189 HydrophobicContact CD1-CD1 4.35Å; L164-L189 HydrophobicContact CD1-CD2 4.29Å; L164-L189 HydrophobicContact CD2-CD1 3.99Å; L164-L189 HydrophobicContact CD2-CD2 4.41Å; F185-L189 HydrophobicContact CE1-CD2 3.86Å; F185-L189 HydrophobicContact CZ-CD2 4.23Å; F185-L189 VanDerWaalsContact O-CB 3.24Å; F185-L189 WeakPolarHBondContact O-CB 3.43Å; F185-L189 PolarHBondContact O-N 3.08Å; S187-L189 VanDerWaalsContact C-N 3.28Å; S187-L189 PolarHBondContact O-N 3.46Å; L189-C192 PolarHBondContact O-N 2.87Å; L189-I193 HydrophobicContact CG-CD1 4.23Å; L189-I193 WeakPolarHBondContact O-CD1 3.45Å; L189-I193 VanDerWaalsContact O-CG1 3.27Å; L189-I193 WeakPolarHBondContact O-CG1 3.25Å; L189-I193 PolarHBondContact O-N 3.28Å |
| 190 | S | 93 | Very high | 92.9 | Very high | 29 Ų | 29 | 26.9 Ų | 26.9 | 20% | 0.203 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.8 | -42.3 | 172.5 | -173.9 | 0 | 0 | 0 | 0 | 110.7 | I186 S187 C192 I193 K194 | I186-S190 WeakPolarHBondContact O-CB 3.48Å; I186-S190 PolarHBondContact O-N 2.99Å; S187-S190 CarbonylContact O-C 3.52Å; S187-S190 WeakPolarHBondContact O-CA 3.48Å; S187-S190 VanDerWaalsContact O-CB 3.3Å; S187-S190 WeakPolarHBondContact O-CB 3.37Å; S187-S190 PolarHBondContact O-N 3.33Å; S190-C192 PolarHBondContact O-N 3.16Å; S190-I193 PolarHBondContact O-N 3.48Å; S190-I193 VanDerWaalsContact O-N 3.15Å; S190-K194 WeakPolarHBondContact O-CG 3.34Å; S190-K194 PolarHBondContact O-N 2.95Å |
| 191 | D | 92.4 | Very high | 92.8 | Very high | 15 Ų | 15 | 25.7 Ų | 25.7 | 8% | 0.08 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -58.5 | -47.7 | 174.5 | -56.2 | -34.3 | 0 | 0 | 0 | 110.6 | Y96 S187 F188 I193 K194 H195 | Y96-D191 HydrophobicContact CD1-CB 4.47Å; Y96-D191 HydrophobicContact CE1-CB 4.13Å; S187-D191 VanDerWaalsContact C-OD2 3.29Å; S187-D191 PolarHBondContact O-N 2.97Å; S187-D191 PolarHBondContact OG-OD2 3.34Å; F188-D191 PolarHBondContact O-N 3.12Å; D191-I193 PolarHBondContact O-N 3.36Å; D191-K194 VanDerWaalsContact CA-CE 3.5Å; D191-K194 PolarHBondContact O-N 3.25Å; D191-K194 WeakPolarHBondContact OD1-CE 3.48Å; D191-K194 IonicContact OD1-NZ 3.35Å; D191-K194 PolarHBondContact OD1-NZ 3.37Å; D191-H195 WeakPolarHBondContact O-CB 3.32Å; D191-H195 PolarHBondContact O-CD2 2.9Å; D191-H195 VanDerWaalsContact O-CD2 3.28Å; D191-H195 PolarHBondContact O-N 2.91Å |
| 192 | C | 94.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -56.3 | -46 | 171.9 | -67.6 | 0 | 0 | 0 | 0 | 113.2 | V92 P119 F188 L189 S190 Q196 | V92-C192 WeakPolarHBondContact CG1-SG 3.43Å; P119-C192 HydrophobicContact CG-CB 3.58Å; F188-C192 PolarHBondContact O-N 2.75Å; F188-C192 PolarHBondContact O-SG 3.11Å; L189-C192 PolarHBondContact O-N 2.87Å; S190-C192 PolarHBondContact O-N 3.16Å; C192-Q196 WeakPolarHBondContact O-CB 3.32Å; C192-Q196 WeakPolarHBondContact O-CG 3.21Å; C192-Q196 PolarHBondContact O-N 2.99Å |
| 193 | I | 95.3 | Very high | 92.6 | Very high | 11 Ų | 11 | 28.5 Ų | 28.5 | 6% | 0.056 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.2 | -42.8 | 179.8 | -69.2 | 159.3 | 0 | 0 | 0 | 111.5 | P119 G122 I124 L164 L189 S190 D191 N197 | P119-I193 HydrophobicContact CB-CG1 3.93Å; P119-I193 HydrophobicContact CG-CG1 4.18Å; G122-I193 WeakPolarHBondContact O-CG2 3.43Å; I124-I193 HydrophobicContact CD1-CD1 3.87Å; I124-I193 HydrophobicContact CG1-CD1 3.51Å; L164-I193 HydrophobicContact CD1-CD1 3.95Å; L189-I193 HydrophobicContact CG-CD1 4.23Å; L189-I193 WeakPolarHBondContact O-CD1 3.45Å; L189-I193 VanDerWaalsContact O-CG1 3.27Å; L189-I193 WeakPolarHBondContact O-CG1 3.25Å; L189-I193 PolarHBondContact O-N 3.28Å; S190-I193 PolarHBondContact O-N 3.48Å; S190-I193 VanDerWaalsContact O-N 3.15Å; D191-I193 PolarHBondContact O-N 3.36Å; I193-N197 WeakPolarHBondContact O-CB 3.21Å; I193-N197 PolarHBondContact O-N 2.91Å; I193-N197 PolarHBondContact O-ND2 2.67Å; I193-N197 PolarHBondContact O-OD1 3.39Å |
| 194 | K | 94 | Very high | 92.5 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 0% | 0.004 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.6 | -55.3 | 178 | -72.9 | 177.9 | -63.9 | 169.9 | 0 | 110.7 | S190 D191 N197 Q198 H430 Q433 I434 | S190-K194 WeakPolarHBondContact O-CG 3.34Å; S190-K194 PolarHBondContact O-N 2.95Å; D191-K194 VanDerWaalsContact CA-CE 3.5Å; D191-K194 PolarHBondContact O-N 3.25Å; D191-K194 WeakPolarHBondContact OD1-CE 3.48Å; D191-K194 IonicContact OD1-NZ 3.35Å; D191-K194 PolarHBondContact OD1-NZ 3.37Å; K194-N197 PolarHBondContact O-N 3.33Å; K194-Q198 PolarHBondContact O-N 2.64Å; K194-Q198 VanDerWaalsContact O-N 3.15Å; K194-H430 HydrophobicContact CB-CB 4.47Å; K194-H430 HydrophobicContact CG-CB 4.32Å; K194-Q433 HydrophobicContact CD-CB 3.68Å; K194-I434 HydrophobicContact CB-CD1 4.12Å; K194-I434 HydrophobicContact CB-CG1 4.07Å |
| 195 | H | 93.4 | Very high | 92.5 | Very high | 15 Ų | 15 | 37 Ų | 37 | 7% | 0.069 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64 | -47.1 | -177.5 | -81.5 | -76.2 | 0 | 0 | 0 | 112.3 | Y96 D191 N197 Q198 D199 | Y96-H195 HydrophobicContact CD1-CB 4.03Å; Y96-H195 AromaticContact CD1-CD2 3.73Å; Y96-H195 AromaticContact CD1-CG 3.98Å; Y96-H195 HydrophobicContact CD2-CB 3.5Å; Y96-H195 AromaticContact CD2-CD2 3.79Å; Y96-H195 AromaticContact CD2-CG 3.37Å; Y96-H195 AromaticContact CD2-ND1 3.75Å; Y96-H195 AromaticContact CE1-CD2 3.45Å; Y96-H195 VanDerWaalsContact CE1-CD2 3.45Å; Y96-H195 WeakPolarHBondContact CE1-CD2 3.38Å; Y96-H195 AromaticContact CE1-NE2 3.98Å; Y96-H195 HydrophobicContact CE2-CB 4.12Å; Y96-H195 AromaticContact CE2-CD2 3.5Å; Y96-H195 VanDerWaalsContact CE2-CD2 3.5Å; Y96-H195 WeakPolarHBondContact CE2-CD2 3.4Å; Y96-H195 AromaticContact CE2-CE1 3.65Å; Y96-H195 AromaticContact CE2-CG 3.45Å; Y96-H195 VanDerWaalsContact CE2-CG 3.45Å; Y96-H195 AromaticContact CE2-ND1 3.55Å; Y96-H195 AromaticContact CE2-NE2 3.66Å; Y96-H195 HydrophobicContact CG-CB 3.44Å; Y96-H195 VanDerWaalsContact CG-CB 3.44Å; Y96-H195 AromaticContact CG-CD2 3.89Å; Y96-H195 AromaticContact CG-CG 3.65Å; Y96-H195 AromaticContact CZ-CD2 3.31Å; Y96-H195 AromaticContact CZ-CE1 3.9Å; Y96-H195 AromaticContact CZ-CG 3.79Å; Y96-H195 AromaticContact CZ-NE2 3.42Å; Y96-H195 PolarHBondContact OH-NE2 3.49Å; D191-H195 WeakPolarHBondContact O-CB 3.32Å; D191-H195 PolarHBondContact O-CD2 2.9Å; D191-H195 VanDerWaalsContact O-CD2 3.28Å; D191-H195 PolarHBondContact O-N 2.91Å; H195-N197 PolarHBondContact O-N 3.12Å; H195-Q198 PolarHBondContact O-N 3.44Å; H195-D199 WeakPolarHBondContact CB-OD2 3.27Å; H195-D199 IonicContact CE1-OD1 2.65Å; H195-D199 IonicContact CG-OD1 3.72Å; H195-D199 IonicContact CG-OD2 3.71Å; H195-D199 VanDerWaalsContact ND1-CG 3.26Å; H195-D199 IonicContact ND1-OD1 2.84Å; H195-D199 PolarHBondContact ND1-OD1 2.92Å; H195-D199 IonicContact ND1-OD2 3.31Å; H195-D199 PolarHBondContact ND1-OD2 2.89Å; H195-D199 WeakPolarHBondContact O-CB 3.45Å; H195-D199 PolarHBondContact O-N 2.86Å |
| 196 | Q | 93.9 | Very high | 92.5 | Very high | 36 Ų | 36 | 37.8 Ų | 37.8 | 17% | 0.168 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.9 | -9 | 176.9 | -64.6 | -63.7 | -27.1 | 0 | 0 | 114.6 | N95 Y96 T120 C192 G233 | N95-Q196 PolarHBondContact O-NE2 3.47Å; Y96-Q196 WeakPolarHBondContact O-CG 3.49Å; Y96-Q196 PolarHBondContact O-NE2 3.34Å; T120-Q196 PolarHBondContact OG1-O 2.99Å; C192-Q196 WeakPolarHBondContact O-CB 3.32Å; C192-Q196 WeakPolarHBondContact O-CG 3.21Å; C192-Q196 PolarHBondContact O-N 2.99Å; Q196-G233 WeakPolarHBondContact O-CA 3.27Å; Q196-G233 PolarHBondContact O-N 3.24Å |
| 197 | N | 93.7 | Very high | 92.6 | Very high | 8 Ų | 8 | 39 Ų | 39 | 4% | 0.043 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -99.4 | -24.5 | 172.3 | -71.9 | -0.2 | 0 | 0 | 0 | 113.5 | T120 G121 I193 K194 H195 Q201 I232 H430 | T120-N197 WeakPolarHBondContact CA-OD1 3.33Å; G121-N197 PolarHBondContact N-OD1 3.34Å; I193-N197 WeakPolarHBondContact O-CB 3.21Å; I193-N197 PolarHBondContact O-N 2.91Å; I193-N197 PolarHBondContact O-ND2 2.67Å; I193-N197 PolarHBondContact O-OD1 3.39Å; K194-N197 PolarHBondContact O-N 3.33Å; H195-N197 PolarHBondContact O-N 3.12Å; N197-Q201 PolarHBondContact O-NE2 3.19Å; N197-I232 HydrophobicContact CB-CB 4.29Å; N197-I232 HydrophobicContact CB-CG2 3.82Å; N197-H430 PolarHBondContact ND2-CE1 3.05Å |
| 198 | Q | 91.9 | Very high | 92.8 | Very high | 17 Ų | 17 | 38.6 Ų | 38.6 | 8% | 0.079 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -119.6 | -32 | -167.2 | -68.3 | -61.9 | -80.5 | 0 | 0 | 114.7 | K194 H195 F200 Q201 K202 A427 H430 I434 | K194-Q198 PolarHBondContact O-N 2.64Å; K194-Q198 VanDerWaalsContact O-N 3.15Å; H195-Q198 PolarHBondContact O-N 3.44Å; Q198-F200 VanDerWaalsContact C-N 3.28Å; Q198-F200 PolarHBondContact O-N 3.36Å; Q198-Q201 WeakPolarHBondContact O-CA 3.24Å; Q198-Q201 WeakPolarHBondContact O-CB 3.34Å; Q198-Q201 PolarHBondContact O-N 3.31Å; Q198-K202 PolarHBondContact O-N 3.34Å; Q198-A427 PolarHBondContact OE1-O 3.22Å; Q198-H430 HydrophobicContact CG-CB 3.64Å; Q198-I434 HydrophobicContact CB-CD1 3.68Å; Q198-I434 HydrophobicContact CG-CD1 4.05Å |
| 199 | D | 91.1 | Very high | 93 | Very high | 57 Ų | 57 | 41.1 Ų | 41.1 | 31% | 0.305 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -33.2 | -170.5 | -69.4 | -0.5 | 0 | 0 | 0 | 112.6 | H195 K202 K203 | H195-D199 WeakPolarHBondContact CB-OD2 3.27Å; H195-D199 IonicContact CE1-OD1 2.65Å; H195-D199 IonicContact CG-OD1 3.72Å; H195-D199 IonicContact CG-OD2 3.71Å; H195-D199 VanDerWaalsContact ND1-CG 3.26Å; H195-D199 IonicContact ND1-OD1 2.84Å; H195-D199 PolarHBondContact ND1-OD1 2.92Å; H195-D199 IonicContact ND1-OD2 3.31Å; H195-D199 PolarHBondContact ND1-OD2 2.89Å; H195-D199 WeakPolarHBondContact O-CB 3.45Å; H195-D199 PolarHBondContact O-N 2.86Å; D199-K202 PolarHBondContact O-N 2.89Å; D199-K203 WeakPolarHBondContact O-CG 3.49Å; D199-K203 PolarHBondContact O-N 3.04Å |
| 200 | F | 91.9 | Very high | 93.1 | Very high | 28 Ų | 28 | 41.1 Ų | 41.1 | 12% | 0.123 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -46 | 170.3 | -179 | -99 | 0 | 0 | 0 | 111.4 | Q198 K202 K203 V208 F211 L212 G233 D235 | Q198-F200 VanDerWaalsContact C-N 3.28Å; Q198-F200 PolarHBondContact O-N 3.36Å; F200-K202 VanDerWaalsContact C-N 3.27Å; F200-K202 PolarHBondContact O-N 3.09Å; F200-K203 WeakPolarHBondContact O-CB 3.49Å; F200-K203 PolarHBondContact O-N 3.15Å; F200-K203 VanDerWaalsContact O-N 3.13Å; F200-V208 HydrophobicContact CD1-CG1 4.31Å; F200-V208 HydrophobicContact CD2-CG2 4.39Å; F200-V208 HydrophobicContact CE1-CG1 3.96Å; F200-V208 HydrophobicContact CE2-CG1 4.32Å; F200-V208 HydrophobicContact CE2-CG2 3.75Å; F200-V208 HydrophobicContact CZ-CB 4.45Å; F200-V208 HydrophobicContact CZ-CG1 3.96Å; F200-V208 HydrophobicContact CZ-CG2 3.94Å; F200-V208 WeakPolarHBondContact O-CG1 3.4Å; F200-F211 AromaticContact CE1-CD1 3.9Å; F200-F211 HydrophobicContact CE1-CD1 3.9Å; F200-F211 HydrophobicContact CE1-CE1 4.25Å; F200-F211 HydrophobicContact CZ-CD1 4.07Å; F200-L212 HydrophobicContact CD1-CD2 4.45Å; F200-L212 HydrophobicContact CE1-CD2 4.18Å; F200-G233 VanDerWaalsContact CB-O 3.25Å; F200-G233 WeakPolarHBondContact CB-O 3.48Å; F200-G233 WeakPolarHBondContact CD1-O 3.42Å; F200-G233 WeakPolarHBondContact CG-O 3.35Å; F200-D235 HydrophobicContact CE2-CB 4.48Å; F200-D235 HydrophobicContact CZ-CB 3.88Å; F200-D235 VanDerWaalsContact CZ-N 3.35Å |
| 201 | Q | 90.5 | Very high | 93.4 | Very high | 46 Ų | 46 | 39.8 Ų | 39.8 | 22% | 0.215 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -30.2 | -178.8 | -61.4 | -175.7 | 72.8 | 0 | 0 | 112.5 | N197 Q198 K203 L212 L231 | N197-Q201 PolarHBondContact O-NE2 3.19Å; Q198-Q201 WeakPolarHBondContact O-CA 3.24Å; Q198-Q201 WeakPolarHBondContact O-CB 3.34Å; Q198-Q201 PolarHBondContact O-N 3.31Å; Q201-K203 VanDerWaalsContact C-N 3.3Å; Q201-K203 PolarHBondContact O-N 3.27Å; Q201-L212 HydrophobicContact CB-CD1 4.44Å; Q201-L212 HydrophobicContact CG-CD2 4.13Å; Q201-L231 PolarHBondContact NE2-O 3.46Å |
| 202 | K | 88.6 | Confident | 93.6 | Very high | 93 Ų | 93 | 40.4 Ų | 40.4 | 40% | 0.404 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -7.6 | 175.8 | -68.9 | -175.1 | 170.3 | -172 | 0 | 114.1 | Q198 D199 F200 K204 D435 | Q198-K202 PolarHBondContact O-N 3.34Å; D199-K202 PolarHBondContact O-N 2.89Å; F200-K202 VanDerWaalsContact C-N 3.27Å; F200-K202 PolarHBondContact O-N 3.09Å; K202-K204 PolarHBondContact O-N 2.84Å; K202-D435 IonicContact NZ-OD1 2.7Å; K202-D435 PolarHBondContact NZ-OD1 2.98Å |
| 203 | K | 91.1 | Very high | 93.7 | Very high | 82 Ų | 82 | 42.5 Ų | 42.5 | 36% | 0.357 | 20% | 0.202 | S | C | . | . | trans | -72.8 | 118 | -179.8 | -65.9 | -167.5 | 176.3 | -166.8 | 0 | 112.2 | D199 F200 Q201 T205 V208 Q209 | D199-K203 WeakPolarHBondContact O-CG 3.49Å; D199-K203 PolarHBondContact O-N 3.04Å; F200-K203 WeakPolarHBondContact O-CB 3.49Å; F200-K203 PolarHBondContact O-N 3.15Å; F200-K203 VanDerWaalsContact O-N 3.13Å; Q201-K203 VanDerWaalsContact C-N 3.3Å; Q201-K203 PolarHBondContact O-N 3.27Å; K203-T205 PolarHBondContact O-N 3.1Å; K203-V208 HydrophobicContact CB-CB 4.32Å; K203-V208 HydrophobicContact CB-CG1 4.22Å; K203-V208 HydrophobicContact CB-CG2 4.22Å; K203-Q209 PolarHBondContact O-NE2 3.34Å | ||
| 204 | K | 89.3 | Confident | 93.9 | Very high | 195 Ų | 195 | 42 Ų | 42 | 85% | 0.848 | 20% | 0.2 | S | C | * | . | trans | -76.3 | 2.5 | 176.3 | -62.1 | -171.3 | 177 | -173.4 | 0 | 114.9 | K202 | K202-K204 PolarHBondContact O-N 2.84Š| ||
| 205 | T | 92 | Very high | 94 | Very high | 75 Ų | 75 | 42 Ų | 42 | 46% | 0.46 | 20% | 0.2 | S | C | . | . | trans | -63.8 | 135.2 | 177.5 | 48.1 | 0 | 0 | 0 | 0 | 112 | K203 E207 V208 Q209 | K203-T205 PolarHBondContact O-N 3.1Å; T205-E207 VanDerWaalsContact C-N 3.31Å; T205-E207 PolarHBondContact O-N 2.66Å; T205-V208 PolarHBondContact O-N 2.85Å; T205-V208 VanDerWaalsContact OG1-CG2 3.32Å; T205-V208 WeakPolarHBondContact OG1-CG2 3.27Å; T205-Q209 PolarHBondContact O-N 3.42Å; T205-Q209 VanDerWaalsContact O-N 3.16Å | ||
| 206 | C | 93.1 | Very high | 94.2 | Very high | 16 Ų | 16 | 44.1 Ų | 44.1 | 11% | 0.108 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -45.5 | -48.2 | -179.8 | 177.7 | 0 | 0 | 0 | 0 | 113.9 | R40 V208 Q209 A210 | R40-C206 PolarHBondContact N-SG 2.6Å; R40-C206 VanDerWaalsContact N-SG 3.4Å; C206-V208 PolarHBondContact O-N 3.01Å; C206-V208 VanDerWaalsContact O-N 3.15Å; C206-Q209 PolarHBondContact O-N 3.27Å; C206-A210 VanDerWaalsContact O-CB 3.25Å; C206-A210 WeakPolarHBondContact O-CB 3.43Å; C206-A210 PolarHBondContact O-N 2.96Å |
| 207 | E | 95.4 | Very high | 94.3 | Very high | 47 Ų | 47 | 42.7 Ų | 42.7 | 22% | 0.22 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -53.9 | -37.7 | -179.6 | -60.1 | -166.4 | 173.2 | 0 | 0 | 113.3 | Y32 F36 T205 F211 K293 K297 | Y32-E207 PolarHBondContact OH-O 2.96Å; Y32-E207 VanDerWaalsContact OH-O 3.11Å; F36-E207 HydrophobicContact CE2-CB 4.3Å; F36-E207 HydrophobicContact CE2-CG 3.96Å; F36-E207 HydrophobicContact CZ-CG 4.24Å; T205-E207 VanDerWaalsContact C-N 3.31Å; T205-E207 PolarHBondContact O-N 2.66Å; E207-F211 VanDerWaalsContact O-CB 3.27Å; E207-F211 WeakPolarHBondContact O-CB 3.26Å; E207-F211 PolarHBondContact O-N 3.25Å; E207-F211 VanDerWaalsContact O-N 3.1Å; E207-K293 WeakPolarHBondContact OE2-CD 3.35Å; E207-K293 WeakPolarHBondContact OE2-CE 3.11Å; E207-K293 IonicContact OE2-NZ 2.74Å; E207-K293 PolarHBondContact OE2-NZ 3.45Å; E207-K297 WeakPolarHBondContact OE1-CE 3.44Å; E207-K297 IonicContact OE1-NZ 2.79Å; E207-K297 PolarHBondContact OE1-NZ 2.79Å |
| 208 | V | 96.8 | Very high | 94.4 | Very high | 6 Ų | 6 | 42.4 Ų | 42.4 | 4% | 0.036 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -84.2 | -43.3 | -174.1 | 175.6 | 0 | 0 | 0 | 0 | 110.8 | F200 K203 T205 C206 A210 F211 L212 | F200-V208 HydrophobicContact CD1-CG1 4.31Å; F200-V208 HydrophobicContact CD2-CG2 4.39Å; F200-V208 HydrophobicContact CE1-CG1 3.96Å; F200-V208 HydrophobicContact CE2-CG1 4.32Å; F200-V208 HydrophobicContact CE2-CG2 3.75Å; F200-V208 HydrophobicContact CZ-CB 4.45Å; F200-V208 HydrophobicContact CZ-CG1 3.96Å; F200-V208 HydrophobicContact CZ-CG2 3.94Å; F200-V208 WeakPolarHBondContact O-CG1 3.4Å; K203-V208 HydrophobicContact CB-CB 4.32Å; K203-V208 HydrophobicContact CB-CG1 4.22Å; K203-V208 HydrophobicContact CB-CG2 4.22Å; T205-V208 PolarHBondContact O-N 2.85Å; T205-V208 VanDerWaalsContact OG1-CG2 3.32Å; T205-V208 WeakPolarHBondContact OG1-CG2 3.27Å; C206-V208 PolarHBondContact O-N 3.01Å; C206-V208 VanDerWaalsContact O-N 3.15Å; V208-A210 VanDerWaalsContact C-N 3.3Å; V208-A210 PolarHBondContact O-N 2.94Å; V208-F211 PolarHBondContact O-N 3.33Å; V208-F211 VanDerWaalsContact O-N 3.09Å; V208-L212 HydrophobicContact CG1-CD1 3.78Å; V208-L212 HydrophobicContact CG1-CG 4.13Å; V208-L212 VanDerWaalsContact O-CG 3.3Å; V208-L212 WeakPolarHBondContact O-CG 3.49Å; V208-L212 PolarHBondContact O-N 2.86Å |
| 209 | Q | 96.3 | Very high | 94.6 | Very high | 86 Ų | 86 | 42.2 Ų | 42.2 | 40% | 0.402 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.3 | -42.6 | 175.3 | -64.6 | -58.8 | -51.4 | 0 | 0 | 110.7 | K203 T205 C206 F211 K213 | K203-Q209 PolarHBondContact O-NE2 3.34Å; T205-Q209 PolarHBondContact O-N 3.42Å; T205-Q209 VanDerWaalsContact O-N 3.16Å; C206-Q209 PolarHBondContact O-N 3.27Å; Q209-F211 PolarHBondContact O-N 2.89Å; Q209-K213 VanDerWaalsContact O-CB 3.25Å; Q209-K213 WeakPolarHBondContact O-CB 3.3Å; Q209-K213 PolarHBondContact O-N 3.38Å; Q209-K213 VanDerWaalsContact O-N 3.1Å |
| 210 | A | 97.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.008 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.7 | -44.4 | 170 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y32 Q35 F36 A39 C206 V208 A214 | Y32-A210 HydrophobicContact CD2-CB 4.43Å; Y32-A210 HydrophobicContact CE2-CB 3.94Å; Q35-A210 HydrophobicContact CB-CB 4.36Å; F36-A210 HydrophobicContact CB-CB 4.17Å; F36-A210 HydrophobicContact CD2-CB 4.22Å; F36-A210 HydrophobicContact CG-CB 4.45Å; A39-A210 HydrophobicContact CB-CB 3.98Å; C206-A210 VanDerWaalsContact O-CB 3.25Å; C206-A210 WeakPolarHBondContact O-CB 3.43Å; C206-A210 PolarHBondContact O-N 2.96Å; V208-A210 VanDerWaalsContact C-N 3.3Å; V208-A210 PolarHBondContact O-N 2.94Å; A210-A214 VanDerWaalsContact O-CB 3.26Å; A210-A214 WeakPolarHBondContact O-CB 3.37Å; A210-A214 PolarHBondContact O-N 3.47Å |
| 211 | F | 98.4 | Very high | 94.8 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 0% | 0.004 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.6 | -52 | -177.8 | 178.7 | -95.6 | 0 | 0 | 0 | 112.1 | F28 Y32 F200 E207 V208 Q209 K213 A214 I215 D235 V238 M239 | F28-F211 HydrophobicContact CE1-CD2 4.12Å; F28-F211 AromaticContact CE1-CE2 4Å; F28-F211 HydrophobicContact CE1-CE2 4Å; F28-F211 AromaticContact CZ-CD2 3.65Å; F28-F211 HydrophobicContact CZ-CD2 3.65Å; F28-F211 AromaticContact CZ-CE2 3.63Å; F28-F211 HydrophobicContact CZ-CE2 3.63Å; Y32-F211 HydrophobicContact CD2-CB 4.29Å; Y32-F211 HydrophobicContact CD2-CD2 4.42Å; Y32-F211 HydrophobicContact CE2-CB 3.72Å; Y32-F211 HydrophobicContact CE2-CD2 4.3Å; F200-F211 AromaticContact CE1-CD1 3.9Å; F200-F211 HydrophobicContact CE1-CD1 3.9Å; F200-F211 HydrophobicContact CE1-CE1 4.25Å; F200-F211 HydrophobicContact CZ-CD1 4.07Å; E207-F211 VanDerWaalsContact O-CB 3.27Å; E207-F211 WeakPolarHBondContact O-CB 3.26Å; E207-F211 PolarHBondContact O-N 3.25Å; E207-F211 VanDerWaalsContact O-N 3.1Å; V208-F211 PolarHBondContact O-N 3.33Å; V208-F211 VanDerWaalsContact O-N 3.09Å; Q209-F211 PolarHBondContact O-N 2.89Å; F211-K213 VanDerWaalsContact C-N 3.26Å; F211-K213 PolarHBondContact O-N 3.26Å; F211-A214 PolarHBondContact O-N 2.98Å; F211-I215 HydrophobicContact CD1-CG1 4.12Å; F211-I215 HydrophobicContact CD2-CG1 4.44Å; F211-I215 HydrophobicContact CE1-CD1 4.24Å; F211-I215 HydrophobicContact CE1-CG1 3.62Å; F211-I215 HydrophobicContact CE2-CD1 4.01Å; F211-I215 HydrophobicContact CE2-CG1 3.96Å; F211-I215 HydrophobicContact CG-CG1 4.5Å; F211-I215 HydrophobicContact CZ-CD1 3.64Å; F211-I215 HydrophobicContact CZ-CG1 3.52Å; F211-I215 VanDerWaalsContact O-CG1 3.32Å; F211-I215 WeakPolarHBondContact O-CG1 2.95Å; F211-I215 PolarHBondContact O-N 3Å; F211-D235 HydrophobicContact CD1-CB 4.03Å; F211-D235 HydrophobicContact CD2-CB 3.77Å; F211-D235 HydrophobicContact CE1-CB 3.9Å; F211-D235 HydrophobicContact CE2-CB 3.64Å; F211-D235 HydrophobicContact CG-CB 3.97Å; F211-D235 VanDerWaalsContact CZ-CA 3.44Å; F211-D235 HydrophobicContact CZ-CB 3.71Å; F211-D235 WeakPolarHBondContact CZ-O 3.47Å; F211-V238 HydrophobicContact CE1-CB 3.82Å; F211-V238 HydrophobicContact CE1-CG1 3.76Å; F211-V238 HydrophobicContact CE1-CG2 4.3Å; F211-V238 HydrophobicContact CZ-CB 3.87Å; F211-V238 HydrophobicContact CZ-CG1 3.84Å; F211-M239 HydrophobicContact CE2-CG 3.85Å; F211-M239 HydrophobicContact CZ-CG 3.98Å |
| 212 | L | 96.9 | Very high | 94.9 | Very high | 28 Ų | 28 | 44.9 Ų | 44.9 | 15% | 0.147 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.4 | -40.9 | 179.1 | -63.7 | 169.6 | 0 | 0 | 0 | 110.6 | F200 Q201 V208 I215 Q216 L231 | F200-L212 HydrophobicContact CD1-CD2 4.45Å; F200-L212 HydrophobicContact CE1-CD2 4.18Å; Q201-L212 HydrophobicContact CB-CD1 4.44Å; Q201-L212 HydrophobicContact CG-CD2 4.13Å; V208-L212 HydrophobicContact CG1-CD1 3.78Å; V208-L212 HydrophobicContact CG1-CG 4.13Å; V208-L212 VanDerWaalsContact O-CG 3.3Å; V208-L212 WeakPolarHBondContact O-CG 3.49Å; V208-L212 PolarHBondContact O-N 2.86Å; L212-I215 PolarHBondContact O-N 3.48Å; L212-Q216 WeakPolarHBondContact O-CB 3.24Å; L212-Q216 PolarHBondContact O-N 2.83Å; L212-L231 HydrophobicContact CD2-CD1 4.05Å; L212-L231 HydrophobicContact CD2-CG 4.47Å |
| 213 | K | 97.1 | Very high | 95 | Very high | 44 Ų | 44 | 42.8 Ų | 42.8 | 19% | 0.191 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68 | -41 | 177.8 | -169.7 | 59.9 | 179.8 | 179.6 | 0 | 112.9 | Q35 Q209 F211 Q216 L217 E535 | Q35-K213 HydrophobicContact CB-CB 4.45Å; Q35-K213 HydrophobicContact CG-CB 4.28Å; Q35-K213 HydrophobicContact CG-CG 4.02Å; Q209-K213 VanDerWaalsContact O-CB 3.25Å; Q209-K213 WeakPolarHBondContact O-CB 3.3Å; Q209-K213 PolarHBondContact O-N 3.38Å; Q209-K213 VanDerWaalsContact O-N 3.1Å; F211-K213 VanDerWaalsContact C-N 3.26Å; F211-K213 PolarHBondContact O-N 3.26Å; K213-Q216 WeakPolarHBondContact O-CB 3.34Å; K213-Q216 PolarHBondContact O-N 3.2Å; K213-L217 HydrophobicContact CG-CD1 4.35Å; K213-L217 WeakPolarHBondContact O-CG 3.26Å; K213-L217 PolarHBondContact O-N 3.13Å; K213-L217 VanDerWaalsContact O-N 3.12Å; K213-E535 IonicContact NZ-OE1 2.84Å; K213-E535 IonicContact NZ-OE2 2.89Å; K213-E535 PolarHBondContact NZ-OE2 3.1Å |
| 214 | A | 98.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.6 | -45.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | F28 Y32 Q35 A210 F211 Q216 L217 F218 | F28-A214 HydrophobicContact CE2-CB 3.56Å; F28-A214 HydrophobicContact CZ-CB 3.8Å; Y32-A214 HydrophobicContact CD2-CB 4.25Å; Q35-A214 HydrophobicContact CB-CB 4.36Å; Q35-A214 HydrophobicContact CG-CB 4.29Å; A210-A214 VanDerWaalsContact O-CB 3.26Å; A210-A214 WeakPolarHBondContact O-CB 3.37Å; A210-A214 PolarHBondContact O-N 3.47Å; F211-A214 PolarHBondContact O-N 2.98Å; A214-Q216 VanDerWaalsContact C-N 3.29Å; A214-Q216 PolarHBondContact O-N 3.08Å; A214-L217 PolarHBondContact O-N 3.1Å; A214-F218 WeakPolarHBondContact O-CB 3.19Å; A214-F218 PolarHBondContact O-N 3.19Å |
| 215 | I | 97.6 | Very high | 95.2 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.2 | -39.1 | 176.4 | -66.2 | -72 | 0 | 0 | 0 | 111.1 | F28 F211 L212 R219 W228 L231 V238 M239 L242 | F28-I215 HydrophobicContact CD2-CD1 4Å; F28-I215 HydrophobicContact CE2-CD1 3.46Å; F28-I215 VanDerWaalsContact CE2-CD1 3.46Å; F28-I215 HydrophobicContact CE2-CG1 3.77Å; F28-I215 HydrophobicContact CZ-CD1 4Å; F28-I215 HydrophobicContact CZ-CG1 4.18Å; F211-I215 HydrophobicContact CD1-CG1 4.12Å; F211-I215 HydrophobicContact CD2-CG1 4.44Å; F211-I215 HydrophobicContact CE1-CD1 4.24Å; F211-I215 HydrophobicContact CE1-CG1 3.62Å; F211-I215 HydrophobicContact CE2-CD1 4.01Å; F211-I215 HydrophobicContact CE2-CG1 3.96Å; F211-I215 HydrophobicContact CG-CG1 4.5Å; F211-I215 HydrophobicContact CZ-CD1 3.64Å; F211-I215 HydrophobicContact CZ-CG1 3.52Å; F211-I215 VanDerWaalsContact O-CG1 3.32Å; F211-I215 WeakPolarHBondContact O-CG1 2.95Å; F211-I215 PolarHBondContact O-N 3Å; L212-I215 PolarHBondContact O-N 3.48Å; I215-R219 WeakPolarHBondContact O-CB 3.43Å; I215-R219 VanDerWaalsContact O-CG 3.29Å; I215-R219 WeakPolarHBondContact O-CG 3.39Å; I215-R219 PolarHBondContact O-N 3.01Å; I215-W228 HydrophobicContact CG2-CZ3 4.3Å; I215-L231 HydrophobicContact CG2-CD1 4Å; I215-V238 HydrophobicContact CD1-CG1 4.07Å; I215-V238 HydrophobicContact CG1-CG1 4.16Å; I215-V238 HydrophobicContact CG2-CG1 4.28Å; I215-M239 HydrophobicContact CD1-CG 4.37Å; I215-M239 HydrophobicContact CD1-SD 3.6Å; I215-M239 VanDerWaalsContact CD1-SD 3.6Å; I215-L242 HydrophobicContact CD1-CD1 3.75Å |
| 216 | Q | 95.9 | Very high | 94.9 | Very high | 59 Ų | 59 | 34.1 Ų | 34.1 | 28% | 0.276 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -60.2 | -51.2 | 177.1 | -163.4 | -153.3 | 9.6 | 0 | 0 | 111.6 | L212 K213 A214 Q220 E535 | L212-Q216 WeakPolarHBondContact O-CB 3.24Å; L212-Q216 PolarHBondContact O-N 2.83Å; K213-Q216 WeakPolarHBondContact O-CB 3.34Å; K213-Q216 PolarHBondContact O-N 3.2Å; A214-Q216 VanDerWaalsContact C-N 3.29Å; A214-Q216 PolarHBondContact O-N 3.08Å; Q216-Q220 WeakPolarHBondContact O-CB 3.24Å; Q216-Q220 VanDerWaalsContact O-CD 3.3Å; Q216-Q220 WeakPolarHBondContact O-CG 3.43Å; Q216-Q220 PolarHBondContact O-N 3.35Å; Q216-E535 PolarHBondContact NE2-OE1 3.26Å; Q216-E535 PolarHBondContact OE1-OE2 3.23Å |
| 217 | L | 96 | Very high | 94.5 | Very high | 5 Ų | 5 | 34.8 Ų | 34.8 | 3% | 0.026 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.1 | -47.1 | -178.9 | -66.6 | 166.9 | 0 | 0 | 0 | 111.6 | Y31 Q35 K213 A214 R219 Q220 D221 E531 | Y31-L217 HydrophobicContact CD1-CB 3.93Å; Y31-L217 HydrophobicContact CE1-CB 4.39Å; Q35-L217 HydrophobicContact CG-CD1 4.02Å; K213-L217 HydrophobicContact CG-CD1 4.35Å; K213-L217 WeakPolarHBondContact O-CG 3.26Å; K213-L217 PolarHBondContact O-N 3.13Å; K213-L217 VanDerWaalsContact O-N 3.12Å; A214-L217 PolarHBondContact O-N 3.1Å; L217-R219 PolarHBondContact O-N 2.97Å; L217-R219 VanDerWaalsContact O-N 3.15Å; L217-Q220 WeakPolarHBondContact O-CA 3.4Å; L217-Q220 WeakPolarHBondContact O-CB 3.32Å; L217-Q220 PolarHBondContact O-N 3.11Å; L217-D221 PolarHBondContact O-N 3.42Å; L217-E531 HydrophobicContact CD2-CB 3.97Å |
| 218 | F | 96.8 | Very high | 94.3 | Very high | 3 Ų | 3 | 33.8 Ų | 33.8 | 1% | 0.013 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -53.3 | -36.3 | 178.7 | -177.1 | -125.2 | 0 | 0 | 0 | 113.9 | E24 D27 F28 Y31 A214 R222 L242 | E24-F218 WeakPolarHBondContact OE1-CZ 3.37Å; D27-F218 HydrophobicContact CB-CE2 3.63Å; D27-F218 HydrophobicContact CB-CZ 3.82Å; F28-F218 HydrophobicContact CB-CD1 4.47Å; F28-F218 HydrophobicContact CB-CD2 4.46Å; F28-F218 HydrophobicContact CB-CE1 4.08Å; F28-F218 HydrophobicContact CB-CE2 4.08Å; F28-F218 HydrophobicContact CB-CZ 3.85Å; F28-F218 HydrophobicContact CD2-CB 4.29Å; F28-F218 HydrophobicContact CD2-CD1 4.02Å; F28-F218 HydrophobicContact CD2-CE1 4.41Å; F28-F218 HydrophobicContact CD2-CG 4.08Å; Y31-F218 HydrophobicContact CD1-CB 4.5Å; Y31-F218 HydrophobicContact CD2-CB 4.45Å; Y31-F218 AromaticContact CD2-CD2 3.78Å; Y31-F218 HydrophobicContact CD2-CD2 3.78Å; Y31-F218 HydrophobicContact CD2-CE2 4.49Å; Y31-F218 AromaticContact CE2-CD2 3.62Å; Y31-F218 HydrophobicContact CE2-CD2 3.62Å; Y31-F218 HydrophobicContact CE2-CE2 4.24Å; Y31-F218 HydrophobicContact CG-CB 4.36Å; Y31-F218 HydrophobicContact CG-CD2 4.49Å; A214-F218 WeakPolarHBondContact O-CB 3.19Å; A214-F218 PolarHBondContact O-N 3.19Å; F218-R222 VanDerWaalsContact CE1-NH1 3.34Å; F218-R222 WeakPolarHBondContact O-CD 3.17Å; F218-L242 HydrophobicContact CD1-CD1 3.93Å; F218-L242 HydrophobicContact CE1-CD1 3.91Å |
| 219 | R | 95.3 | Very high | 93.9 | Very high | 12 Ų | 12 | 35 Ų | 35 | 5% | 0.045 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -80.1 | -34.2 | 175.7 | -69.5 | -178.1 | 73.2 | -105.6 | -0 | 112.3 | I215 L217 R222 G223 Q224 E226 W228 L242 | I215-R219 WeakPolarHBondContact O-CB 3.43Å; I215-R219 VanDerWaalsContact O-CG 3.29Å; I215-R219 WeakPolarHBondContact O-CG 3.39Å; I215-R219 PolarHBondContact O-N 3.01Å; L217-R219 PolarHBondContact O-N 2.97Å; L217-R219 VanDerWaalsContact O-N 3.15Å; R219-R222 CarbonylContact O-C 3.58Å; R219-R222 WeakPolarHBondContact O-CA 3.43Å; R219-R222 WeakPolarHBondContact O-CB 3.37Å; R219-R222 PolarHBondContact O-N 3.34Å; R219-R222 VanDerWaalsContact O-N 3.09Å; R219-G223 PolarHBondContact O-N 3.09Å; R219-Q224 CarbonylContact C-O 3.59Å; R219-Q224 HydrophobicContact CB-CB 4.08Å; R219-Q224 VanDerWaalsContact CZ-OE1 3.27Å; R219-Q224 VanDerWaalsContact NE-OE1 3.1Å; R219-Q224 WeakPolarHBondContact O-CA 3.31Å; R219-Q224 WeakPolarHBondContact O-CB 3.34Å; R219-Q224 PolarHBondContact O-N 3.18Å; R219-E226 PolarHBondContact NH1-O 2.9Å; R219-W228 VanDerWaalsContact CZ-CG 3.46Å; R219-W228 VanDerWaalsContact NH2-CD1 3.29Å; R219-W228 VanDerWaalsContact NH2-CG 3.33Å; R219-L242 HydrophobicContact CG-CD2 4.18Å |
| 220 | Q | 94.5 | Very high | 93.7 | Very high | 12 Ų | 12 | 32.6 Ų | 32.6 | 6% | 0.056 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -69.9 | -34 | -179.5 | -77 | 167.2 | -3.4 | 0 | 0 | 113.4 | Q216 L217 R222 G223 Y225 | Q216-Q220 WeakPolarHBondContact O-CB 3.24Å; Q216-Q220 VanDerWaalsContact O-CD 3.3Å; Q216-Q220 WeakPolarHBondContact O-CG 3.43Å; Q216-Q220 PolarHBondContact O-N 3.35Å; L217-Q220 WeakPolarHBondContact O-CA 3.4Å; L217-Q220 WeakPolarHBondContact O-CB 3.32Å; L217-Q220 PolarHBondContact O-N 3.11Å; Q220-R222 PolarHBondContact O-N 3.36Å; Q220-G223 PolarHBondContact O-N 2.73Å; Q220-Y225 HydrophobicContact CB-CD1 4.13Å; Q220-Y225 HydrophobicContact CB-CE1 3.92Å; Q220-Y225 HydrophobicContact CG-CD1 3.6Å; Q220-Y225 HydrophobicContact CG-CE1 3.92Å; Q220-Y225 HydrophobicContact CG-CG 4.13Å |
| 221 | D | 92.8 | Very high | 93.5 | Very high | 85 Ų | 85 | 34.4 Ų | 34.4 | 46% | 0.455 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -7.7 | 171.2 | -68.1 | -42.5 | 0 | 0 | 0 | 113.6 | L217 K510 | L217-D221 PolarHBondContact O-N 3.42Å; D221-K510 IonicContact OD1-NZ 3.77Å; D221-K510 PolarHBondContact OD1-NZ 3.27Å |
| 222 | R | 92.7 | Very high | 93.3 | Very high | 90 Ų | 90 | 34.9 Ų | 34.9 | 34% | 0.34 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 15.9 | 165.7 | -63 | 167.7 | 171.8 | -177.7 | -4.2 | 112.5 | E24 D27 F218 R219 Q220 Q224 | E24-R222 IonicContact OE1-CZ 2.71Å; E24-R222 IonicContact OE1-NH1 3.38Å; E24-R222 PolarHBondContact OE1-NH1 3.04Å; E24-R222 IonicContact OE1-NH2 3.68Å; E24-R222 PolarHBondContact OE1-NH2 2.91Å; D27-R222 IonicContact OD2-NH2 3.9Å; D27-R222 PolarHBondContact OD2-NH2 3.35Å; F218-R222 VanDerWaalsContact CE1-NH1 3.34Å; F218-R222 WeakPolarHBondContact O-CD 3.17Å; R219-R222 CarbonylContact O-C 3.58Å; R219-R222 WeakPolarHBondContact O-CA 3.43Å; R219-R222 WeakPolarHBondContact O-CB 3.37Å; R219-R222 PolarHBondContact O-N 3.34Å; R219-R222 VanDerWaalsContact O-N 3.09Å; Q220-R222 PolarHBondContact O-N 3.36Å; R222-Q224 VanDerWaalsContact C-N 3.28Å; R222-Q224 PolarHBondContact O-N 2.97Å |
| 223 | G | 92 | Very high | 93.1 | Very high | 49 Ų | 49 | 33.8 Ų | 33.8 | 51% | 0.505 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | 1 | 178 | 0 | 0 | 0 | 0 | 0 | 115.7 | R219 Q220 Y225 | R219-G223 PolarHBondContact O-N 3.09Å; Q220-G223 PolarHBondContact O-N 2.73Å; G223-Y225 WeakPolarHBondContact O-CD2 3.27Å; G223-Y225 PolarHBondContact O-N 3.4Å |
| 224 | Q | 92.2 | Very high | 93 | Very high | 75 Ų | 75 | 33.4 Ų | 33.4 | 35% | 0.35 | 19% | 0.186 | S | C | . | . | trans | -91.2 | 82 | -177.8 | -61.9 | -177.5 | -10.2 | 0 | 0 | 111 | R219 R222 | R219-Q224 CarbonylContact C-O 3.59Å; R219-Q224 HydrophobicContact CB-CB 4.08Å; R219-Q224 VanDerWaalsContact CZ-OE1 3.27Å; R219-Q224 VanDerWaalsContact NE-OE1 3.1Å; R219-Q224 WeakPolarHBondContact O-CA 3.31Å; R219-Q224 WeakPolarHBondContact O-CB 3.34Å; R219-Q224 PolarHBondContact O-N 3.18Å; R222-Q224 VanDerWaalsContact C-N 3.28Å; R222-Q224 PolarHBondContact O-N 2.97Å | ||
| 225 | Y | 91.4 | Very high | 92.9 | Very high | 29 Ų | 29 | 34.1 Ų | 34.1 | 11% | 0.114 | 19% | 0.19 | C | C | . | . | trans | -78.1 | -24.4 | -179.7 | -69.5 | -88.8 | 0 | 0 | 0 | 114.8 | Q220 G223 P499 K502 K503 A506 K510 | Q220-Y225 HydrophobicContact CB-CD1 4.13Å; Q220-Y225 HydrophobicContact CB-CE1 3.92Å; Q220-Y225 HydrophobicContact CG-CD1 3.6Å; Q220-Y225 HydrophobicContact CG-CE1 3.92Å; Q220-Y225 HydrophobicContact CG-CG 4.13Å; G223-Y225 WeakPolarHBondContact O-CD2 3.27Å; G223-Y225 PolarHBondContact O-N 3.4Å; Y225-P499 WeakPolarHBondContact O-CB 3.45Å; Y225-K502 HydrophobicContact CD1-CB 3.82Å; Y225-K502 HydrophobicContact CE1-CB 4.2Å; Y225-K503 HydrophobicContact CD2-CB 3.87Å; Y225-K503 HydrophobicContact CD2-CG 3.94Å; Y225-K503 HydrophobicContact CE2-CB 4.5Å; Y225-K503 HydrophobicContact CE2-CG 4.46Å; Y225-K503 HydrophobicContact CG-CB 3.91Å; Y225-K503 HydrophobicContact CG-CG 4.46Å; Y225-A506 HydrophobicContact CE2-CB 4.49Å; Y225-A506 VanDerWaalsContact OH-CB 3.32Å; Y225-A506 WeakPolarHBondContact OH-CB 3.27Å; Y225-K510 WeakPolarHBondContact OH-CE 3.21Å; Y225-K510 PolarHBondContact OH-NZ 3.31Å | ||
| 226 | E | 86.1 | Confident | 92.8 | Very high | 67 Ų | 67 | 34.5 Ų | 34.5 | 31% | 0.313 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -70.4 | 155.9 | -170.8 | 61.1 | 172 | 172.8 | 0 | 0 | 115.2 | R219 S423 | R219-E226 PolarHBondContact NH1-O 2.9Å; E226-S423 WeakPolarHBondContact OE2-CA 3.34Å; E226-S423 WeakPolarHBondContact OE2-CB 3.25Å; E226-S423 PolarHBondContact OE2-N 3.47Å |
| 227 | A | 85.1 | Confident | 92.8 | Very high | 30 Ų | 30 | 32.2 Ų | 32.2 | 25% | 0.248 | 18% | 0.181 | C | C | . | . | trans | -55.8 | 136.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | S423 | A227-S423 PolarHBondContact O-OG 3.49Š| ||
| 228 | W | 90.2 | Very high | 92.9 | Very high | 26 Ų | 26 | 32 Ų | 32 | 10% | 0.098 | 18% | 0.18 | C | C | . | . | trans | -121.9 | 116 | -165.3 | -177.9 | 46.6 | 0 | 0 | 0 | 110.7 | I215 R219 M230 L231 V238 N241 L242 E245 | I215-W228 HydrophobicContact CG2-CZ3 4.3Å; R219-W228 VanDerWaalsContact CZ-CG 3.46Å; R219-W228 VanDerWaalsContact NH2-CD1 3.29Å; R219-W228 VanDerWaalsContact NH2-CG 3.33Å; W228-M230 HydrophobicContact CD2-CB 4.17Å; W228-M230 HydrophobicContact CH2-CB 4.13Å; W228-M230 HydrophobicContact CZ2-CB 3.56Å; W228-M230 PolarHBondContact O-N 2.99Å; W228-L231 HydrophobicContact CE3-CB 3.87Å; W228-L231 HydrophobicContact CE3-CD1 4.48Å; W228-L231 HydrophobicContact CZ3-CB 4.49Å; W228-L231 WeakPolarHBondContact O-CB 3.33Å; W228-L231 PolarHBondContact O-N 2.99Å; W228-V238 HydrophobicContact CH2-CG1 4.5Å; W228-V238 HydrophobicContact CZ3-CG1 3.87Å; W228-N241 HydrophobicContact CH2-CB 3.97Å; W228-N241 HydrophobicContact CZ2-CB 4.21Å; W228-L242 HydrophobicContact CH2-CB 4.45Å; W228-L242 HydrophobicContact CH2-CD2 3.36Å; W228-L242 HydrophobicContact CH2-CG 3.49Å; W228-L242 VanDerWaalsContact CH2-CG 3.49Å; W228-L242 HydrophobicContact CZ2-CD2 3.64Å; W228-L242 HydrophobicContact CZ2-CG 4.17Å; W228-L242 HydrophobicContact CZ3-CD2 3.84Å; W228-L242 HydrophobicContact CZ3-CG 4.03Å; W228-E245 PolarHBondContact NE1-OE1 2.86Å; W228-E245 PolarHBondContact NE1-OE2 3.25Å | ||
| 229 | G | 88.9 | Confident | 92.9 | Very high | 32 Ų | 32 | 31.9 Ų | 31.9 | 33% | 0.33 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -16.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 230 | M | 92.5 | Very high | 93 | Very high | 35 Ų | 35 | 31.3 Ų | 31.3 | 17% | 0.172 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 6.6 | 178.6 | -58.5 | -59 | -69.8 | 0 | 0 | 113.7 | P167 Y168 W228 I232 N241 | P167-M230 HydrophobicContact CB-CE 3.69Å; P167-M230 HydrophobicContact CG-CE 4.24Å; Y168-M230 HydrophobicContact CD2-CE 4.2Å; Y168-M230 HydrophobicContact CE2-CE 3.45Å; Y168-M230 VanDerWaalsContact CE2-CE 3.45Å; W228-M230 HydrophobicContact CD2-CB 4.17Å; W228-M230 HydrophobicContact CH2-CB 4.13Å; W228-M230 HydrophobicContact CZ2-CB 3.56Å; W228-M230 PolarHBondContact O-N 2.99Å; M230-I232 PolarHBondContact O-N 3.11Å; M230-I232 HydrophobicContact SD-CD1 4.39Å; M230-N241 HydrophobicContact CB-CB 4.07Å; M230-N241 HydrophobicContact CE-CB 4.29Å; M230-N241 PolarHBondContact O-ND2 2.93Å |
| 231 | L | 93.9 | Very high | 93.1 | Very high | 38 Ų | 38 | 30.8 Ų | 30.8 | 20% | 0.199 | 18% | 0.175 | C | C | . | . | trans | -74.9 | 69.4 | 164.2 | -172.8 | 62.1 | 0 | 0 | 0 | 109.8 | Q201 L212 I215 W228 V238 | Q201-L231 PolarHBondContact NE2-O 3.46Å; L212-L231 HydrophobicContact CD2-CD1 4.05Å; L212-L231 HydrophobicContact CD2-CG 4.47Å; I215-L231 HydrophobicContact CG2-CD1 4Å; W228-L231 HydrophobicContact CE3-CB 3.87Å; W228-L231 HydrophobicContact CE3-CD1 4.48Å; W228-L231 HydrophobicContact CZ3-CB 4.49Å; W228-L231 WeakPolarHBondContact O-CB 3.33Å; W228-L231 PolarHBondContact O-N 2.99Å; L231-V238 HydrophobicContact CD1-CG1 3.69Å; L231-V238 HydrophobicContact CD1-CG2 4.19Å | ||
| 232 | I | 93.2 | Very high | 93.3 | Very high | 12 Ų | 12 | 27 Ų | 27 | 6% | 0.062 | 16% | 0.155 | C | C | . | . | trans | -145.2 | 143.8 | -171.5 | 55.2 | 178.9 | 0 | 0 | 0 | 112.3 | T120 N197 M230 | T120-I232 HydrophobicContact CG2-CB 3.79Å; T120-I232 HydrophobicContact CG2-CD1 4.06Å; T120-I232 HydrophobicContact CG2-CG1 3.77Å; N197-I232 HydrophobicContact CB-CB 4.29Å; N197-I232 HydrophobicContact CB-CG2 3.82Å; M230-I232 PolarHBondContact O-N 3.11Å; M230-I232 HydrophobicContact SD-CD1 4.39Å | ||
| 233 | G | 92.7 | Very high | 93.5 | Very high | 5 Ų | 5 | 22.9 Ų | 22.9 | 5% | 0.052 | 14% | 0.14 | C | C | . | . | S | Bend | trans | 84 | -157.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113 | Q196 F200 | Q196-G233 WeakPolarHBondContact O-CA 3.27Å; Q196-G233 PolarHBondContact O-N 3.24Å; F200-G233 VanDerWaalsContact CB-O 3.25Å; F200-G233 WeakPolarHBondContact CB-O 3.48Å; F200-G233 WeakPolarHBondContact CD1-O 3.42Å; F200-G233 WeakPolarHBondContact CG-O 3.35Å |
| 234 | S | 94.2 | Very high | 93.7 | Very high | 36 Ų | 36 | 20.5 Ų | 20.5 | 25% | 0.252 | 12% | 0.116 | S | C | . | . | S | Bend | trans | -72.9 | 165.2 | 176.2 | 54.7 | 0 | 0 | 0 | 0 | 112.9 | V236 R237 V238 | S234-V236 PolarHBondContact O-N 2.84Å; S234-R237 CarbonylContact O-C 3.58Å; S234-R237 WeakPolarHBondContact O-CA 3.36Å; S234-R237 WeakPolarHBondContact O-CB 3.4Å; S234-R237 PolarHBondContact O-N 3.17Å; S234-V238 WeakPolarHBondContact O-CG2 3.26Å; S234-V238 PolarHBondContact O-N 3.31Å |
| 235 | D | 96.1 | Very high | 93.7 | Very high | 15 Ų | 15 | 20.3 Ų | 20.3 | 8% | 0.08 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -43.8 | -52.2 | 168.3 | 38.7 | 29.6 | 0 | 0 | 0 | 114.4 | F200 F211 R237 V238 M239 K293 | F200-D235 HydrophobicContact CE2-CB 4.48Å; F200-D235 HydrophobicContact CZ-CB 3.88Å; F200-D235 VanDerWaalsContact CZ-N 3.35Å; F211-D235 HydrophobicContact CD1-CB 4.03Å; F211-D235 HydrophobicContact CD2-CB 3.77Å; F211-D235 HydrophobicContact CE1-CB 3.9Å; F211-D235 HydrophobicContact CE2-CB 3.64Å; F211-D235 HydrophobicContact CG-CB 3.97Å; F211-D235 VanDerWaalsContact CZ-CA 3.44Å; F211-D235 HydrophobicContact CZ-CB 3.71Å; F211-D235 WeakPolarHBondContact CZ-O 3.47Å; D235-R237 VanDerWaalsContact C-N 3.27Å; D235-R237 PolarHBondContact O-N 3.26Å; D235-V238 PolarHBondContact O-N 3.03Å; D235-M239 PolarHBondContact O-N 3.43Å; D235-K293 VanDerWaalsContact OD2-CE 3.3Å; D235-K293 WeakPolarHBondContact OD2-CE 3.22Å; D235-K293 IonicContact OD2-NZ 3.72Å; D235-K293 PolarHBondContact OD2-NZ 3.06Å |
| 236 | V | 96.9 | Very high | 93.7 | Very high | 10 Ų | 10 | 23.4 Ų | 23.4 | 6% | 0.061 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -57.7 | -40.5 | 176.2 | -177.1 | 0 | 0 | 0 | 0 | 111.3 | S234 A240 Q282 L285 L286 L289 | S234-V236 PolarHBondContact O-N 2.84Å; V236-A240 VanDerWaalsContact O-CB 3.23Å; V236-A240 WeakPolarHBondContact O-CB 3.46Å; V236-A240 PolarHBondContact O-N 2.98Å; V236-Q282 HydrophobicContact CG1-CB 4.27Å; V236-Q282 HydrophobicContact CG1-CG 4.39Å; V236-Q282 WeakPolarHBondContact CG1-O 3.43Å; V236-L285 HydrophobicContact CG1-CB 4.12Å; V236-L286 HydrophobicContact CG1-CB 4.21Å; V236-L286 HydrophobicContact CG2-CB 4.39Å; V236-L286 HydrophobicContact CG2-CD1 3.92Å; V236-L289 HydrophobicContact CB-CD1 4.29Å; V236-L289 HydrophobicContact CG2-CD1 3.91Å |
| 237 | R | 95.9 | Very high | 94.1 | Very high | 10 Ų | 10 | 20.3 Ų | 20.3 | 4% | 0.038 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -70.7 | -40.3 | 179.6 | -175.2 | 157.4 | -68.9 | 146.5 | 11 | 112.1 | T120 S234 D235 A240 N241 Y278 | T120-R237 PolarHBondContact OG1-NH1 2.86Å; S234-R237 CarbonylContact O-C 3.58Å; S234-R237 WeakPolarHBondContact O-CA 3.36Å; S234-R237 WeakPolarHBondContact O-CB 3.4Å; S234-R237 PolarHBondContact O-N 3.17Å; D235-R237 VanDerWaalsContact C-N 3.27Å; D235-R237 PolarHBondContact O-N 3.26Å; R237-A240 PolarHBondContact O-N 2.98Å; R237-N241 PolarHBondContact O-N 2.76Å; R237-N241 PolarHBondContact O-ND2 2.98Å; R237-N241 PolarHBondContact O-OD1 3.29Å; R237-N241 VanDerWaalsContact O-OD1 3.13Å; R237-Y278 WeakPolarHBondContact CG-OH 3.37Å |
| 238 | V | 97.1 | Very high | 94.4 | Very high | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.006 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64.2 | -45.7 | 175.7 | 172.1 | 0 | 0 | 0 | 0 | 111 | F211 I215 W228 L231 S234 D235 N241 L242 | F211-V238 HydrophobicContact CE1-CB 3.82Å; F211-V238 HydrophobicContact CE1-CG1 3.76Å; F211-V238 HydrophobicContact CE1-CG2 4.3Å; F211-V238 HydrophobicContact CZ-CB 3.87Å; F211-V238 HydrophobicContact CZ-CG1 3.84Å; I215-V238 HydrophobicContact CD1-CG1 4.07Å; I215-V238 HydrophobicContact CG1-CG1 4.16Å; I215-V238 HydrophobicContact CG2-CG1 4.28Å; W228-V238 HydrophobicContact CH2-CG1 4.5Å; W228-V238 HydrophobicContact CZ3-CG1 3.87Å; L231-V238 HydrophobicContact CD1-CG1 3.69Å; L231-V238 HydrophobicContact CD1-CG2 4.19Å; S234-V238 WeakPolarHBondContact O-CG2 3.26Å; S234-V238 PolarHBondContact O-N 3.31Å; D235-V238 PolarHBondContact O-N 3.03Å; V238-N241 WeakPolarHBondContact O-CB 3.14Å; V238-N241 PolarHBondContact O-N 3.39Å; V238-L242 PolarHBondContact O-N 2.88Å |
| 239 | M | 97.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.5 | -40.3 | 174.3 | -76.7 | -64.8 | -69.5 | 0 | 0 | 111.9 | E24 L25 F28 F211 I215 D235 N241 L242 V243 L285 L289 | E24-M239 HydrophobicContact CG-CE 4.47Å; L25-M239 HydrophobicContact CB-CE 4.47Å; L25-M239 HydrophobicContact CD1-CE 4.3Å; F28-M239 HydrophobicContact CB-CE 3.7Å; F28-M239 HydrophobicContact CB-SD 4.3Å; F28-M239 HydrophobicContact CD1-CE 3.82Å; F28-M239 HydrophobicContact CD1-SD 3.88Å; F28-M239 HydrophobicContact CD2-SD 4.01Å; F28-M239 HydrophobicContact CE1-SD 4.16Å; F28-M239 HydrophobicContact CE2-SD 4.29Å; F28-M239 HydrophobicContact CG-CE 3.76Å; F28-M239 HydrophobicContact CG-SD 3.79Å; F28-M239 HydrophobicContact CZ-SD 4.37Å; F211-M239 HydrophobicContact CE2-CG 3.85Å; F211-M239 HydrophobicContact CZ-CG 3.98Å; I215-M239 HydrophobicContact CD1-CG 4.37Å; I215-M239 HydrophobicContact CD1-SD 3.6Å; I215-M239 VanDerWaalsContact CD1-SD 3.6Å; D235-M239 PolarHBondContact O-N 3.43Å; M239-N241 VanDerWaalsContact C-N 3.25Å; M239-N241 PolarHBondContact O-N 3.15Å; M239-L242 WeakPolarHBondContact O-CB 3.44Å; M239-L242 PolarHBondContact O-N 2.93Å; M239-L242 VanDerWaalsContact O-N 3.16Å; M239-L242 HydrophobicContact SD-CD1 3.95Å; M239-V243 PolarHBondContact O-N 2.94Å; M239-V243 VanDerWaalsContact O-N 3.11Å; M239-L285 HydrophobicContact CB-CD1 3.78Å; M239-L285 HydrophobicContact CB-CD2 4.31Å; M239-L289 HydrophobicContact CB-CD1 4.15Å; M239-L289 HydrophobicContact CG-CD1 4.01Å; M239-L289 HydrophobicContact CG-CD2 4.32Å |
| 240 | A | 97.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.6 | -35.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V236 R237 V243 M244 Y278 V281 Q282 L285 | V236-A240 VanDerWaalsContact O-CB 3.23Å; V236-A240 WeakPolarHBondContact O-CB 3.46Å; V236-A240 PolarHBondContact O-N 2.98Å; R237-A240 PolarHBondContact O-N 2.98Å; A240-V243 PolarHBondContact O-N 3.29Å; A240-M244 WeakPolarHBondContact O-CB 3.16Å; A240-M244 VanDerWaalsContact O-CG 3.26Å; A240-M244 WeakPolarHBondContact O-CG 3.25Å; A240-M244 PolarHBondContact O-N 3.42Å; A240-Y278 HydrophobicContact CB-CD2 4.02Å; A240-Y278 HydrophobicContact CB-CE2 3.55Å; A240-V281 HydrophobicContact CB-CG1 3.72Å; A240-Q282 HydrophobicContact CB-CG 3.64Å; A240-L285 HydrophobicContact CB-CD1 3.95Å; A240-L285 VanDerWaalsContact N-CD1 3.32Å |
| 241 | N | 96.2 | Very high | 94.2 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64.6 | -41.3 | 174.9 | -62 | -18.3 | 0 | 0 | 0 | 111.9 | Y168 W228 M230 R237 V238 M239 V243 M244 E245 Y278 | Y168-N241 HydrophobicContact CE2-CB 4.17Å; W228-N241 HydrophobicContact CH2-CB 3.97Å; W228-N241 HydrophobicContact CZ2-CB 4.21Å; M230-N241 HydrophobicContact CB-CB 4.07Å; M230-N241 HydrophobicContact CE-CB 4.29Å; M230-N241 PolarHBondContact O-ND2 2.93Å; R237-N241 PolarHBondContact O-N 2.76Å; R237-N241 PolarHBondContact O-ND2 2.98Å; R237-N241 PolarHBondContact O-OD1 3.29Å; R237-N241 VanDerWaalsContact O-OD1 3.13Å; V238-N241 WeakPolarHBondContact O-CB 3.14Å; V238-N241 PolarHBondContact O-N 3.39Å; M239-N241 VanDerWaalsContact C-N 3.25Å; M239-N241 PolarHBondContact O-N 3.15Å; N241-V243 PolarHBondContact O-N 3.36Å; N241-M244 PolarHBondContact O-N 2.73Å; N241-E245 PolarHBondContact O-N 3.29Å; N241-Y278 PolarHBondContact OD1-OH 2.79Å |
| 242 | L | 95.9 | Very high | 93.9 | Very high | 7 Ų | 7 | 19.9 Ų | 19.9 | 4% | 0.037 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.8 | -44.5 | 174.1 | -71.3 | 175.2 | 0 | 0 | 0 | 112.1 | I215 F218 R219 W228 V238 M239 K246 | I215-L242 HydrophobicContact CD1-CD1 3.75Å; F218-L242 HydrophobicContact CD1-CD1 3.93Å; F218-L242 HydrophobicContact CE1-CD1 3.91Å; R219-L242 HydrophobicContact CG-CD2 4.18Å; W228-L242 HydrophobicContact CH2-CB 4.45Å; W228-L242 HydrophobicContact CH2-CD2 3.36Å; W228-L242 HydrophobicContact CH2-CG 3.49Å; W228-L242 VanDerWaalsContact CH2-CG 3.49Å; W228-L242 HydrophobicContact CZ2-CD2 3.64Å; W228-L242 HydrophobicContact CZ2-CG 4.17Å; W228-L242 HydrophobicContact CZ3-CD2 3.84Å; W228-L242 HydrophobicContact CZ3-CG 4.03Å; V238-L242 PolarHBondContact O-N 2.88Å; M239-L242 WeakPolarHBondContact O-CB 3.44Å; M239-L242 PolarHBondContact O-N 2.93Å; M239-L242 VanDerWaalsContact O-N 3.16Å; M239-L242 HydrophobicContact SD-CD1 3.95Å; L242-K246 PolarHBondContact O-N 2.95Å |
| 243 | V | 97.2 | Very high | 93.6 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.012 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.5 | -43.8 | 176.7 | 177.3 | 0 | 0 | 0 | 0 | 110.6 | A21 E24 M239 A240 N241 K246 L247 V281 L285 | A21-V243 HydrophobicContact CB-CG1 4.4Å; A21-V243 HydrophobicContact CB-CG2 4.34Å; E24-V243 HydrophobicContact CB-CG2 3.66Å; E24-V243 HydrophobicContact CG-CG2 3.78Å; M239-V243 PolarHBondContact O-N 2.94Å; M239-V243 VanDerWaalsContact O-N 3.11Å; A240-V243 PolarHBondContact O-N 3.29Å; N241-V243 PolarHBondContact O-N 3.36Å; V243-K246 PolarHBondContact O-N 3.28Å; V243-L247 WeakPolarHBondContact O-CB 3.47Å; V243-L247 PolarHBondContact O-N 3.48Å; V243-V281 HydrophobicContact CB-CG1 3.8Å; V243-V281 HydrophobicContact CG1-CG1 3.83Å; V243-V281 HydrophobicContact CG1-CG2 3.78Å; V243-V281 HydrophobicContact CG2-CG1 4.21Å; V243-L285 HydrophobicContact CG2-CD1 4.21Å |
| 244 | M | 96.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.7 | -36.9 | -179.5 | -70.8 | -58.8 | -74.4 | 0 | 0 | 113.5 | Y168 A240 N241 K246 L247 L248 M274 Y278 | Y168-M244 HydrophobicContact CD1-CB 4.25Å; Y168-M244 HydrophobicContact CD1-CE 4.18Å; Y168-M244 HydrophobicContact CD2-CB 3.92Å; Y168-M244 HydrophobicContact CD2-CG 3.98Å; Y168-M244 HydrophobicContact CE1-CB 4.06Å; Y168-M244 HydrophobicContact CE2-CB 3.69Å; Y168-M244 HydrophobicContact CE2-CG 4.26Å; Y168-M244 HydrophobicContact CG-CB 4.19Å; Y168-M244 HydrophobicContact CG-CE 4.24Å; Y168-M244 HydrophobicContact CG-CG 4.13Å; A240-M244 WeakPolarHBondContact O-CB 3.16Å; A240-M244 VanDerWaalsContact O-CG 3.26Å; A240-M244 WeakPolarHBondContact O-CG 3.25Å; A240-M244 PolarHBondContact O-N 3.42Å; N241-M244 PolarHBondContact O-N 2.73Å; M244-K246 VanDerWaalsContact C-N 3.26Å; M244-K246 PolarHBondContact O-N 3.06Å; M244-L247 PolarHBondContact O-N 3.13Å; M244-L247 HydrophobicContact SD-CD2 4.04Å; M244-L248 HydrophobicContact CB-CD1 4.38Å; M244-L248 HydrophobicContact CE-CD1 4.12Å; M244-L248 HydrophobicContact CE-CD2 3.8Å; M244-L248 HydrophobicContact CE-CG 3.92Å; M244-L248 WeakPolarHBondContact O-CB 3.36Å; M244-L248 VanDerWaalsContact O-CG 3.3Å; M244-L248 WeakPolarHBondContact O-CG 3.38Å; M244-L248 PolarHBondContact O-N 2.94Å; M244-M274 HydrophobicContact CE-CG 3.96Å; M244-Y278 HydrophobicContact CG-CD2 3.48Å; M244-Y278 VanDerWaalsContact CG-CD2 3.48Å; M244-Y278 HydrophobicContact CG-CE2 4.07Å; M244-Y278 HydrophobicContact CG-CG 4.39Å; M244-Y278 HydrophobicContact SD-CD2 4.21Å |
| 245 | E | 92.5 | Very high | 92.7 | Very high | 71 Ų | 71 | 29.9 Ų | 29.9 | 33% | 0.332 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -58.7 | -38.1 | 174.2 | -76.9 | -174.4 | 170.1 | 0 | 0 | 111.9 | W228 N241 P249 | W228-E245 PolarHBondContact NE1-OE1 2.86Å; W228-E245 PolarHBondContact NE1-OE2 3.25Å; N241-E245 PolarHBondContact O-N 3.29Å; E245-P249 WeakPolarHBondContact O-CD 3.39Å |
| 246 | K | 91.6 | Very high | 92.1 | Very high | 93 Ų | 93 | 30.1 Ų | 30.1 | 40% | 0.404 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -78.1 | -37.9 | 174.3 | -68.3 | -174.8 | 179.6 | -178.1 | 0 | 113.8 | E24 L242 V243 M244 | E24-K246 WeakPolarHBondContact OE1-CE 3.29Å; E24-K246 IonicContact OE1-NZ 3.84Å; E24-K246 PolarHBondContact OE1-NZ 3.21Å; E24-K246 VanDerWaalsContact OE2-CD 3.24Å; E24-K246 WeakPolarHBondContact OE2-CD 3.48Å; E24-K246 VanDerWaalsContact OE2-CE 3.26Å; E24-K246 WeakPolarHBondContact OE2-CE 3.45Å; E24-K246 IonicContact OE2-NZ 3.73Å; E24-K246 PolarHBondContact OE2-NZ 2.86Å; L242-K246 PolarHBondContact O-N 2.95Å; V243-K246 PolarHBondContact O-N 3.28Å; M244-K246 VanDerWaalsContact C-N 3.26Å; M244-K246 PolarHBondContact O-N 3.06Å |
| 247 | L | 93.4 | Very high | 91.5 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -78.9 | -35.8 | -171.1 | 177.8 | 63.2 | 0 | 0 | 0 | 113.3 | Y16 I17 V243 M244 S250 L251 A277 V281 | Y16-L247 HydrophobicContact CE1-CD1 3.93Å; I17-L247 HydrophobicContact CB-CD2 4.48Å; I17-L247 HydrophobicContact CD1-CD2 4.43Å; I17-L247 HydrophobicContact CG1-CD1 4.07Å; I17-L247 HydrophobicContact CG1-CD2 3.92Å; I17-L247 HydrophobicContact CG2-CD2 4Å; V243-L247 WeakPolarHBondContact O-CB 3.47Å; V243-L247 PolarHBondContact O-N 3.48Å; M244-L247 PolarHBondContact O-N 3.13Å; M244-L247 HydrophobicContact SD-CD2 4.04Å; L247-S250 PolarHBondContact O-N 3.38Å; L247-S250 PolarHBondContact O-OG 3.35Å; L247-L251 HydrophobicContact CG-CB 4.49Å; L247-L251 VanDerWaalsContact O-CB 3.26Å; L247-L251 WeakPolarHBondContact O-CB 3.43Å; L247-L251 PolarHBondContact O-N 2.6Å; L247-A277 HydrophobicContact CD2-CB 4.42Å; L247-V281 HydrophobicContact CD2-CG2 4.36Å |
| 248 | L | 91.6 | Very high | 90.8 | Very high | 30 Ų | 30 | 41.6 Ų | 41.6 | 16% | 0.157 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.4 | -39.7 | -174.8 | -74.4 | 168.2 | 0 | 0 | 0 | 114.3 | Y168 M244 S250 G252 W270 M274 | Y168-L248 HydrophobicContact CD1-CD1 3.72Å; Y168-L248 HydrophobicContact CE1-CD1 3.36Å; M244-L248 HydrophobicContact CB-CD1 4.38Å; M244-L248 HydrophobicContact CE-CD1 4.12Å; M244-L248 HydrophobicContact CE-CD2 3.8Å; M244-L248 HydrophobicContact CE-CG 3.92Å; M244-L248 WeakPolarHBondContact O-CB 3.36Å; M244-L248 VanDerWaalsContact O-CG 3.3Å; M244-L248 WeakPolarHBondContact O-CG 3.38Å; M244-L248 PolarHBondContact O-N 2.94Å; L248-S250 VanDerWaalsContact C-N 3.35Å; L248-S250 PolarHBondContact O-N 3.4Å; L248-G252 PolarHBondContact O-N 3.36Å; L248-W270 HydrophobicContact CD2-CH2 3.84Å; L248-W270 HydrophobicContact CD2-CZ2 3.76Å; L248-M274 HydrophobicContact CD2-CB 4.44Å; L248-M274 HydrophobicContact CD2-CG 4.04Å |
| 249 | P | 90.7 | Very high | 89.9 | Confident | 75 Ų | 75 | 42.8 Ų | 42.8 | 49% | 0.487 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.9 | -29.3 | 176.4 | -25.4 | 36.1 | 0 | 0 | 0 | 115.1 | E245 K253 | E245-P249 WeakPolarHBondContact O-CD 3.39Å; P249-K253 VanDerWaalsContact O-CD 3.27Å; P249-K253 WeakPolarHBondContact O-CD 3.38Å; P249-K253 VanDerWaalsContact O-CG 3.27Å; P249-K253 WeakPolarHBondContact O-CG 3.45Å |
| 250 | S | 89.8 | Confident | 88.6 | Confident | 35 Ų | 35 | 55 Ų | 55 | 25% | 0.245 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -82 | -47.9 | 173.6 | 55.5 | 0 | 0 | 0 | 0 | 110.9 | L247 L248 G252 K253 D254 | L247-S250 PolarHBondContact O-N 3.38Å; L247-S250 PolarHBondContact O-OG 3.35Å; L248-S250 VanDerWaalsContact C-N 3.35Å; L248-S250 PolarHBondContact O-N 3.4Å; S250-G252 VanDerWaalsContact C-N 3.26Å; S250-G252 PolarHBondContact O-N 3.4Å; S250-K253 PolarHBondContact O-N 2.95Å; S250-K253 VanDerWaalsContact O-N 3.11Å; S250-D254 PolarHBondContact O-N 2.93Å |
| 251 | L | 87.4 | Confident | 87.6 | Confident | 7 Ų | 7 | 57.4 Ų | 57.4 | 4% | 0.037 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58 | -37 | 178.7 | -167.1 | 67.2 | 0 | 0 | 0 | 112.3 | L9 L247 L255 W270 A277 | L9-L251 HydrophobicContact CD2-CD1 4.04Å; L247-L251 HydrophobicContact CG-CB 4.49Å; L247-L251 VanDerWaalsContact O-CB 3.26Å; L247-L251 WeakPolarHBondContact O-CB 3.43Å; L247-L251 PolarHBondContact O-N 2.6Å; L251-L255 HydrophobicContact CD1-CD1 3.64Å; L251-L255 HydrophobicContact CD1-CG 4Å; L251-L255 HydrophobicContact CG-CD1 3.79Å; L251-L255 HydrophobicContact CG-CG 4.3Å; L251-L255 VanDerWaalsContact O-CB 3.24Å; L251-L255 WeakPolarHBondContact O-CB 3.49Å; L251-L255 WeakPolarHBondContact O-CG 3.27Å; L251-L255 PolarHBondContact O-N 3.34Å; L251-W270 HydrophobicContact CG-CZ3 4.36Å; L251-A277 HydrophobicContact CD2-CB 4.08Å |
| 252 | G | 87.6 | Confident | 86.9 | Confident | 6 Ų | 6 | 65 Ų | 65 | 6% | 0.062 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64 | -47.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L248 S250 D254 L256 W270 | L248-G252 PolarHBondContact O-N 3.36Å; S250-G252 VanDerWaalsContact C-N 3.26Å; S250-G252 PolarHBondContact O-N 3.4Å; G252-D254 VanDerWaalsContact C-N 3.33Å; G252-D254 PolarHBondContact O-N 3.13Å; G252-L256 WeakPolarHBondContact O-CB 3.48Å; G252-L256 VanDerWaalsContact O-CG 3.31Å; G252-L256 WeakPolarHBondContact O-CG 3.27Å; G252-L256 PolarHBondContact O-N 3.49Å; G252-L256 VanDerWaalsContact O-N 3.08Å; G252-W270 VanDerWaalsContact CA-CZ3 3.47Å |
| 253 | K | 87.3 | Confident | 86.1 | Confident | 158 Ų | 158 | 67.2 Ų | 67.2 | 69% | 0.687 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -62.3 | -39.8 | 177.9 | -71.2 | 169.8 | -172.6 | 173.2 | 0 | 112 | P249 S250 P257 | P249-K253 VanDerWaalsContact O-CD 3.27Å; P249-K253 WeakPolarHBondContact O-CD 3.38Å; P249-K253 VanDerWaalsContact O-CG 3.27Å; P249-K253 WeakPolarHBondContact O-CG 3.45Å; S250-K253 PolarHBondContact O-N 2.95Å; S250-K253 VanDerWaalsContact O-N 3.11Å; K253-P257 WeakPolarHBondContact O-CD 3.34Å; K253-P257 VanDerWaalsContact O-CG 3.31Å; K253-P257 WeakPolarHBondContact O-CG 3.47Å |
| 254 | D | 85.6 | Confident | 85.2 | Confident | 101 Ų | 101 | 68.5 Ų | 68.5 | 54% | 0.54 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -81.4 | -33.7 | -175.7 | -75.9 | 0.2 | 0 | 0 | 0 | 113.4 | S250 G252 R258 | S250-D254 PolarHBondContact O-N 2.93Å; G252-D254 VanDerWaalsContact C-N 3.33Å; G252-D254 PolarHBondContact O-N 3.13Å; D254-R258 WeakPolarHBondContact O-CD 3.32Å; D254-R258 WeakPolarHBondContact O-CG 3.18Å |
| 255 | L | 83.3 | Confident | 84.6 | Confident | 3 Ų | 3 | 71.7 Ų | 71.7 | 2% | 0.016 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -91.6 | -49 | -176.5 | -66.8 | -173.8 | 0 | 0 | 0 | 114 | L8 K13 L251 R258 T273 | L8-L255 HydrophobicContact CB-CD1 4.31Å; L8-L255 HydrophobicContact CB-CD2 4.35Å; K13-L255 HydrophobicContact CD-CD2 3.93Å; L251-L255 HydrophobicContact CD1-CD1 3.64Å; L251-L255 HydrophobicContact CD1-CG 4Å; L251-L255 HydrophobicContact CG-CD1 3.79Å; L251-L255 HydrophobicContact CG-CG 4.3Å; L251-L255 VanDerWaalsContact O-CB 3.24Å; L251-L255 WeakPolarHBondContact O-CB 3.49Å; L251-L255 WeakPolarHBondContact O-CG 3.27Å; L251-L255 PolarHBondContact O-N 3.34Å; L255-R258 WeakPolarHBondContact O-CA 3.45Å; L255-R258 WeakPolarHBondContact O-CB 3.33Å; L255-R258 PolarHBondContact O-N 3.25Å; L255-T273 HydrophobicContact CD1-CG2 3.42Å; L255-T273 VanDerWaalsContact CD1-CG2 3.42Å |
| 256 | L | 83.3 | Confident | 84.2 | Confident | 21 Ų | 21 | 71 Ų | 71 | 11% | 0.11 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -57.8 | -40.7 | -168.9 | -63.6 | 172.5 | 0 | 0 | 0 | 113.4 | Y139 P140 G252 R258 L259 W270 | Y139-L256 HydrophobicContact CE2-CD2 3.9Å; P140-L256 HydrophobicContact CB-CD1 3.79Å; P140-L256 HydrophobicContact CG-CD1 3.99Å; G252-L256 WeakPolarHBondContact O-CB 3.48Å; G252-L256 VanDerWaalsContact O-CG 3.31Å; G252-L256 WeakPolarHBondContact O-CG 3.27Å; G252-L256 PolarHBondContact O-N 3.49Å; G252-L256 VanDerWaalsContact O-N 3.08Å; L256-R258 PolarHBondContact O-N 3.41Å; L256-L259 HydrophobicContact CD2-CD1 4.2Å; L256-L259 PolarHBondContact O-N 3.2Å; L256-W270 HydrophobicContact CD2-CB 4.08Å; L256-W270 HydrophobicContact CD2-CD2 4.12Å; L256-W270 HydrophobicContact CD2-CE3 3.88Å; L256-W270 HydrophobicContact CD2-CG 4.23Å; L256-W270 HydrophobicContact CG-CE3 4.2Å |
| 257 | P | 83.8 | Confident | 83.9 | Confident | 105 Ų | 105 | 66.5 Ų | 66.5 | 68% | 0.682 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -66.6 | -20 | 175.5 | -22.1 | 35.4 | 0 | 0 | 0 | 114.6 | K253 | K253-P257 WeakPolarHBondContact O-CD 3.34Å; K253-P257 VanDerWaalsContact O-CG 3.31Å; K253-P257 WeakPolarHBondContact O-CG 3.47Å |
| 258 | R | 80.8 | Confident | 83.6 | Confident | 156 Ų | 156 | 68.8 Ų | 68.8 | 59% | 0.589 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -81.1 | -17.8 | 178.5 | -62.4 | 169.9 | 70.7 | 163.9 | -4.8 | 112.2 | D10 D254 L255 L256 R260 | D10-R258 IonicContact OD2-NH2 3.52Å; D254-R258 WeakPolarHBondContact O-CD 3.32Å; D254-R258 WeakPolarHBondContact O-CG 3.18Å; L255-R258 WeakPolarHBondContact O-CA 3.45Å; L255-R258 WeakPolarHBondContact O-CB 3.33Å; L255-R258 PolarHBondContact O-N 3.25Å; L256-R258 PolarHBondContact O-N 3.41Å; R258-R260 PolarHBondContact O-N 3.26Å; R258-R260 VanDerWaalsContact O-N 3.11Å |
| 259 | L | 79.1 | Confident | 83.4 | Confident | 25 Ų | 25 | 68.6 Ų | 68.6 | 13% | 0.131 | 34% | 0.337 | C | S | . | . | trans | -80.6 | 89.6 | -174.9 | -54.5 | -175 | 0 | 0 | 0 | 112.4 | L8 L256 A261 R266 A269 | L8-L259 HydrophobicContact CD1-CD2 3.56Å; L8-L259 HydrophobicContact CD2-CD2 3.53Å; L8-L259 HydrophobicContact CG-CD2 4.21Å; L256-L259 HydrophobicContact CD2-CD1 4.2Å; L256-L259 PolarHBondContact O-N 3.2Å; L259-A261 PolarHBondContact O-N 2.9Å; L259-R266 HydrophobicContact CB-CB 4.4Å; L259-R266 HydrophobicContact CB-CG 3.75Å; L259-R266 HydrophobicContact CD1-CB 4.09Å; L259-R266 HydrophobicContact CD1-CG 4.36Å; L259-R266 WeakPolarHBondContact O-CD 3.37Å; L259-A269 HydrophobicContact CD1-CB 4.26Å | ||
| 260 | R | 69.6 | Low | 83.3 | Confident | 258 Ų | 258 | 65.3 Ų | 65.3 | 97% | 0.974 | 32% | 0.315 | S | S | * | . | trans | -77 | 64.4 | 174 | -64.8 | -174.5 | 178.9 | -178.5 | 0.4 | 112.4 | R258 | R258-R260 PolarHBondContact O-N 3.26Å; R258-R260 VanDerWaalsContact O-N 3.11Å | ||
| 261 | A | 76.9 | Confident | 83.3 | Confident | 50 Ų | 50 | 64.4 Ų | 64.4 | 41% | 0.413 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -135.1 | 167.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L259 D265 R266 | L259-A261 PolarHBondContact O-N 2.9Å; A261-D265 HydrophobicContact CB-CB 4.15Å; A261-R266 HydrophobicContact CB-CG 4.07Å |
| 262 | K | 81.4 | Confident | 83.4 | Confident | 160 Ų | 160 | 69.4 Ų | 69.4 | 70% | 0.696 | 33% | 0.332 | S | S | * | . | trans | -58.6 | 149.1 | 166.5 | -66.2 | -179.6 | 178.3 | -178.9 | 0 | 109.4 | T264 D265 R266 | K262-T264 PolarHBondContact O-N 3.44Å; K262-D265 PolarHBondContact O-N 2.74Å; K262-R266 PolarHBondContact O-N 3.41Å | ||
| 263 | K | 77.9 | Confident | 83.6 | Confident | 54 Ų | 54 | 69.4 Ų | 69.4 | 24% | 0.235 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -54.9 | -47 | -174.4 | -63.4 | -167.9 | -179.6 | -172.2 | 0 | 113.3 | S143 E147 D265 R266 K267 | S143-K263 PolarHBondContact O-NZ 2.93Å; S143-K263 WeakPolarHBondContact OG-CE 3.5Å; S143-K263 PolarHBondContact OG-NZ 3.3Å; E147-K263 VanDerWaalsContact CD-CB 3.41Å; E147-K263 WeakPolarHBondContact OE1-CB 3.49Å; E147-K263 WeakPolarHBondContact OE1-CD 3.3Å; E147-K263 IonicContact OE1-NZ 2.98Å; E147-K263 WeakPolarHBondContact OE2-CB 3.15Å; K263-D265 PolarHBondContact O-N 3.28Å; K263-D265 VanDerWaalsContact O-N 3.16Å; K263-R266 CarbonylContact O-C 3.59Å; K263-R266 WeakPolarHBondContact O-CA 3.33Å; K263-R266 WeakPolarHBondContact O-CB 3.34Å; K263-R266 PolarHBondContact O-N 3.35Å; K263-K267 WeakPolarHBondContact O-CB 3.34Å; K263-K267 PolarHBondContact O-N 2.75Å |
| 264 | T | 80.2 | Confident | 83.8 | Confident | 29 Ų | 29 | 62.4 Ų | 62.4 | 18% | 0.178 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.9 | -33.6 | 177.9 | 47.3 | 0 | 0 | 0 | 0 | 112.8 | E147 K262 K268 | E147-T264 HydrophobicContact CB-CG2 3.79Å; E147-T264 HydrophobicContact CG-CG2 3.8Å; E147-T264 VanDerWaalsContact OE2-CA 3.24Å; E147-T264 WeakPolarHBondContact OE2-CA 3.32Å; E147-T264 WeakPolarHBondContact OE2-CG2 3.37Å; E147-T264 PolarHBondContact OE2-N 2.98Å; K262-T264 PolarHBondContact O-N 3.44Å; T264-K268 WeakPolarHBondContact O-CD 3.31Å; T264-K268 VanDerWaalsContact O-CE 3.22Å; T264-K268 WeakPolarHBondContact O-CE 3.28Å; T264-K268 WeakPolarHBondContact O-CG 3.12Å; T264-K268 PolarHBondContact O-N 3.39Å; T264-K268 VanDerWaalsContact O-N 3.08Å |
| 265 | D | 82.4 | Confident | 84.2 | Confident | 67 Ų | 67 | 58.9 Ų | 58.9 | 36% | 0.358 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -81.3 | -32.1 | 177.4 | -57.8 | -38 | 0 | 0 | 0 | 112 | A261 K262 K263 K268 A269 | A261-D265 HydrophobicContact CB-CB 4.15Å; K262-D265 PolarHBondContact O-N 2.74Å; K263-D265 PolarHBondContact O-N 3.28Å; K263-D265 VanDerWaalsContact O-N 3.16Å; D265-K268 IonicContact OD1-NZ 3.79Å; D265-K268 PolarHBondContact OD1-NZ 3.35Å; D265-A269 VanDerWaalsContact O-CB 3.29Å; D265-A269 WeakPolarHBondContact O-CB 3.16Å; D265-A269 PolarHBondContact O-N 3.28Å |
| 266 | R | 85.1 | Confident | 84.8 | Confident | 55 Ų | 55 | 60.2 Ų | 60.2 | 21% | 0.208 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.5 | -46.6 | 166.2 | -65.1 | -162.1 | -101.5 | 132.8 | -12.3 | 111.2 | Y139 D141 L259 A261 K262 K263 A269 W270 | Y139-R266 PolarHBondContact OH-NH1 3.25Å; D141-R266 IonicContact OD2-CZ 3.88Å; D141-R266 IonicContact OD2-NH1 2.8Å; D141-R266 PolarHBondContact OD2-NH1 3.26Å; L259-R266 HydrophobicContact CB-CB 4.4Å; L259-R266 HydrophobicContact CB-CG 3.75Å; L259-R266 HydrophobicContact CD1-CB 4.09Å; L259-R266 HydrophobicContact CD1-CG 4.36Å; L259-R266 WeakPolarHBondContact O-CD 3.37Å; A261-R266 HydrophobicContact CB-CG 4.07Å; K262-R266 PolarHBondContact O-N 3.41Å; K263-R266 CarbonylContact O-C 3.59Å; K263-R266 WeakPolarHBondContact O-CA 3.33Å; K263-R266 WeakPolarHBondContact O-CB 3.34Å; K263-R266 PolarHBondContact O-N 3.35Å; R266-A269 PolarHBondContact O-N 3.36Å; R266-W270 WeakPolarHBondContact O-CB 3.29Å; R266-W270 PolarHBondContact O-N 3.1Å |
| 267 | K | 85.4 | Confident | 85.4 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64 | -41.8 | -178.5 | -170 | 171.5 | 174.4 | -175.5 | 0 | 111.8 | D136 Y139 F149 K263 F271 | D136-K267 IonicContact OD1-NZ 2.67Å; D136-K267 PolarHBondContact OD1-NZ 3.21Å; Y139-K267 HydrophobicContact CD1-CD 4.27Å; Y139-K267 HydrophobicContact CD1-CG 4.32Å; Y139-K267 HydrophobicContact CD2-CB 4.42Å; Y139-K267 HydrophobicContact CD2-CG 4.03Å; Y139-K267 HydrophobicContact CE1-CB 4.46Å; Y139-K267 HydrophobicContact CE2-CB 4.17Å; Y139-K267 HydrophobicContact CE2-CG 4.29Å; Y139-K267 HydrophobicContact CG-CD 4.36Å; Y139-K267 HydrophobicContact CG-CG 4.08Å; F149-K267 HydrophobicContact CD2-CB 4.23Å; F149-K267 HydrophobicContact CD2-CD 3.95Å; F149-K267 HydrophobicContact CD2-CG 3.78Å; F149-K267 HydrophobicContact CE2-CB 4.42Å; F149-K267 HydrophobicContact CE2-CG 3.95Å; F149-K267 HydrophobicContact CG-CD 4.35Å; K263-K267 WeakPolarHBondContact O-CB 3.34Å; K263-K267 PolarHBondContact O-N 2.75Å; K267-F271 HydrophobicContact CG-CD2 4.26Å; K267-F271 HydrophobicContact CG-CE2 3.7Å; K267-F271 WeakPolarHBondContact O-CD2 3.42Å; K267-F271 PolarHBondContact O-N 3.32Å |
| 268 | K | 85.8 | Confident | 86 | Confident | 50 Ų | 50 | 54.3 Ų | 54.3 | 22% | 0.217 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.6 | -50.9 | 169.1 | -68.6 | 161.1 | -149.7 | 161.3 | 0 | 111.8 | F149 T264 D265 W270 F271 I272 | F149-K268 HydrophobicContact CD2-CG 4.16Å; F149-K268 HydrophobicContact CE2-CB 4.47Å; F149-K268 HydrophobicContact CE2-CG 3.82Å; T264-K268 WeakPolarHBondContact O-CD 3.31Å; T264-K268 VanDerWaalsContact O-CE 3.22Å; T264-K268 WeakPolarHBondContact O-CE 3.28Å; T264-K268 WeakPolarHBondContact O-CG 3.12Å; T264-K268 PolarHBondContact O-N 3.39Å; T264-K268 VanDerWaalsContact O-N 3.08Å; D265-K268 IonicContact OD1-NZ 3.79Å; D265-K268 PolarHBondContact OD1-NZ 3.35Å; K268-W270 VanDerWaalsContact C-N 3.28Å; K268-W270 PolarHBondContact O-N 3.33Å; K268-F271 PolarHBondContact O-N 3.02Å; K268-I272 VanDerWaalsContact O-CG1 3.32Å; K268-I272 WeakPolarHBondContact O-CG1 3.42Å; K268-I272 PolarHBondContact O-N 3.4Å |
| 269 | A | 87.2 | Confident | 86.6 | Confident | 26 Ų | 26 | 48.2 Ų | 48.2 | 22% | 0.215 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.6 | -35.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L8 L259 D265 R266 T273 | L8-A269 HydrophobicContact CD1-CB 3.91Å; L259-A269 HydrophobicContact CD1-CB 4.26Å; D265-A269 VanDerWaalsContact O-CB 3.29Å; D265-A269 WeakPolarHBondContact O-CB 3.16Å; D265-A269 PolarHBondContact O-N 3.28Å; R266-A269 PolarHBondContact O-N 3.36Å; A269-T273 WeakPolarHBondContact O-CB 3.38Å; A269-T273 PolarHBondContact O-N 3.21Å; A269-T273 PolarHBondContact O-OG1 3.01Å |
| 270 | W | 89.1 | Confident | 87.4 | Confident | 6 Ų | 6 | 48.7 Ų | 48.7 | 2% | 0.023 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.4 | -55.7 | 171.9 | 171.9 | -109.3 | 0 | 0 | 0 | 111.9 | Y139 P140 L248 L251 G252 L256 R266 K268 I272 T273 M274 | Y139-W270 HydrophobicContact CD2-CB 4.3Å; Y139-W270 AromaticContact CD2-CD1 3.64Å; Y139-W270 HydrophobicContact CD2-CG 4.03Å; Y139-W270 HydrophobicContact CE2-CB 3.98Å; Y139-W270 HydrophobicContact CE2-CG 4.09Å; P140-W270 HydrophobicContact CG-CH2 4.3Å; P140-W270 HydrophobicContact CG-CZ2 3.66Å; L248-W270 HydrophobicContact CD2-CH2 3.84Å; L248-W270 HydrophobicContact CD2-CZ2 3.76Å; L251-W270 HydrophobicContact CG-CZ3 4.36Å; G252-W270 VanDerWaalsContact CA-CZ3 3.47Å; L256-W270 HydrophobicContact CD2-CB 4.08Å; L256-W270 HydrophobicContact CD2-CD2 4.12Å; L256-W270 HydrophobicContact CD2-CE3 3.88Å; L256-W270 HydrophobicContact CD2-CG 4.23Å; L256-W270 HydrophobicContact CG-CE3 4.2Å; R266-W270 WeakPolarHBondContact O-CB 3.29Å; R266-W270 PolarHBondContact O-N 3.1Å; K268-W270 VanDerWaalsContact C-N 3.28Å; K268-W270 PolarHBondContact O-N 3.33Å; W270-I272 PolarHBondContact O-N 3.19Å; W270-T273 PolarHBondContact O-N 3.38Å; W270-M274 WeakPolarHBondContact O-CB 3.22Å; W270-M274 PolarHBondContact O-N 3.3Å |
| 271 | F | 89.7 | Confident | 88.8 | Confident | 16 Ų | 16 | 36.4 Ų | 36.4 | 7% | 0.07 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67 | -35.1 | -177.3 | -65.5 | -55.5 | 0 | 0 | 0 | 113.3 | V135 C138 F149 K267 K268 T273 M274 E275 | V135-F271 HydrophobicContact CG1-CD2 4.31Å; V135-F271 HydrophobicContact CG1-CE2 3.33Å; V135-F271 HydrophobicContact CG1-CZ 3.65Å; C138-F271 HydrophobicContact CB-CE1 3.96Å; C138-F271 HydrophobicContact CB-CZ 4.09Å; F149-F271 HydrophobicContact CE1-CD2 4.36Å; F149-F271 AromaticContact CE2-CD2 3.77Å; F149-F271 HydrophobicContact CE2-CD2 3.77Å; F149-F271 HydrophobicContact CE2-CE2 4.15Å; F149-F271 AromaticContact CZ-CD2 3.48Å; F149-F271 HydrophobicContact CZ-CD2 3.48Å; F149-F271 VanDerWaalsContact CZ-CD2 3.48Å; F149-F271 AromaticContact CZ-CE2 3.95Å; F149-F271 HydrophobicContact CZ-CE2 3.95Å; K267-F271 HydrophobicContact CG-CD2 4.26Å; K267-F271 HydrophobicContact CG-CE2 3.7Å; K267-F271 WeakPolarHBondContact O-CD2 3.42Å; K267-F271 PolarHBondContact O-N 3.32Å; K268-F271 PolarHBondContact O-N 3.02Å; F271-T273 VanDerWaalsContact C-N 3.29Å; F271-T273 PolarHBondContact O-N 3.38Å; F271-M274 HydrophobicContact CB-CE 4.29Å; F271-M274 HydrophobicContact CD1-CE 3.59Å; F271-M274 HydrophobicContact CD1-SD 4.02Å; F271-M274 HydrophobicContact CE1-CE 4.46Å; F271-M274 HydrophobicContact CG-CE 4.39Å; F271-M274 PolarHBondContact O-N 3.05Å; F271-E275 PolarHBondContact O-N 3.08Å |
| 272 | I | 90 | Very high | 89.8 | Confident | 111 Ų | 111 | 34.6 Ų | 34.6 | 57% | 0.569 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -61.8 | -38.9 | 171 | -67 | 164.9 | 0 | 0 | 0 | 110.9 | K268 W270 A276 | K268-I272 VanDerWaalsContact O-CG1 3.32Å; K268-I272 WeakPolarHBondContact O-CG1 3.42Å; K268-I272 PolarHBondContact O-N 3.4Å; W270-I272 PolarHBondContact O-N 3.19Å; I272-A276 WeakPolarHBondContact O-CB 3.34Å; I272-A276 PolarHBondContact O-N 2.93Å |
| 273 | T | 91 | Very high | 90.4 | Very high | 7 Ų | 7 | 31 Ų | 31 | 4% | 0.043 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -75.4 | -34.9 | 179.6 | -52.6 | 0 | 0 | 0 | 0 | 112.6 | L8 L9 L255 A269 W270 F271 A276 A277 | L8-T273 HydrophobicContact CB-CG2 3.99Å; L8-T273 WeakPolarHBondContact CD1-OG1 3.31Å; L9-T273 HydrophobicContact CD1-CG2 4.47Å; L9-T273 HydrophobicContact CD2-CG2 3.51Å; L9-T273 HydrophobicContact CG-CG2 3.81Å; L255-T273 HydrophobicContact CD1-CG2 3.42Å; L255-T273 VanDerWaalsContact CD1-CG2 3.42Å; A269-T273 WeakPolarHBondContact O-CB 3.38Å; A269-T273 PolarHBondContact O-N 3.21Å; A269-T273 PolarHBondContact O-OG1 3.01Å; W270-T273 PolarHBondContact O-N 3.38Å; F271-T273 VanDerWaalsContact C-N 3.29Å; F271-T273 PolarHBondContact O-N 3.38Å; T273-A276 PolarHBondContact O-N 3.43Å; T273-A277 WeakPolarHBondContact O-CB 3.49Å; T273-A277 PolarHBondContact O-N 3.46Å |
| 274 | M | 92.8 | Very high | 91.3 | Very high | 11 Ų | 11 | 30.7 Ų | 30.7 | 5% | 0.054 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60 | -46 | 170.8 | 171.8 | -170.2 | 75.5 | 0 | 0 | 110.9 | Y168 M244 L248 W270 F271 A277 Y278 | Y168-M274 HydrophobicContact CD1-CG 4.45Å; Y168-M274 HydrophobicContact CD1-SD 4.22Å; M244-M274 HydrophobicContact CE-CG 3.96Å; L248-M274 HydrophobicContact CD2-CB 4.44Å; L248-M274 HydrophobicContact CD2-CG 4.04Å; W270-M274 WeakPolarHBondContact O-CB 3.22Å; W270-M274 PolarHBondContact O-N 3.3Å; F271-M274 HydrophobicContact CB-CE 4.29Å; F271-M274 HydrophobicContact CD1-CE 3.59Å; F271-M274 HydrophobicContact CD1-SD 4.02Å; F271-M274 HydrophobicContact CE1-CE 4.46Å; F271-M274 HydrophobicContact CG-CE 4.39Å; F271-M274 PolarHBondContact O-N 3.05Å; M274-A277 PolarHBondContact O-N 3.09Å; M274-Y278 WeakPolarHBondContact O-CB 3.3Å; M274-Y278 PolarHBondContact O-N 3.12Å |
| 275 | E | 94.1 | Very high | 92.2 | Very high | 26 Ų | 26 | 29.3 Ų | 29.3 | 12% | 0.121 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65 | -46.1 | 176.4 | 179 | 168.3 | -130.6 | 0 | 0 | 111.8 | Y168 R170 F271 A277 Y278 I279 N872 | Y168-E275 WeakPolarHBondContact O-CA 3.32Å; R170-E275 WeakPolarHBondContact CB-OE2 3.26Å; R170-E275 WeakPolarHBondContact CG-OE1 3.37Å; R170-E275 PolarHBondContact N-OE1 3.44Å; R170-E275 PolarHBondContact N-OE2 2.81Å; F271-E275 PolarHBondContact O-N 3.08Å; E275-A277 VanDerWaalsContact C-N 3.3Å; E275-A277 PolarHBondContact O-N 2.84Å; E275-Y278 PolarHBondContact O-N 3.35Å; E275-Y278 VanDerWaalsContact O-N 3.15Å; E275-I279 HydrophobicContact CG-CD1 3.81Å; E275-I279 HydrophobicContact CG-CG1 4.49Å; E275-I279 WeakPolarHBondContact O-CG1 3.43Å; E275-I279 PolarHBondContact O-N 2.66Å; E275-N872 PolarHBondContact OE1-ND2 2.82Å |
| 276 | A | 94.6 | Very high | 92.9 | Very high | 32 Ų | 32 | 28.5 Ų | 28.5 | 26% | 0.264 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -59.3 | -39.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L9 I272 T273 L280 | L9-A276 HydrophobicContact CD1-CB 4Å; I272-A276 WeakPolarHBondContact O-CB 3.34Å; I272-A276 PolarHBondContact O-N 2.93Å; T273-A276 PolarHBondContact O-N 3.43Å; A276-L280 WeakPolarHBondContact O-CG 3.3Å; A276-L280 PolarHBondContact O-N 3Å; A276-L280 VanDerWaalsContact O-N 3.14Å |
| 277 | A | 95.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.3 | -42.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L9 I17 L247 L251 T273 M274 E275 I279 L280 V281 | L9-A277 HydrophobicContact CD1-CB 4.05Å; I17-A277 HydrophobicContact CD1-CB 4Å; L247-A277 HydrophobicContact CD2-CB 4.42Å; L251-A277 HydrophobicContact CD2-CB 4.08Å; T273-A277 WeakPolarHBondContact O-CB 3.49Å; T273-A277 PolarHBondContact O-N 3.46Å; M274-A277 PolarHBondContact O-N 3.09Å; E275-A277 VanDerWaalsContact C-N 3.3Å; E275-A277 PolarHBondContact O-N 2.84Å; A277-I279 VanDerWaalsContact C-N 3.33Å; A277-I279 PolarHBondContact O-N 3.31Å; A277-L280 PolarHBondContact O-N 3.01Å; A277-V281 WeakPolarHBondContact O-CB 3.49Å; A277-V281 VanDerWaalsContact O-CG2 3.25Å; A277-V281 WeakPolarHBondContact O-CG2 3.32Å; A277-V281 PolarHBondContact O-N 3.27Å |
| 278 | Y | 96.4 | Very high | 93.9 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 0% | 0.004 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -68.7 | -30.1 | 179.3 | -172.6 | -129 | 0 | 0 | 0 | 113.5 | Y168 R169 R237 A240 N241 M244 M274 E275 Q282 | Y168-Y278 VanDerWaalsContact CB-CG 3.48Å; Y168-Y278 AromaticContact CD2-CD2 4Å; Y168-Y278 HydrophobicContact CD2-CD2 4Å; Y168-Y278 HydrophobicContact CD2-CE1 4.5Å; Y168-Y278 AromaticContact CD2-CE2 3.58Å; Y168-Y278 HydrophobicContact CD2-CE2 3.58Å; Y168-Y278 AromaticContact CD2-CZ 3.84Å; Y168-Y278 HydrophobicContact CG-CD2 4.25Å; Y168-Y278 HydrophobicContact CG-CE2 4.24Å; Y168-Y278 HydrophobicContact CG-CG 4.43Å; Y168-Y278 WeakPolarHBondContact O-CB 3.26Å; Y168-Y278 VanDerWaalsContact O-CD1 3.26Å; Y168-Y278 WeakPolarHBondContact O-CD1 3.48Å; R169-Y278 HydrophobicContact CG-CD1 3.64Å; R169-Y278 HydrophobicContact CG-CE1 3.72Å; R237-Y278 WeakPolarHBondContact CG-OH 3.37Å; A240-Y278 HydrophobicContact CB-CD2 4.02Å; A240-Y278 HydrophobicContact CB-CE2 3.55Å; N241-Y278 PolarHBondContact OD1-OH 2.79Å; M244-Y278 HydrophobicContact CG-CD2 3.48Å; M244-Y278 VanDerWaalsContact CG-CD2 3.48Å; M244-Y278 HydrophobicContact CG-CE2 4.07Å; M244-Y278 HydrophobicContact CG-CG 4.39Å; M244-Y278 HydrophobicContact SD-CD2 4.21Å; M274-Y278 WeakPolarHBondContact O-CB 3.3Å; M274-Y278 PolarHBondContact O-N 3.12Å; E275-Y278 PolarHBondContact O-N 3.35Å; E275-Y278 VanDerWaalsContact O-N 3.15Å; Y278-Q282 VanDerWaalsContact CD1-NE2 3.25Å; Y278-Q282 WeakPolarHBondContact O-CB 3.42Å; Y278-Q282 WeakPolarHBondContact O-CG 3.38Å; Y278-Q282 PolarHBondContact O-N 3.11Å; Y278-Q282 PolarHBondContact O-NE2 3.25Å |
| 279 | I | 95.3 | Very high | 94.5 | Very high | 28 Ų | 28 | 32 Ų | 32 | 14% | 0.144 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.1 | -55.3 | 170.4 | -71.2 | 161.4 | 0 | 0 | 0 | 109.5 | E275 A277 V281 Q282 E283 P871 | E275-I279 HydrophobicContact CG-CD1 3.81Å; E275-I279 HydrophobicContact CG-CG1 4.49Å; E275-I279 WeakPolarHBondContact O-CG1 3.43Å; E275-I279 PolarHBondContact O-N 2.66Å; A277-I279 VanDerWaalsContact C-N 3.33Å; A277-I279 PolarHBondContact O-N 3.31Å; I279-V281 PolarHBondContact O-N 2.81Å; I279-Q282 PolarHBondContact O-N 3.36Å; I279-E283 HydrophobicContact CG2-CG 4.25Å; I279-E283 VanDerWaalsContact CG2-OE1 3.31Å; I279-E283 WeakPolarHBondContact CG2-OE1 3.11Å; I279-E283 WeakPolarHBondContact O-CG 3.43Å; I279-E283 PolarHBondContact O-N 3.08Å; I279-P871 HydrophobicContact CD1-CB 4.29Å; I279-P871 HydrophobicContact CD1-CG 3.76Å; I279-P871 HydrophobicContact CG1-CB 4.28Å; I279-P871 HydrophobicContact CG1-CG 4.3Å; I279-P871 HydrophobicContact CG2-CB 3.72Å; I279-P871 HydrophobicContact CG2-CG 4.11Å |
| 280 | L | 96 | Very high | 95 | Very high | 35 Ų | 35 | 33 Ų | 33 | 18% | 0.183 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -56.3 | -35.7 | 178.3 | -71.8 | 168.8 | 0 | 0 | 0 | 113.1 | L9 I17 A276 A277 H284 | L9-L280 HydrophobicContact CD1-CD1 3.7Å; I17-L280 HydrophobicContact CG2-CB 4.4Å; A276-L280 WeakPolarHBondContact O-CG 3.3Å; A276-L280 PolarHBondContact O-N 3Å; A276-L280 VanDerWaalsContact O-N 3.14Å; A277-L280 PolarHBondContact O-N 3.01Å; L280-H284 WeakPolarHBondContact O-CB 3.2Å; L280-H284 PolarHBondContact O-N 3.35Å |
| 281 | V | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -69.1 | -45.1 | 174.5 | 167.2 | 0 | 0 | 0 | 0 | 111.7 | I17 A240 V243 L247 A277 I279 L285 | I17-V281 HydrophobicContact CG2-CG2 3.51Å; A240-V281 HydrophobicContact CB-CG1 3.72Å; V243-V281 HydrophobicContact CB-CG1 3.8Å; V243-V281 HydrophobicContact CG1-CG1 3.83Å; V243-V281 HydrophobicContact CG1-CG2 3.78Å; V243-V281 HydrophobicContact CG2-CG1 4.21Å; L247-V281 HydrophobicContact CD2-CG2 4.36Å; A277-V281 WeakPolarHBondContact O-CB 3.49Å; A277-V281 VanDerWaalsContact O-CG2 3.25Å; A277-V281 WeakPolarHBondContact O-CG2 3.32Å; A277-V281 PolarHBondContact O-N 3.27Å; I279-V281 PolarHBondContact O-N 2.81Å; V281-L285 HydrophobicContact CG1-CD1 3.63Å; V281-L285 HydrophobicContact CG1-CG 4.41Å; V281-L285 VanDerWaalsContact O-CB 3.28Å; V281-L285 WeakPolarHBondContact O-CB 3.44Å; V281-L285 WeakPolarHBondContact O-CD1 3.5Å; V281-L285 WeakPolarHBondContact O-CG 3.28Å; V281-L285 PolarHBondContact O-N 3.06Å |
| 282 | Q | 97.3 | Very high | 95.8 | Very high | 12 Ų | 12 | 35.5 Ų | 35.5 | 6% | 0.056 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66 | -39.7 | 177 | -79.5 | 168.8 | 111.1 | 0 | 0 | 112.2 | V236 A240 Y278 I279 L286 L874 | V236-Q282 HydrophobicContact CG1-CB 4.27Å; V236-Q282 HydrophobicContact CG1-CG 4.39Å; V236-Q282 WeakPolarHBondContact CG1-O 3.43Å; A240-Q282 HydrophobicContact CB-CG 3.64Å; Y278-Q282 VanDerWaalsContact CD1-NE2 3.25Å; Y278-Q282 WeakPolarHBondContact O-CB 3.42Å; Y278-Q282 WeakPolarHBondContact O-CG 3.38Å; Y278-Q282 PolarHBondContact O-N 3.11Å; Y278-Q282 PolarHBondContact O-NE2 3.25Å; I279-Q282 PolarHBondContact O-N 3.36Å; Q282-L286 VanDerWaalsContact O-CB 3.25Å; Q282-L286 WeakPolarHBondContact O-CB 3.49Å; Q282-L286 PolarHBondContact O-N 2.87Å; Q282-L874 HydrophobicContact CB-CD1 4.49Å |
| 283 | E | 95.8 | Very high | 96.1 | Very high | 84 Ų | 84 | 31.6 Ų | 31.6 | 39% | 0.393 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -60 | -51.8 | 176.5 | -71.6 | 169.6 | 164.8 | 0 | 0 | 110.9 | I279 L285 L286 | I279-E283 HydrophobicContact CG2-CG 4.25Å; I279-E283 VanDerWaalsContact CG2-OE1 3.31Å; I279-E283 WeakPolarHBondContact CG2-OE1 3.11Å; I279-E283 WeakPolarHBondContact O-CG 3.43Å; I279-E283 PolarHBondContact O-N 3.08Å; E283-L285 PolarHBondContact O-N 2.91Å; E283-L286 PolarHBondContact O-N 2.77Å |
| 284 | H | 95.8 | Very high | 96.4 | Very high | 48 Ų | 48 | 35.6 Ų | 35.6 | 22% | 0.222 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.4 | -43.5 | 179 | -169.8 | 98.2 | 0 | 0 | 0 | 112.4 | R18 A21 E22 L280 L286 G288 | R18-H284 HydrophobicContact CG-CB 4.26Å; A21-H284 HydrophobicContact CB-CB 4.49Å; E22-H284 IonicContact OE2-CD2 3.69Å; E22-H284 IonicContact OE2-CE1 3.23Å; E22-H284 IonicContact OE2-NE2 3.65Å; E22-H284 PolarHBondContact OE2-NE2 3.06Å; L280-H284 WeakPolarHBondContact O-CB 3.2Å; L280-H284 PolarHBondContact O-N 3.35Å; H284-L286 VanDerWaalsContact C-N 3.34Å; H284-L286 PolarHBondContact O-N 2.8Å; H284-G288 PolarHBondContact O-N 2.92Å |
| 285 | L | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -69.4 | -28.9 | 178.9 | -72.7 | 171 | 0 | 0 | 0 | 113.3 | A21 L25 V236 M239 A240 V243 V281 E283 L289 | A21-L285 HydrophobicContact CB-CD2 4.33Å; A21-L285 HydrophobicContact CB-CG 4.21Å; L25-L285 HydrophobicContact CB-CD2 4.04Å; V236-L285 HydrophobicContact CG1-CB 4.12Å; M239-L285 HydrophobicContact CB-CD1 3.78Å; M239-L285 HydrophobicContact CB-CD2 4.31Å; A240-L285 HydrophobicContact CB-CD1 3.95Å; A240-L285 VanDerWaalsContact N-CD1 3.32Å; V243-L285 HydrophobicContact CG2-CD1 4.21Å; V281-L285 HydrophobicContact CG1-CD1 3.63Å; V281-L285 HydrophobicContact CG1-CG 4.41Å; V281-L285 VanDerWaalsContact O-CB 3.28Å; V281-L285 WeakPolarHBondContact O-CB 3.44Å; V281-L285 WeakPolarHBondContact O-CD1 3.5Å; V281-L285 WeakPolarHBondContact O-CG 3.28Å; V281-L285 PolarHBondContact O-N 3.06Å; E283-L285 PolarHBondContact O-N 2.91Å; L285-L289 HydrophobicContact CB-CD1 4.3Å; L285-L289 WeakPolarHBondContact O-CB 3.32Å; L285-L289 WeakPolarHBondContact O-CD1 3.39Å; L285-L289 VanDerWaalsContact O-CG 3.29Å; L285-L289 WeakPolarHBondContact O-CG 3.3Å; L285-L289 PolarHBondContact O-N 3.14Å |
| 286 | L | 97.3 | Very high | 96.7 | Very high | 51 Ų | 51 | 38.6 Ų | 38.6 | 27% | 0.267 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.9 | -48 | 177.9 | 176.3 | 64.4 | 0 | 0 | 0 | 111.1 | V236 Q282 E283 H284 A290 L874 V876 | V236-L286 HydrophobicContact CG1-CB 4.21Å; V236-L286 HydrophobicContact CG2-CB 4.39Å; V236-L286 HydrophobicContact CG2-CD1 3.92Å; Q282-L286 VanDerWaalsContact O-CB 3.25Å; Q282-L286 WeakPolarHBondContact O-CB 3.49Å; Q282-L286 PolarHBondContact O-N 2.87Å; E283-L286 PolarHBondContact O-N 2.77Å; H284-L286 VanDerWaalsContact C-N 3.34Å; H284-L286 PolarHBondContact O-N 2.8Å; L286-A290 VanDerWaalsContact O-CB 3.28Å; L286-A290 WeakPolarHBondContact O-CB 3.35Å; L286-A290 PolarHBondContact O-N 3.49Å; L286-A290 VanDerWaalsContact O-N 3.12Å; L286-L874 HydrophobicContact CD2-CD1 4.49Å; L286-L874 HydrophobicContact CD2-CD2 3.96Å; L286-V876 HydrophobicContact CD1-CG2 3.93Å |
| 287 | E | 95.8 | Very high | 96.8 | Very high | 156 Ų | 156 | 39.2 Ų | 39.2 | 73% | 0.729 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -65.8 | -48.9 | 178.2 | -64 | -175.2 | 178.1 | 0 | 0 | 111.3 | A290 A291 | E287-A290 PolarHBondContact O-N 3.41Å; E287-A291 PolarHBondContact O-N 3.07Å |
| 288 | G | 96.9 | Very high | 96.8 | Very high | 17 Ų | 17 | 42.6 Ų | 42.6 | 18% | 0.175 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.8 | -41.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114 | H284 A291 L292 | H284-G288 PolarHBondContact O-N 2.92Å; G288-A291 PolarHBondContact O-N 3.43Å; G288-L292 WeakPolarHBondContact O-CB 3.49Å; G288-L292 PolarHBondContact O-N 3.22Å |
| 289 | L | 97.4 | Very high | 96.7 | Very high | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69.4 | -34.2 | 175.6 | -74.1 | 164.8 | 0 | 0 | 0 | 112 | L25 F28 V236 M239 L285 K293 | L25-L289 HydrophobicContact CD1-CD2 3.56Å; L25-L289 HydrophobicContact CD1-CG 3.91Å; F28-L289 HydrophobicContact CE1-CD2 4.2Å; V236-L289 HydrophobicContact CB-CD1 4.29Å; V236-L289 HydrophobicContact CG2-CD1 3.91Å; M239-L289 HydrophobicContact CB-CD1 4.15Å; M239-L289 HydrophobicContact CG-CD1 4.01Å; M239-L289 HydrophobicContact CG-CD2 4.32Å; L285-L289 HydrophobicContact CB-CD1 4.3Å; L285-L289 WeakPolarHBondContact O-CB 3.32Å; L285-L289 WeakPolarHBondContact O-CD1 3.39Å; L285-L289 VanDerWaalsContact O-CG 3.29Å; L285-L289 WeakPolarHBondContact O-CG 3.3Å; L285-L289 PolarHBondContact O-N 3.14Å; L289-K293 WeakPolarHBondContact O-CB 3.33Å; L289-K293 VanDerWaalsContact O-CG 3.31Å; L289-K293 WeakPolarHBondContact O-CG 3.47Å; L289-K293 PolarHBondContact O-N 2.92Å |
| 290 | A | 97.3 | Very high | 96.6 | Very high | 49 Ų | 49 | 43.7 Ų | 43.7 | 41% | 0.405 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.5 | -46.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L286 E287 L292 K293 E294 | L286-A290 VanDerWaalsContact O-CB 3.28Å; L286-A290 WeakPolarHBondContact O-CB 3.35Å; L286-A290 PolarHBondContact O-N 3.49Å; L286-A290 VanDerWaalsContact O-N 3.12Å; E287-A290 PolarHBondContact O-N 3.41Å; A290-L292 PolarHBondContact O-N 2.88Å; A290-K293 PolarHBondContact O-N 2.83Å; A290-E294 PolarHBondContact O-N 3.45Å; A290-E294 VanDerWaalsContact O-N 3.1Å |
| 291 | A | 97.8 | Very high | 96.4 | Very high | 66 Ų | 66 | 49.8 Ų | 49.8 | 55% | 0.545 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.4 | -47.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | E287 G288 K293 E294 E295 | E287-A291 PolarHBondContact O-N 3.07Å; G288-A291 PolarHBondContact O-N 3.43Å; A291-K293 VanDerWaalsContact C-N 3.33Å; A291-K293 PolarHBondContact O-N 2.99Å; A291-E294 PolarHBondContact O-N 3.05Å; A291-E295 PolarHBondContact O-N 2.96Å |
| 292 | L | 98 | Very high | 96.1 | Very high | 8 Ų | 8 | 56.8 Ų | 56.8 | 4% | 0.042 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.7 | -37.6 | 177.5 | 179.5 | 62.9 | 0 | 0 | 0 | 112.7 | L25 A29 Y32 R33 G288 A290 C296 | L25-L292 HydrophobicContact CD1-CD2 4.11Å; A29-L292 HydrophobicContact CB-CD1 3.82Å; A29-L292 HydrophobicContact CB-CD2 3.75Å; A29-L292 HydrophobicContact CB-CG 4.45Å; Y32-L292 HydrophobicContact CD1-CD2 3.79Å; Y32-L292 HydrophobicContact CD1-CG 3.84Å; Y32-L292 HydrophobicContact CE1-CG 4.47Å; Y32-L292 HydrophobicContact CG-CD2 4.34Å; R33-L292 HydrophobicContact CG-CD1 4.09Å; G288-L292 WeakPolarHBondContact O-CB 3.49Å; G288-L292 PolarHBondContact O-N 3.22Å; A290-L292 PolarHBondContact O-N 2.88Å; L292-C296 PolarHBondContact O-N 3.22Å; L292-C296 PolarHBondContact O-SG 3.29Å |
| 293 | K | 97.3 | Very high | 95.8 | Very high | 29 Ų | 29 | 57.8 Ų | 57.8 | 13% | 0.126 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65 | -43.6 | 175.1 | -81.2 | -179.7 | 176.6 | -162.8 | 0 | 112.8 | Y32 E207 D235 L289 A290 A291 C296 K297 | Y32-K293 HydrophobicContact CE1-CG 3.97Å; E207-K293 WeakPolarHBondContact OE2-CD 3.35Å; E207-K293 WeakPolarHBondContact OE2-CE 3.11Å; E207-K293 IonicContact OE2-NZ 2.74Å; E207-K293 PolarHBondContact OE2-NZ 3.45Å; D235-K293 VanDerWaalsContact OD2-CE 3.3Å; D235-K293 WeakPolarHBondContact OD2-CE 3.22Å; D235-K293 IonicContact OD2-NZ 3.72Å; D235-K293 PolarHBondContact OD2-NZ 3.06Å; L289-K293 WeakPolarHBondContact O-CB 3.33Å; L289-K293 VanDerWaalsContact O-CG 3.31Å; L289-K293 WeakPolarHBondContact O-CG 3.47Å; L289-K293 PolarHBondContact O-N 2.92Å; A290-K293 PolarHBondContact O-N 2.83Å; A291-K293 VanDerWaalsContact C-N 3.33Å; A291-K293 PolarHBondContact O-N 2.99Å; K293-C296 PolarHBondContact O-N 3.45Å; K293-K297 VanDerWaalsContact O-CG 3.3Å; K293-K297 WeakPolarHBondContact O-CG 3.28Å; K293-K297 PolarHBondContact O-N 2.94Å |
| 294 | E | 97.3 | Very high | 95.6 | Very high | 91 Ų | 91 | 55.8 Ų | 55.8 | 43% | 0.425 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -69.8 | -34.7 | 177.9 | -65 | -50.6 | 127.4 | 0 | 0 | 111.9 | A290 A291 K297 V298 | A290-E294 PolarHBondContact O-N 3.45Å; A290-E294 VanDerWaalsContact O-N 3.1Å; A291-E294 PolarHBondContact O-N 3.05Å; E294-K297 PolarHBondContact O-N 3.29Å; E294-K297 VanDerWaalsContact OE1-CD 3.27Å; E294-K297 WeakPolarHBondContact OE1-CD 3.36Å; E294-K297 WeakPolarHBondContact OE1-CE 3.23Å; E294-K297 IonicContact OE1-NZ 2.84Å; E294-K297 PolarHBondContact OE1-NZ 2.88Å; E294-K297 WeakPolarHBondContact OE2-CD 3.45Å; E294-V298 WeakPolarHBondContact O-CG2 3.34Å; E294-V298 PolarHBondContact O-N 2.84Å |
| 295 | E | 97.1 | Very high | 95.4 | Very high | 93 Ų | 93 | 58.9 Ų | 58.9 | 44% | 0.435 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -57 | -50.4 | 169.5 | -166.9 | -158.4 | 137.5 | 0 | 0 | 111.5 | R33 A291 K297 V298 S299 | R33-E295 IonicContact CZ-OE1 2.9Å; R33-E295 IonicContact CZ-OE2 2.76Å; R33-E295 IonicContact NE-OE1 3.45Å; R33-E295 PolarHBondContact NE-OE1 3.48Å; R33-E295 IonicContact NE-OE2 3.5Å; R33-E295 PolarHBondContact NE-OE2 3.36Å; R33-E295 IonicContact NH2-OE1 2.86Å; R33-E295 PolarHBondContact NH2-OE1 2.76Å; R33-E295 IonicContact NH2-OE2 3.59Å; R33-E295 PolarHBondContact NH2-OE2 2.76Å; A291-E295 PolarHBondContact O-N 2.96Å; E295-K297 PolarHBondContact O-N 2.99Å; E295-V298 PolarHBondContact O-N 2.9Å; E295-S299 PolarHBondContact O-N 3.42Å |
| 296 | C | 96.8 | Very high | 95.2 | Very high | 6 Ų | 6 | 61.5 Ų | 61.5 | 4% | 0.041 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.8 | -44.2 | 175.2 | -72 | 0 | 0 | 0 | 0 | 112.3 | F36 L292 K293 V298 S299 I300 | F36-C296 HydrophobicContact CB-CB 4.16Å; F36-C296 HydrophobicContact CD1-CB 3.82Å; F36-C296 HydrophobicContact CD2-CB 3.73Å; F36-C296 HydrophobicContact CE1-CB 4.06Å; F36-C296 HydrophobicContact CE2-CB 3.96Å; F36-C296 HydrophobicContact CG-CB 3.65Å; F36-C296 HydrophobicContact CZ-CB 4.13Å; L292-C296 PolarHBondContact O-N 3.22Å; L292-C296 PolarHBondContact O-SG 3.29Å; K293-C296 PolarHBondContact O-N 3.45Å; C296-V298 PolarHBondContact O-N 3.12Å; C296-S299 PolarHBondContact O-N 2.86Å; C296-I300 WeakPolarHBondContact O-CB 3.37Å; C296-I300 WeakPolarHBondContact O-CG1 3.43Å; C296-I300 PolarHBondContact O-N 2.81Å |
| 297 | K | 95.8 | Very high | 94.9 | Very high | 46 Ų | 46 | 59.1 Ų | 59.1 | 20% | 0.2 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.8 | -39.6 | 178.2 | -71.9 | 165.2 | -169.5 | 175.9 | 0 | 112.8 | F36 E207 K293 E294 E295 R301 | F36-K297 HydrophobicContact CE1-CG 4.46Å; F36-K297 HydrophobicContact CZ-CG 3.96Å; E207-K297 WeakPolarHBondContact OE1-CE 3.44Å; E207-K297 IonicContact OE1-NZ 2.79Å; E207-K297 PolarHBondContact OE1-NZ 2.79Å; K293-K297 VanDerWaalsContact O-CG 3.3Å; K293-K297 WeakPolarHBondContact O-CG 3.28Å; K293-K297 PolarHBondContact O-N 2.94Å; E294-K297 PolarHBondContact O-N 3.29Å; E294-K297 VanDerWaalsContact OE1-CD 3.27Å; E294-K297 WeakPolarHBondContact OE1-CD 3.36Å; E294-K297 WeakPolarHBondContact OE1-CE 3.23Å; E294-K297 IonicContact OE1-NZ 2.84Å; E294-K297 PolarHBondContact OE1-NZ 2.88Å; E294-K297 WeakPolarHBondContact OE2-CD 3.45Å; E295-K297 PolarHBondContact O-N 2.99Å; K297-R301 VanDerWaalsContact O-CG 3.31Å; K297-R301 WeakPolarHBondContact O-CG 3.31Å; K297-R301 PolarHBondContact O-N 3.17Å |
| 298 | V | 96 | Very high | 94.7 | Very high | 71 Ų | 71 | 57.5 Ų | 57.5 | 43% | 0.43 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.3 | -45.3 | 176.5 | 170.4 | 0 | 0 | 0 | 0 | 110.6 | E294 E295 C296 I300 R301 Q302 | E294-V298 WeakPolarHBondContact O-CG2 3.34Å; E294-V298 PolarHBondContact O-N 2.84Å; E295-V298 PolarHBondContact O-N 2.9Å; C296-V298 PolarHBondContact O-N 3.12Å; V298-I300 PolarHBondContact O-N 2.85Å; V298-R301 PolarHBondContact O-N 3.5Å; V298-Q302 WeakPolarHBondContact O-CG 3.26Å; V298-Q302 PolarHBondContact O-N 3.12Å |
| 299 | S | 93.6 | Very high | 94.6 | Very high | 42 Ų | 42 | 60.1 Ų | 60.1 | 29% | 0.294 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -58.7 | -46.3 | 175.1 | -174.9 | 0 | 0 | 0 | 0 | 111.9 | E295 C296 R301 Q302 Q303 | E295-S299 PolarHBondContact O-N 3.42Å; C296-S299 PolarHBondContact O-N 2.86Å; S299-R301 PolarHBondContact O-N 3.01Å; S299-Q302 WeakPolarHBondContact O-CB 3.49Å; S299-Q302 PolarHBondContact O-N 2.89Å; S299-Q303 WeakPolarHBondContact O-CG 3.36Å; S299-Q303 PolarHBondContact O-N 2.95Å; S299-Q303 VanDerWaalsContact O-N 3.11Å |
| 300 | I | 93.3 | Very high | 94.5 | Very high | 10 Ų | 10 | 61.5 Ų | 61.5 | 5% | 0.051 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.2 | -47 | 175.7 | -77.3 | -58.3 | 0 | 0 | 0 | 112.4 | F36 R40 C296 V298 Q302 Q303 E304 M307 | F36-I300 HydrophobicContact CD1-CD1 4.28Å; F36-I300 HydrophobicContact CD1-CG1 3.57Å; F36-I300 HydrophobicContact CE1-CG1 3.73Å; R40-I300 HydrophobicContact CB-CD1 3.83Å; R40-I300 HydrophobicContact CB-CG1 4.4Å; R40-I300 HydrophobicContact CG-CD1 4.15Å; R40-I300 HydrophobicContact CG-CG2 3.84Å; C296-I300 WeakPolarHBondContact O-CB 3.37Å; C296-I300 WeakPolarHBondContact O-CG1 3.43Å; C296-I300 PolarHBondContact O-N 2.81Å; V298-I300 PolarHBondContact O-N 2.85Å; I300-Q302 PolarHBondContact O-N 3.2Å; I300-Q303 CarbonylContact O-C 3.51Å; I300-Q303 WeakPolarHBondContact O-CA 3.33Å; I300-Q303 PolarHBondContact O-N 2.99Å; I300-E304 WeakPolarHBondContact O-CB 3.01Å; I300-E304 PolarHBondContact O-N 3.45Å; I300-M307 HydrophobicContact CD1-SD 4.42Å |
| 301 | R | 92.7 | Very high | 94.3 | Very high | 162 Ų | 162 | 60 Ų | 60 | 61% | 0.611 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -60.1 | -28.4 | -179.8 | -73.1 | 169.1 | -174.3 | 155.3 | 4.8 | 112.8 | K297 V298 S299 | K297-R301 VanDerWaalsContact O-CG 3.31Å; K297-R301 WeakPolarHBondContact O-CG 3.31Å; K297-R301 PolarHBondContact O-N 3.17Å; V298-R301 PolarHBondContact O-N 3.5Å; S299-R301 PolarHBondContact O-N 3.01Å |
| 302 | Q | 90.7 | Very high | 94.1 | Very high | 148 Ų | 148 | 62.9 Ų | 62.9 | 69% | 0.692 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -77.3 | -33.1 | 174.1 | -63.3 | 169.4 | 7.2 | 0 | 0 | 112 | V298 S299 I300 | V298-Q302 WeakPolarHBondContact O-CG 3.26Å; V298-Q302 PolarHBondContact O-N 3.12Å; S299-Q302 WeakPolarHBondContact O-CB 3.49Å; S299-Q302 PolarHBondContact O-N 2.89Å; I300-Q302 PolarHBondContact O-N 3.2Å |
| 303 | Q | 91.8 | Very high | 94 | Very high | 32 Ų | 32 | 66.5 Ų | 66.5 | 15% | 0.15 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -86.9 | -19.7 | -178.9 | -68.3 | 179.2 | 4.8 | 0 | 0 | 113.9 | S299 I300 V305 L306 M307 N526 F527 | S299-Q303 WeakPolarHBondContact O-CG 3.36Å; S299-Q303 PolarHBondContact O-N 2.95Å; S299-Q303 VanDerWaalsContact O-N 3.11Å; I300-Q303 CarbonylContact O-C 3.51Å; I300-Q303 WeakPolarHBondContact O-CA 3.33Å; I300-Q303 PolarHBondContact O-N 2.99Å; Q303-V305 PolarHBondContact O-N 3.3Å; Q303-V305 VanDerWaalsContact O-N 3.13Å; Q303-L306 WeakPolarHBondContact O-CB 3.46Å; Q303-L306 PolarHBondContact O-N 3.26Å; Q303-M307 HydrophobicContact CB-SD 4.22Å; Q303-M307 WeakPolarHBondContact O-CG 3.47Å; Q303-M307 PolarHBondContact O-N 3.15Å; Q303-N526 PolarHBondContact NE2-ND2 3.23Å; Q303-F527 HydrophobicContact CB-CE1 4.01Å; Q303-F527 HydrophobicContact CB-CZ 3.99Å; Q303-F527 HydrophobicContact CG-CZ 4.37Å |
| 304 | E | 90.8 | Very high | 93.9 | Very high | 43 Ų | 43 | 65.1 Ų | 65.1 | 20% | 0.201 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.9 | -25.5 | -169.7 | -151.1 | -178.7 | 165.9 | 0 | 0 | 114.1 | R40 I300 R308 | R40-E304 IonicContact CZ-OE1 3.75Å; R40-E304 IonicContact NE-OE1 2.65Å; R40-E304 IonicContact NH2-OE1 3.83Å; R40-E304 PolarHBondContact NH2-OE1 2.78Å; I300-E304 WeakPolarHBondContact O-CB 3.01Å; I300-E304 PolarHBondContact O-N 3.45Å; E304-R308 VanDerWaalsContact CD-NH1 3.27Å; E304-R308 PolarHBondContact O-N 3.4Å; E304-R308 IonicContact OE1-CZ 2.72Å; E304-R308 VanDerWaalsContact OE1-CZ 3.23Å; E304-R308 IonicContact OE1-NH1 3.31Å; E304-R308 PolarHBondContact OE1-NH1 3.2Å; E304-R308 IonicContact OE1-NH2 3.51Å; E304-R308 PolarHBondContact OE1-NH2 2.95Å |
| 305 | V | 92.5 | Very high | 93.8 | Very high | 113 Ų | 113 | 62 Ų | 62 | 69% | 0.685 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -68.3 | -50.9 | 172.4 | 179.7 | 0 | 0 | 0 | 0 | 110.5 | Q303 M307 R308 S309 | Q303-V305 PolarHBondContact O-N 3.3Å; Q303-V305 VanDerWaalsContact O-N 3.13Å; V305-M307 VanDerWaalsContact C-N 3.31Å; V305-M307 PolarHBondContact O-N 3.29Å; V305-R308 PolarHBondContact O-N 2.78Å; V305-R308 VanDerWaalsContact O-N 3.1Å; V305-S309 PolarHBondContact O-N 2.9Å; V305-S309 PolarHBondContact O-OG 2.87Å |
| 306 | L | 92.9 | Very high | 93.7 | Very high | 55 Ų | 55 | 60.5 Ų | 60.5 | 29% | 0.288 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.4 | -41.3 | 178.3 | -178.1 | 66.3 | 0 | 0 | 0 | 111.3 | Q303 R308 S309 D310 F527 | Q303-L306 WeakPolarHBondContact O-CB 3.46Å; Q303-L306 PolarHBondContact O-N 3.26Å; L306-R308 PolarHBondContact O-N 3.2Å; L306-S309 WeakPolarHBondContact CA-OG 3.29Å; L306-S309 PolarHBondContact O-N 3.06Å; L306-S309 PolarHBondContact O-OG 3.37Å; L306-D310 HydrophobicContact CD1-CB 4.14Å; L306-D310 WeakPolarHBondContact O-CB 3.33Å; L306-D310 PolarHBondContact O-N 3.04Å; L306-F527 HydrophobicContact CD2-CE2 4.03Å; L306-F527 HydrophobicContact CD2-CZ 4.29Å; L306-F527 HydrophobicContact CG-CE2 4.4Å |
| 307 | M | 91.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.5 | -30.5 | 176.9 | -65.5 | 167.5 | 70 | 0 | 0 | 113.1 | R40 F41 I300 Q303 V305 F527 | R40-M307 HydrophobicContact CB-CE 4.05Å; R40-M307 HydrophobicContact CG-CE 3.8Å; F41-M307 VanDerWaalsContact CA-CE 3.42Å; F41-M307 HydrophobicContact CB-CE 3.83Å; F41-M307 HydrophobicContact CD2-CB 4.45Å; F41-M307 HydrophobicContact CD2-CE 4.22Å; F41-M307 HydrophobicContact CD2-CG 4.46Å; F41-M307 VanDerWaalsContact N-CE 3.34Å; I300-M307 HydrophobicContact CD1-SD 4.42Å; Q303-M307 HydrophobicContact CB-SD 4.22Å; Q303-M307 WeakPolarHBondContact O-CG 3.47Å; Q303-M307 PolarHBondContact O-N 3.15Å; V305-M307 VanDerWaalsContact C-N 3.31Å; V305-M307 PolarHBondContact O-N 3.29Å; M307-F527 HydrophobicContact CE-CD1 4.32Å; M307-F527 HydrophobicContact CE-CE1 4.41Å; M307-F527 HydrophobicContact CG-CD1 3.79Å; M307-F527 HydrophobicContact CG-CE1 3.3Å; M307-F527 HydrophobicContact CG-CE2 4.16Å; M307-F527 HydrophobicContact CG-CG 4.42Å; M307-F527 HydrophobicContact CG-CZ 3.52Å; M307-F527 HydrophobicContact SD-CD1 4.11Å; M307-F527 HydrophobicContact SD-CE1 3.62Å; M307-F527 HydrophobicContact SD-CZ 4.33Å |
| 308 | R | 91.7 | Very high | 93.7 | Very high | 122 Ų | 122 | 61.8 Ų | 61.8 | 46% | 0.46 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -92.9 | -31.4 | 178.1 | -71.6 | -167.4 | 179.2 | 99.4 | 7.4 | 113.6 | V44 E47 E304 V305 L306 | V44-R308 HydrophobicContact CG1-CG 3.96Å; E47-R308 IonicContact OE2-NH2 3.46Å; E304-R308 VanDerWaalsContact CD-NH1 3.27Å; E304-R308 PolarHBondContact O-N 3.4Å; E304-R308 IonicContact OE1-CZ 2.72Å; E304-R308 VanDerWaalsContact OE1-CZ 3.23Å; E304-R308 IonicContact OE1-NH1 3.31Å; E304-R308 PolarHBondContact OE1-NH1 3.2Å; E304-R308 IonicContact OE1-NH2 3.51Å; E304-R308 PolarHBondContact OE1-NH2 2.95Å; V305-R308 PolarHBondContact O-N 2.78Å; V305-R308 VanDerWaalsContact O-N 3.1Å; L306-R308 PolarHBondContact O-N 3.2Å |
| 309 | S | 93.4 | Very high | 93.6 | Very high | 72 Ų | 72 | 64.5 Ų | 64.5 | 50% | 0.503 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -75.8 | -35.6 | 177.3 | 61.6 | 0 | 0 | 0 | 0 | 113 | V305 L306 | V305-S309 PolarHBondContact O-N 2.9Å; V305-S309 PolarHBondContact O-OG 2.87Å; L306-S309 WeakPolarHBondContact CA-OG 3.29Å; L306-S309 PolarHBondContact O-N 3.06Å; L306-S309 PolarHBondContact O-OG 3.37Å |
| 310 | D | 95.2 | Very high | 93.8 | Very high | 34 Ų | 34 | 66 Ų | 66 | 18% | 0.182 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -110.9 | 18.6 | -170.4 | -69.4 | 46.2 | 0 | 0 | 0 | 112.1 | L306 D312 Q313 I314 Y524 | L306-D310 HydrophobicContact CD1-CB 4.14Å; L306-D310 WeakPolarHBondContact O-CB 3.33Å; L306-D310 PolarHBondContact O-N 3.04Å; D310-D312 PolarHBondContact O-N 2.94Å; D310-Q313 HydrophobicContact CB-CB 4.4Å; D310-Q313 WeakPolarHBondContact O-CB 3.49Å; D310-Q313 PolarHBondContact O-N 2.83Å; D310-Q313 PolarHBondContact O-OE1 2.85Å; D310-I314 HydrophobicContact CB-CD1 4.16Å; D310-I314 HydrophobicContact CB-CG1 4.39Å; D310-I314 WeakPolarHBondContact O-CD1 3.43Å; D310-I314 VanDerWaalsContact O-CG1 3.27Å; D310-I314 WeakPolarHBondContact O-CG1 3.43Å; D310-I314 PolarHBondContact O-N 3.03Å; D310-Y524 HydrophobicContact CB-CE1 3.81Å; D310-Y524 PolarHBondContact OD2-OH 3.45Å |
| 311 | M | 93.9 | Very high | 93.9 | Very high | 18 Ų | 18 | 65.6 Ų | 65.6 | 9% | 0.089 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -49.6 | -52.6 | -176.5 | 176.3 | 58 | 73.2 | 0 | 0 | 112.1 | F41 V44 L48 Q313 I314 L315 | F41-M311 HydrophobicContact CD2-CE 4.36Å; F41-M311 HydrophobicContact CE1-SD 4.23Å; F41-M311 HydrophobicContact CE2-CE 3.74Å; F41-M311 HydrophobicContact CE2-SD 3.63Å; F41-M311 HydrophobicContact CZ-CE 4.01Å; F41-M311 HydrophobicContact CZ-SD 3.35Å; F41-M311 WeakPolarHBondContact CZ-SD 3.32Å; V44-M311 HydrophobicContact CB-CE 4.23Å; V44-M311 HydrophobicContact CG1-CE 3.74Å; L48-M311 HydrophobicContact CD1-CE 4.18Å; L48-M311 HydrophobicContact CD1-CG 4.37Å; M311-Q313 VanDerWaalsContact C-N 3.32Å; M311-Q313 PolarHBondContact O-N 3.04Å; M311-I314 PolarHBondContact O-N 2.86Å; M311-L315 HydrophobicContact CG-CD1 3.92Å; M311-L315 HydrophobicContact CG-CG 4.47Å; M311-L315 WeakPolarHBondContact O-CB 3.23Å; M311-L315 WeakPolarHBondContact O-CG 3.33Å; M311-L315 PolarHBondContact O-N 2.9Å; M311-L315 HydrophobicContact SD-CD1 3.74Å; M311-L315 HydrophobicContact SD-CD2 4.4Å; M311-L315 HydrophobicContact SD-CG 3.88Å |
| 312 | D | 93.7 | Very high | 94.1 | Very high | 125 Ų | 125 | 60.2 Ų | 60.2 | 67% | 0.668 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -64.9 | -34.4 | -179.8 | -75.1 | -41.7 | 0 | 0 | 0 | 112.9 | D310 N316 | D310-D312 PolarHBondContact O-N 2.94Å; D312-N316 WeakPolarHBondContact O-CB 3.34Å; D312-N316 PolarHBondContact O-N 3.48Å |
| 313 | Q | 95.7 | Very high | 94.4 | Very high | 85 Ų | 85 | 58.5 Ų | 58.5 | 40% | 0.397 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -70.3 | -41.8 | 178.3 | -61.4 | 86.7 | -46.7 | 0 | 0 | 110.9 | D310 M311 T317 Y524 | D310-Q313 HydrophobicContact CB-CB 4.4Å; D310-Q313 WeakPolarHBondContact O-CB 3.49Å; D310-Q313 PolarHBondContact O-N 2.83Å; D310-Q313 PolarHBondContact O-OE1 2.85Å; M311-Q313 VanDerWaalsContact C-N 3.32Å; M311-Q313 PolarHBondContact O-N 3.04Å; Q313-T317 WeakPolarHBondContact O-CB 3.31Å; Q313-T317 PolarHBondContact O-N 3.06Å; Q313-T317 PolarHBondContact O-OG1 3.17Å; Q313-Y524 HydrophobicContact CB-CE2 3.9Å; Q313-Y524 VanDerWaalsContact CB-OH 3.31Å; Q313-Y524 WeakPolarHBondContact CB-OH 3.46Å |
| 314 | I | 95.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66 | -47.2 | 174.1 | -61.7 | 159 | 0 | 0 | 0 | 109.7 | F41 D310 M311 N316 T317 R318 Y524 F527 I528 | F41-I314 HydrophobicContact CD2-CD1 4.36Å; F41-I314 HydrophobicContact CD2-CG2 4.24Å; F41-I314 HydrophobicContact CE1-CG2 3.87Å; F41-I314 HydrophobicContact CE2-CB 3.88Å; F41-I314 HydrophobicContact CE2-CD1 3.7Å; F41-I314 HydrophobicContact CE2-CG1 4.39Å; F41-I314 HydrophobicContact CE2-CG2 3.55Å; F41-I314 HydrophobicContact CZ-CB 3.75Å; F41-I314 HydrophobicContact CZ-CD1 4.45Å; F41-I314 HydrophobicContact CZ-CG2 3.33Å; D310-I314 HydrophobicContact CB-CD1 4.16Å; D310-I314 HydrophobicContact CB-CG1 4.39Å; D310-I314 WeakPolarHBondContact O-CD1 3.43Å; D310-I314 VanDerWaalsContact O-CG1 3.27Å; D310-I314 WeakPolarHBondContact O-CG1 3.43Å; D310-I314 PolarHBondContact O-N 3.03Å; M311-I314 PolarHBondContact O-N 2.86Å; I314-N316 PolarHBondContact O-N 3.42Å; I314-T317 PolarHBondContact O-N 2.83Å; I314-R318 WeakPolarHBondContact O-CB 3.19Å; I314-R318 PolarHBondContact O-N 2.65Å; I314-Y524 HydrophobicContact CD1-CD1 4.15Å; I314-Y524 HydrophobicContact CD1-CE1 4.47Å; I314-Y524 HydrophobicContact CG1-CD1 3.47Å; I314-Y524 VanDerWaalsContact CG1-CD1 3.47Å; I314-Y524 HydrophobicContact CG1-CD2 4.17Å; I314-Y524 HydrophobicContact CG1-CE1 3.86Å; I314-Y524 HydrophobicContact CG1-CG 3.67Å; I314-F527 HydrophobicContact CD1-CD2 3.63Å; I314-F527 HydrophobicContact CD1-CE2 4.01Å; I314-F527 HydrophobicContact CD1-CG 4.45Å; I314-F527 HydrophobicContact CG1-CD2 4.14Å; I314-F527 HydrophobicContact CG2-CB 3.97Å; I314-F527 HydrophobicContact CG2-CD2 4.37Å; I314-I528 HydrophobicContact CG2-CD1 4.04Å; I314-I528 HydrophobicContact CG2-CG1 4.02Å |
| 315 | L | 94.5 | Very high | 94.8 | Very high | 26 Ų | 26 | 58.8 Ų | 58.8 | 14% | 0.136 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.6 | -40.8 | 176.7 | -70.7 | 175.2 | 0 | 0 | 0 | 112.4 | F41 E45 M311 R318 R319 | F41-L315 HydrophobicContact CE1-CD2 3.88Å; F41-L315 HydrophobicContact CE1-CG 4.47Å; F41-L315 HydrophobicContact CZ-CD2 4.07Å; F41-L315 HydrophobicContact CZ-CG 4.17Å; E45-L315 HydrophobicContact CG-CD2 4.46Å; E45-L315 WeakPolarHBondContact OE1-CD2 3.42Å; M311-L315 HydrophobicContact CG-CD1 3.92Å; M311-L315 HydrophobicContact CG-CG 4.47Å; M311-L315 WeakPolarHBondContact O-CB 3.23Å; M311-L315 WeakPolarHBondContact O-CG 3.33Å; M311-L315 PolarHBondContact O-N 2.9Å; M311-L315 HydrophobicContact SD-CD1 3.74Å; M311-L315 HydrophobicContact SD-CD2 4.4Å; M311-L315 HydrophobicContact SD-CG 3.88Å; L315-R318 VanDerWaalsContact CD2-NH2 3.31Å; L315-R318 WeakPolarHBondContact O-CB 3.34Å; L315-R318 PolarHBondContact O-N 2.99Å; L315-R319 PolarHBondContact O-N 2.93Å |
| 316 | N | 95.2 | Very high | 95 | Very high | 61 Ų | 61 | 56.9 Ų | 56.9 | 33% | 0.326 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -67.7 | -40.1 | 175.5 | -176.5 | 68.6 | 0 | 0 | 0 | 112.1 | D312 I314 R318 R319 Q320 | D312-N316 WeakPolarHBondContact O-CB 3.34Å; D312-N316 PolarHBondContact O-N 3.48Å; I314-N316 PolarHBondContact O-N 3.42Å; N316-R318 VanDerWaalsContact C-N 3.32Å; N316-R318 PolarHBondContact O-N 3.22Å; N316-R319 PolarHBondContact O-N 2.92Å; N316-R319 PolarHBondContact OD1-NH1 3.31Å; N316-Q320 PolarHBondContact ND2-NE2 2.79Å; N316-Q320 VanDerWaalsContact ND2-NE2 3.19Å; N316-Q320 WeakPolarHBondContact O-CG 3.44Å; N316-Q320 PolarHBondContact O-N 2.78Å |
| 317 | T | 96 | Very high | 95.1 | Very high | 8 Ų | 8 | 58.6 Ų | 58.6 | 5% | 0.049 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62 | -41.6 | 173.1 | -56 | 0 | 0 | 0 | 0 | 110.8 | Q313 I314 Q320 L321 I520 Y521 I528 | Q313-T317 WeakPolarHBondContact O-CB 3.31Å; Q313-T317 PolarHBondContact O-N 3.06Å; Q313-T317 PolarHBondContact O-OG1 3.17Å; I314-T317 PolarHBondContact O-N 2.83Å; T317-Q320 PolarHBondContact O-N 2.86Å; T317-L321 WeakPolarHBondContact O-CB 3.23Å; T317-L321 PolarHBondContact O-N 3.4Å; T317-I520 HydrophobicContact CG2-CG2 4.32Å; T317-Y521 HydrophobicContact CG2-CD2 3.97Å; T317-Y521 HydrophobicContact CG2-CE2 4.38Å; T317-I528 HydrophobicContact CG2-CD1 3.7Å |
| 318 | R | 95.9 | Very high | 95.2 | Very high | 71 Ų | 71 | 62.3 Ų | 62.3 | 27% | 0.268 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.2 | -43.4 | 174.7 | -170.9 | 177.9 | 76.9 | -166 | 2.3 | 111.7 | E45 I314 L315 N316 L321 E322 I528 V533 | E45-R318 IonicContact OE1-CZ 3.01Å; E45-R318 IonicContact OE1-NH1 3.72Å; E45-R318 IonicContact OE1-NH2 3.76Å; E45-R318 PolarHBondContact OE1-NH2 3.3Å; E45-R318 IonicContact OE2-CZ 3.31Å; E45-R318 IonicContact OE2-NH1 2.86Å; E45-R318 PolarHBondContact OE2-NH1 3.12Å; E45-R318 IonicContact OE2-NH2 3.72Å; E45-R318 PolarHBondContact OE2-NH2 2.89Å; E45-R318 VanDerWaalsContact OE2-NH2 3.15Å; I314-R318 WeakPolarHBondContact O-CB 3.19Å; I314-R318 PolarHBondContact O-N 2.65Å; L315-R318 VanDerWaalsContact CD2-NH2 3.31Å; L315-R318 WeakPolarHBondContact O-CB 3.34Å; L315-R318 PolarHBondContact O-N 2.99Å; N316-R318 VanDerWaalsContact C-N 3.32Å; N316-R318 PolarHBondContact O-N 3.22Å; R318-L321 PolarHBondContact O-N 2.93Å; R318-E322 WeakPolarHBondContact O-CB 3.1Å; R318-E322 PolarHBondContact O-N 3.38Å; R318-I528 HydrophobicContact CB-CD1 4.19Å; R318-I528 HydrophobicContact CB-CG1 4.41Å; R318-V533 HydrophobicContact CG-CG2 4.14Å |
| 319 | R | 95.9 | Very high | 95.3 | Very high | 127 Ų | 127 | 56.6 Ų | 56.6 | 48% | 0.479 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.8 | -47.2 | 176.5 | -169.4 | -170.6 | -59.4 | 115.6 | 1.6 | 112.2 | L315 N316 L321 E322 E323 | L315-R319 PolarHBondContact O-N 2.93Å; N316-R319 PolarHBondContact O-N 2.92Å; N316-R319 PolarHBondContact OD1-NH1 3.31Å; R319-L321 VanDerWaalsContact C-N 3.27Å; R319-L321 PolarHBondContact O-N 3.09Å; R319-E322 WeakPolarHBondContact O-CB 3.29Å; R319-E322 PolarHBondContact O-N 2.83Å; R319-E322 VanDerWaalsContact O-N 3.11Å; R319-E323 WeakPolarHBondContact O-CG 3.3Å; R319-E323 PolarHBondContact O-N 3.41Å |
| 320 | Q | 95.8 | Very high | 95.3 | Very high | 74 Ų | 74 | 54.3 Ų | 54.3 | 35% | 0.346 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.2 | -29.9 | 177.2 | -70.5 | 179.8 | 1.8 | 0 | 0 | 112.9 | N316 T317 K324 | N316-Q320 PolarHBondContact ND2-NE2 2.79Å; N316-Q320 VanDerWaalsContact ND2-NE2 3.19Å; N316-Q320 WeakPolarHBondContact O-CG 3.44Å; N316-Q320 PolarHBondContact O-N 2.78Å; T317-Q320 PolarHBondContact O-N 2.86Å; Q320-K324 VanDerWaalsContact O-CD 3.31Å; Q320-K324 WeakPolarHBondContact O-CD 3.42Å; Q320-K324 VanDerWaalsContact O-CG 3.23Å; Q320-K324 WeakPolarHBondContact O-CG 3.4Å; Q320-K324 PolarHBondContact O-N 3.21Å |
| 321 | L | 96.4 | Very high | 95.3 | Very high | 2 Ų | 2 | 60.3 Ų | 60.3 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -71.2 | -43.1 | 170.2 | 177.4 | 65.1 | 0 | 0 | 0 | 111.2 | T317 R318 R319 E323 K324 I325 L516 I520 I528 V530 V533 | T317-L321 WeakPolarHBondContact O-CB 3.23Å; T317-L321 PolarHBondContact O-N 3.4Å; R318-L321 PolarHBondContact O-N 2.93Å; R319-L321 VanDerWaalsContact C-N 3.27Å; R319-L321 PolarHBondContact O-N 3.09Å; L321-E323 PolarHBondContact O-N 3.15Å; L321-K324 PolarHBondContact O-N 2.71Å; L321-I325 HydrophobicContact CD1-CD1 3.91Å; L321-I325 HydrophobicContact CD1-CG1 4.15Å; L321-I325 HydrophobicContact CD2-CD1 4.35Å; L321-I325 HydrophobicContact CG-CD1 3.75Å; L321-I325 HydrophobicContact CG-CG1 4.38Å; L321-I325 WeakPolarHBondContact O-CG1 3.32Å; L321-I325 PolarHBondContact O-N 3.19Å; L321-L516 HydrophobicContact CD1-CB 3.94Å; L321-I520 HydrophobicContact CD2-CD1 3.87Å; L321-I520 HydrophobicContact CD2-CG1 4.06Å; L321-I528 HydrophobicContact CD2-CG2 3.45Å; L321-I528 VanDerWaalsContact CD2-CG2 3.45Å; L321-V530 HydrophobicContact CD1-CG2 4.36Å; L321-V530 HydrophobicContact CD2-CG2 4.19Å; L321-V533 HydrophobicContact CD2-CG2 4.2Å |
| 322 | E | 96.7 | Very high | 95.4 | Very high | 48 Ų | 48 | 61.5 Ų | 61.5 | 22% | 0.224 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.9 | -46.5 | 176.9 | -166.6 | -169.1 | 133 | 0 | 0 | 111.7 | R318 R319 K324 I325 R326 V533 I537 | R318-E322 WeakPolarHBondContact O-CB 3.1Å; R318-E322 PolarHBondContact O-N 3.38Å; R319-E322 WeakPolarHBondContact O-CB 3.29Å; R319-E322 PolarHBondContact O-N 2.83Å; R319-E322 VanDerWaalsContact O-N 3.11Å; E322-K324 VanDerWaalsContact C-N 3.34Å; E322-K324 PolarHBondContact O-N 3.12Å; E322-I325 PolarHBondContact O-N 3.07Å; E322-R326 WeakPolarHBondContact O-CB 3.46Å; E322-R326 PolarHBondContact O-N 2.94Å; E322-R326 IonicContact OE1-CZ 2.74Å; E322-R326 IonicContact OE1-NE 3.7Å; E322-R326 IonicContact OE1-NH2 2.63Å; E322-R326 PolarHBondContact OE1-NH2 3.3Å; E322-V533 HydrophobicContact CB-CG1 3.66Å; E322-V533 HydrophobicContact CG-CG1 3.82Å; E322-I537 HydrophobicContact CG-CD1 3.78Å; E322-I537 HydrophobicContact CG-CG1 3.86Å |
| 323 | E | 96.6 | Very high | 95.5 | Very high | 112 Ų | 112 | 55.5 Ų | 55.5 | 52% | 0.523 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -55.4 | -46.4 | 174 | -72.2 | 163.9 | -165.8 | 0 | 0 | 111.9 | R319 L321 R326 A327 | R319-E323 WeakPolarHBondContact O-CG 3.3Å; R319-E323 PolarHBondContact O-N 3.41Å; L321-E323 PolarHBondContact O-N 3.15Å; E323-R326 PolarHBondContact O-N 2.95Å; E323-A327 VanDerWaalsContact O-CB 3.3Å; E323-A327 WeakPolarHBondContact O-CB 3.34Å; E323-A327 PolarHBondContact O-N 2.84Å |
| 324 | K | 95.9 | Very high | 95.5 | Very high | 81 Ų | 81 | 55.5 Ų | 55.5 | 35% | 0.352 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -67.1 | -38.8 | 178.8 | -70.4 | 165.5 | -167.8 | 164.7 | 0 | 113.3 | Q320 L321 E322 L516 T519 | Q320-K324 VanDerWaalsContact O-CD 3.31Å; Q320-K324 WeakPolarHBondContact O-CD 3.42Å; Q320-K324 VanDerWaalsContact O-CG 3.23Å; Q320-K324 WeakPolarHBondContact O-CG 3.4Å; Q320-K324 PolarHBondContact O-N 3.21Å; L321-K324 PolarHBondContact O-N 2.71Å; E322-K324 VanDerWaalsContact C-N 3.34Å; E322-K324 PolarHBondContact O-N 3.12Å; K324-L516 HydrophobicContact CB-CD2 4.2Å; K324-T519 HydrophobicContact CD-CG2 4.44Å |
| 325 | I | 96.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -70.1 | -46.7 | 176.6 | -65.2 | 167 | 0 | 0 | 0 | 109.4 | L321 E322 A327 K328 V329 L513 L516 V530 V533 Y534 I537 | L321-I325 HydrophobicContact CD1-CD1 3.91Å; L321-I325 HydrophobicContact CD1-CG1 4.15Å; L321-I325 HydrophobicContact CD2-CD1 4.35Å; L321-I325 HydrophobicContact CG-CD1 3.75Å; L321-I325 HydrophobicContact CG-CG1 4.38Å; L321-I325 WeakPolarHBondContact O-CG1 3.32Å; L321-I325 PolarHBondContact O-N 3.19Å; E322-I325 PolarHBondContact O-N 3.07Å; I325-A327 VanDerWaalsContact C-N 3.3Å; I325-A327 PolarHBondContact O-N 3.27Å; I325-K328 PolarHBondContact O-N 2.79Å; I325-V329 HydrophobicContact CG2-CB 4.36Å; I325-V329 HydrophobicContact CG2-CG2 3.88Å; I325-V329 WeakPolarHBondContact O-CB 3.35Å; I325-V329 WeakPolarHBondContact O-CG2 3.41Å; I325-V329 PolarHBondContact O-N 3.38Å; I325-L513 HydrophobicContact CB-CD2 4.49Å; I325-L513 HydrophobicContact CD1-CD2 4.38Å; I325-L513 HydrophobicContact CG1-CD2 4Å; I325-L513 HydrophobicContact CG2-CD2 3.79Å; I325-L516 HydrophobicContact CB-CD1 4.48Å; I325-L516 HydrophobicContact CG1-CD1 3.6Å; I325-V530 HydrophobicContact CD1-CG1 3.98Å; I325-V533 HydrophobicContact CD1-CB 3.84Å; I325-V533 HydrophobicContact CD1-CG1 3.8Å; I325-Y534 HydrophobicContact CG2-CD2 4.16Å; I325-I537 HydrophobicContact CB-CD1 3.69Å; I325-I537 HydrophobicContact CG2-CD1 3.55Å |
| 326 | R | 96.3 | Very high | 95.5 | Very high | 74 Ų | 74 | 60.3 Ų | 60.3 | 28% | 0.279 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -57.6 | -43.2 | 179.4 | -170.1 | -178.9 | -65 | -82.7 | 6.3 | 111.4 | E322 E323 K328 V329 S330 I537 | E322-R326 WeakPolarHBondContact O-CB 3.46Å; E322-R326 PolarHBondContact O-N 2.94Å; E322-R326 IonicContact OE1-CZ 2.74Å; E322-R326 IonicContact OE1-NE 3.7Å; E322-R326 IonicContact OE1-NH2 2.63Å; E322-R326 PolarHBondContact OE1-NH2 3.3Å; E323-R326 PolarHBondContact O-N 2.95Å; R326-K328 PolarHBondContact O-N 3.01Å; R326-K328 VanDerWaalsContact O-N 3.16Å; R326-V329 PolarHBondContact O-N 3.44Å; R326-S330 VanDerWaalsContact CG-OG 3.3Å; R326-S330 WeakPolarHBondContact CG-OG 3.45Å; R326-S330 VanDerWaalsContact O-CB 3.27Å; R326-S330 WeakPolarHBondContact O-CB 3.25Å; R326-S330 PolarHBondContact O-N 2.92Å; R326-I537 HydrophobicContact CB-CD1 4.13Å; R326-I537 HydrophobicContact CG-CG2 4.47Å |
| 327 | A | 95.2 | Very high | 95.5 | Very high | 90 Ų | 90 | 57.7 Ų | 57.7 | 74% | 0.744 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -61.3 | -19.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115 | E323 I325 | E323-A327 VanDerWaalsContact O-CB 3.3Å; E323-A327 WeakPolarHBondContact O-CB 3.34Å; E323-A327 PolarHBondContact O-N 2.84Å; I325-A327 VanDerWaalsContact C-N 3.3Å; I325-A327 PolarHBondContact O-N 3.27Å |
| 328 | K | 93 | Very high | 95.4 | Very high | 79 Ų | 79 | 59.9 Ų | 59.9 | 34% | 0.343 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -99.7 | -40.3 | 172.8 | -58 | -168.5 | -170.6 | -175.9 | 0 | 113.2 | I325 R326 P332 E512 | I325-K328 PolarHBondContact O-N 2.79Å; R326-K328 PolarHBondContact O-N 3.01Å; R326-K328 VanDerWaalsContact O-N 3.16Å; K328-P332 WeakPolarHBondContact O-CD 3.36Å; K328-E512 HydrophobicContact CD-CB 3.76Å; K328-E512 HydrophobicContact CD-CG 4.4Å; K328-E512 PolarHBondContact NZ-O 3.19Å |
| 329 | V | 94.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.006 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -92.4 | -27 | -165.1 | 173.3 | 0 | 0 | 0 | 0 | 113.1 | I325 R326 E331 P332 A333 C509 Y534 L538 | I325-V329 HydrophobicContact CG2-CB 4.36Å; I325-V329 HydrophobicContact CG2-CG2 3.88Å; I325-V329 WeakPolarHBondContact O-CB 3.35Å; I325-V329 WeakPolarHBondContact O-CG2 3.41Å; I325-V329 PolarHBondContact O-N 3.38Å; R326-V329 PolarHBondContact O-N 3.44Å; V329-E331 PolarHBondContact O-N 3.31Å; V329-P332 WeakPolarHBondContact O-CD 3.47Å; V329-A333 HydrophobicContact CG1-CB 4.3Å; V329-A333 WeakPolarHBondContact O-CB 3.34Å; V329-A333 PolarHBondContact O-N 2.88Å; V329-C509 HydrophobicContact CG2-CB 4.29Å; V329-Y534 HydrophobicContact CB-CD2 4.44Å; V329-Y534 HydrophobicContact CB-CE2 4.36Å; V329-Y534 HydrophobicContact CG1-CD2 3.89Å; V329-Y534 HydrophobicContact CG1-CE2 3.57Å; V329-Y534 HydrophobicContact CG2-CD2 3.87Å; V329-Y534 HydrophobicContact CG2-CE2 3.82Å; V329-L538 HydrophobicContact CG1-CD2 3.83Å |
| 330 | S | 94.1 | Very high | 95.1 | Very high | 24 Ų | 24 | 57.6 Ų | 57.6 | 17% | 0.168 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.1 | -44.6 | -172.5 | -91.1 | 0 | 0 | 0 | 0 | 113.7 | R326 A333 E334 | R326-S330 VanDerWaalsContact CG-OG 3.3Å; R326-S330 WeakPolarHBondContact CG-OG 3.45Å; R326-S330 VanDerWaalsContact O-CB 3.27Å; R326-S330 WeakPolarHBondContact O-CB 3.25Å; R326-S330 PolarHBondContact O-N 2.92Å; S330-A333 PolarHBondContact O-N 2.86Å; S330-E334 WeakPolarHBondContact O-CB 3.47Å; S330-E334 WeakPolarHBondContact O-CG 3.25Å; S330-E334 PolarHBondContact O-N 2.78Å |
| 331 | E | 95 | Very high | 95 | Very high | 160 Ų | 160 | 54.1 Ų | 54.1 | 75% | 0.748 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -63.9 | -52.9 | -179.3 | 169.6 | 175.1 | -155.2 | 0 | 0 | 112.1 | V329 A333 E334 Q335 | V329-E331 PolarHBondContact O-N 3.31Å; E331-A333 VanDerWaalsContact C-N 3.29Å; E331-A333 PolarHBondContact O-N 3.15Å; E331-E334 PolarHBondContact O-N 3.07Å; E331-Q335 WeakPolarHBondContact O-CB 3.43Å; E331-Q335 PolarHBondContact O-N 2.63Å |
| 332 | P | 94.9 | Very high | 94.9 | Very high | 43 Ų | 43 | 57.4 Ų | 57.4 | 28% | 0.279 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -56.8 | -38.4 | 173.1 | -27.5 | 34.9 | 0 | 0 | 0 | 114.2 | K328 V329 L336 L505 | K328-P332 WeakPolarHBondContact O-CD 3.36Å; V329-P332 WeakPolarHBondContact O-CD 3.47Å; P332-L336 WeakPolarHBondContact O-CB 3.5Å; P332-L336 PolarHBondContact O-N 2.84Å; P332-L505 HydrophobicContact CB-CD2 4.02Å |
| 333 | A | 95.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -73.1 | -44.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | V329 S330 E331 C337 L505 L538 I541 | V329-A333 HydrophobicContact CG1-CB 4.3Å; V329-A333 WeakPolarHBondContact O-CB 3.34Å; V329-A333 PolarHBondContact O-N 2.88Å; S330-A333 PolarHBondContact O-N 2.86Å; E331-A333 VanDerWaalsContact C-N 3.29Å; E331-A333 PolarHBondContact O-N 3.15Å; A333-C337 WeakPolarHBondContact O-CB 3.17Å; A333-C337 PolarHBondContact O-N 3.02Å; A333-C337 PolarHBondContact O-SG 2.81Å; A333-L505 HydrophobicContact CB-CD1 3.79Å; A333-L538 HydrophobicContact CB-CD2 3.6Å; A333-I541 HydrophobicContact CB-CD1 3.85Å |
| 334 | E | 95.6 | Very high | 94.5 | Very high | 85 Ų | 85 | 56.7 Ų | 56.7 | 40% | 0.397 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -67.4 | -38.4 | 176.4 | -70.9 | -165.2 | 150.9 | 0 | 0 | 111.1 | S330 E331 C337 S338 I541 K544 | S330-E334 WeakPolarHBondContact O-CB 3.47Å; S330-E334 WeakPolarHBondContact O-CG 3.25Å; S330-E334 PolarHBondContact O-N 2.78Å; E331-E334 PolarHBondContact O-N 3.07Å; E334-C337 PolarHBondContact O-N 3.28Å; E334-S338 WeakPolarHBondContact O-CB 3.27Å; E334-S338 PolarHBondContact O-N 2.68Å; E334-S338 PolarHBondContact O-OG 3.14Å; E334-I541 HydrophobicContact CG-CD1 4.37Å; E334-I541 HydrophobicContact CG-CG1 4.46Å; E334-I541 HydrophobicContact CG-CG2 3.87Å; E334-K544 IonicContact OE1-NZ 3.89Å; E334-K544 PolarHBondContact OE1-NZ 2.98Å; E334-K544 VanDerWaalsContact OE1-NZ 3.12Å |
| 335 | Q | 95.7 | Very high | 94.3 | Very high | 101 Ų | 101 | 53 Ų | 53 | 47% | 0.472 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59 | -55.4 | 172.4 | -175.3 | 178.5 | 4 | 0 | 0 | 111.1 | E331 C337 S338 E339 | E331-Q335 WeakPolarHBondContact O-CB 3.43Å; E331-Q335 PolarHBondContact O-N 2.63Å; Q335-C337 VanDerWaalsContact C-N 3.26Å; Q335-C337 PolarHBondContact O-N 3.08Å; Q335-S338 PolarHBondContact O-N 3.27Å; Q335-S338 PolarHBondContact O-OG 2.83Å; Q335-E339 HydrophobicContact CG-CG 4.34Å; Q335-E339 WeakPolarHBondContact CG-OE1 3.45Å; Q335-E339 PolarHBondContact NE2-OE1 3Å; Q335-E339 PolarHBondContact O-N 3.23Å |
| 336 | L | 95.1 | Very high | 94.2 | Very high | 26 Ų | 26 | 53.8 Ų | 53.8 | 14% | 0.136 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -57.8 | -38.8 | 178.8 | 179.3 | 65.8 | 0 | 0 | 0 | 112.2 | P332 S340 F500 I501 N504 L505 | P332-L336 WeakPolarHBondContact O-CB 3.5Å; P332-L336 PolarHBondContact O-N 2.84Å; L336-S340 WeakPolarHBondContact O-CB 3.41Å; L336-S340 PolarHBondContact O-N 3Å; L336-F500 HydrophobicContact CD1-CE1 4.31Å; L336-I501 HydrophobicContact CD2-CB 4.49Å; L336-I501 HydrophobicContact CD2-CG1 4.49Å; L336-I501 HydrophobicContact CD2-CG2 4.36Å; L336-N504 HydrophobicContact CD1-CB 4.4Å; L336-N504 HydrophobicContact CD2-CB 3.82Å; L336-L505 HydrophobicContact CB-CD2 4.49Å; L336-L505 HydrophobicContact CD2-CD1 4.36Å; L336-L505 HydrophobicContact CD2-CD2 3.91Å; L336-L505 HydrophobicContact CD2-CG 3.77Å |
| 337 | C | 94.6 | Very high | 93.9 | Very high | 6 Ų | 6 | 53 Ų | 53 | 4% | 0.041 | 30% | 0.295 | C | S | . | . | I | π-helix | trans | -63.7 | -42.6 | 175 | -71.7 | 0 | 0 | 0 | 0 | 111.7 | A333 E334 Q335 V341 Q342 | A333-C337 WeakPolarHBondContact O-CB 3.17Å; A333-C337 PolarHBondContact O-N 3.02Å; A333-C337 PolarHBondContact O-SG 2.81Å; E334-C337 PolarHBondContact O-N 3.28Å; Q335-C337 VanDerWaalsContact C-N 3.26Å; Q335-C337 PolarHBondContact O-N 3.08Å; C337-V341 CarbonylContact O-C 3.54Å; C337-V341 WeakPolarHBondContact O-CA 3.48Å; C337-V341 WeakPolarHBondContact O-CB 3.14Å; C337-V341 PolarHBondContact O-N 3.44Å; C337-V341 VanDerWaalsContact O-N 3.12Å; C337-Q342 PolarHBondContact O-N 2.82Å |
| 338 | S | 94.7 | Very high | 93.8 | Very high | 53 Ų | 53 | 48.8 Ų | 48.8 | 37% | 0.371 | 26% | 0.259 | S | S | . | . | I | π-helix | trans | -69.9 | -38 | -179.6 | 73.8 | 0 | 0 | 0 | 0 | 113.8 | E334 Q335 P343 | E334-S338 WeakPolarHBondContact O-CB 3.27Å; E334-S338 PolarHBondContact O-N 2.68Å; E334-S338 PolarHBondContact O-OG 3.14Å; Q335-S338 PolarHBondContact O-N 3.27Å; Q335-S338 PolarHBondContact O-OG 2.83Å; S338-P343 WeakPolarHBondContact O-CD 3.3Å |
| 339 | E | 94.6 | Very high | 93.8 | Very high | 114 Ų | 114 | 45 Ų | 45 | 53% | 0.533 | 24% | 0.243 | S | C | . | . | I | π-helix | trans | -83.5 | -39.1 | -177.2 | -66.9 | 179.5 | -176.1 | 0 | 0 | 112.8 | Q335 | Q335-E339 HydrophobicContact CG-CG 4.34Å; Q335-E339 WeakPolarHBondContact CG-OE1 3.45Å; Q335-E339 PolarHBondContact NE2-OE1 3Å; Q335-E339 PolarHBondContact O-N 3.23Å |
| 340 | S | 91.3 | Very high | 93.6 | Very high | 36 Ų | 36 | 47.9 Ų | 47.9 | 25% | 0.252 | 26% | 0.257 | S | S | . | . | I | π-helix | trans | -117.5 | -13.2 | -167.1 | -65.8 | 0 | 0 | 0 | 0 | 115.7 | L336 Y344 | L336-S340 WeakPolarHBondContact O-CB 3.41Å; L336-S340 PolarHBondContact O-N 3Å; S340-Y344 WeakPolarHBondContact O-CD2 3.41Å |
| 341 | V | 93.1 | Very high | 93.5 | Very high | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.012 | 26% | 0.26 | C | S | . | . | I | π-helix | trans | -114.9 | -57.9 | -176.6 | -177.2 | 0 | 0 | 0 | 0 | 111.9 | C337 P343 Y344 L345 M497 F500 I501 L542 | C337-V341 CarbonylContact O-C 3.54Å; C337-V341 WeakPolarHBondContact O-CA 3.48Å; C337-V341 WeakPolarHBondContact O-CB 3.14Å; C337-V341 PolarHBondContact O-N 3.44Å; C337-V341 VanDerWaalsContact O-N 3.12Å; V341-P343 VanDerWaalsContact C-N 3.34Å; V341-Y344 PolarHBondContact O-N 3.02Å; V341-Y344 VanDerWaalsContact O-N 3.09Å; V341-L345 HydrophobicContact CG1-CD1 4.33Å; V341-L345 PolarHBondContact O-N 3.01Å; V341-L345 VanDerWaalsContact O-N 3.12Å; V341-M497 HydrophobicContact CG1-CB 4.09Å; V341-M497 HydrophobicContact CG1-CG 3.86Å; V341-M497 HydrophobicContact CG1-SD 3.95Å; V341-F500 HydrophobicContact CG2-CD1 4.32Å; V341-F500 HydrophobicContact CG2-CE1 4.39Å; V341-I501 HydrophobicContact CG2-CD1 4.21Å; V341-I501 HydrophobicContact CG2-CG1 4.09Å; V341-L542 HydrophobicContact CG1-CD1 4.1Å |
| 342 | Q | 93.9 | Very high | 93.3 | Very high | 70 Ų | 70 | 41.5 Ų | 41.5 | 33% | 0.327 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -47.6 | -45.3 | 179.1 | -79.6 | -178.7 | -16.9 | 0 | 0 | 113.7 | C337 Y344 L345 E545 | C337-Q342 PolarHBondContact O-N 2.82Å; Q342-Y344 PolarHBondContact O-N 3.32Å; Q342-L345 PolarHBondContact O-N 2.87Å; Q342-E545 HydrophobicContact CG-CG 4.31Å; Q342-E545 PolarHBondContact NE2-OE2 3.45Å |
| 343 | P | 93.8 | Very high | 93.2 | Very high | 76 Ų | 76 | 39.5 Ų | 39.5 | 49% | 0.494 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -67.6 | -12.3 | -175.1 | -20.7 | 34.5 | 0 | 0 | 0 | 114.7 | S338 V341 | S338-P343 WeakPolarHBondContact O-CD 3.3Å; V341-P343 VanDerWaalsContact C-N 3.34Å |
| 344 | Y | 91.3 | Very high | 93 | Very high | 70 Ų | 70 | 44 Ų | 44 | 28% | 0.275 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -117.3 | -9.9 | -177.6 | -52.8 | -68.2 | 0 | 0 | 0 | 112.8 | S340 V341 Q342 G346 S347 V348 R419 F420 | S340-Y344 WeakPolarHBondContact O-CD2 3.41Å; V341-Y344 PolarHBondContact O-N 3.02Å; V341-Y344 VanDerWaalsContact O-N 3.09Å; Q342-Y344 PolarHBondContact O-N 3.32Å; Y344-G346 PolarHBondContact O-N 3.46Å; Y344-S347 WeakPolarHBondContact CA-OG 3.44Å; Y344-S347 PolarHBondContact O-N 3.36Å; Y344-S347 PolarHBondContact O-OG 3.08Å; Y344-V348 WeakPolarHBondContact O-CG2 3.26Å; Y344-V348 PolarHBondContact O-N 3.39Å; Y344-R419 PolarHBondContact OH-NH2 3.48Å; Y344-F420 HydrophobicContact CD2-CZ 4.22Å; Y344-F420 HydrophobicContact CG-CZ 4.21Å |
| 345 | L | 92.7 | Very high | 92.9 | Very high | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.016 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.1 | -47.2 | -172.4 | -164.5 | 63.3 | 0 | 0 | 0 | 111.7 | V341 Q342 L349 L493 E545 V546 E549 | V341-L345 HydrophobicContact CG1-CD1 4.33Å; V341-L345 PolarHBondContact O-N 3.01Å; V341-L345 VanDerWaalsContact O-N 3.12Å; Q342-L345 PolarHBondContact O-N 2.87Å; L345-L349 WeakPolarHBondContact O-CB 3.24Å; L345-L349 PolarHBondContact O-N 2.82Å; L345-L493 HydrophobicContact CD1-CD1 4.1Å; L345-L493 HydrophobicContact CD1-CD2 4.13Å; L345-L493 HydrophobicContact CD1-CG 4.5Å; L345-E545 HydrophobicContact CD2-CB 4.12Å; L345-E545 WeakPolarHBondContact CD2-O 3.5Å; L345-V546 HydrophobicContact CD1-CG2 4.1Å; L345-E549 HydrophobicContact CB-CG 4.46Å; L345-E549 HydrophobicContact CD2-CB 3.83Å; L345-E549 HydrophobicContact CD2-CG 4.37Å; L345-E549 HydrophobicContact CG-CB 4.04Å; L345-E549 HydrophobicContact CG-CG 4.08Å |
| 346 | G | 92.9 | Very high | 92.9 | Very high | 17 Ų | 17 | 35.2 Ų | 35.2 | 18% | 0.175 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64 | -42.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y344 L349 E350 E549 | Y344-G346 PolarHBondContact O-N 3.46Å; G346-L349 WeakPolarHBondContact O-CB 3.24Å; G346-L349 PolarHBondContact O-N 3.24Å; G346-E350 WeakPolarHBondContact O-CG 3.41Å; G346-E350 PolarHBondContact O-N 3.39Å; G346-E549 VanDerWaalsContact CA-CD 3.44Å; G346-E549 WeakPolarHBondContact CA-OE1 3.48Å |
| 347 | S | 91.3 | Very high | 92.8 | Very high | 58 Ų | 58 | 34.1 Ų | 34.1 | 41% | 0.406 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -66.4 | -40.4 | 178.9 | 50.4 | 0 | 0 | 0 | 0 | 112.7 | Y344 L349 E350 E351 | Y344-S347 WeakPolarHBondContact CA-OG 3.44Å; Y344-S347 PolarHBondContact O-N 3.36Å; Y344-S347 PolarHBondContact O-OG 3.08Å; S347-L349 VanDerWaalsContact C-N 3.29Å; S347-L349 PolarHBondContact O-N 2.99Å; S347-E350 PolarHBondContact O-N 3.01Å; S347-E351 PolarHBondContact O-N 3.47Å |
| 348 | V | 92.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66 | -36.1 | 174 | -179.7 | 0 | 0 | 0 | 0 | 110.3 | Y344 E351 L352 L416 F420 L493 I496 M497 | Y344-V348 WeakPolarHBondContact O-CG2 3.26Å; Y344-V348 PolarHBondContact O-N 3.39Å; V348-E351 PolarHBondContact O-N 2.74Å; V348-L352 HydrophobicContact CG1-CD1 3.97Å; V348-L352 HydrophobicContact CG1-CG 4.48Å; V348-L352 WeakPolarHBondContact O-CB 3.45Å; V348-L352 WeakPolarHBondContact O-CD1 3.15Å; V348-L352 VanDerWaalsContact O-CG 3.29Å; V348-L352 WeakPolarHBondContact O-CG 3.31Å; V348-L352 PolarHBondContact O-N 2.97Å; V348-L416 HydrophobicContact CB-CD1 4.45Å; V348-L416 HydrophobicContact CG1-CD1 4.33Å; V348-L416 HydrophobicContact CG2-CD1 3.84Å; V348-L416 HydrophobicContact CG2-CD2 3.87Å; V348-L416 HydrophobicContact CG2-CG 4.44Å; V348-F420 HydrophobicContact CG2-CE2 4.19Å; V348-L493 HydrophobicContact CB-CD2 4.04Å; V348-L493 HydrophobicContact CG1-CD2 3.7Å; V348-I496 HydrophobicContact CG1-CD1 3.94Å; V348-M497 HydrophobicContact CB-CE 4.28Å; V348-M497 HydrophobicContact CG1-CE 4.45Å; V348-M497 HydrophobicContact CG2-CE 3.88Å |
| 349 | L | 93.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.7 | -42.9 | 175.2 | -176.9 | 59 | 0 | 0 | 0 | 112.6 | L345 G346 S347 E351 L352 M353 F489 L493 E549 V550 A553 | L345-L349 WeakPolarHBondContact O-CB 3.24Å; L345-L349 PolarHBondContact O-N 2.82Å; G346-L349 WeakPolarHBondContact O-CB 3.24Å; G346-L349 PolarHBondContact O-N 3.24Å; S347-L349 VanDerWaalsContact C-N 3.29Å; S347-L349 PolarHBondContact O-N 2.99Å; L349-E351 VanDerWaalsContact C-N 3.34Å; L349-E351 PolarHBondContact O-N 3.36Å; L349-L352 PolarHBondContact O-N 3.03Å; L349-M353 HydrophobicContact CD1-CG 3.85Å; L349-M353 HydrophobicContact CD1-SD 4.36Å; L349-M353 HydrophobicContact CG-CE 4.01Å; L349-M353 HydrophobicContact CG-CG 4.06Å; L349-M353 HydrophobicContact CG-SD 4.13Å; L349-M353 WeakPolarHBondContact O-CB 3.32Å; L349-M353 VanDerWaalsContact O-CG 3.24Å; L349-M353 WeakPolarHBondContact O-CG 3.36Å; L349-M353 PolarHBondContact O-N 2.89Å; L349-F489 HydrophobicContact CD1-CB 3.7Å; L349-F489 HydrophobicContact CD1-CD1 4.41Å; L349-F489 HydrophobicContact CD1-CD2 4.33Å; L349-F489 HydrophobicContact CD1-CG 3.91Å; L349-L493 HydrophobicContact CB-CD1 4.32Å; L349-L493 HydrophobicContact CD1-CD1 4.13Å; L349-E549 HydrophobicContact CD2-CG 3.79Å; L349-V550 HydrophobicContact CD1-CG2 4.12Å; L349-V550 HydrophobicContact CD2-CG2 3.93Å; L349-A553 HydrophobicContact CD2-CB 3.73Å |
| 350 | E | 90.8 | Very high | 92.9 | Very high | 62 Ų | 62 | 28.1 Ų | 28.1 | 29% | 0.29 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -58.2 | -45.5 | 175.5 | -62.4 | -51.5 | 132.2 | 0 | 0 | 111.9 | G346 S347 L352 M353 E354 K558 | G346-E350 WeakPolarHBondContact O-CG 3.41Å; G346-E350 PolarHBondContact O-N 3.39Å; S347-E350 PolarHBondContact O-N 3.01Å; E350-L352 VanDerWaalsContact C-N 3.32Å; E350-L352 PolarHBondContact O-N 2.91Å; E350-M353 HydrophobicContact CG-CE 4.48Å; E350-M353 PolarHBondContact O-N 3.26Å; E350-M353 WeakPolarHBondContact OE1-CE 3.35Å; E350-M353 WeakPolarHBondContact OE2-CE 3.45Å; E350-E354 PolarHBondContact O-N 2.82Å; E350-K558 WeakPolarHBondContact OE1-CD 3.31Å; E350-K558 WeakPolarHBondContact OE1-CE 3.35Å; E350-K558 IonicContact OE1-NZ 3.79Å; E350-K558 PolarHBondContact OE1-NZ 2.96Å |
| 351 | E | 91.1 | Very high | 93 | Very high | 50 Ų | 50 | 29.2 Ų | 29.2 | 23% | 0.234 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67.3 | -30.9 | 179.8 | -71.3 | -174.9 | -151 | 0 | 0 | 113.5 | S347 V348 L349 P355 L409 L413 H415 | S347-E351 PolarHBondContact O-N 3.47Å; V348-E351 PolarHBondContact O-N 2.74Å; L349-E351 VanDerWaalsContact C-N 3.34Å; L349-E351 PolarHBondContact O-N 3.36Å; E351-P355 WeakPolarHBondContact O-CD 3.39Å; E351-P355 WeakPolarHBondContact O-CG 3.39Å; E351-L409 WeakPolarHBondContact O-CD1 3.43Å; E351-L413 HydrophobicContact CB-CD2 3.83Å; E351-H415 IonicContact OE1-CE1 2.64Å; E351-H415 PolarHBondContact OE1-CE1 2.97Å; E351-H415 VanDerWaalsContact OE1-CE1 3.23Å; E351-H415 IonicContact OE1-NE2 2.66Å; E351-H415 IonicContact OE2-CE1 2.6Å; E351-H415 PolarHBondContact OE2-CE1 2.88Å; E351-H415 VanDerWaalsContact OE2-CE1 3.31Å |
| 352 | L | 91.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -70 | -44.9 | 168.7 | -74.6 | 165 | 0 | 0 | 0 | 111.8 | V348 L349 E350 E354 P355 I356 L409 L413 L425 F489 A492 L493 I496 | V348-L352 HydrophobicContact CG1-CD1 3.97Å; V348-L352 HydrophobicContact CG1-CG 4.48Å; V348-L352 WeakPolarHBondContact O-CB 3.45Å; V348-L352 WeakPolarHBondContact O-CD1 3.15Å; V348-L352 VanDerWaalsContact O-CG 3.29Å; V348-L352 WeakPolarHBondContact O-CG 3.31Å; V348-L352 PolarHBondContact O-N 2.97Å; L349-L352 PolarHBondContact O-N 3.03Å; E350-L352 VanDerWaalsContact C-N 3.32Å; E350-L352 PolarHBondContact O-N 2.91Å; L352-E354 PolarHBondContact O-N 3.21Å; L352-P355 WeakPolarHBondContact O-CD 3.3Å; L352-I356 HydrophobicContact CD2-CD1 4.47Å; L352-I356 WeakPolarHBondContact O-CB 3.45Å; L352-I356 WeakPolarHBondContact O-CD1 3.43Å; L352-I356 WeakPolarHBondContact O-CG1 3.37Å; L352-L409 HydrophobicContact CD2-CD1 3.97Å; L352-L409 HydrophobicContact CD2-CD2 3.87Å; L352-L409 HydrophobicContact CD2-CG 4.49Å; L352-L413 HydrophobicContact CD2-CD1 4.26Å; L352-L425 HydrophobicContact CD2-CD2 4.06Å; L352-F489 HydrophobicContact CB-CD1 4.21Å; L352-A492 HydrophobicContact CD1-CB 3.92Å; L352-A492 HydrophobicContact CD2-CB 3.73Å; L352-A492 HydrophobicContact CG-CB 4.5Å; L352-L493 HydrophobicContact CD1-CD2 3.64Å; L352-L493 HydrophobicContact CD1-CG 3.9Å; L352-I496 HydrophobicContact CD1-CD1 4.48Å |
| 353 | M | 92.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65 | -41.8 | -171.1 | -81.1 | -166.9 | -60.8 | 0 | 0 | 113.5 | L349 E350 S357 F489 A553 K558 L561 | L349-M353 HydrophobicContact CD1-CG 3.85Å; L349-M353 HydrophobicContact CD1-SD 4.36Å; L349-M353 HydrophobicContact CG-CE 4.01Å; L349-M353 HydrophobicContact CG-CG 4.06Å; L349-M353 HydrophobicContact CG-SD 4.13Å; L349-M353 WeakPolarHBondContact O-CB 3.32Å; L349-M353 VanDerWaalsContact O-CG 3.24Å; L349-M353 WeakPolarHBondContact O-CG 3.36Å; L349-M353 PolarHBondContact O-N 2.89Å; E350-M353 HydrophobicContact CG-CE 4.48Å; E350-M353 PolarHBondContact O-N 3.26Å; E350-M353 WeakPolarHBondContact OE1-CE 3.35Å; E350-M353 WeakPolarHBondContact OE2-CE 3.45Å; M353-S357 WeakPolarHBondContact O-CB 3.28Å; M353-S357 PolarHBondContact O-N 3.32Å; M353-S357 PolarHBondContact O-OG 2.81Å; M353-F489 HydrophobicContact CB-CE1 4.41Å; M353-F489 HydrophobicContact CB-CZ 4.13Å; M353-F489 HydrophobicContact CG-CD1 4.38Å; M353-F489 HydrophobicContact CG-CD2 4.03Å; M353-F489 HydrophobicContact CG-CE1 4.07Å; M353-F489 HydrophobicContact CG-CE2 3.68Å; M353-F489 HydrophobicContact CG-CG 4.4Å; M353-F489 HydrophobicContact CG-CZ 3.73Å; M353-F489 HydrophobicContact SD-CE2 4.5Å; M353-A553 HydrophobicContact CE-CB 4.15Å; M353-A553 HydrophobicContact SD-CB 4.07Å; M353-K558 HydrophobicContact CE-CB 3.94Å; M353-K558 HydrophobicContact CE-CD 3.81Å; M353-K558 HydrophobicContact SD-CB 4.16Å; M353-L561 HydrophobicContact SD-CD1 3.85Å |
| 354 | E | 91.3 | Very high | 93.2 | Very high | 95 Ų | 95 | 24.9 Ų | 24.9 | 44% | 0.444 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -63.6 | -58.2 | -174.2 | -166.5 | -134.6 | 117.7 | 0 | 0 | 113.9 | E350 L352 I356 S358 K412 | E350-E354 PolarHBondContact O-N 2.82Å; L352-E354 PolarHBondContact O-N 3.21Å; E354-I356 PolarHBondContact O-N 3.28Å; E354-S358 WeakPolarHBondContact O-CB 3.39Å; E354-S358 PolarHBondContact O-N 3.4Å; E354-K412 IonicContact OE1-NZ 3.94Å; E354-K412 PolarHBondContact OE1-NZ 3.06Å; E354-K412 IonicContact OE2-NZ 2.79Å; E354-K412 PolarHBondContact OE2-NZ 3.45Å |
| 355 | P | 93.5 | Very high | 93.4 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.006 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.3 | -40 | -177.6 | 27.1 | -34.6 | 0 | 0 | 0 | 112.7 | E351 L352 S358 G359 K405 S408 L409 | E351-P355 WeakPolarHBondContact O-CD 3.39Å; E351-P355 WeakPolarHBondContact O-CG 3.39Å; L352-P355 WeakPolarHBondContact O-CD 3.3Å; P355-S358 PolarHBondContact O-N 2.94Å; P355-G359 PolarHBondContact O-N 3.48Å; P355-G359 VanDerWaalsContact O-N 3.09Å; P355-K405 VanDerWaalsContact CB-O 3.29Å; P355-K405 WeakPolarHBondContact CB-O 3.4Å; P355-S408 WeakPolarHBondContact CB-OG 3.34Å; P355-L409 HydrophobicContact CB-CB 4.26Å; P355-L409 HydrophobicContact CG-CB 3.84Å; P355-L409 HydrophobicContact CG-CD1 3.63Å; P355-L409 HydrophobicContact CG-CG 4.31Å |
| 356 | I | 95.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.4 | -52.2 | 178.2 | -69.1 | 168.5 | 0 | 0 | 0 | 109.9 | L352 E354 S358 G359 F360 I406 L409 R485 I488 F489 | L352-I356 HydrophobicContact CD2-CD1 4.47Å; L352-I356 WeakPolarHBondContact O-CB 3.45Å; L352-I356 WeakPolarHBondContact O-CD1 3.43Å; L352-I356 WeakPolarHBondContact O-CG1 3.37Å; E354-I356 PolarHBondContact O-N 3.28Å; I356-S358 VanDerWaalsContact C-N 3.31Å; I356-S358 PolarHBondContact O-N 3.05Å; I356-G359 PolarHBondContact O-N 3.15Å; I356-G359 VanDerWaalsContact O-N 3.14Å; I356-F360 HydrophobicContact CG2-CD2 4.12Å; I356-F360 HydrophobicContact CG2-CE2 4.16Å; I356-F360 WeakPolarHBondContact O-CD2 3.46Å; I356-F360 PolarHBondContact O-N 3.01Å; I356-F360 VanDerWaalsContact O-N 3.1Å; I356-I406 HydrophobicContact CG1-CG2 4.27Å; I356-L409 HydrophobicContact CD1-CD2 4.19Å; I356-R485 HydrophobicContact CG2-CG 4.15Å; I356-I488 HydrophobicContact CD1-CG2 3.85Å; I356-I488 HydrophobicContact CG2-CG2 4.49Å; I356-F489 HydrophobicContact CB-CE1 3.79Å; I356-F489 HydrophobicContact CB-CZ 4.26Å; I356-F489 HydrophobicContact CD1-CD1 4.13Å; I356-F489 HydrophobicContact CD1-CE1 3.76Å; I356-F489 HydrophobicContact CG1-CE1 4.35Å; I356-F489 HydrophobicContact CG2-CE1 3.72Å; I356-F489 HydrophobicContact CG2-CZ 3.97Å |
| 357 | S | 94.4 | Very high | 93.6 | Very high | 3 Ų | 3 | 28.3 Ų | 28.3 | 2% | 0.021 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67.3 | -31.7 | -179.8 | -55.7 | 0 | 0 | 0 | 0 | 112.4 | M353 G359 F360 M361 R485 H559 | M353-S357 WeakPolarHBondContact O-CB 3.28Å; M353-S357 PolarHBondContact O-N 3.32Å; M353-S357 PolarHBondContact O-OG 2.81Å; S357-G359 VanDerWaalsContact C-N 3.32Å; S357-G359 PolarHBondContact O-N 2.86Å; S357-F360 PolarHBondContact O-N 2.88Å; S357-M361 VanDerWaalsContact O-CB 3.3Å; S357-M361 WeakPolarHBondContact O-CB 3.46Å; S357-M361 VanDerWaalsContact O-CG 3.22Å; S357-M361 WeakPolarHBondContact O-CG 3.48Å; S357-M361 PolarHBondContact O-N 3.2Å; S357-R485 PolarHBondContact OG-NH1 3.27Å; S357-H559 WeakPolarHBondContact OG-CB 3.44Å |
| 358 | S | 94 | Very high | 93.8 | Very high | 47 Ų | 47 | 28.2 Ų | 28.2 | 33% | 0.329 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -61.8 | -38.4 | 172.5 | -172.8 | 0 | 0 | 0 | 0 | 112.1 | E354 P355 I356 A362 | E354-S358 WeakPolarHBondContact O-CB 3.39Å; E354-S358 PolarHBondContact O-N 3.4Å; P355-S358 PolarHBondContact O-N 2.94Å; I356-S358 VanDerWaalsContact C-N 3.31Å; I356-S358 PolarHBondContact O-N 3.05Å; S358-A362 WeakPolarHBondContact O-CB 3.45Å; S358-A362 PolarHBondContact O-N 3.44Å; S358-A362 VanDerWaalsContact O-N 3.15Å |
| 359 | G | 95.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.5 | -52.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113 | P355 I356 S357 M361 A362 S363 | P355-G359 PolarHBondContact O-N 3.48Å; P355-G359 VanDerWaalsContact O-N 3.09Å; I356-G359 PolarHBondContact O-N 3.15Å; I356-G359 VanDerWaalsContact O-N 3.14Å; S357-G359 VanDerWaalsContact C-N 3.32Å; S357-G359 PolarHBondContact O-N 2.86Å; G359-M361 PolarHBondContact O-N 3.45Å; G359-A362 WeakPolarHBondContact O-CB 2.98Å; G359-A362 PolarHBondContact O-N 3.15Å; G359-S363 PolarHBondContact O-N 3.5Å |
| 360 | F | 95.6 | Very high | 94 | Very high | 1 Ų | 1 | 33 Ų | 33 | 0% | 0.004 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.4 | -35.1 | 179.9 | -83.5 | -102.8 | 0 | 0 | 0 | 113.5 | I356 S357 A362 S363 R364 I406 L436 L439 V484 R485 I488 | I356-F360 HydrophobicContact CG2-CD2 4.12Å; I356-F360 HydrophobicContact CG2-CE2 4.16Å; I356-F360 WeakPolarHBondContact O-CD2 3.46Å; I356-F360 PolarHBondContact O-N 3.01Å; I356-F360 VanDerWaalsContact O-N 3.1Å; S357-F360 PolarHBondContact O-N 2.88Å; F360-A362 VanDerWaalsContact C-N 3.34Å; F360-S363 PolarHBondContact O-OG 3.37Å; F360-R364 WeakPolarHBondContact O-CB 3.33Å; F360-R364 PolarHBondContact O-N 2.89Å; F360-I406 HydrophobicContact CD2-CD1 4.39Å; F360-I406 HydrophobicContact CE2-CD1 4.27Å; F360-L436 HydrophobicContact CD2-CB 4.46Å; F360-L436 HydrophobicContact CD2-CD1 3.93Å; F360-L436 HydrophobicContact CE1-CB 4.11Å; F360-L436 HydrophobicContact CE2-CB 3.96Å; F360-L436 HydrophobicContact CE2-CD1 4.22Å; F360-L436 HydrophobicContact CG-CD1 4.14Å; F360-L436 HydrophobicContact CZ-CB 3.76Å; F360-L439 HydrophobicContact CD1-CD2 4.05Å; F360-L439 HydrophobicContact CE1-CD2 4.04Å; F360-V484 HydrophobicContact CE1-CB 4.43Å; F360-V484 HydrophobicContact CE1-CG1 3.79Å; F360-V484 HydrophobicContact CZ-CG1 3.69Å; F360-R485 HydrophobicContact CB-CG 4.49Å; F360-R485 HydrophobicContact CD1-CG 4.13Å; F360-R485 HydrophobicContact CD2-CG 3.92Å; F360-R485 HydrophobicContact CE1-CG 4.33Å; F360-R485 HydrophobicContact CE2-CG 4.13Å; F360-R485 HydrophobicContact CG-CG 3.92Å; F360-R485 HydrophobicContact CZ-CG 4.33Å; F360-I488 HydrophobicContact CE2-CD1 4.09Å; F360-I488 HydrophobicContact CZ-CD1 3.89Å |
| 361 | M | 93.8 | Very high | 94.1 | Very high | 59 Ų | 59 | 30.2 Ų | 30.2 | 29% | 0.291 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -68.1 | -34.7 | 173.8 | -73.1 | -61.4 | -54.1 | 0 | 0 | 111.7 | S357 G359 Q365 | S357-M361 VanDerWaalsContact O-CB 3.3Å; S357-M361 WeakPolarHBondContact O-CB 3.46Å; S357-M361 VanDerWaalsContact O-CG 3.22Å; S357-M361 WeakPolarHBondContact O-CG 3.48Å; S357-M361 PolarHBondContact O-N 3.2Å; G359-M361 PolarHBondContact O-N 3.45Å; M361-Q365 WeakPolarHBondContact O-CG 3.42Å; M361-Q365 PolarHBondContact O-N 3.06Å |
| 362 | A | 95.3 | Very high | 94.2 | Very high | 12 Ų | 12 | 30.4 Ų | 30.4 | 10% | 0.099 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -69.9 | -41.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S358 G359 F360 R364 Q365 L366 K405 | S358-A362 WeakPolarHBondContact O-CB 3.45Å; S358-A362 PolarHBondContact O-N 3.44Å; S358-A362 VanDerWaalsContact O-N 3.15Å; G359-A362 WeakPolarHBondContact O-CB 2.98Å; G359-A362 PolarHBondContact O-N 3.15Å; F360-A362 VanDerWaalsContact C-N 3.34Å; A362-R364 VanDerWaalsContact C-N 3.34Å; A362-R364 PolarHBondContact O-N 3.26Å; A362-Q365 PolarHBondContact O-N 2.9Å; A362-L366 PolarHBondContact O-N 3.29Å; A362-K405 HydrophobicContact CB-CD 4Å |
| 363 | S | 95.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.7 | -36.7 | 177.1 | 67.8 | 0 | 0 | 0 | 0 | 111.8 | G359 F360 Q365 L366 M367 C402 M440 | G359-S363 PolarHBondContact O-N 3.5Å; F360-S363 PolarHBondContact O-OG 3.37Å; S363-Q365 PolarHBondContact O-N 2.86Å; S363-L366 PolarHBondContact O-N 3.03Å; S363-M367 WeakPolarHBondContact O-CB 3.06Å; S363-M367 PolarHBondContact O-N 2.94Å; S363-C402 PolarHBondContact N-SG 2.87Å; S363-M440 WeakPolarHBondContact O-CE 3.44Å; S363-M440 VanDerWaalsContact O-SD 3.36Å |
| 364 | R | 94.9 | Very high | 94.1 | Very high | 44 Ų | 44 | 34.5 Ų | 34.5 | 17% | 0.166 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -56.5 | -45.1 | 169.5 | -166.5 | -146.8 | 171.9 | -80.9 | 1.6 | 112.7 | F360 A362 M367 E368 F477 D478 | F360-R364 WeakPolarHBondContact O-CB 3.33Å; F360-R364 PolarHBondContact O-N 2.89Å; A362-R364 VanDerWaalsContact C-N 3.34Å; A362-R364 PolarHBondContact O-N 3.26Å; R364-M367 PolarHBondContact O-N 2.74Å; R364-E368 IonicContact CZ-OE2 2.8Å; R364-E368 IonicContact NH1-OE2 3.47Å; R364-E368 PolarHBondContact NH1-OE2 3.36Å; R364-E368 IonicContact NH2-OE2 3.06Å; R364-E368 PolarHBondContact O-N 2.78Å; R364-F477 HydrophobicContact CB-CD1 4.1Å; R364-F477 HydrophobicContact CB-CE1 3.56Å; R364-F477 HydrophobicContact CB-CZ 4.23Å; R364-F477 HydrophobicContact CG-CD1 3.81Å; R364-F477 HydrophobicContact CG-CE1 3.83Å; R364-D478 WeakPolarHBondContact CD-OD1 3.28Å; R364-D478 IonicContact CZ-OD2 2.92Å; R364-D478 VanDerWaalsContact NE-CG 3.35Å; R364-D478 IonicContact NE-OD1 2.69Å; R364-D478 PolarHBondContact NE-OD1 2.6Å; R364-D478 IonicContact NE-OD2 2.76Å; R364-D478 PolarHBondContact NE-OD2 3.42Å; R364-D478 IonicContact NH2-OD2 3.87Å; R364-D478 PolarHBondContact NH2-OD2 3.09Å |
| 365 | Q | 95.2 | Very high | 94 | Very high | 114 Ų | 114 | 32.1 Ų | 32.1 | 53% | 0.533 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -66.4 | -40.6 | 178.5 | -72.3 | 170.5 | -21.8 | 0 | 0 | 111.7 | M361 A362 S363 E368 T369 | M361-Q365 WeakPolarHBondContact O-CG 3.42Å; M361-Q365 PolarHBondContact O-N 3.06Å; A362-Q365 PolarHBondContact O-N 2.9Å; S363-Q365 PolarHBondContact O-N 2.86Å; Q365-E368 PolarHBondContact O-N 2.63Å; Q365-T369 PolarHBondContact O-N 2.91Å; Q365-T369 PolarHBondContact O-OG1 3.45Å |
| 366 | L | 95.4 | Very high | 93.8 | Very high | 48 Ų | 48 | 36.1 Ų | 36.1 | 25% | 0.251 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -63.9 | -41.3 | 174.7 | -179.4 | 57.7 | 0 | 0 | 0 | 112.1 | A362 S363 T369 K370 P397 L399 M440 | A362-L366 PolarHBondContact O-N 3.29Å; S363-L366 PolarHBondContact O-N 3.03Å; L366-T369 PolarHBondContact O-N 3.03Å; L366-K370 PolarHBondContact O-N 2.84Å; L366-P397 HydrophobicContact CD2-CB 4.08Å; L366-P397 HydrophobicContact CD2-CG 4.32Å; L366-P397 HydrophobicContact CG-CB 4.22Å; L366-L399 HydrophobicContact CD2-CD2 4.1Å; L366-M440 HydrophobicContact CB-CE 4.37Å; L366-M440 HydrophobicContact CD2-CE 4.34Å; L366-M440 HydrophobicContact CG-CE 4.28Å |
| 367 | M | 94.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.5 | -45.5 | 175.1 | -176.5 | 52.8 | 68.7 | 0 | 0 | 111.7 | S363 R364 T369 K370 M371 M394 M440 A443 A444 | S363-M367 WeakPolarHBondContact O-CB 3.06Å; S363-M367 PolarHBondContact O-N 2.94Å; R364-M367 PolarHBondContact O-N 2.74Å; M367-T369 VanDerWaalsContact C-N 3.29Å; M367-T369 PolarHBondContact O-N 2.84Å; M367-K370 PolarHBondContact O-N 3.15Å; M367-M371 HydrophobicContact CG-CE 3.67Å; M367-M371 HydrophobicContact CG-CG 4.33Å; M367-M371 HydrophobicContact CG-SD 4.09Å; M367-M371 WeakPolarHBondContact O-CB 3.2Å; M367-M371 VanDerWaalsContact O-CG 3.27Å; M367-M371 WeakPolarHBondContact O-CG 3.23Å; M367-M371 PolarHBondContact O-N 2.89Å; M367-M371 HydrophobicContact SD-CE 3.71Å; M367-M371 HydrophobicContact SD-CG 4.05Å; M367-M371 HydrophobicContact SD-SD 4.42Å; M367-M394 HydrophobicContact CE-CG 4.41Å; M367-M394 HydrophobicContact SD-CG 3.87Å; M367-M394 HydrophobicContact SD-SD 4.32Å; M367-M440 HydrophobicContact CB-CE 3.92Å; M367-M440 HydrophobicContact CB-SD 3.85Å; M367-M440 HydrophobicContact CE-CB 4.04Å; M367-M440 HydrophobicContact CE-CE 3.8Å; M367-M440 VanDerWaalsContact CE-O 3.25Å; M367-M440 WeakPolarHBondContact CE-O 3.32Å; M367-M440 HydrophobicContact CE-SD 3.86Å; M367-A443 HydrophobicContact CE-CB 4.25Å; M367-A443 HydrophobicContact CG-CB 4.33Å; M367-A443 HydrophobicContact SD-CB 4.44Å; M367-A444 HydrophobicContact CE-CB 4.29Å |
| 368 | E | 95.6 | Very high | 93.1 | Very high | 55 Ų | 55 | 37.9 Ų | 37.9 | 26% | 0.257 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -58.7 | -41.8 | 174.9 | -179.7 | 156.4 | -146.1 | 0 | 0 | 111.7 | R364 Q365 M371 D372 K470 L474 | R364-E368 IonicContact CZ-OE2 2.8Å; R364-E368 IonicContact NH1-OE2 3.47Å; R364-E368 PolarHBondContact NH1-OE2 3.36Å; R364-E368 IonicContact NH2-OE2 3.06Å; R364-E368 PolarHBondContact O-N 2.78Å; Q365-E368 PolarHBondContact O-N 2.63Å; E368-M371 PolarHBondContact O-N 3.27Å; E368-D372 PolarHBondContact O-N 3.48Å; E368-K470 IonicContact OE1-NZ 3.36Å; E368-K470 PolarHBondContact OE1-NZ 3.39Å; E368-L474 HydrophobicContact CB-CD1 4.07Å; E368-L474 HydrophobicContact CB-CD2 3.98Å; E368-L474 VanDerWaalsContact CD-CD1 3.49Å; E368-L474 HydrophobicContact CG-CD1 3.84Å; E368-L474 WeakPolarHBondContact OE1-CD1 3.41Å |
| 369 | T | 95.3 | Very high | 92.8 | Very high | 75 Ų | 75 | 40 Ų | 40 | 46% | 0.46 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -60.6 | -47.5 | 175.2 | -52.7 | 0 | 0 | 0 | 0 | 111.8 | Q365 L366 M367 D372 E373 | Q365-T369 PolarHBondContact O-N 2.91Å; Q365-T369 PolarHBondContact O-OG1 3.45Å; L366-T369 PolarHBondContact O-N 3.03Å; M367-T369 VanDerWaalsContact C-N 3.29Å; M367-T369 PolarHBondContact O-N 2.84Å; T369-D372 PolarHBondContact O-N 3.11Å; T369-E373 PolarHBondContact O-N 2.92Å |
| 370 | K | 94.3 | Very high | 92.4 | Very high | 26 Ų | 26 | 46.9 Ų | 46.9 | 11% | 0.113 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -69.9 | -32.2 | 178.5 | -76.4 | -56.9 | -164.5 | 177.7 | 0 | 113.5 | L366 M367 D372 E373 V374 E393 M394 P397 | L366-K370 PolarHBondContact O-N 2.84Å; M367-K370 PolarHBondContact O-N 3.15Å; K370-D372 VanDerWaalsContact C-N 3.35Å; K370-E373 VanDerWaalsContact CD-OE2 3.22Å; K370-E373 WeakPolarHBondContact CD-OE2 3.37Å; K370-E373 WeakPolarHBondContact CE-OE2 3.44Å; K370-E373 IonicContact NZ-OE1 3.98Å; K370-E373 IonicContact NZ-OE2 2.67Å; K370-E373 PolarHBondContact NZ-OE2 3.47Å; K370-E373 PolarHBondContact O-N 3.48Å; K370-V374 WeakPolarHBondContact O-CG2 3.37Å; K370-V374 PolarHBondContact O-N 2.98Å; K370-E393 IonicContact NZ-OE2 3.07Å; K370-E393 PolarHBondContact NZ-OE2 2.99Å; K370-M394 HydrophobicContact CB-CB 3.9Å; K370-M394 HydrophobicContact CB-CG 3.83Å; K370-P397 HydrophobicContact CG-CB 4.49Å |
| 371 | M | 93.7 | Very high | 91.7 | Very high | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.015 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.7 | -38.6 | 170 | -72.7 | 178.1 | 170 | 0 | 0 | 111.8 | M367 E368 Y375 M394 A443 L447 K470 I473 L474 | M367-M371 HydrophobicContact CG-CE 3.67Å; M367-M371 HydrophobicContact CG-CG 4.33Å; M367-M371 HydrophobicContact CG-SD 4.09Å; M367-M371 WeakPolarHBondContact O-CB 3.2Å; M367-M371 VanDerWaalsContact O-CG 3.27Å; M367-M371 WeakPolarHBondContact O-CG 3.23Å; M367-M371 PolarHBondContact O-N 2.89Å; M367-M371 HydrophobicContact SD-CE 3.71Å; M367-M371 HydrophobicContact SD-CG 4.05Å; M367-M371 HydrophobicContact SD-SD 4.42Å; E368-M371 PolarHBondContact O-N 3.27Å; M371-Y375 VanDerWaalsContact O-CB 3.25Å; M371-Y375 WeakPolarHBondContact O-CB 3.24Å; M371-Y375 PolarHBondContact O-N 3.24Å; M371-M394 HydrophobicContact CG-SD 4.16Å; M371-A443 HydrophobicContact CE-CB 4.34Å; M371-L447 HydrophobicContact CE-CB 4.46Å; M371-L447 HydrophobicContact CE-CD1 4.49Å; M371-L447 HydrophobicContact CG-CD1 4.49Å; M371-L447 HydrophobicContact CG-CD2 4.13Å; M371-K470 HydrophobicContact CB-CD 3.96Å; M371-K470 HydrophobicContact CB-CG 3.87Å; M371-K470 HydrophobicContact CG-CG 4.48Å; M371-K470 HydrophobicContact SD-CG 3.9Å; M371-I473 HydrophobicContact CE-CB 4.01Å; M371-I473 HydrophobicContact CE-CD1 4.48Å; M371-I473 HydrophobicContact CE-CG2 3.45Å; M371-I473 VanDerWaalsContact CE-CG2 3.45Å; M371-L474 HydrophobicContact SD-CD2 4.15Å; M371-L474 HydrophobicContact SD-CG 4.2Å |
| 372 | D | 92.5 | Very high | 91 | Very high | 54 Ų | 54 | 48.7 Ų | 48.7 | 29% | 0.289 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -67.8 | -37.7 | 174.5 | -79.1 | -43.2 | 0 | 0 | 0 | 112 | E368 T369 K370 Y375 Q376 K470 | E368-D372 PolarHBondContact O-N 3.48Å; T369-D372 PolarHBondContact O-N 3.11Å; K370-D372 VanDerWaalsContact C-N 3.35Å; D372-Y375 PolarHBondContact O-N 2.87Å; D372-Q376 WeakPolarHBondContact O-CB 3.41Å; D372-Q376 VanDerWaalsContact O-CG 3.3Å; D372-Q376 WeakPolarHBondContact O-CG 3.37Å; D372-Q376 PolarHBondContact O-N 3.48Å; D372-K470 WeakPolarHBondContact OD1-CD 3.34Å; D372-K470 IonicContact OD1-NZ 2.69Å; D372-K470 PolarHBondContact OD1-NZ 2.8Å; D372-K470 IonicContact OD2-NZ 3.34Å; D372-K470 PolarHBondContact OD2-NZ 3.45Å |
| 373 | E | 91.5 | Very high | 90.5 | Very high | 85 Ų | 85 | 51.7 Ų | 51.7 | 40% | 0.397 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.2 | -48.3 | 172.1 | -71.8 | 174.7 | -150.6 | 0 | 0 | 112.2 | T369 K370 Y375 Q376 A377 | T369-E373 PolarHBondContact O-N 2.92Å; K370-E373 VanDerWaalsContact CD-OE2 3.22Å; K370-E373 WeakPolarHBondContact CD-OE2 3.37Å; K370-E373 WeakPolarHBondContact CE-OE2 3.44Å; K370-E373 IonicContact NZ-OE1 3.98Å; K370-E373 IonicContact NZ-OE2 2.67Å; K370-E373 PolarHBondContact NZ-OE2 3.47Å; K370-E373 PolarHBondContact O-N 3.48Å; E373-Y375 VanDerWaalsContact C-N 3.34Å; E373-Y375 PolarHBondContact O-N 3.13Å; E373-Q376 PolarHBondContact O-N 3.32Å; E373-A377 PolarHBondContact O-N 2.89Å |
| 374 | V | 90.6 | Very high | 90 | Very high | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.006 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.4 | -42 | 175.2 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | K370 A377 V378 L387 A390 L391 M394 L447 L451 | K370-V374 WeakPolarHBondContact O-CG2 3.37Å; K370-V374 PolarHBondContact O-N 2.98Å; V374-A377 WeakPolarHBondContact O-CB 2.9Å; V374-A377 PolarHBondContact O-N 2.88Å; V374-V378 WeakPolarHBondContact O-CG2 3.22Å; V374-V378 PolarHBondContact O-N 2.88Å; V374-V378 VanDerWaalsContact O-N 3.09Å; V374-L387 HydrophobicContact CG1-CD1 4.21Å; V374-A390 HydrophobicContact CG2-CB 3.85Å; V374-L391 HydrophobicContact CG1-CD2 3.97Å; V374-L391 HydrophobicContact CG1-CG 4.47Å; V374-L391 HydrophobicContact CG2-CD2 4.32Å; V374-M394 HydrophobicContact CG2-CB 4.28Å; V374-M394 HydrophobicContact CG2-SD 4.04Å; V374-L447 HydrophobicContact CB-CD2 4.29Å; V374-L447 HydrophobicContact CG1-CD2 3.97Å; V374-L451 HydrophobicContact CG1-CD2 4.14Å |
| 375 | Y | 88.9 | Confident | 89.6 | Confident | 46 Ų | 46 | 61.4 Ų | 61.4 | 18% | 0.18 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.9 | -41.7 | 177.5 | 174.3 | -135.2 | 0 | 0 | 0 | 112.3 | M371 D372 E373 A377 V378 L379 G463 M466 D467 | M371-Y375 VanDerWaalsContact O-CB 3.25Å; M371-Y375 WeakPolarHBondContact O-CB 3.24Å; M371-Y375 PolarHBondContact O-N 3.24Å; D372-Y375 PolarHBondContact O-N 2.87Å; E373-Y375 VanDerWaalsContact C-N 3.34Å; E373-Y375 PolarHBondContact O-N 3.13Å; Y375-A377 VanDerWaalsContact C-N 3.34Å; Y375-A377 PolarHBondContact O-N 3.29Å; Y375-V378 PolarHBondContact O-N 3.28Å; Y375-L379 HydrophobicContact CD1-CD1 4.42Å; Y375-L379 HydrophobicContact CD2-CD1 4.34Å; Y375-L379 HydrophobicContact CD2-CG 4.03Å; Y375-L379 HydrophobicContact CE1-CD1 3.92Å; Y375-L379 HydrophobicContact CE2-CD1 3.8Å; Y375-L379 HydrophobicContact CE2-CD2 3.76Å; Y375-L379 HydrophobicContact CE2-CG 3.61Å; Y375-L379 WeakPolarHBondContact O-CG 3.39Å; Y375-L379 PolarHBondContact O-N 3.05Å; Y375-G463 VanDerWaalsContact CE2-O 3.26Å; Y375-G463 WeakPolarHBondContact CE2-O 3.34Å; Y375-M466 HydrophobicContact CD2-CB 4.06Å; Y375-D467 HydrophobicContact CE1-CB 4.43Å; Y375-D467 HydrophobicContact CE2-CB 4.24Å |
| 376 | Q | 89.4 | Confident | 89.2 | Confident | 85 Ų | 85 | 61.5 Ų | 61.5 | 40% | 0.397 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.7 | -38.1 | 174.1 | -71.4 | -56 | -47.9 | 0 | 0 | 112.1 | D372 E373 V378 L379 Q380 | D372-Q376 WeakPolarHBondContact O-CB 3.41Å; D372-Q376 VanDerWaalsContact O-CG 3.3Å; D372-Q376 WeakPolarHBondContact O-CG 3.37Å; D372-Q376 PolarHBondContact O-N 3.48Å; E373-Q376 PolarHBondContact O-N 3.32Å; Q376-V378 PolarHBondContact O-N 3.08Å; Q376-L379 PolarHBondContact O-N 2.71Å; Q376-Q380 WeakPolarHBondContact O-CB 3.04Å; Q376-Q380 WeakPolarHBondContact O-CG 3.41Å; Q376-Q380 PolarHBondContact O-N 3.38Å |
| 377 | A | 88.1 | Confident | 88.8 | Confident | 15 Ų | 15 | 60.1 Ų | 60.1 | 12% | 0.124 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.1 | -42.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | E373 V374 Y375 Q380 G381 A382 L387 | E373-A377 PolarHBondContact O-N 2.89Å; V374-A377 WeakPolarHBondContact O-CB 2.9Å; V374-A377 PolarHBondContact O-N 2.88Å; Y375-A377 VanDerWaalsContact C-N 3.34Å; Y375-A377 PolarHBondContact O-N 3.29Å; A377-Q380 PolarHBondContact O-N 3.02Å; A377-G381 PolarHBondContact O-N 3.35Å; A377-A382 HydrophobicContact CB-CB 4.04Å; A377-A382 WeakPolarHBondContact O-CB 3.29Å; A377-A382 PolarHBondContact O-N 2.99Å; A377-L387 HydrophobicContact CB-CD1 4.16Å |
| 378 | V | 87.2 | Confident | 88.4 | Confident | 24 Ų | 24 | 66.5 Ų | 66.5 | 15% | 0.145 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.4 | -46.5 | 174.4 | 175.3 | 0 | 0 | 0 | 0 | 111.5 | V374 Y375 Q376 Q380 G381 L387 L451 A462 | V374-V378 WeakPolarHBondContact O-CG2 3.22Å; V374-V378 PolarHBondContact O-N 2.88Å; V374-V378 VanDerWaalsContact O-N 3.09Å; Y375-V378 PolarHBondContact O-N 3.28Å; Q376-V378 PolarHBondContact O-N 3.08Å; V378-Q380 VanDerWaalsContact C-N 3.29Å; V378-Q380 PolarHBondContact O-N 2.93Å; V378-G381 PolarHBondContact O-N 2.79Å; V378-L387 HydrophobicContact CG2-CD1 3.68Å; V378-L387 HydrophobicContact CG2-CD2 4.34Å; V378-L451 HydrophobicContact CG2-CD1 3.75Å; V378-L451 HydrophobicContact CG2-CD2 4.45Å; V378-A462 HydrophobicContact CG1-CB 4.37Å |
| 379 | L | 86.6 | Confident | 88.1 | Confident | 91 Ų | 91 | 69.6 Ų | 69.6 | 48% | 0.476 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63 | -33.3 | 178.6 | -73.5 | -178.3 | 0 | 0 | 0 | 113.6 | Y375 Q376 G381 | Y375-L379 HydrophobicContact CD1-CD1 4.42Å; Y375-L379 HydrophobicContact CD2-CD1 4.34Å; Y375-L379 HydrophobicContact CD2-CG 4.03Å; Y375-L379 HydrophobicContact CE1-CD1 3.92Å; Y375-L379 HydrophobicContact CE2-CD1 3.8Å; Y375-L379 HydrophobicContact CE2-CD2 3.76Å; Y375-L379 HydrophobicContact CE2-CG 3.61Å; Y375-L379 WeakPolarHBondContact O-CG 3.39Å; Y375-L379 PolarHBondContact O-N 3.05Å; Q376-L379 PolarHBondContact O-N 2.71Å; L379-G381 PolarHBondContact O-N 3.1Å |
| 380 | Q | 87.2 | Confident | 87.8 | Confident | 145 Ų | 145 | 66.8 Ų | 66.8 | 68% | 0.678 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -1.9 | -180 | -69.5 | 171 | 33.8 | 0 | 0 | 113 | Q376 A377 V378 A382 | Q376-Q380 WeakPolarHBondContact O-CB 3.04Å; Q376-Q380 WeakPolarHBondContact O-CG 3.41Å; Q376-Q380 PolarHBondContact O-N 3.38Å; A377-Q380 PolarHBondContact O-N 3.02Å; V378-Q380 VanDerWaalsContact C-N 3.29Å; V378-Q380 PolarHBondContact O-N 2.93Å; Q380-A382 VanDerWaalsContact C-N 3.28Å; Q380-A382 PolarHBondContact O-N 3.48Å |
| 381 | G | 80.3 | Confident | 87.5 | Confident | 66 Ų | 66 | 66.8 Ų | 66.8 | 68% | 0.68 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | 36.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A377 V378 L379 | A377-G381 PolarHBondContact O-N 3.35Å; V378-G381 PolarHBondContact O-N 2.79Å; L379-G381 PolarHBondContact O-N 3.1Å |
| 382 | A | 80.2 | Confident | 87.1 | Confident | 32 Ų | 32 | 68.7 Ų | 68.7 | 26% | 0.264 | 37% | 0.368 | S | S | . | . | trans | -58.2 | 145 | 179 | 0 | 0 | 0 | 0 | 0 | 111.1 | A377 Q380 K386 | A377-A382 HydrophobicContact CB-CB 4.04Å; A377-A382 WeakPolarHBondContact O-CB 3.29Å; A377-A382 PolarHBondContact O-N 2.99Å; Q380-A382 VanDerWaalsContact C-N 3.28Å; Q380-A382 PolarHBondContact O-N 3.48Å; A382-K386 HydrophobicContact CB-CB 4.09Å; A382-K386 HydrophobicContact CB-CD 4.46Å | ||
| 383 | D | 84.6 | Confident | 86.9 | Confident | 76 Ų | 76 | 69.9 Ų | 69.9 | 41% | 0.406 | 37% | 0.372 | S | S | . | . | trans | -60.1 | 158.5 | 173 | 50.2 | 75.1 | 0 | 0 | 0 | 112.4 | D385 K386 L387 | D383-D385 PolarHBondContact O-N 3.3Å; D383-D385 VanDerWaalsContact O-N 3.11Å; D383-K386 PolarHBondContact O-N 2.83Å; D383-K386 WeakPolarHBondContact OD1-CB 3.48Å; D383-K386 WeakPolarHBondContact OD1-CG 3.49Å; D383-K386 PolarHBondContact OD1-N 3.45Å; D383-K386 IonicContact OD1-NZ 3.12Å; D383-K386 PolarHBondContact OD1-NZ 3.3Å; D383-K386 IonicContact OD2-NZ 2.6Å; D383-K386 PolarHBondContact OD2-NZ 3.15Å; D383-L387 PolarHBondContact O-N 3.48Å | ||
| 384 | H | 83.4 | Confident | 86.8 | Confident | 139 Ų | 139 | 66 Ų | 66 | 64% | 0.644 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -52.5 | -34.9 | -177.4 | 176.8 | -85.6 | 0 | 0 | 0 | 112.8 | K388 | H384-K388 WeakPolarHBondContact O-CB 3.21Å; H384-K388 PolarHBondContact O-N 2.97Å |
| 385 | D | 87.1 | Confident | 86.5 | Confident | 109 Ų | 109 | 67.7 Ų | 67.7 | 58% | 0.583 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -79.4 | -37.9 | -175.9 | -62.2 | -36.4 | 0 | 0 | 0 | 112.5 | D383 K388 Q389 | D383-D385 PolarHBondContact O-N 3.3Å; D383-D385 VanDerWaalsContact O-N 3.11Å; D385-K388 PolarHBondContact O-N 3.31Å; D385-Q389 WeakPolarHBondContact O-CB 3.42Å; D385-Q389 PolarHBondContact O-N 3.15Å |
| 386 | K | 87.1 | Confident | 86.3 | Confident | 115 Ų | 115 | 70.3 Ų | 70.3 | 50% | 0.5 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.7 | -42.2 | 167 | -75.9 | 177.6 | -170.2 | 67.5 | 0 | 112.1 | A382 D383 Q389 A390 | A382-K386 HydrophobicContact CB-CB 4.09Å; A382-K386 HydrophobicContact CB-CD 4.46Å; D383-K386 PolarHBondContact O-N 2.83Å; D383-K386 WeakPolarHBondContact OD1-CB 3.48Å; D383-K386 WeakPolarHBondContact OD1-CG 3.49Å; D383-K386 PolarHBondContact OD1-N 3.45Å; D383-K386 IonicContact OD1-NZ 3.12Å; D383-K386 PolarHBondContact OD1-NZ 3.3Å; D383-K386 IonicContact OD2-NZ 2.6Å; D383-K386 PolarHBondContact OD2-NZ 3.15Å; K386-Q389 PolarHBondContact O-N 3.47Å; K386-A390 PolarHBondContact O-N 3.16Å |
| 387 | L | 86.7 | Confident | 86.2 | Confident | 20 Ų | 20 | 67 Ų | 67 | 11% | 0.105 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65.1 | -42.7 | 178.1 | -174.6 | 58.8 | 0 | 0 | 0 | 111.2 | V374 A377 V378 D383 A390 L391 L451 M455 | V374-L387 HydrophobicContact CG1-CD1 4.21Å; A377-L387 HydrophobicContact CB-CD1 4.16Å; V378-L387 HydrophobicContact CG2-CD1 3.68Å; V378-L387 HydrophobicContact CG2-CD2 4.34Å; D383-L387 PolarHBondContact O-N 3.48Å; L387-A390 PolarHBondContact O-N 3.46Å; L387-L391 HydrophobicContact CG-CD1 4.38Å; L387-L391 VanDerWaalsContact O-CG 3.29Å; L387-L391 WeakPolarHBondContact O-CG 3.35Å; L387-L391 PolarHBondContact O-N 3.32Å; L387-L451 HydrophobicContact CD1-CD2 4.06Å; L387-L451 HydrophobicContact CD2-CD2 4.24Å; L387-L451 HydrophobicContact CG-CD2 4.29Å; L387-M455 HydrophobicContact CD2-SD 4.41Å |
| 388 | K | 86.8 | Confident | 86.1 | Confident | 135 Ų | 135 | 70.3 Ų | 70.3 | 59% | 0.587 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -63.4 | -37.5 | 173.6 | -177 | -178.3 | 175.3 | -170.8 | 0 | 112.6 | H384 D385 G392 | H384-K388 WeakPolarHBondContact O-CB 3.21Å; H384-K388 PolarHBondContact O-N 2.97Å; D385-K388 PolarHBondContact O-N 3.31Å; K388-G392 PolarHBondContact O-N 2.87Å |
| 389 | Q | 88.3 | Confident | 86.3 | Confident | 120 Ų | 120 | 69.6 Ų | 69.6 | 56% | 0.561 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -62.7 | -50.8 | 172.5 | -178.3 | -173.9 | -24.4 | 0 | 0 | 110.9 | D385 K386 L391 G392 E393 | D385-Q389 WeakPolarHBondContact O-CB 3.42Å; D385-Q389 PolarHBondContact O-N 3.15Å; K386-Q389 PolarHBondContact O-N 3.47Å; Q389-L391 VanDerWaalsContact C-N 3.3Å; Q389-L391 PolarHBondContact O-N 3.12Å; Q389-G392 WeakPolarHBondContact O-CA 3.34Å; Q389-G392 PolarHBondContact O-N 3.4Å; Q389-E393 PolarHBondContact NE2-OE1 3.46Å; Q389-E393 PolarHBondContact O-N 3Å |
| 390 | A | 88.9 | Confident | 86.3 | Confident | 15 Ų | 15 | 67.2 Ų | 67.2 | 12% | 0.124 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.8 | -39.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V374 K386 L387 E393 M394 | V374-A390 HydrophobicContact CG2-CB 3.85Å; K386-A390 PolarHBondContact O-N 3.16Å; L387-A390 PolarHBondContact O-N 3.46Å; A390-E393 PolarHBondContact O-N 3.46Å; A390-M394 WeakPolarHBondContact O-CB 3.32Å; A390-M394 PolarHBondContact O-N 2.97Å |
| 391 | L | 88.2 | Confident | 86.4 | Confident | 26 Ų | 26 | 65.9 Ų | 65.9 | 14% | 0.136 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.5 | -42 | 172.1 | -72.1 | 166.3 | 0 | 0 | 0 | 112.4 | V374 L387 Q389 M394 A395 E448 L451 | V374-L391 HydrophobicContact CG1-CD2 3.97Å; V374-L391 HydrophobicContact CG1-CG 4.47Å; V374-L391 HydrophobicContact CG2-CD2 4.32Å; L387-L391 HydrophobicContact CG-CD1 4.38Å; L387-L391 VanDerWaalsContact O-CG 3.29Å; L387-L391 WeakPolarHBondContact O-CG 3.35Å; L387-L391 PolarHBondContact O-N 3.32Å; Q389-L391 VanDerWaalsContact C-N 3.3Å; Q389-L391 PolarHBondContact O-N 3.12Å; L391-M394 HydrophobicContact CD2-CE 3.69Å; L391-M394 PolarHBondContact O-N 2.94Å; L391-A395 WeakPolarHBondContact O-CB 3.44Å; L391-A395 PolarHBondContact O-N 2.72Å; L391-E448 HydrophobicContact CD1-CG 4.34Å; L391-E448 HydrophobicContact CD2-CB 4.4Å; L391-E448 HydrophobicContact CD2-CG 4.38Å; L391-L451 HydrophobicContact CD1-CD2 3.94Å; L391-L451 HydrophobicContact CD2-CD2 3.94Å; L391-L451 HydrophobicContact CG-CD2 4.3Å |
| 392 | G | 86.4 | Confident | 87 | Confident | 44 Ų | 44 | 63 Ų | 63 | 45% | 0.454 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.8 | -44 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | K388 Q389 M394 A395 R396 | K388-G392 PolarHBondContact O-N 2.87Å; Q389-G392 WeakPolarHBondContact O-CA 3.34Å; Q389-G392 PolarHBondContact O-N 3.4Å; G392-M394 VanDerWaalsContact C-N 3.3Å; G392-M394 PolarHBondContact O-N 3.19Å; G392-A395 PolarHBondContact O-N 3.43Å; G392-R396 PolarHBondContact O-N 2.81Å; G392-R396 VanDerWaalsContact O-N 3.12Å |
| 393 | E | 86.9 | Confident | 87.5 | Confident | 79 Ų | 79 | 61.9 Ų | 61.9 | 37% | 0.369 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.4 | -30.2 | 175.5 | -71.1 | -174.8 | -148.4 | 0 | 0 | 113.2 | K370 Q389 A390 R396 P397 | K370-E393 IonicContact NZ-OE2 3.07Å; K370-E393 PolarHBondContact NZ-OE2 2.99Å; Q389-E393 PolarHBondContact NE2-OE1 3.46Å; Q389-E393 PolarHBondContact O-N 3Å; A390-E393 PolarHBondContact O-N 3.46Å; E393-R396 CarbonylContact O-C 3.6Å; E393-P397 WeakPolarHBondContact O-CA 3.37Å |
| 394 | M | 89.1 | Confident | 87.9 | Confident | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.01 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -75.4 | -34.6 | 172.3 | 178.6 | -168.7 | 66.7 | 0 | 0 | 112.2 | M367 K370 M371 V374 A390 L391 G392 P397 A444 L447 | M367-M394 HydrophobicContact CE-CG 4.41Å; M367-M394 HydrophobicContact SD-CG 3.87Å; M367-M394 HydrophobicContact SD-SD 4.32Å; K370-M394 HydrophobicContact CB-CB 3.9Å; K370-M394 HydrophobicContact CB-CG 3.83Å; M371-M394 HydrophobicContact CG-SD 4.16Å; V374-M394 HydrophobicContact CG2-CB 4.28Å; V374-M394 HydrophobicContact CG2-SD 4.04Å; A390-M394 WeakPolarHBondContact O-CB 3.32Å; A390-M394 PolarHBondContact O-N 2.97Å; L391-M394 HydrophobicContact CD2-CE 3.69Å; L391-M394 PolarHBondContact O-N 2.94Å; G392-M394 VanDerWaalsContact C-N 3.3Å; G392-M394 PolarHBondContact O-N 3.19Å; M394-P397 WeakPolarHBondContact O-CD 3.3Å; M394-A444 HydrophobicContact CE-CB 3.89Å; M394-A444 HydrophobicContact CG-CB 4.31Å; M394-L447 HydrophobicContact CE-CB 4.08Å; M394-L447 HydrophobicContact CE-CD2 3.71Å; M394-L447 HydrophobicContact CE-CG 4.47Å; M394-L447 HydrophobicContact SD-CB 4.38Å; M394-L447 HydrophobicContact SD-CD2 3.35Å; M394-L447 WeakPolarHBondContact SD-CD2 3.16Å; M394-L447 HydrophobicContact SD-CG 4.45Å |
| 395 | A | 86.3 | Confident | 88.3 | Confident | 37 Ų | 37 | 60.2 Ų | 60.2 | 31% | 0.306 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -71.6 | -32.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L391 G392 A444 | L391-A395 WeakPolarHBondContact O-CB 3.44Å; L391-A395 PolarHBondContact O-N 2.72Å; G392-A395 PolarHBondContact O-N 3.43Å; A395-A444 HydrophobicContact CB-CB 4.16Å |
| 396 | R | 84.3 | Confident | 88.7 | Confident | 102 Ų | 102 | 55 Ų | 55 | 39% | 0.385 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -132.9 | 73.9 | 172.4 | -66 | -166.9 | 177.9 | 103.3 | 11.4 | 111.8 | G392 E393 | G392-R396 PolarHBondContact O-N 2.81Å; G392-R396 VanDerWaalsContact O-N 3.12Å; E393-R396 CarbonylContact O-C 3.6Å |
| 397 | P | 87.2 | Confident | 88.8 | Confident | 16 Ų | 16 | 51.6 Ų | 51.6 | 10% | 0.104 | 27% | 0.273 | C | S | . | . | trans | -77.1 | 159.3 | 175.9 | 34.1 | -31.1 | 0 | 0 | 0 | 109.9 | L366 K370 E393 M394 L399 M440 | L366-P397 HydrophobicContact CD2-CB 4.08Å; L366-P397 HydrophobicContact CD2-CG 4.32Å; L366-P397 HydrophobicContact CG-CB 4.22Å; K370-P397 HydrophobicContact CG-CB 4.49Å; E393-P397 WeakPolarHBondContact O-CA 3.37Å; M394-P397 WeakPolarHBondContact O-CD 3.3Å; P397-L399 HydrophobicContact CG-CD2 4.13Å; P397-L399 PolarHBondContact O-N 3.17Å; P397-M440 HydrophobicContact CG-CE 3.7Å | ||
| 398 | N | 86.5 | Confident | 89 | Confident | 84 Ų | 84 | 52.6 Ų | 52.6 | 45% | 0.449 | 28% | 0.282 | S | S | . | . | trans | -68.9 | 104.8 | 177.8 | -177.6 | -1.2 | 0 | 0 | 0 | 110.9 | L400 | N398-L400 VanDerWaalsContact C-N 3.35Å; N398-L400 WeakPolarHBondContact OD1-CB 3.24Å; N398-L400 PolarHBondContact OD1-N 3.1Å | ||
| 399 | L | 89.7 | Confident | 89 | Confident | 8 Ų | 8 | 46.2 Ų | 46.2 | 4% | 0.042 | 25% | 0.254 | C | S | . | . | trans | -87.2 | 4.7 | -178.5 | -62.7 | -179.2 | 0 | 0 | 0 | 114.1 | L366 P397 D401 C402 C403 L436 Q437 M440 | L366-L399 HydrophobicContact CD2-CD2 4.1Å; P397-L399 HydrophobicContact CG-CD2 4.13Å; P397-L399 PolarHBondContact O-N 3.17Å; L399-D401 PolarHBondContact O-N 2.88Å; L399-C402 WeakPolarHBondContact O-CB 3.4Å; L399-C402 PolarHBondContact O-N 2.77Å; L399-C403 PolarHBondContact O-N 2.71Å; L399-C403 PolarHBondContact O-SG 2.99Å; L399-L436 HydrophobicContact CD1-CD2 3.95Å; L399-L436 HydrophobicContact CD2-CD2 4.11Å; L399-Q437 HydrophobicContact CD1-CB 3.8Å; L399-Q437 HydrophobicContact CD1-CG 3.91Å; L399-M440 HydrophobicContact CD2-CE 3.86Å; L399-M440 HydrophobicContact CD2-CG 4.12Å | ||
| 400 | L | 87.6 | Confident | 88.8 | Confident | 42 Ų | 42 | 44.2 Ų | 44.2 | 22% | 0.22 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -54.2 | -49.7 | -172.3 | -177.5 | 61.1 | 0 | 0 | 0 | 113 | I186 N398 C402 C403 L404 | I186-L400 HydrophobicContact CG2-CD1 4.47Å; N398-L400 VanDerWaalsContact C-N 3.35Å; N398-L400 WeakPolarHBondContact OD1-CB 3.24Å; N398-L400 PolarHBondContact OD1-N 3.1Å; L400-C402 VanDerWaalsContact C-N 3.29Å; L400-C402 PolarHBondContact O-N 3.3Å; L400-C403 PolarHBondContact O-N 3.44Å; L400-L404 HydrophobicContact CD1-CD1 4.3Å; L400-L404 HydrophobicContact CD1-CG 4.29Å; L400-L404 HydrophobicContact CG-CD1 4.07Å; L400-L404 HydrophobicContact CG-CG 4.48Å; L400-L404 WeakPolarHBondContact O-CG 3.13Å; L400-L404 PolarHBondContact O-N 2.98Å |
| 401 | D | 89.4 | Confident | 88.5 | Confident | 117 Ų | 117 | 48.6 Ų | 48.6 | 63% | 0.626 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -66.3 | -30.7 | 179.6 | -68.3 | -19.1 | 0 | 0 | 0 | 112.9 | L399 K405 | L399-D401 PolarHBondContact O-N 2.88Å; D401-K405 WeakPolarHBondContact O-CG 3.32Å; D401-K405 PolarHBondContact O-N 2.85Å |
| 402 | C | 92.8 | Very high | 88 | Confident | 6 Ų | 6 | 50.2 Ų | 50.2 | 4% | 0.041 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -71 | -41.7 | 174.2 | -58.2 | 0 | 0 | 0 | 0 | 110.4 | S363 L399 L400 K405 I406 L436 | S363-C402 PolarHBondContact N-SG 2.87Å; L399-C402 WeakPolarHBondContact O-CB 3.4Å; L399-C402 PolarHBondContact O-N 2.77Å; L400-C402 VanDerWaalsContact C-N 3.29Å; L400-C402 PolarHBondContact O-N 3.3Å; C402-K405 PolarHBondContact O-N 3.43Å; C402-I406 PolarHBondContact O-N 2.91Å; C402-L436 HydrophobicContact CB-CD1 4.32Å; C402-L436 HydrophobicContact CB-CD2 4.39Å |
| 403 | C | 91.3 | Very high | 87.6 | Confident | 8 Ų | 8 | 48.4 Ų | 48.4 | 5% | 0.054 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.8 | -44 | 177 | -65.5 | 0 | 0 | 0 | 0 | 111.7 | L399 L400 K405 I406 S407 Q433 | L399-C403 PolarHBondContact O-N 2.71Å; L399-C403 PolarHBondContact O-SG 2.99Å; L400-C403 PolarHBondContact O-N 3.44Å; C403-K405 VanDerWaalsContact C-N 3.3Å; C403-K405 PolarHBondContact O-N 2.95Å; C403-I406 WeakPolarHBondContact O-CB 3.32Å; C403-I406 PolarHBondContact O-N 2.92Å; C403-I406 VanDerWaalsContact O-N 3.08Å; C403-S407 PolarHBondContact O-N 3.16Å; C403-S407 PolarHBondContact O-OG 3.16Å; C403-Q433 HydrophobicContact CB-CG 4.08Å; C403-Q433 PolarHBondContact O-NE2 2.92Å |
| 404 | L | 91.2 | Very high | 87.3 | Confident | 98 Ų | 98 | 49.7 Ų | 49.7 | 51% | 0.513 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.9 | -37.9 | 178.5 | -73.7 | 171.6 | 0 | 0 | 0 | 112.5 | L400 I406 S407 S408 | L400-L404 HydrophobicContact CD1-CD1 4.3Å; L400-L404 HydrophobicContact CD1-CG 4.29Å; L400-L404 HydrophobicContact CG-CD1 4.07Å; L400-L404 HydrophobicContact CG-CG 4.48Å; L400-L404 WeakPolarHBondContact O-CG 3.13Å; L400-L404 PolarHBondContact O-N 2.98Å; L404-I406 VanDerWaalsContact C-N 3.35Å; L404-I406 PolarHBondContact O-N 2.92Å; L404-S407 PolarHBondContact O-N 3Å; L404-S408 PolarHBondContact O-N 2.78Å; L404-S408 VanDerWaalsContact O-N 3.08Å |
| 405 | K | 93.5 | Very high | 86.9 | Confident | 81 Ų | 81 | 54.8 Ų | 54.8 | 35% | 0.352 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59 | -44.8 | 172.7 | -74.4 | 170.4 | 176.4 | -173.8 | 0 | 111.8 | P355 A362 D401 C402 C403 S408 | P355-K405 VanDerWaalsContact CB-O 3.29Å; P355-K405 WeakPolarHBondContact CB-O 3.4Å; A362-K405 HydrophobicContact CB-CD 4Å; D401-K405 WeakPolarHBondContact O-CG 3.32Å; D401-K405 PolarHBondContact O-N 2.85Å; C402-K405 PolarHBondContact O-N 3.43Å; C403-K405 VanDerWaalsContact C-N 3.3Å; C403-K405 PolarHBondContact O-N 2.95Å; K405-S408 PolarHBondContact O-N 2.63Å; K405-S408 PolarHBondContact O-OG 2.86Å |
| 406 | I | 94.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.8 | -42.9 | 175.2 | -57.1 | -178.9 | 0 | 0 | 0 | 111 | I356 F360 C402 C403 L404 S408 L409 T429 A432 Q433 L436 | I356-I406 HydrophobicContact CG1-CG2 4.27Å; F360-I406 HydrophobicContact CD2-CD1 4.39Å; F360-I406 HydrophobicContact CE2-CD1 4.27Å; C402-I406 PolarHBondContact O-N 2.91Å; C403-I406 WeakPolarHBondContact O-CB 3.32Å; C403-I406 PolarHBondContact O-N 2.92Å; C403-I406 VanDerWaalsContact O-N 3.08Å; L404-I406 VanDerWaalsContact C-N 3.35Å; L404-I406 PolarHBondContact O-N 2.92Å; I406-S408 PolarHBondContact O-N 3.02Å; I406-L409 WeakPolarHBondContact O-CB 3.3Å; I406-L409 PolarHBondContact O-N 3.06Å; I406-T429 HydrophobicContact CG2-CG2 4.29Å; I406-A432 HydrophobicContact CD1-CB 4.45Å; I406-A432 HydrophobicContact CG2-CB 4.07Å; I406-Q433 HydrophobicContact CB-CG 4.16Å; I406-Q433 HydrophobicContact CD1-CG 4.04Å; I406-Q433 HydrophobicContact CG2-CG 4.2Å; I406-L436 HydrophobicContact CD1-CD1 3.78Å |
| 407 | S | 90.6 | Very high | 86.5 | Confident | 43 Ų | 43 | 52.1 Ų | 52.1 | 30% | 0.301 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.6 | -28.1 | 179.7 | -67 | 0 | 0 | 0 | 0 | 113.8 | C403 L404 L409 Q410 Q433 | C403-S407 PolarHBondContact O-N 3.16Å; C403-S407 PolarHBondContact O-OG 3.16Å; L404-S407 PolarHBondContact O-N 3Å; S407-L409 PolarHBondContact O-N 2.57Å; S407-Q410 PolarHBondContact O-N 2.94Å; S407-Q433 PolarHBondContact OG-NE2 3.14Å |
| 408 | S | 90.1 | Very high | 86.3 | Confident | 41 Ų | 41 | 59.7 Ų | 59.7 | 29% | 0.287 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -15.2 | 176.4 | 75.3 | 0 | 0 | 0 | 0 | 114.3 | P355 L404 K405 I406 Q410 D411 | P355-S408 WeakPolarHBondContact CB-OG 3.34Å; L404-S408 PolarHBondContact O-N 2.78Å; L404-S408 VanDerWaalsContact O-N 3.08Å; K405-S408 PolarHBondContact O-N 2.63Å; K405-S408 PolarHBondContact O-OG 2.86Å; I406-S408 PolarHBondContact O-N 3.02Å; S408-Q410 PolarHBondContact O-N 3.12Å; S408-D411 PolarHBondContact O-N 3.2Å; S408-D411 VanDerWaalsContact O-N 3.13Å |
| 409 | L | 87 | Confident | 86.2 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -54.2 | -37.5 | 170.1 | -177.6 | 64 | 0 | 0 | 0 | 112.9 | E351 L352 P355 I356 I406 S407 D411 K412 L413 L425 | E351-L409 WeakPolarHBondContact O-CD1 3.43Å; L352-L409 HydrophobicContact CD2-CD1 3.97Å; L352-L409 HydrophobicContact CD2-CD2 3.87Å; L352-L409 HydrophobicContact CD2-CG 4.49Å; P355-L409 HydrophobicContact CB-CB 4.26Å; P355-L409 HydrophobicContact CG-CB 3.84Å; P355-L409 HydrophobicContact CG-CD1 3.63Å; P355-L409 HydrophobicContact CG-CG 4.31Å; I356-L409 HydrophobicContact CD1-CD2 4.19Å; I406-L409 WeakPolarHBondContact O-CB 3.3Å; I406-L409 PolarHBondContact O-N 3.06Å; S407-L409 PolarHBondContact O-N 2.57Å; L409-D411 PolarHBondContact O-N 3.18Å; L409-K412 PolarHBondContact O-N 2.84Å; L409-L413 HydrophobicContact CD1-CD1 3.69Å; L409-L413 HydrophobicContact CD1-CD2 4.06Å; L409-L413 HydrophobicContact CD1-CG 3.71Å; L409-L413 HydrophobicContact CD2-CD1 4.32Å; L409-L413 HydrophobicContact CG-CD1 3.77Å; L409-L413 HydrophobicContact CG-CG 4.12Å; L409-L413 PolarHBondContact O-N 2.59Å; L409-L425 HydrophobicContact CD2-CD2 3.83Å |
| 410 | Q | 83.3 | Confident | 86 | Confident | 78 Ų | 78 | 61.6 Ų | 61.6 | 36% | 0.364 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -67 | -20.7 | -180 | -67.8 | -166.4 | -16.8 | 0 | 0 | 113.4 | S407 S408 K414 T426 | S407-Q410 PolarHBondContact O-N 2.94Å; S408-Q410 PolarHBondContact O-N 3.12Å; Q410-K414 WeakPolarHBondContact O-CE 3.15Å; Q410-K414 WeakPolarHBondContact O-CG 3.37Å; Q410-T426 PolarHBondContact NE2-OG1 2.89Å |
| 411 | D | 82.5 | Confident | 85.7 | Confident | 108 Ų | 108 | 61.4 Ų | 61.4 | 58% | 0.578 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -83.2 | -32.7 | 174.9 | -71.9 | -53.8 | 0 | 0 | 0 | 112.7 | S408 L409 K414 | S408-D411 PolarHBondContact O-N 3.2Å; S408-D411 VanDerWaalsContact O-N 3.13Å; L409-D411 PolarHBondContact O-N 3.18Å; D411-K414 IonicContact OD1-NZ 3.19Å; D411-K414 PolarHBondContact OD1-NZ 2.87Å |
| 412 | K | 78.1 | Confident | 85.3 | Confident | 60 Ų | 60 | 56.3 Ų | 56.3 | 26% | 0.261 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -74.9 | -50.6 | -178 | -63.6 | -177.4 | 179.7 | -177.9 | 0 | 112.3 | E354 L409 K414 H415 | E354-K412 IonicContact OE1-NZ 3.94Å; E354-K412 PolarHBondContact OE1-NZ 3.06Å; E354-K412 IonicContact OE2-NZ 2.79Å; E354-K412 PolarHBondContact OE2-NZ 3.45Å; L409-K412 PolarHBondContact O-N 2.84Å; K412-K414 PolarHBondContact O-N 2.81Å; K412-H415 PolarHBondContact O-ND1 3.11Å |
| 413 | L | 78.4 | Confident | 84.7 | Confident | 5 Ų | 5 | 58.4 Ų | 58.4 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | 1 | -173 | -57.3 | -178 | 0 | 0 | 0 | 115.1 | E351 L352 L409 H415 L416 Q417 F422 L425 I496 | E351-L413 HydrophobicContact CB-CD2 3.83Å; L352-L413 HydrophobicContact CD2-CD1 4.26Å; L409-L413 HydrophobicContact CD1-CD1 3.69Å; L409-L413 HydrophobicContact CD1-CD2 4.06Å; L409-L413 HydrophobicContact CD1-CG 3.71Å; L409-L413 HydrophobicContact CD2-CD1 4.32Å; L409-L413 HydrophobicContact CG-CD1 3.77Å; L409-L413 HydrophobicContact CG-CG 4.12Å; L409-L413 PolarHBondContact O-N 2.59Å; L413-H415 VanDerWaalsContact C-N 3.26Å; L413-H415 PolarHBondContact O-N 2.91Å; L413-L416 HydrophobicContact CD2-CD1 3.58Å; L413-L416 WeakPolarHBondContact O-CA 3.49Å; L413-L416 WeakPolarHBondContact O-CB 3.33Å; L413-L416 PolarHBondContact O-N 3.22Å; L413-Q417 PolarHBondContact O-N 3.17Å; L413-Q417 VanDerWaalsContact O-N 3.09Å; L413-F422 HydrophobicContact CB-CZ 4.29Å; L413-L425 HydrophobicContact CD1-CD2 3.79Å; L413-I496 HydrophobicContact CD1-CD1 4.45Å |
| 414 | K | 81.1 | Confident | 84.3 | Confident | 107 Ų | 107 | 59.4 Ų | 59.4 | 47% | 0.465 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -55.7 | -38.9 | -175.4 | -71.3 | 177.7 | -180 | 157.5 | 0 | 113.4 | Q410 D411 K412 L416 Q417 | Q410-K414 WeakPolarHBondContact O-CE 3.15Å; Q410-K414 WeakPolarHBondContact O-CG 3.37Å; D411-K414 IonicContact OD1-NZ 3.19Å; D411-K414 PolarHBondContact OD1-NZ 2.87Å; K412-K414 PolarHBondContact O-N 2.81Å; K414-L416 VanDerWaalsContact C-N 3.29Å; K414-L416 PolarHBondContact O-N 3.25Å; K414-Q417 WeakPolarHBondContact O-CB 3.2Å; K414-Q417 PolarHBondContact O-N 3Å |
| 415 | H | 79.9 | Confident | 84.1 | Confident | 109 Ų | 109 | 55.2 Ų | 55.2 | 51% | 0.505 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -74.1 | -20.1 | 178.9 | 78.2 | -81.4 | 0 | 0 | 0 | 113.3 | E351 K412 L413 | E351-H415 IonicContact OE1-CE1 2.64Å; E351-H415 PolarHBondContact OE1-CE1 2.97Å; E351-H415 VanDerWaalsContact OE1-CE1 3.23Å; E351-H415 IonicContact OE1-NE2 2.66Å; E351-H415 IonicContact OE2-CE1 2.6Å; E351-H415 PolarHBondContact OE2-CE1 2.88Å; E351-H415 VanDerWaalsContact OE2-CE1 3.31Å; K412-H415 PolarHBondContact O-ND1 3.11Å; L413-H415 VanDerWaalsContact C-N 3.26Å; L413-H415 PolarHBondContact O-N 2.91Å |
| 416 | L | 79.1 | Confident | 83.9 | Confident | 9 Ų | 9 | 53.3 Ų | 53.3 | 5% | 0.047 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -83.8 | -25.3 | 173.6 | -63.8 | 165.3 | 0 | 0 | 0 | 111.8 | V348 L413 K414 E418 R419 F420 F422 | V348-L416 HydrophobicContact CB-CD1 4.45Å; V348-L416 HydrophobicContact CG1-CD1 4.33Å; V348-L416 HydrophobicContact CG2-CD1 3.84Å; V348-L416 HydrophobicContact CG2-CD2 3.87Å; V348-L416 HydrophobicContact CG2-CG 4.44Å; L413-L416 HydrophobicContact CD2-CD1 3.58Å; L413-L416 WeakPolarHBondContact O-CA 3.49Å; L413-L416 WeakPolarHBondContact O-CB 3.33Å; L413-L416 PolarHBondContact O-N 3.22Å; K414-L416 VanDerWaalsContact C-N 3.29Å; K414-L416 PolarHBondContact O-N 3.25Å; L416-E418 VanDerWaalsContact C-N 3.34Å; L416-E418 PolarHBondContact O-N 3.41Å; L416-R419 PolarHBondContact O-N 2.93Å; L416-R419 VanDerWaalsContact O-N 3.14Å; L416-F420 HydrophobicContact CB-CD2 4.45Å; L416-F420 HydrophobicContact CD2-CD2 4.46Å; L416-F420 HydrophobicContact CD2-CE2 4.11Å; L416-F420 PolarHBondContact O-N 3.45Å; L416-F422 HydrophobicContact CB-CE1 4.26Å; L416-F422 HydrophobicContact CB-CZ 4.27Å; L416-F422 WeakPolarHBondContact O-CE1 3.42Å |
| 417 | Q | 84.1 | Confident | 83.7 | Confident | 73 Ų | 73 | 55.4 Ų | 55.4 | 34% | 0.341 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.4 | -39.8 | 175.2 | 135.2 | 168.3 | 93.6 | 0 | 0 | 111.9 | L413 K414 R419 G421 F422 S423 | L413-Q417 PolarHBondContact O-N 3.17Å; L413-Q417 VanDerWaalsContact O-N 3.09Å; K414-Q417 WeakPolarHBondContact O-CB 3.2Å; K414-Q417 PolarHBondContact O-N 3Å; Q417-R419 VanDerWaalsContact C-N 3.33Å; Q417-G421 VanDerWaalsContact O-CA 3.24Å; Q417-G421 WeakPolarHBondContact O-CA 3.47Å; Q417-G421 PolarHBondContact O-N 3.01Å; Q417-F422 HydrophobicContact CB-CD2 4.27Å; Q417-F422 HydrophobicContact CB-CE1 4.27Å; Q417-F422 HydrophobicContact CB-CE2 3.9Å; Q417-F422 HydrophobicContact CB-CZ 3.89Å; Q417-F422 WeakPolarHBondContact CG-O 3.43Å; Q417-F422 PolarHBondContact NE2-O 3.46Å; Q417-S423 VanDerWaalsContact NE2-C 3.34Å; Q417-S423 PolarHBondContact NE2-O 2.66Å |
| 418 | E | 82.1 | Confident | 83.7 | Confident | 175 Ų | 175 | 54.2 Ų | 54.2 | 82% | 0.818 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -64.9 | -37.1 | 172.8 | -64.5 | -175.2 | 170.3 | 0 | 0 | 112.2 | L416 | L416-E418 VanDerWaalsContact C-N 3.34Å; L416-E418 PolarHBondContact O-N 3.41Å |
| 419 | R | 84.8 | Confident | 83.8 | Confident | 126 Ų | 126 | 52.4 Ų | 52.4 | 48% | 0.475 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -74.3 | -48.4 | -175.5 | -175.2 | 176 | -170.6 | 114.5 | 23.2 | 113.4 | Y344 L416 Q417 | Y344-R419 PolarHBondContact OH-NH2 3.48Å; L416-R419 PolarHBondContact O-N 2.93Å; L416-R419 VanDerWaalsContact O-N 3.14Å; Q417-R419 VanDerWaalsContact C-N 3.33Å |
| 420 | F | 84.9 | Confident | 84.2 | Confident | 7 Ų | 7 | 53.6 Ų | 53.6 | 3% | 0.031 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -100 | -10.9 | -174.9 | -65.1 | -70 | 0 | 0 | 0 | 113.2 | Y344 V348 L416 F422 I496 M497 F500 | Y344-F420 HydrophobicContact CD2-CZ 4.22Å; Y344-F420 HydrophobicContact CG-CZ 4.21Å; V348-F420 HydrophobicContact CG2-CE2 4.19Å; L416-F420 HydrophobicContact CB-CD2 4.45Å; L416-F420 HydrophobicContact CD2-CD2 4.46Å; L416-F420 HydrophobicContact CD2-CE2 4.11Å; L416-F420 PolarHBondContact O-N 3.45Å; F420-F422 HydrophobicContact CB-CD1 4Å; F420-F422 HydrophobicContact CB-CE1 4.22Å; F420-I496 HydrophobicContact CB-CG2 3.97Å; F420-I496 HydrophobicContact CD2-CG2 4.2Å; F420-I496 HydrophobicContact CG-CG2 4.13Å; F420-M497 HydrophobicContact CD1-CE 4.47Å; F420-M497 HydrophobicContact CD1-SD 3.64Å; F420-M497 HydrophobicContact CD2-CE 4.36Å; F420-M497 HydrophobicContact CD2-SD 4.42Å; F420-M497 HydrophobicContact CE1-CE 4.04Å; F420-M497 HydrophobicContact CE1-SD 3.52Å; F420-M497 VanDerWaalsContact CE1-SD 3.52Å; F420-M497 HydrophobicContact CE2-CE 3.9Å; F420-M497 HydrophobicContact CE2-SD 4.31Å; F420-M497 HydrophobicContact CG-SD 4.11Å; F420-M497 HydrophobicContact CZ-CE 3.73Å; F420-M497 HydrophobicContact CZ-SD 3.88Å; F420-F500 HydrophobicContact CD1-CB 4.3Å; F420-F500 HydrophobicContact CD1-CD1 4.26Å; F420-F500 AromaticContact CD1-CD2 3.94Å; F420-F500 HydrophobicContact CD1-CD2 3.94Å; F420-F500 HydrophobicContact CD1-CE2 4.33Å; F420-F500 AromaticContact CD1-CG 3.91Å; F420-F500 HydrophobicContact CD1-CG 3.91Å |
| 421 | G | 80.6 | Confident | 84.6 | Confident | 38 Ų | 38 | 50.3 Ų | 50.3 | 39% | 0.392 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.2 | 49.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114 | Q417 | Q417-G421 VanDerWaalsContact O-CA 3.24Å; Q417-G421 WeakPolarHBondContact O-CA 3.47Å; Q417-G421 PolarHBondContact O-N 3.01Å |
| 422 | F | 82.9 | Confident | 85.2 | Confident | 10 Ų | 10 | 45.2 Ų | 45.2 | 4% | 0.044 | 24% | 0.235 | C | C | . | . | trans | -116.3 | 131 | 175.7 | 62.9 | -92.2 | 0 | 0 | 0 | 111.8 | L413 L416 Q417 F420 L425 I496 | L413-F422 HydrophobicContact CB-CZ 4.29Å; L416-F422 HydrophobicContact CB-CE1 4.26Å; L416-F422 HydrophobicContact CB-CZ 4.27Å; L416-F422 WeakPolarHBondContact O-CE1 3.42Å; Q417-F422 HydrophobicContact CB-CD2 4.27Å; Q417-F422 HydrophobicContact CB-CE1 4.27Å; Q417-F422 HydrophobicContact CB-CE2 3.9Å; Q417-F422 HydrophobicContact CB-CZ 3.89Å; Q417-F422 WeakPolarHBondContact CG-O 3.43Å; Q417-F422 PolarHBondContact NE2-O 3.46Å; F420-F422 HydrophobicContact CB-CD1 4Å; F420-F422 HydrophobicContact CB-CE1 4.22Å; F422-L425 HydrophobicContact CD2-CD1 4.26Å; F422-L425 HydrophobicContact CE2-CD1 4.25Å; F422-I496 HydrophobicContact CD1-CG1 4.41Å; F422-I496 HydrophobicContact CD1-CG2 3.95Å; F422-I496 HydrophobicContact CE1-CG1 4.27Å; F422-I496 HydrophobicContact CE1-CG2 3.82Å | ||
| 423 | S | 79.6 | Confident | 86 | Confident | 49 Ų | 49 | 42.5 Ų | 42.5 | 34% | 0.343 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -69.8 | -34.2 | -177.8 | 67 | 0 | 0 | 0 | 0 | 114.8 | E226 A227 Q417 | E226-S423 WeakPolarHBondContact OE2-CA 3.34Å; E226-S423 WeakPolarHBondContact OE2-CB 3.25Å; E226-S423 PolarHBondContact OE2-N 3.47Å; A227-S423 PolarHBondContact O-OG 3.49Å; Q417-S423 VanDerWaalsContact NE2-C 3.34Å; Q417-S423 PolarHBondContact NE2-O 2.66Å |
| 424 | T | 83.3 | Confident | 86.8 | Confident | 30 Ų | 30 | 42.8 Ų | 42.8 | 18% | 0.184 | 23% | 0.225 | C | C | . | . | trans | -162.1 | 158.4 | -175.6 | -174.9 | 0 | 0 | 0 | 0 | 112.8 | T426 | T424-T426 PolarHBondContact OG1-N 2.88Å; T424-T426 PolarHBondContact OG1-OG1 3.34Å | ||
| 425 | L | 86.5 | Confident | 87.4 | Confident | 9 Ų | 9 | 38.6 Ų | 38.6 | 5% | 0.047 | 21% | 0.208 | C | C | . | . | trans | -114.1 | 14.9 | 167.8 | -133 | 81.5 | 0 | 0 | 0 | 113.8 | L352 L409 L413 F422 A427 V428 T429 I496 | L352-L425 HydrophobicContact CD2-CD2 4.06Å; L409-L425 HydrophobicContact CD2-CD2 3.83Å; L413-L425 HydrophobicContact CD1-CD2 3.79Å; F422-L425 HydrophobicContact CD2-CD1 4.26Å; F422-L425 HydrophobicContact CE2-CD1 4.25Å; L425-A427 PolarHBondContact O-N 3.44Å; L425-A427 VanDerWaalsContact O-N 3.09Å; L425-V428 HydrophobicContact CD1-CG2 4.44Å; L425-V428 HydrophobicContact CD2-CB 3.81Å; L425-V428 HydrophobicContact CD2-CG1 3.97Å; L425-V428 HydrophobicContact CD2-CG2 4.01Å; L425-V428 HydrophobicContact CG-CB 3.85Å; L425-V428 HydrophobicContact CG-CG2 3.79Å; L425-V428 PolarHBondContact O-N 2.84Å; L425-T429 PolarHBondContact O-N 3.12Å; L425-T429 PolarHBondContact O-OG1 3.49Å; L425-I496 HydrophobicContact CD1-CD1 4.01Å; L425-I496 HydrophobicContact CD1-CG1 3.66Å; L425-I496 HydrophobicContact CD2-CD1 4.48Å | ||
| 426 | T | 88.9 | Confident | 88.1 | Confident | 41 Ų | 41 | 33.4 Ų | 33.4 | 25% | 0.252 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -50.1 | -37.3 | -177.3 | -59.3 | 0 | 0 | 0 | 0 | 113.7 | Q410 T424 T429 H430 | Q410-T426 PolarHBondContact NE2-OG1 2.89Å; T424-T426 PolarHBondContact OG1-N 2.88Å; T424-T426 PolarHBondContact OG1-OG1 3.34Å; T426-T429 PolarHBondContact O-N 2.96Å; T426-H430 WeakPolarHBondContact CG2-NE2 3.39Å; T426-H430 WeakPolarHBondContact O-CB 3.31Å; T426-H430 PolarHBondContact O-CD2 3.1Å; T426-H430 PolarHBondContact O-N 2.91Å |
| 427 | A | 89.1 | Confident | 88.8 | Confident | 44 Ų | 44 | 33.7 Ų | 33.7 | 36% | 0.364 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61.6 | -49.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | Q198 L425 T429 H430 G431 | Q198-A427 PolarHBondContact OE1-O 3.22Å; L425-A427 PolarHBondContact O-N 3.44Å; L425-A427 VanDerWaalsContact O-N 3.09Å; A427-T429 VanDerWaalsContact C-N 3.35Å; A427-T429 PolarHBondContact O-N 2.93Å; A427-H430 PolarHBondContact O-N 3.37Å; A427-G431 PolarHBondContact O-N 3.15Å |
| 428 | V | 91.1 | Very high | 89.1 | Confident | 19 Ų | 19 | 34.4 Ų | 34.4 | 12% | 0.115 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.4 | -43 | 175.1 | 178.9 | 0 | 0 | 0 | 0 | 111 | L425 G431 A432 I488 A492 | L425-V428 HydrophobicContact CD1-CG2 4.44Å; L425-V428 HydrophobicContact CD2-CB 3.81Å; L425-V428 HydrophobicContact CD2-CG1 3.97Å; L425-V428 HydrophobicContact CD2-CG2 4.01Å; L425-V428 HydrophobicContact CG-CB 3.85Å; L425-V428 HydrophobicContact CG-CG2 3.79Å; L425-V428 PolarHBondContact O-N 2.84Å; V428-G431 PolarHBondContact O-N 3.39Å; V428-A432 VanDerWaalsContact O-CB 3.26Å; V428-A432 WeakPolarHBondContact O-CB 3.5Å; V428-A432 PolarHBondContact O-N 3.09Å; V428-I488 HydrophobicContact CG1-CG2 4.28Å; V428-A492 HydrophobicContact CG1-CB 3.74Å; V428-A492 HydrophobicContact CG2-CB 4.28Å |
| 429 | T | 93.4 | Very high | 89.7 | Confident | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.012 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.8 | -49.5 | 177.3 | -56.3 | 0 | 0 | 0 | 0 | 111.8 | I406 L425 T426 A427 Q433 | I406-T429 HydrophobicContact CG2-CG2 4.29Å; L425-T429 PolarHBondContact O-N 3.12Å; L425-T429 PolarHBondContact O-OG1 3.49Å; T426-T429 PolarHBondContact O-N 2.96Å; A427-T429 VanDerWaalsContact C-N 3.35Å; A427-T429 PolarHBondContact O-N 2.93Å; T429-Q433 WeakPolarHBondContact O-CB 3.45Å; T429-Q433 WeakPolarHBondContact O-CG 3.4Å; T429-Q433 PolarHBondContact O-N 3.29Å; T429-Q433 VanDerWaalsContact O-N 3.1Å; T429-Q433 PolarHBondContact O-OE1 3.49Å |
| 430 | H | 93.4 | Very high | 90.1 | Very high | 27 Ų | 27 | 20.4 Ų | 20.4 | 13% | 0.125 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -69.5 | -40.5 | 179.8 | -72.6 | -159.5 | 0 | 0 | 0 | 111.5 | K194 N197 Q198 T426 A427 Q433 I434 | K194-H430 HydrophobicContact CB-CB 4.47Å; K194-H430 HydrophobicContact CG-CB 4.32Å; N197-H430 PolarHBondContact ND2-CE1 3.05Å; Q198-H430 HydrophobicContact CG-CB 3.64Å; T426-H430 WeakPolarHBondContact CG2-NE2 3.39Å; T426-H430 WeakPolarHBondContact O-CB 3.31Å; T426-H430 PolarHBondContact O-CD2 3.1Å; T426-H430 PolarHBondContact O-N 2.91Å; A427-H430 PolarHBondContact O-N 3.37Å; H430-Q433 PolarHBondContact O-N 3.04Å; H430-I434 VanDerWaalsContact O-CG1 3.3Å; H430-I434 WeakPolarHBondContact O-CG1 3.35Å; H430-I434 PolarHBondContact O-N 3.3Å |
| 431 | G | 93.6 | Very high | 90.4 | Very high | 8 Ų | 8 | 21.8 Ų | 21.8 | 8% | 0.082 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -56.5 | -53.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | A427 V428 Q433 I434 D435 | A427-G431 PolarHBondContact O-N 3.15Å; V428-G431 PolarHBondContact O-N 3.39Å; G431-Q433 VanDerWaalsContact C-N 3.27Å; G431-Q433 PolarHBondContact O-N 3.01Å; G431-I434 PolarHBondContact O-N 3.27Å; G431-I434 VanDerWaalsContact O-N 3.15Å; G431-D435 WeakPolarHBondContact O-CB 3.25Å; G431-D435 PolarHBondContact O-N 3.17Å |
| 432 | A | 94.9 | Very high | 91 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.008 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.2 | -33.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | I406 V428 L436 I488 | I406-A432 HydrophobicContact CD1-CB 4.45Å; I406-A432 HydrophobicContact CG2-CB 4.07Å; V428-A432 VanDerWaalsContact O-CB 3.26Å; V428-A432 WeakPolarHBondContact O-CB 3.5Å; V428-A432 PolarHBondContact O-N 3.09Å; A432-L436 VanDerWaalsContact O-CB 3.25Å; A432-L436 WeakPolarHBondContact O-CB 3.44Å; A432-L436 PolarHBondContact O-N 3.42Å; A432-I488 HydrophobicContact CB-CD1 3.85Å; A432-I488 HydrophobicContact CB-CG1 4.45Å; A432-I488 HydrophobicContact CB-CG2 4Å |
| 433 | Q | 95.1 | Very high | 91.5 | Very high | 4 Ų | 4 | 19.9 Ų | 19.9 | 2% | 0.019 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -73 | -38.5 | 175.2 | -73.7 | 165.9 | -11.9 | 0 | 0 | 112.9 | K194 C403 I406 S407 T429 H430 G431 Q437 | K194-Q433 HydrophobicContact CD-CB 3.68Å; C403-Q433 HydrophobicContact CB-CG 4.08Å; C403-Q433 PolarHBondContact O-NE2 2.92Å; I406-Q433 HydrophobicContact CB-CG 4.16Å; I406-Q433 HydrophobicContact CD1-CG 4.04Å; I406-Q433 HydrophobicContact CG2-CG 4.2Å; S407-Q433 PolarHBondContact OG-NE2 3.14Å; T429-Q433 WeakPolarHBondContact O-CB 3.45Å; T429-Q433 WeakPolarHBondContact O-CG 3.4Å; T429-Q433 PolarHBondContact O-N 3.29Å; T429-Q433 VanDerWaalsContact O-N 3.1Å; T429-Q433 PolarHBondContact O-OE1 3.49Å; H430-Q433 PolarHBondContact O-N 3.04Å; G431-Q433 VanDerWaalsContact C-N 3.27Å; G431-Q433 PolarHBondContact O-N 3.01Å; Q433-Q437 PolarHBondContact O-N 2.93Å |
| 434 | I | 94.4 | Very high | 92.1 | Very high | 11 Ų | 11 | 17.7 Ų | 17.7 | 6% | 0.056 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -67.2 | -43.1 | 173.1 | -68.7 | 164.8 | 0 | 0 | 0 | 110.1 | K194 Q198 H430 G431 L436 Q437 Q438 | K194-I434 HydrophobicContact CB-CD1 4.12Å; K194-I434 HydrophobicContact CB-CG1 4.07Å; Q198-I434 HydrophobicContact CB-CD1 3.68Å; Q198-I434 HydrophobicContact CG-CD1 4.05Å; H430-I434 VanDerWaalsContact O-CG1 3.3Å; H430-I434 WeakPolarHBondContact O-CG1 3.35Å; H430-I434 PolarHBondContact O-N 3.3Å; G431-I434 PolarHBondContact O-N 3.27Å; G431-I434 VanDerWaalsContact O-N 3.15Å; I434-L436 VanDerWaalsContact C-N 3.32Å; I434-L436 PolarHBondContact O-N 2.9Å; I434-Q437 WeakPolarHBondContact O-CB 3.48Å; I434-Q437 PolarHBondContact O-N 3.39Å; I434-Q437 VanDerWaalsContact O-N 3.11Å; I434-Q438 PolarHBondContact O-N 2.87Å |
| 435 | D | 93.6 | Very high | 92.5 | Very high | 19 Ų | 19 | 19.7 Ų | 19.7 | 10% | 0.102 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -68.5 | -33.7 | -178.7 | -60 | -12.6 | 0 | 0 | 0 | 111.4 | K202 G431 L439 V484 R487 I488 | K202-D435 IonicContact NZ-OD1 2.7Å; K202-D435 PolarHBondContact NZ-OD1 2.98Å; G431-D435 WeakPolarHBondContact O-CB 3.25Å; G431-D435 PolarHBondContact O-N 3.17Å; D435-L439 WeakPolarHBondContact O-CB 3.35Å; D435-L439 PolarHBondContact O-N 3.01Å; D435-L439 VanDerWaalsContact O-N 3.1Å; D435-V484 HydrophobicContact CB-CG1 3.86Å; D435-R487 IonicContact OD2-CZ 3.5Å; D435-R487 IonicContact OD2-NH1 2.76Å; D435-R487 PolarHBondContact OD2-NH1 3.26Å; D435-R487 IonicContact OD2-NH2 3.72Å; D435-R487 PolarHBondContact OD2-NH2 3.31Å; D435-I488 HydrophobicContact CB-CD1 4.37Å |
| 436 | L | 94.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.5 | -42.6 | 168.4 | 179.5 | 155.1 | 0 | 0 | 0 | 111.8 | F360 L399 C402 I406 A432 I434 L439 M440 | F360-L436 HydrophobicContact CD2-CB 4.46Å; F360-L436 HydrophobicContact CD2-CD1 3.93Å; F360-L436 HydrophobicContact CE1-CB 4.11Å; F360-L436 HydrophobicContact CE2-CB 3.96Å; F360-L436 HydrophobicContact CE2-CD1 4.22Å; F360-L436 HydrophobicContact CG-CD1 4.14Å; F360-L436 HydrophobicContact CZ-CB 3.76Å; L399-L436 HydrophobicContact CD1-CD2 3.95Å; L399-L436 HydrophobicContact CD2-CD2 4.11Å; C402-L436 HydrophobicContact CB-CD1 4.32Å; C402-L436 HydrophobicContact CB-CD2 4.39Å; I406-L436 HydrophobicContact CD1-CD1 3.78Å; A432-L436 VanDerWaalsContact O-CB 3.25Å; A432-L436 WeakPolarHBondContact O-CB 3.44Å; A432-L436 PolarHBondContact O-N 3.42Å; I434-L436 VanDerWaalsContact C-N 3.32Å; I434-L436 PolarHBondContact O-N 2.9Å; L436-L439 PolarHBondContact O-N 2.93Å; L436-M440 HydrophobicContact CD2-CG 4.35Å; L436-M440 VanDerWaalsContact O-CG 3.31Å; L436-M440 WeakPolarHBondContact O-CG 3.13Å; L436-M440 PolarHBondContact O-N 3.11Å; L436-M440 VanDerWaalsContact O-N 3.15Å |
| 437 | Q | 92.9 | Very high | 93 | Very high | 14 Ų | 14 | 17.6 Ų | 17.6 | 7% | 0.065 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.8 | -46.7 | 176.7 | -178.9 | -177.5 | -27.7 | 0 | 0 | 111.3 | Y96 L399 Q433 I434 L439 M440 E441 | Y96-Q437 PolarHBondContact OH-NE2 3.42Å; L399-Q437 HydrophobicContact CD1-CB 3.8Å; L399-Q437 HydrophobicContact CD1-CG 3.91Å; Q433-Q437 PolarHBondContact O-N 2.93Å; I434-Q437 WeakPolarHBondContact O-CB 3.48Å; I434-Q437 PolarHBondContact O-N 3.39Å; I434-Q437 VanDerWaalsContact O-N 3.11Å; Q437-L439 VanDerWaalsContact C-N 3.26Å; Q437-L439 PolarHBondContact O-N 3.38Å; Q437-M440 WeakPolarHBondContact O-CA 3.32Å; Q437-M440 WeakPolarHBondContact O-CB 3.41Å; Q437-M440 PolarHBondContact O-N 2.83Å; Q437-E441 HydrophobicContact CG-CG 4.48Å; Q437-E441 PolarHBondContact NE2-OE1 3.15Å; Q437-E441 PolarHBondContact O-N 2.94Å |
| 438 | Q | 92.1 | Very high | 93.1 | Very high | 88 Ų | 88 | 18.6 Ų | 18.6 | 41% | 0.411 | 9% | 0.09 | S | C | . | . | H | α-helix | trans | -58.4 | -38.7 | 176.5 | -170.6 | 64.9 | 70.4 | 0 | 0 | 111.9 | I434 M440 E441 N442 | I434-Q438 PolarHBondContact O-N 2.87Å; Q438-M440 VanDerWaalsContact C-N 3.33Å; Q438-M440 PolarHBondContact O-N 3.25Å; Q438-E441 PolarHBondContact O-N 3.15Å; Q438-N442 PolarHBondContact NE2-OD1 3.2Å; Q438-N442 WeakPolarHBondContact O-CB 3.48Å; Q438-N442 PolarHBondContact O-N 2.8Å; Q438-N442 PolarHBondContact O-OD1 2.95Å |
| 439 | L | 93 | Very high | 93 | Very high | 7 Ų | 7 | 21.4 Ų | 21.4 | 4% | 0.037 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65 | -36.2 | 176.1 | -169.7 | 72 | 0 | 0 | 0 | 112.4 | L58 F360 D435 L436 Q437 A443 F477 D480 | L58-L439 HydrophobicContact CD1-CD1 3.77Å; L58-L439 HydrophobicContact CD1-CG 4.45Å; F360-L439 HydrophobicContact CD1-CD2 4.05Å; F360-L439 HydrophobicContact CE1-CD2 4.04Å; D435-L439 WeakPolarHBondContact O-CB 3.35Å; D435-L439 PolarHBondContact O-N 3.01Å; D435-L439 VanDerWaalsContact O-N 3.1Å; L436-L439 PolarHBondContact O-N 2.93Å; Q437-L439 VanDerWaalsContact C-N 3.26Å; Q437-L439 PolarHBondContact O-N 3.38Å; L439-A443 WeakPolarHBondContact O-CB 3.48Å; L439-A443 PolarHBondContact O-N 3.12Å; L439-A443 VanDerWaalsContact O-N 3.15Å; L439-F477 HydrophobicContact CB-CE2 4.41Å; L439-F477 HydrophobicContact CD2-CD1 4.13Å; L439-F477 HydrophobicContact CD2-CD2 4.03Å; L439-F477 HydrophobicContact CD2-CE1 3.76Å; L439-F477 HydrophobicContact CD2-CE2 3.69Å; L439-F477 HydrophobicContact CD2-CG 4.24Å; L439-F477 HydrophobicContact CD2-CZ 3.54Å; L439-F477 HydrophobicContact CG-CD2 3.82Å; L439-F477 HydrophobicContact CG-CE2 3.64Å; L439-F477 HydrophobicContact CG-CG 4.38Å; L439-F477 HydrophobicContact CG-CZ 4.05Å; L439-D480 HydrophobicContact CD1-CB 3.59Å |
| 440 | M | 93.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -68.6 | -45.7 | 173.7 | -64.1 | -72.8 | -79.8 | 0 | 0 | 111.3 | S363 L366 M367 P397 L399 L436 Q437 Q438 A443 A444 F477 | S363-M440 WeakPolarHBondContact O-CE 3.44Å; S363-M440 VanDerWaalsContact O-SD 3.36Å; L366-M440 HydrophobicContact CB-CE 4.37Å; L366-M440 HydrophobicContact CD2-CE 4.34Å; L366-M440 HydrophobicContact CG-CE 4.28Å; M367-M440 HydrophobicContact CB-CE 3.92Å; M367-M440 HydrophobicContact CB-SD 3.85Å; M367-M440 HydrophobicContact CE-CB 4.04Å; M367-M440 HydrophobicContact CE-CE 3.8Å; M367-M440 VanDerWaalsContact CE-O 3.25Å; M367-M440 WeakPolarHBondContact CE-O 3.32Å; M367-M440 HydrophobicContact CE-SD 3.86Å; P397-M440 HydrophobicContact CG-CE 3.7Å; L399-M440 HydrophobicContact CD2-CE 3.86Å; L399-M440 HydrophobicContact CD2-CG 4.12Å; L436-M440 HydrophobicContact CD2-CG 4.35Å; L436-M440 VanDerWaalsContact O-CG 3.31Å; L436-M440 WeakPolarHBondContact O-CG 3.13Å; L436-M440 PolarHBondContact O-N 3.11Å; L436-M440 VanDerWaalsContact O-N 3.15Å; Q437-M440 WeakPolarHBondContact O-CA 3.32Å; Q437-M440 WeakPolarHBondContact O-CB 3.41Å; Q437-M440 PolarHBondContact O-N 2.83Å; Q438-M440 VanDerWaalsContact C-N 3.33Å; Q438-M440 PolarHBondContact O-N 3.25Å; M440-A443 PolarHBondContact O-N 3.48Å; M440-A444 WeakPolarHBondContact O-CB 3.34Å; M440-A444 PolarHBondContact O-N 3.46Å; M440-F477 HydrophobicContact SD-CE2 3.77Å; M440-F477 HydrophobicContact SD-CZ 4.03Å |
| 441 | E | 91.7 | Very high | 92.7 | Very high | 35 Ų | 35 | 22.5 Ų | 22.5 | 16% | 0.164 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.5 | -43.6 | 178 | -69 | -177.7 | -170.2 | 0 | 0 | 111.5 | Q437 Q438 A443 A444 Y445 | Q437-E441 HydrophobicContact CG-CG 4.48Å; Q437-E441 PolarHBondContact NE2-OE1 3.15Å; Q437-E441 PolarHBondContact O-N 2.94Å; Q438-E441 PolarHBondContact O-N 3.15Å; E441-A443 PolarHBondContact O-N 2.7Å; E441-A444 PolarHBondContact O-N 3.1Å; E441-Y445 WeakPolarHBondContact O-CB 3.42Å; E441-Y445 PolarHBondContact O-N 3.03Å |
| 442 | N | 92.6 | Very high | 92.4 | Very high | 9 Ų | 9 | 26.7 Ų | 26.7 | 5% | 0.048 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.8 | -40.6 | 175.2 | -70.1 | 0.4 | 0 | 0 | 0 | 112.4 | L58 Q438 T446 | L58-N442 HydrophobicContact CB-CB 4.01Å; L58-N442 HydrophobicContact CD1-CB 4.28Å; Q438-N442 PolarHBondContact NE2-OD1 3.2Å; Q438-N442 WeakPolarHBondContact O-CB 3.48Å; Q438-N442 PolarHBondContact O-N 2.8Å; Q438-N442 PolarHBondContact O-OD1 2.95Å; N442-T446 WeakPolarHBondContact O-CB 3.29Å; N442-T446 PolarHBondContact O-N 3.39Å; N442-T446 PolarHBondContact O-OG1 3.35Å |
| 443 | A | 93.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -69.9 | -39.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L58 M367 M371 L439 M440 E441 T446 L447 I473 F477 | L58-A443 HydrophobicContact CD1-CB 3.99Å; L58-A443 HydrophobicContact CD2-CB 4.35Å; M367-A443 HydrophobicContact CE-CB 4.25Å; M367-A443 HydrophobicContact CG-CB 4.33Å; M367-A443 HydrophobicContact SD-CB 4.44Å; M371-A443 HydrophobicContact CE-CB 4.34Å; L439-A443 WeakPolarHBondContact O-CB 3.48Å; L439-A443 PolarHBondContact O-N 3.12Å; L439-A443 VanDerWaalsContact O-N 3.15Å; M440-A443 PolarHBondContact O-N 3.48Å; E441-A443 PolarHBondContact O-N 2.7Å; A443-T446 PolarHBondContact O-N 3.38Å; A443-L447 PolarHBondContact O-N 3.35Å; A443-I473 HydrophobicContact CB-CG2 4.07Å; A443-F477 HydrophobicContact CB-CD2 3.94Å |
| 444 | A | 92.5 | Very high | 91.9 | Very high | 2 Ų | 2 | 32.4 Ų | 32.4 | 2% | 0.017 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.1 | -47.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | M367 M394 A395 M440 E441 T446 L447 E448 | M367-A444 HydrophobicContact CE-CB 4.29Å; M394-A444 HydrophobicContact CE-CB 3.89Å; M394-A444 HydrophobicContact CG-CB 4.31Å; A395-A444 HydrophobicContact CB-CB 4.16Å; M440-A444 WeakPolarHBondContact O-CB 3.34Å; M440-A444 PolarHBondContact O-N 3.46Å; E441-A444 PolarHBondContact O-N 3.1Å; A444-T446 VanDerWaalsContact C-N 3.35Å; A444-T446 PolarHBondContact O-N 2.93Å; A444-L447 PolarHBondContact O-N 3.13Å; A444-E448 PolarHBondContact O-N 3.36Å |
| 445 | Y | 91.9 | Very high | 91.5 | Very high | 73 Ų | 73 | 35 Ų | 35 | 29% | 0.286 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -61.4 | -41 | 175.4 | 176.9 | -112 | 0 | 0 | 0 | 112.1 | L59 E441 L447 E448 L449 | L59-Y445 HydrophobicContact CB-CD1 4.16Å; L59-Y445 HydrophobicContact CB-CE1 4.19Å; E441-Y445 WeakPolarHBondContact O-CB 3.42Å; E441-Y445 PolarHBondContact O-N 3.03Å; Y445-L447 PolarHBondContact O-N 2.81Å; Y445-E448 PolarHBondContact O-N 3.31Å; Y445-L449 PolarHBondContact O-N 2.88Å |
| 446 | T | 92.8 | Very high | 91.2 | Very high | 3 Ų | 3 | 41.5 Ų | 41.5 | 2% | 0.018 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.4 | -42.2 | 174.4 | -57 | 0 | 0 | 0 | 0 | 111.4 | L59 N442 A443 A444 M450 I473 | L59-T446 HydrophobicContact CD1-CG2 4.43Å; L59-T446 HydrophobicContact CG-CG2 4.38Å; L59-T446 PolarHBondContact N-OG1 2.79Å; N442-T446 WeakPolarHBondContact O-CB 3.29Å; N442-T446 PolarHBondContact O-N 3.39Å; N442-T446 PolarHBondContact O-OG1 3.35Å; A443-T446 PolarHBondContact O-N 3.38Å; A444-T446 VanDerWaalsContact C-N 3.35Å; A444-T446 PolarHBondContact O-N 2.93Å; T446-M450 WeakPolarHBondContact O-CB 3.3Å; T446-M450 WeakPolarHBondContact O-CG 3.48Å; T446-M450 PolarHBondContact O-N 2.93Å; T446-M450 VanDerWaalsContact O-N 3.12Å; T446-I473 HydrophobicContact CG2-CD1 4.08Å; T446-I473 HydrophobicContact CG2-CG1 3.86Å |
| 447 | L | 92.2 | Very high | 90.9 | Very high | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.016 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.5 | -44.5 | 175.3 | -166.4 | 84 | 0 | 0 | 0 | 111.7 | M371 V374 M394 A443 A444 Y445 L449 M450 L451 M466 A469 I473 | M371-L447 HydrophobicContact CE-CB 4.46Å; M371-L447 HydrophobicContact CE-CD1 4.49Å; M371-L447 HydrophobicContact CG-CD1 4.49Å; M371-L447 HydrophobicContact CG-CD2 4.13Å; V374-L447 HydrophobicContact CB-CD2 4.29Å; V374-L447 HydrophobicContact CG1-CD2 3.97Å; M394-L447 HydrophobicContact CE-CB 4.08Å; M394-L447 HydrophobicContact CE-CD2 3.71Å; M394-L447 HydrophobicContact CE-CG 4.47Å; M394-L447 HydrophobicContact SD-CB 4.38Å; M394-L447 HydrophobicContact SD-CD2 3.35Å; M394-L447 WeakPolarHBondContact SD-CD2 3.16Å; M394-L447 HydrophobicContact SD-CG 4.45Å; A443-L447 PolarHBondContact O-N 3.35Å; A444-L447 PolarHBondContact O-N 3.13Å; Y445-L447 PolarHBondContact O-N 2.81Å; L447-L449 VanDerWaalsContact C-N 3.34Å; L447-L449 PolarHBondContact O-N 2.97Å; L447-M450 PolarHBondContact O-N 3.44Å; L447-L451 VanDerWaalsContact O-CB 3.32Å; L447-L451 WeakPolarHBondContact O-CB 3.34Å; L447-L451 PolarHBondContact O-N 3.31Å; L447-M466 HydrophobicContact CD1-CE 3.4Å; L447-M466 VanDerWaalsContact CD1-CE 3.4Å; L447-M466 HydrophobicContact CD2-CE 4.16Å; L447-M466 HydrophobicContact CG-CE 3.59Å; L447-A469 HydrophobicContact CD1-CB 4.37Å; L447-I473 HydrophobicContact CB-CD1 3.9Å; L447-I473 HydrophobicContact CD1-CD1 3.5Å; L447-I473 VanDerWaalsContact CD1-CD1 3.5Å; L447-I473 HydrophobicContact CG-CD1 4.31Å |
| 448 | E | 91.3 | Very high | 90.5 | Very high | 64 Ų | 64 | 50.1 Ų | 50.1 | 30% | 0.299 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -58.9 | -44.5 | -179.7 | -166.6 | -165.1 | 176.8 | 0 | 0 | 111.4 | L391 A444 Y445 L451 K452 | L391-E448 HydrophobicContact CD1-CG 4.34Å; L391-E448 HydrophobicContact CD2-CB 4.4Å; L391-E448 HydrophobicContact CD2-CG 4.38Å; A444-E448 PolarHBondContact O-N 3.36Å; Y445-E448 PolarHBondContact O-N 3.31Å; E448-L451 PolarHBondContact O-N 2.97Å; E448-K452 HydrophobicContact CG-CD 4.43Å; E448-K452 WeakPolarHBondContact O-CG 3.47Å; E448-K452 PolarHBondContact O-N 2.85Å; E448-K452 WeakPolarHBondContact OE1-CE 3.46Å; E448-K452 IonicContact OE1-NZ 3.17Å; E448-K452 PolarHBondContact OE1-NZ 3.39Å; E448-K452 IonicContact OE2-NZ 2.64Å |
| 449 | L | 90.3 | Very high | 90.1 | Very high | 78 Ų | 78 | 50 Ų | 50 | 41% | 0.408 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -67.5 | -41.1 | 177.3 | -173.2 | 65.7 | 0 | 0 | 0 | 112.2 | L59 Y445 L447 L451 K453 | L59-L449 HydrophobicContact CD1-CD2 3.68Å; Y445-L449 PolarHBondContact O-N 2.88Å; L447-L449 VanDerWaalsContact C-N 3.34Å; L447-L449 PolarHBondContact O-N 2.97Å; L449-L451 VanDerWaalsContact C-N 3.31Å; L449-L451 PolarHBondContact O-N 3.03Å; L449-K453 PolarHBondContact O-N 3.23Å; L449-K453 VanDerWaalsContact O-N 3.13Å |
| 450 | M | 90.3 | Very high | 89.5 | Confident | 48 Ų | 48 | 59.1 Ų | 59.1 | 24% | 0.236 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.7 | -35.5 | 174.9 | -74.2 | -169.3 | 70.6 | 0 | 0 | 112.3 | T446 L447 A454 A469 I473 | T446-M450 WeakPolarHBondContact O-CB 3.3Å; T446-M450 WeakPolarHBondContact O-CG 3.48Å; T446-M450 PolarHBondContact O-N 2.93Å; T446-M450 VanDerWaalsContact O-N 3.12Å; L447-M450 PolarHBondContact O-N 3.44Å; M450-A454 WeakPolarHBondContact O-CB 3.34Å; M450-A454 PolarHBondContact O-N 3.07Å; M450-A469 HydrophobicContact CB-CB 4.44Å; M450-A469 HydrophobicContact CE-CB 3.54Å; M450-A469 HydrophobicContact SD-CB 3.98Å; M450-I473 HydrophobicContact SD-CD1 3.97Å; M450-I473 HydrophobicContact SD-CG1 4.18Å |
| 451 | L | 89.3 | Confident | 89.1 | Confident | 5 Ų | 5 | 62.3 Ų | 62.3 | 3% | 0.026 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -70.8 | -47.5 | 177.1 | 176.8 | 59.1 | 0 | 0 | 0 | 112.3 | V374 V378 L387 L391 L447 E448 L449 K453 A454 M455 M466 | V374-L451 HydrophobicContact CG1-CD2 4.14Å; V378-L451 HydrophobicContact CG2-CD1 3.75Å; V378-L451 HydrophobicContact CG2-CD2 4.45Å; L387-L451 HydrophobicContact CD1-CD2 4.06Å; L387-L451 HydrophobicContact CD2-CD2 4.24Å; L387-L451 HydrophobicContact CG-CD2 4.29Å; L391-L451 HydrophobicContact CD1-CD2 3.94Å; L391-L451 HydrophobicContact CD2-CD2 3.94Å; L391-L451 HydrophobicContact CG-CD2 4.3Å; L447-L451 VanDerWaalsContact O-CB 3.32Å; L447-L451 WeakPolarHBondContact O-CB 3.34Å; L447-L451 PolarHBondContact O-N 3.31Å; E448-L451 PolarHBondContact O-N 2.97Å; L449-L451 VanDerWaalsContact C-N 3.31Å; L449-L451 PolarHBondContact O-N 3.03Å; L451-K453 VanDerWaalsContact C-N 3.3Å; L451-K453 PolarHBondContact O-N 3.09Å; L451-A454 PolarHBondContact O-N 3.12Å; L451-A454 VanDerWaalsContact O-N 3.11Å; L451-M455 HydrophobicContact CD1-CG 3.87Å; L451-M455 HydrophobicContact CD1-SD 4.34Å; L451-M455 HydrophobicContact CG-CG 4.32Å; L451-M455 WeakPolarHBondContact O-CG 3.27Å; L451-M455 PolarHBondContact O-N 3.3Å; L451-M466 VanDerWaalsContact CA-SD 3.59Å; L451-M466 HydrophobicContact CB-CE 3.75Å; L451-M466 HydrophobicContact CB-SD 3.78Å; L451-M466 HydrophobicContact CD1-CE 4.22Å; L451-M466 HydrophobicContact CD1-CG 3.87Å; L451-M466 HydrophobicContact CD1-SD 3.71Å; L451-M466 HydrophobicContact CG-CE 4.44Å; L451-M466 HydrophobicContact CG-SD 4.33Å |
| 452 | K | 88.8 | Confident | 88.8 | Confident | 95 Ų | 95 | 60.7 Ų | 60.7 | 41% | 0.413 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -52.5 | -51.7 | 174.5 | -76.3 | 169 | -177.7 | 165.7 | 0 | 110.2 | E448 A454 M455 E456 | E448-K452 HydrophobicContact CG-CD 4.43Å; E448-K452 WeakPolarHBondContact O-CG 3.47Å; E448-K452 PolarHBondContact O-N 2.85Å; E448-K452 WeakPolarHBondContact OE1-CE 3.46Å; E448-K452 IonicContact OE1-NZ 3.17Å; E448-K452 PolarHBondContact OE1-NZ 3.39Å; E448-K452 IonicContact OE2-NZ 2.64Å; K452-A454 PolarHBondContact O-N 2.93Å; K452-M455 PolarHBondContact O-N 3.18Å; K452-M455 VanDerWaalsContact O-N 3.17Å; K452-E456 VanDerWaalsContact O-CG 3.31Å; K452-E456 WeakPolarHBondContact O-CG 3.49Å; K452-E456 PolarHBondContact O-N 3.1Å |
| 453 | K | 89.3 | Confident | 88.4 | Confident | 122 Ų | 122 | 60.7 Ų | 60.7 | 53% | 0.53 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.3 | -42.6 | 176 | 178.5 | 160.9 | -176.9 | 161.7 | 0 | 113.2 | L449 L451 M455 E456 D457 | L449-K453 PolarHBondContact O-N 3.23Å; L449-K453 VanDerWaalsContact O-N 3.13Å; L451-K453 VanDerWaalsContact C-N 3.3Å; L451-K453 PolarHBondContact O-N 3.09Å; K453-M455 VanDerWaalsContact C-N 3.26Å; K453-M455 PolarHBondContact O-N 3.5Å; K453-E456 PolarHBondContact O-N 3.09Å; K453-D457 WeakPolarHBondContact CE-OD2 3.25Å; K453-D457 WeakPolarHBondContact CG-OD2 2.96Å; K453-D457 VanDerWaalsContact O-CB 3.3Å; K453-D457 WeakPolarHBondContact O-CB 3.03Å; K453-D457 PolarHBondContact O-N 2.78Å |
| 454 | A | 88.6 | Confident | 88 | Confident | 3 Ų | 3 | 63.3 Ų | 63.3 | 3% | 0.025 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.3 | -32.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | M450 L451 K452 N458 A462 V465 M466 | M450-A454 WeakPolarHBondContact O-CB 3.34Å; M450-A454 PolarHBondContact O-N 3.07Å; L451-A454 PolarHBondContact O-N 3.12Å; L451-A454 VanDerWaalsContact O-N 3.11Å; K452-A454 PolarHBondContact O-N 2.93Å; A454-N458 CarbonylContact O-C 3.57Å; A454-N458 PolarHBondContact O-N 2.97Å; A454-N458 VanDerWaalsContact O-N 3.15Å; A454-A462 HydrophobicContact CB-CB 4.08Å; A454-V465 HydrophobicContact CB-CB 4.08Å; A454-V465 HydrophobicContact CB-CG1 3.87Å; A454-M466 HydrophobicContact CB-SD 4.38Å |
| 455 | M | 85.6 | Confident | 87.7 | Confident | 66 Ų | 66 | 66 Ų | 66 | 33% | 0.325 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -77.1 | -34.2 | 176.2 | -60 | -99.6 | 59.1 | 0 | 0 | 112.2 | L387 L451 K452 K453 P459 A462 | L387-M455 HydrophobicContact CD2-SD 4.41Å; L451-M455 HydrophobicContact CD1-CG 3.87Å; L451-M455 HydrophobicContact CD1-SD 4.34Å; L451-M455 HydrophobicContact CG-CG 4.32Å; L451-M455 WeakPolarHBondContact O-CG 3.27Å; L451-M455 PolarHBondContact O-N 3.3Å; K452-M455 PolarHBondContact O-N 3.18Å; K452-M455 VanDerWaalsContact O-N 3.17Å; K453-M455 VanDerWaalsContact C-N 3.26Å; K453-M455 PolarHBondContact O-N 3.5Å; M455-P459 HydrophobicContact CE-CB 3.77Å; M455-P459 HydrophobicContact CE-CG 4.39Å; M455-P459 WeakPolarHBondContact O-CD 3.45Å; M455-P459 WeakPolarHBondContact O-CG 3.27Å; M455-A462 HydrophobicContact CE-CB 3.76Å |
| 456 | E | 87.9 | Confident | 87.5 | Confident | 155 Ų | 155 | 62.8 Ų | 62.8 | 72% | 0.724 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -69.7 | -43.4 | 171.9 | -71 | 161 | -170 | 0 | 0 | 112.1 | K452 K453 | K452-E456 VanDerWaalsContact O-CG 3.31Å; K452-E456 WeakPolarHBondContact O-CG 3.49Å; K452-E456 PolarHBondContact O-N 3.1Å; K453-E456 PolarHBondContact O-N 3.09Å |
| 457 | D | 88.8 | Confident | 87.1 | Confident | 98 Ų | 98 | 65.4 Ų | 65.4 | 52% | 0.524 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -69.5 | -58.6 | -177.7 | -79 | -26.4 | 0 | 0 | 0 | 111.4 | K453 | K453-D457 WeakPolarHBondContact CE-OD2 3.25Å; K453-D457 WeakPolarHBondContact CG-OD2 2.96Å; K453-D457 VanDerWaalsContact O-CB 3.3Å; K453-D457 WeakPolarHBondContact O-CB 3.03Å; K453-D457 PolarHBondContact O-N 2.78Å |
| 458 | N | 85.3 | Confident | 86.9 | Confident | 98 Ų | 98 | 72.1 Ų | 72.1 | 52% | 0.524 | 37% | 0.372 | S | S | . | . | trans | -162 | 94.3 | -176.7 | -86.8 | -84.7 | 0 | 0 | 0 | 112.5 | A454 E460 T461 A462 | A454-N458 CarbonylContact O-C 3.57Å; A454-N458 PolarHBondContact O-N 2.97Å; A454-N458 VanDerWaalsContact O-N 3.15Å; N458-E460 PolarHBondContact O-N 2.9Å; N458-T461 HydrophobicContact CB-CG2 4.37Å; N458-T461 VanDerWaalsContact CB-OG1 3.29Å; N458-T461 WeakPolarHBondContact CB-OG1 3.35Å; N458-T461 PolarHBondContact O-N 3.07Å; N458-T461 PolarHBondContact O-OG1 2.89Å; N458-T461 VanDerWaalsContact O-OG1 3.11Å; N458-A462 PolarHBondContact O-N 3.13Å | ||
| 459 | P | 82.5 | Confident | 86.8 | Confident | 84 Ų | 84 | 69.1 Ų | 69.1 | 55% | 0.545 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -50.3 | -44.6 | -176.8 | -30.5 | 34.5 | 0 | 0 | 0 | 115.9 | M455 T461 A462 | M455-P459 HydrophobicContact CE-CB 3.77Å; M455-P459 HydrophobicContact CE-CG 4.39Å; M455-P459 WeakPolarHBondContact O-CD 3.45Å; M455-P459 WeakPolarHBondContact O-CG 3.27Å; P459-T461 PolarHBondContact O-N 3.35Å; P459-A462 VanDerWaalsContact O-CB 3.29Å; P459-A462 WeakPolarHBondContact O-CB 3.15Å; P459-A462 PolarHBondContact O-N 2.99Å; P459-A462 VanDerWaalsContact O-N 3.15Å |
| 460 | E | 81.7 | Confident | 86.9 | Confident | 199 Ų | 199 | 66.3 Ų | 66.3 | 93% | 0.93 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -64.1 | -25.1 | -178.7 | -62.4 | -173.9 | 174.8 | 0 | 0 | 113.4 | N458 | N458-E460 PolarHBondContact O-N 2.9Š|
| 461 | T | 85.4 | Confident | 86.8 | Confident | 69 Ų | 69 | 68.8 Ų | 68.8 | 42% | 0.423 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -97.8 | -7.4 | 178.8 | 71.6 | 0 | 0 | 0 | 0 | 113 | N458 P459 G463 A464 V465 | N458-T461 HydrophobicContact CB-CG2 4.37Å; N458-T461 VanDerWaalsContact CB-OG1 3.29Å; N458-T461 WeakPolarHBondContact CB-OG1 3.35Å; N458-T461 PolarHBondContact O-N 3.07Å; N458-T461 PolarHBondContact O-OG1 2.89Å; N458-T461 VanDerWaalsContact O-OG1 3.11Å; P459-T461 PolarHBondContact O-N 3.35Å; T461-G463 VanDerWaalsContact C-N 3.3Å; T461-G463 PolarHBondContact O-N 3.05Å; T461-A464 PolarHBondContact O-N 2.74Å; T461-V465 PolarHBondContact O-N 2.91Å; T461-V465 VanDerWaalsContact O-N 3.14Å |
| 462 | A | 84.1 | Confident | 87 | Confident | 0 Ų | 0 | 75.3 Ų | 75.3 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -54.7 | -42.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | V378 A454 M455 N458 P459 A464 V465 M466 | V378-A462 HydrophobicContact CG1-CB 4.37Å; A454-A462 HydrophobicContact CB-CB 4.08Å; M455-A462 HydrophobicContact CE-CB 3.76Å; N458-A462 PolarHBondContact O-N 3.13Å; P459-A462 VanDerWaalsContact O-CB 3.29Å; P459-A462 WeakPolarHBondContact O-CB 3.15Å; P459-A462 PolarHBondContact O-N 2.99Å; P459-A462 VanDerWaalsContact O-N 3.15Å; A462-A464 VanDerWaalsContact C-N 3.34Å; A462-A464 PolarHBondContact O-N 3.23Å; A462-V465 CarbonylContact O-C 3.57Å; A462-V465 WeakPolarHBondContact O-CA 3.47Å; A462-V465 WeakPolarHBondContact O-CB 3.47Å; A462-V465 PolarHBondContact O-N 2.8Å; A462-M466 VanDerWaalsContact O-CG 3.29Å; A462-M466 WeakPolarHBondContact O-CG 3.44Å; A462-M466 PolarHBondContact O-N 2.88Å |
| 463 | G | 84.4 | Confident | 87.2 | Confident | 10 Ų | 10 | 70.9 Ų | 70.9 | 10% | 0.103 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -54.7 | -45.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y375 T461 V465 M466 D467 | Y375-G463 VanDerWaalsContact CE2-O 3.26Å; Y375-G463 WeakPolarHBondContact CE2-O 3.34Å; T461-G463 VanDerWaalsContact C-N 3.3Å; T461-G463 PolarHBondContact O-N 3.05Å; G463-V465 VanDerWaalsContact C-N 3.25Å; G463-V465 PolarHBondContact O-N 2.75Å; G463-M466 PolarHBondContact O-N 2.65Å; G463-D467 PolarHBondContact O-N 2.84Å |
| 464 | A | 85.3 | Confident | 87.4 | Confident | 55 Ų | 55 | 65.3 Ų | 65.3 | 46% | 0.455 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -74.3 | -13.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | T461 A462 K468 | T461-A464 PolarHBondContact O-N 2.74Å; A462-A464 VanDerWaalsContact C-N 3.34Å; A462-A464 PolarHBondContact O-N 3.23Å; A464-K468 WeakPolarHBondContact O-CD 3.24Å; A464-K468 WeakPolarHBondContact O-CE 3.43Å |
| 465 | V | 85.6 | Confident | 87.6 | Confident | 58 Ų | 58 | 72.5 Ų | 72.5 | 35% | 0.352 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -83.7 | -41.9 | 166.5 | 179.4 | 0 | 0 | 0 | 0 | 110.2 | A454 T461 A462 G463 K468 A469 | A454-V465 HydrophobicContact CB-CB 4.08Å; A454-V465 HydrophobicContact CB-CG1 3.87Å; T461-V465 PolarHBondContact O-N 2.91Å; T461-V465 VanDerWaalsContact O-N 3.14Å; A462-V465 CarbonylContact O-C 3.57Å; A462-V465 WeakPolarHBondContact O-CA 3.47Å; A462-V465 WeakPolarHBondContact O-CB 3.47Å; A462-V465 PolarHBondContact O-N 2.8Å; G463-V465 VanDerWaalsContact C-N 3.25Å; G463-V465 PolarHBondContact O-N 2.75Å; V465-K468 PolarHBondContact O-N 2.79Å; V465-A469 WeakPolarHBondContact O-CB 3.41Å; V465-A469 PolarHBondContact O-N 3.25Å |
| 466 | M | 87.8 | Confident | 88 | Confident | 5 Ų | 5 | 70.1 Ų | 70.1 | 3% | 0.025 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -67.3 | -38.5 | -178.6 | -67.8 | -44.1 | -65.4 | 0 | 0 | 113.5 | Y375 L447 L451 A454 A462 G463 K468 A469 K470 | Y375-M466 HydrophobicContact CD2-CB 4.06Å; L447-M466 HydrophobicContact CD1-CE 3.4Å; L447-M466 VanDerWaalsContact CD1-CE 3.4Å; L447-M466 HydrophobicContact CD2-CE 4.16Å; L447-M466 HydrophobicContact CG-CE 3.59Å; L451-M466 VanDerWaalsContact CA-SD 3.59Å; L451-M466 HydrophobicContact CB-CE 3.75Å; L451-M466 HydrophobicContact CB-SD 3.78Å; L451-M466 HydrophobicContact CD1-CE 4.22Å; L451-M466 HydrophobicContact CD1-CG 3.87Å; L451-M466 HydrophobicContact CD1-SD 3.71Å; L451-M466 HydrophobicContact CG-CE 4.44Å; L451-M466 HydrophobicContact CG-SD 4.33Å; A454-M466 HydrophobicContact CB-SD 4.38Å; A462-M466 VanDerWaalsContact O-CG 3.29Å; A462-M466 WeakPolarHBondContact O-CG 3.44Å; A462-M466 PolarHBondContact O-N 2.88Å; G463-M466 PolarHBondContact O-N 2.65Å; M466-K468 VanDerWaalsContact C-N 3.3Å; M466-K468 PolarHBondContact O-N 3.08Å; M466-A469 HydrophobicContact CE-CB 4.32Å; M466-A469 CarbonylContact O-C 3.6Å; M466-A469 WeakPolarHBondContact O-CA 3.28Å; M466-A469 WeakPolarHBondContact O-CB 3.41Å; M466-A469 PolarHBondContact O-N 3.45Å; M466-A469 VanDerWaalsContact O-N 3.12Å; M466-A469 HydrophobicContact SD-CB 4.45Å; M466-K470 PolarHBondContact O-N 3.46Å |
| 467 | D | 85.5 | Confident | 88.2 | Confident | 58 Ų | 58 | 62.8 Ų | 62.8 | 31% | 0.31 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -57.3 | -44.7 | 171.9 | 173.8 | 64.2 | 0 | 0 | 0 | 111.6 | Y375 G463 A469 K470 H471 | Y375-D467 HydrophobicContact CE1-CB 4.43Å; Y375-D467 HydrophobicContact CE2-CB 4.24Å; G463-D467 PolarHBondContact O-N 2.84Å; D467-A469 VanDerWaalsContact C-N 3.35Å; D467-K470 PolarHBondContact O-N 3.35Å; D467-H471 PolarHBondContact O-N 2.87Å; D467-H471 PolarHBondContact O-ND1 3.28Å; D467-H471 IonicContact OD1-CE1 3.59Å; D467-H471 PolarHBondContact OD1-CE1 2.88Å; D467-H471 IonicContact OD1-ND1 3.36Å |
| 468 | K | 88 | Confident | 88.4 | Confident | 144 Ų | 144 | 59.8 Ų | 59.8 | 63% | 0.626 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -68.8 | -34.2 | 175.3 | -64.2 | 170.9 | -171.8 | 160.3 | 0 | 112 | A464 V465 M466 R472 | A464-K468 WeakPolarHBondContact O-CD 3.24Å; A464-K468 WeakPolarHBondContact O-CE 3.43Å; V465-K468 PolarHBondContact O-N 2.79Å; M466-K468 VanDerWaalsContact C-N 3.3Å; M466-K468 PolarHBondContact O-N 3.08Å; K468-R472 WeakPolarHBondContact O-CB 3.04Å; K468-R472 PolarHBondContact O-N 2.81Å; K468-R472 VanDerWaalsContact O-N 3.09Å |
| 469 | A | 88.7 | Confident | 88.7 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.008 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.7 | -47.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111 | L447 M450 V465 M466 D467 H471 R472 I473 | L447-A469 HydrophobicContact CD1-CB 4.37Å; M450-A469 HydrophobicContact CB-CB 4.44Å; M450-A469 HydrophobicContact CE-CB 3.54Å; M450-A469 HydrophobicContact SD-CB 3.98Å; V465-A469 WeakPolarHBondContact O-CB 3.41Å; V465-A469 PolarHBondContact O-N 3.25Å; M466-A469 HydrophobicContact CE-CB 4.32Å; M466-A469 CarbonylContact O-C 3.6Å; M466-A469 WeakPolarHBondContact O-CA 3.28Å; M466-A469 WeakPolarHBondContact O-CB 3.41Å; M466-A469 PolarHBondContact O-N 3.45Å; M466-A469 VanDerWaalsContact O-N 3.12Å; M466-A469 HydrophobicContact SD-CB 4.45Å; D467-A469 VanDerWaalsContact C-N 3.35Å; A469-H471 PolarHBondContact O-N 3.18Å; A469-R472 WeakPolarHBondContact O-CB 3.48Å; A469-R472 PolarHBondContact O-N 2.81Å; A469-I473 HydrophobicContact CB-CD1 4.31Å; A469-I473 VanDerWaalsContact O-CG1 3.27Å; A469-I473 WeakPolarHBondContact O-CG1 3.48Å; A469-I473 PolarHBondContact O-N 3.12Å |
| 470 | K | 91.2 | Very high | 89.2 | Confident | 19 Ų | 19 | 55.4 Ų | 55.4 | 8% | 0.083 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -53.3 | -53.3 | 176.5 | -166.3 | -175.4 | 92.6 | 165.5 | 0 | 111.2 | E368 M371 D372 M466 D467 R472 I473 L474 | E368-K470 IonicContact OE1-NZ 3.36Å; E368-K470 PolarHBondContact OE1-NZ 3.39Å; M371-K470 HydrophobicContact CB-CD 3.96Å; M371-K470 HydrophobicContact CB-CG 3.87Å; M371-K470 HydrophobicContact CG-CG 4.48Å; M371-K470 HydrophobicContact SD-CG 3.9Å; D372-K470 WeakPolarHBondContact OD1-CD 3.34Å; D372-K470 IonicContact OD1-NZ 2.69Å; D372-K470 PolarHBondContact OD1-NZ 2.8Å; D372-K470 IonicContact OD2-NZ 3.34Å; D372-K470 PolarHBondContact OD2-NZ 3.45Å; M466-K470 PolarHBondContact O-N 3.46Å; D467-K470 PolarHBondContact O-N 3.35Å; K470-R472 PolarHBondContact O-N 3.27Å; K470-I473 PolarHBondContact O-N 2.7Å; K470-L474 HydrophobicContact CD-CD1 4.38Å; K470-L474 HydrophobicContact CG-CD1 3.86Å; K470-L474 HydrophobicContact CG-CG 4.4Å; K470-L474 WeakPolarHBondContact O-CB 3.41Å; K470-L474 WeakPolarHBondContact O-CG 3.46Å; K470-L474 PolarHBondContact O-N 3.24Å |
| 471 | H | 89.8 | Confident | 89.8 | Confident | 100 Ų | 100 | 46.1 Ų | 46.1 | 46% | 0.463 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -64.3 | -23.5 | 179.4 | -69.6 | 96.5 | 0 | 0 | 0 | 114.3 | D467 A469 K475 | D467-H471 PolarHBondContact O-N 2.87Å; D467-H471 PolarHBondContact O-ND1 3.28Å; D467-H471 IonicContact OD1-CE1 3.59Å; D467-H471 PolarHBondContact OD1-CE1 2.88Å; D467-H471 IonicContact OD1-ND1 3.36Å; A469-H471 PolarHBondContact O-N 3.18Å; H471-K475 WeakPolarHBondContact O-CD 3.28Å; H471-K475 WeakPolarHBondContact O-CG 3.49Å |
| 472 | R | 92.5 | Very high | 90.1 | Very high | 143 Ų | 143 | 42.9 Ų | 42.9 | 54% | 0.54 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -79.8 | -52.1 | 173.6 | -174.9 | -159.7 | 159.7 | 157.6 | 0.5 | 110.8 | K468 A469 K470 L474 K475 Q476 | K468-R472 WeakPolarHBondContact O-CB 3.04Å; K468-R472 PolarHBondContact O-N 2.81Å; K468-R472 VanDerWaalsContact O-N 3.09Å; A469-R472 WeakPolarHBondContact O-CB 3.48Å; A469-R472 PolarHBondContact O-N 2.81Å; K470-R472 PolarHBondContact O-N 3.27Å; R472-L474 PolarHBondContact O-N 3.31Å; R472-K475 WeakPolarHBondContact O-CB 3.35Å; R472-K475 PolarHBondContact O-N 2.65Å; R472-K475 VanDerWaalsContact O-N 3.09Å; R472-Q476 VanDerWaalsContact NE-OE1 3.07Å; R472-Q476 PolarHBondContact O-N 3.15Å; R472-Q476 VanDerWaalsContact O-N 3.1Å; R472-Q476 PolarHBondContact O-OE1 2.96Å |
| 473 | I | 93.6 | Very high | 90.4 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.5 | -38.4 | -174 | -61.5 | 163 | 0 | 0 | 0 | 110.6 | L58 M371 A443 T446 L447 M450 A469 K470 K475 Q476 F477 | L58-I473 HydrophobicContact CD2-CG2 3.68Å; M371-I473 HydrophobicContact CE-CB 4.01Å; M371-I473 HydrophobicContact CE-CD1 4.48Å; M371-I473 HydrophobicContact CE-CG2 3.45Å; M371-I473 VanDerWaalsContact CE-CG2 3.45Å; A443-I473 HydrophobicContact CB-CG2 4.07Å; T446-I473 HydrophobicContact CG2-CD1 4.08Å; T446-I473 HydrophobicContact CG2-CG1 3.86Å; L447-I473 HydrophobicContact CB-CD1 3.9Å; L447-I473 HydrophobicContact CD1-CD1 3.5Å; L447-I473 VanDerWaalsContact CD1-CD1 3.5Å; L447-I473 HydrophobicContact CG-CD1 4.31Å; M450-I473 HydrophobicContact SD-CD1 3.97Å; M450-I473 HydrophobicContact SD-CG1 4.18Å; A469-I473 HydrophobicContact CB-CD1 4.31Å; A469-I473 VanDerWaalsContact O-CG1 3.27Å; A469-I473 WeakPolarHBondContact O-CG1 3.48Å; A469-I473 PolarHBondContact O-N 3.12Å; K470-I473 PolarHBondContact O-N 2.7Å; I473-K475 VanDerWaalsContact C-N 3.27Å; I473-K475 PolarHBondContact O-N 3.44Å; I473-Q476 PolarHBondContact O-N 3Å; I473-Q476 VanDerWaalsContact O-N 3.15Å; I473-F477 WeakPolarHBondContact O-CB 3.42Å; I473-F477 PolarHBondContact O-N 3Å |
| 474 | L | 93.6 | Very high | 90.8 | Very high | 6 Ų | 6 | 46.2 Ų | 46.2 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.2 | -34 | 173.9 | -69.5 | 172.5 | 0 | 0 | 0 | 112.6 | E368 M371 K470 R472 D478 | E368-L474 HydrophobicContact CB-CD1 4.07Å; E368-L474 HydrophobicContact CB-CD2 3.98Å; E368-L474 VanDerWaalsContact CD-CD1 3.49Å; E368-L474 HydrophobicContact CG-CD1 3.84Å; E368-L474 WeakPolarHBondContact OE1-CD1 3.41Å; M371-L474 HydrophobicContact SD-CD2 4.15Å; M371-L474 HydrophobicContact SD-CG 4.2Å; K470-L474 HydrophobicContact CD-CD1 4.38Å; K470-L474 HydrophobicContact CG-CD1 3.86Å; K470-L474 HydrophobicContact CG-CG 4.4Å; K470-L474 WeakPolarHBondContact O-CB 3.41Å; K470-L474 WeakPolarHBondContact O-CG 3.46Å; K470-L474 PolarHBondContact O-N 3.24Å; R472-L474 PolarHBondContact O-N 3.31Å; L474-D478 WeakPolarHBondContact O-CB 3.49Å; L474-D478 PolarHBondContact O-N 2.86Å; L474-D478 VanDerWaalsContact O-OD2 3.13Å |
| 475 | K | 92.8 | Very high | 91.2 | Very high | 154 Ų | 154 | 43.8 Ų | 43.8 | 67% | 0.67 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -71.6 | -36.8 | 174 | -70.2 | 175.1 | -178.8 | 178.1 | 0 | 112.8 | H471 R472 I473 D478 Y479 | H471-K475 WeakPolarHBondContact O-CD 3.28Å; H471-K475 WeakPolarHBondContact O-CG 3.49Å; R472-K475 WeakPolarHBondContact O-CB 3.35Å; R472-K475 PolarHBondContact O-N 2.65Å; R472-K475 VanDerWaalsContact O-N 3.09Å; I473-K475 VanDerWaalsContact C-N 3.27Å; I473-K475 PolarHBondContact O-N 3.44Å; K475-D478 PolarHBondContact O-N 3.06Å; K475-Y479 PolarHBondContact O-N 3Å; K475-Y479 VanDerWaalsContact O-N 3.09Å |
| 476 | Q | 93.2 | Very high | 91.6 | Very high | 16 Ų | 16 | 42.4 Ų | 42.4 | 8% | 0.075 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.8 | -43.9 | 174 | -65.3 | 169.2 | -90.7 | 0 | 0 | 110 | Q57 L58 R472 I473 Y479 D480 | Q57-Q476 HydrophobicContact CB-CB 3.98Å; Q57-Q476 HydrophobicContact CB-CG 4.07Å; Q57-Q476 PolarHBondContact O-NE2 3.29Å; L58-Q476 HydrophobicContact CD2-CB 3.56Å; L58-Q476 HydrophobicContact CG-CB 3.95Å; R472-Q476 VanDerWaalsContact NE-OE1 3.07Å; R472-Q476 PolarHBondContact O-N 3.15Å; R472-Q476 VanDerWaalsContact O-N 3.1Å; R472-Q476 PolarHBondContact O-OE1 2.96Å; I473-Q476 PolarHBondContact O-N 3Å; I473-Q476 VanDerWaalsContact O-N 3.15Å; Q476-Y479 PolarHBondContact O-N 3.18Å; Q476-D480 WeakPolarHBondContact O-CB 3.41Å; Q476-D480 PolarHBondContact O-N 3.43Å |
| 477 | F | 93.5 | Very high | 91.9 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 0% | 0.004 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.2 | -46.8 | 172 | -172.8 | -73.5 | 0 | 0 | 0 | 112 | L58 R364 L439 M440 A443 I473 Y479 D480 S481 | L58-F477 HydrophobicContact CD1-CB 4.3Å; L58-F477 HydrophobicContact CD1-CD2 4.39Å; R364-F477 HydrophobicContact CB-CD1 4.1Å; R364-F477 HydrophobicContact CB-CE1 3.56Å; R364-F477 HydrophobicContact CB-CZ 4.23Å; R364-F477 HydrophobicContact CG-CD1 3.81Å; R364-F477 HydrophobicContact CG-CE1 3.83Å; L439-F477 HydrophobicContact CB-CE2 4.41Å; L439-F477 HydrophobicContact CD2-CD1 4.13Å; L439-F477 HydrophobicContact CD2-CD2 4.03Å; L439-F477 HydrophobicContact CD2-CE1 3.76Å; L439-F477 HydrophobicContact CD2-CE2 3.69Å; L439-F477 HydrophobicContact CD2-CG 4.24Å; L439-F477 HydrophobicContact CD2-CZ 3.54Å; L439-F477 HydrophobicContact CG-CD2 3.82Å; L439-F477 HydrophobicContact CG-CE2 3.64Å; L439-F477 HydrophobicContact CG-CG 4.38Å; L439-F477 HydrophobicContact CG-CZ 4.05Å; M440-F477 HydrophobicContact SD-CE2 3.77Å; M440-F477 HydrophobicContact SD-CZ 4.03Å; A443-F477 HydrophobicContact CB-CD2 3.94Å; I473-F477 WeakPolarHBondContact O-CB 3.42Å; I473-F477 PolarHBondContact O-N 3Å; F477-Y479 VanDerWaalsContact C-N 3.28Å; F477-Y479 PolarHBondContact O-N 3.35Å; F477-D480 PolarHBondContact O-N 3.22Å; F477-S481 WeakPolarHBondContact O-CA 3.17Å; F477-S481 WeakPolarHBondContact O-CB 3.43Å; F477-S481 PolarHBondContact O-N 2.96Å |
| 478 | D | 92.3 | Very high | 92.3 | Very high | 35 Ų | 35 | 43.6 Ų | 43.6 | 19% | 0.187 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63 | -33.6 | 179.8 | -75.4 | -31.8 | 0 | 0 | 0 | 112 | R364 L474 K475 S482 F562 | R364-D478 WeakPolarHBondContact CD-OD1 3.28Å; R364-D478 IonicContact CZ-OD2 2.92Å; R364-D478 VanDerWaalsContact NE-CG 3.35Å; R364-D478 IonicContact NE-OD1 2.69Å; R364-D478 PolarHBondContact NE-OD1 2.6Å; R364-D478 IonicContact NE-OD2 2.76Å; R364-D478 PolarHBondContact NE-OD2 3.42Å; R364-D478 IonicContact NH2-OD2 3.87Å; R364-D478 PolarHBondContact NH2-OD2 3.09Å; L474-D478 WeakPolarHBondContact O-CB 3.49Å; L474-D478 PolarHBondContact O-N 2.86Å; L474-D478 VanDerWaalsContact O-OD2 3.13Å; K475-D478 PolarHBondContact O-N 3.06Å; D478-S482 PolarHBondContact O-N 3.44Å; D478-F562 HydrophobicContact CB-CE2 4.18Å |
| 479 | Y | 91.3 | Very high | 92.6 | Very high | 82 Ų | 82 | 36.8 Ų | 36.8 | 32% | 0.322 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -71.5 | -57 | 171.9 | 179.2 | -89.4 | 0 | 0 | 0 | 112.3 | Q57 K475 Q476 F477 S481 S482 T483 | Q57-Y479 HydrophobicContact CB-CD1 4.37Å; Q57-Y479 VanDerWaalsContact CD-CD1 3.42Å; Q57-Y479 HydrophobicContact CG-CD1 3.6Å; Q57-Y479 HydrophobicContact CG-CE1 3.85Å; Q57-Y479 HydrophobicContact CG-CG 4.35Å; Q57-Y479 VanDerWaalsContact NE2-CE1 3.29Å; K475-Y479 PolarHBondContact O-N 3Å; K475-Y479 VanDerWaalsContact O-N 3.09Å; Q476-Y479 PolarHBondContact O-N 3.18Å; F477-Y479 VanDerWaalsContact C-N 3.28Å; F477-Y479 PolarHBondContact O-N 3.35Å; Y479-S481 VanDerWaalsContact C-N 3.3Å; Y479-S481 PolarHBondContact O-N 2.85Å; Y479-S482 WeakPolarHBondContact O-CA 3.29Å; Y479-S482 WeakPolarHBondContact O-CB 3.17Å; Y479-S482 PolarHBondContact O-N 2.97Å; Y479-T483 PolarHBondContact O-N 3.04Å; Y479-T483 PolarHBondContact O-OG1 2.99Å |
| 480 | D | 92.9 | Very high | 92.9 | Very high | 7 Ų | 7 | 39.7 Ų | 39.7 | 4% | 0.037 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.5 | -37.6 | -176.6 | -72.9 | -20.2 | 0 | 0 | 0 | 111 | Q57 L58 L439 Q476 F477 S482 T483 V484 | Q57-D480 PolarHBondContact N-OD1 3.11Å; Q57-D480 PolarHBondContact N-OD2 2.86Å; Q57-D480 VanDerWaalsContact N-OD2 3.1Å; L58-D480 WeakPolarHBondContact CB-OD2 3.44Å; L58-D480 WeakPolarHBondContact CG-OD2 3.43Å; L58-D480 PolarHBondContact N-OD2 3.34Å; L439-D480 HydrophobicContact CD1-CB 3.59Å; Q476-D480 WeakPolarHBondContact O-CB 3.41Å; Q476-D480 PolarHBondContact O-N 3.43Å; F477-D480 PolarHBondContact O-N 3.22Å; D480-S482 VanDerWaalsContact C-N 3.31Å; D480-S482 PolarHBondContact O-N 3.49Å; D480-T483 PolarHBondContact O-N 2.97Å; D480-T483 VanDerWaalsContact O-N 3.13Å; D480-V484 WeakPolarHBondContact O-CB 3.42Å; D480-V484 WeakPolarHBondContact O-CG2 3.39Å; D480-V484 PolarHBondContact O-N 3.45Å |
| 481 | S | 93.9 | Very high | 93 | Very high | 4 Ų | 4 | 43.3 Ų | 43.3 | 3% | 0.028 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -54.6 | -42.9 | 168.4 | 172.1 | 0 | 0 | 0 | 0 | 112.5 | F477 Y479 R485 | F477-S481 WeakPolarHBondContact O-CA 3.17Å; F477-S481 WeakPolarHBondContact O-CB 3.43Å; F477-S481 PolarHBondContact O-N 2.96Å; Y479-S481 VanDerWaalsContact C-N 3.3Å; Y479-S481 PolarHBondContact O-N 2.85Å; S481-R485 VanDerWaalsContact O-CB 3.27Å; S481-R485 WeakPolarHBondContact O-CB 3.41Å; S481-R485 VanDerWaalsContact O-CG 3.25Å; S481-R485 WeakPolarHBondContact O-CG 3.49Å; S481-R485 PolarHBondContact O-N 3.05Å; S481-R485 PolarHBondContact O-NE 3.32Å; S481-R485 PolarHBondContact OG-NE 2.98Å |
| 482 | S | 91.3 | Very high | 93.2 | Very high | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.014 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -72.8 | -28.5 | 177.9 | -173.7 | 0 | 0 | 0 | 0 | 112.9 | D478 Y479 D480 K486 F562 | D478-S482 PolarHBondContact O-N 3.44Å; Y479-S482 WeakPolarHBondContact O-CA 3.29Å; Y479-S482 WeakPolarHBondContact O-CB 3.17Å; Y479-S482 PolarHBondContact O-N 2.97Å; D480-S482 VanDerWaalsContact C-N 3.31Å; D480-S482 PolarHBondContact O-N 3.49Å; S482-K486 WeakPolarHBondContact O-CD 3.35Å; S482-K486 VanDerWaalsContact O-CG 3.24Å; S482-K486 WeakPolarHBondContact O-CG 3.34Å; S482-K486 PolarHBondContact O-N 3.36Å; S482-F562 PolarHBondContact OG-N 2.89Å |
| 483 | T | 91.3 | Very high | 93.2 | Very high | 52 Ų | 52 | 31.7 Ų | 31.7 | 32% | 0.319 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -74.4 | -49.2 | 175.3 | -59.5 | 0 | 0 | 0 | 0 | 110.7 | Y479 D480 R485 K486 R487 | Y479-T483 PolarHBondContact O-N 3.04Å; Y479-T483 PolarHBondContact O-OG1 2.99Å; D480-T483 PolarHBondContact O-N 2.97Å; D480-T483 VanDerWaalsContact O-N 3.13Å; T483-R485 PolarHBondContact O-N 2.88Å; T483-K486 PolarHBondContact O-N 3.36Å; T483-R487 PolarHBondContact O-N 3.35Å; T483-R487 VanDerWaalsContact O-N 3.15Å |
| 484 | V | 93.4 | Very high | 93.3 | Very high | 28 Ų | 28 | 32.8 Ų | 32.8 | 17% | 0.17 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.7 | -46.9 | 175.5 | 168.1 | 0 | 0 | 0 | 0 | 111.2 | F360 D435 D480 K486 R487 I488 | F360-V484 HydrophobicContact CE1-CB 4.43Å; F360-V484 HydrophobicContact CE1-CG1 3.79Å; F360-V484 HydrophobicContact CZ-CG1 3.69Å; D435-V484 HydrophobicContact CB-CG1 3.86Å; D480-V484 WeakPolarHBondContact O-CB 3.42Å; D480-V484 WeakPolarHBondContact O-CG2 3.39Å; D480-V484 PolarHBondContact O-N 3.45Å; V484-K486 PolarHBondContact O-N 3.24Å; V484-R487 PolarHBondContact O-N 3.02Å; V484-I488 HydrophobicContact CG1-CD1 3.6Å; V484-I488 HydrophobicContact CG1-CG1 4.41Å; V484-I488 VanDerWaalsContact O-CG1 3.31Å; V484-I488 WeakPolarHBondContact O-CG1 3.4Å; V484-I488 PolarHBondContact O-N 3.33Å |
| 485 | R | 94 | Very high | 93.2 | Very high | 4 Ų | 4 | 34.2 Ų | 34.2 | 2% | 0.015 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.5 | -40.7 | 178.3 | -75.5 | -175.8 | -68.2 | 132.8 | 2.9 | 113.4 | I356 S357 F360 S481 T483 R487 I488 F489 H559 N560 L561 | I356-R485 HydrophobicContact CG2-CG 4.15Å; S357-R485 PolarHBondContact OG-NH1 3.27Å; F360-R485 HydrophobicContact CB-CG 4.49Å; F360-R485 HydrophobicContact CD1-CG 4.13Å; F360-R485 HydrophobicContact CD2-CG 3.92Å; F360-R485 HydrophobicContact CE1-CG 4.33Å; F360-R485 HydrophobicContact CE2-CG 4.13Å; F360-R485 HydrophobicContact CG-CG 3.92Å; F360-R485 HydrophobicContact CZ-CG 4.33Å; S481-R485 VanDerWaalsContact O-CB 3.27Å; S481-R485 WeakPolarHBondContact O-CB 3.41Å; S481-R485 VanDerWaalsContact O-CG 3.25Å; S481-R485 WeakPolarHBondContact O-CG 3.49Å; S481-R485 PolarHBondContact O-N 3.05Å; S481-R485 PolarHBondContact O-NE 3.32Å; S481-R485 PolarHBondContact OG-NE 2.98Å; T483-R485 PolarHBondContact O-N 2.88Å; R485-R487 PolarHBondContact O-N 3.36Å; R485-I488 PolarHBondContact O-N 3Å; R485-F489 HydrophobicContact CB-CE2 3.83Å; R485-F489 HydrophobicContact CB-CZ 4.06Å; R485-F489 WeakPolarHBondContact O-CD2 3.29Å; R485-F489 WeakPolarHBondContact O-CE2 3.37Å; R485-F489 WeakPolarHBondContact O-CG 3.49Å; R485-F489 PolarHBondContact O-N 3.46Å; R485-H559 PolarHBondContact NH1-O 2.86Å; R485-N560 PolarHBondContact NH2-O 2.86Å; R485-L561 HydrophobicContact CB-CD2 4.34Å |
| 486 | K | 92.8 | Very high | 93.1 | Very high | 29 Ų | 29 | 27 Ų | 27 | 13% | 0.126 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -56.8 | -49.5 | 173.8 | -75.9 | 167 | -173.7 | 170.3 | 0 | 111.3 | S482 T483 V484 I488 F489 Q490 V550 L561 F562 | S482-K486 WeakPolarHBondContact O-CD 3.35Å; S482-K486 VanDerWaalsContact O-CG 3.24Å; S482-K486 WeakPolarHBondContact O-CG 3.34Å; S482-K486 PolarHBondContact O-N 3.36Å; T483-K486 PolarHBondContact O-N 3.36Å; V484-K486 PolarHBondContact O-N 3.24Å; K486-I488 PolarHBondContact O-N 3.13Å; K486-F489 PolarHBondContact O-N 3.08Å; K486-F489 VanDerWaalsContact O-N 3.16Å; K486-Q490 WeakPolarHBondContact O-CG 3.34Å; K486-Q490 PolarHBondContact O-N 3.35Å; K486-Q490 PolarHBondContact O-OE1 2.88Å; K486-V550 HydrophobicContact CB-CG1 4.34Å; K486-V550 HydrophobicContact CG-CG1 4.19Å; K486-L561 HydrophobicContact CG-CD2 4.05Å; K486-F562 WeakPolarHBondContact CE-O 3.35Å; K486-F562 PolarHBondContact NZ-O 3.17Å |
| 487 | R | 93.8 | Very high | 93.1 | Very high | 86 Ų | 86 | 26.2 Ų | 26.2 | 33% | 0.325 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -57.2 | -49.8 | 177.3 | 179.4 | -179.1 | 58.1 | 68.9 | 4 | 111.1 | D435 T483 V484 R485 F489 Q490 E491 | D435-R487 IonicContact OD2-CZ 3.5Å; D435-R487 IonicContact OD2-NH1 2.76Å; D435-R487 PolarHBondContact OD2-NH1 3.26Å; D435-R487 IonicContact OD2-NH2 3.72Å; D435-R487 PolarHBondContact OD2-NH2 3.31Å; T483-R487 PolarHBondContact O-N 3.35Å; T483-R487 VanDerWaalsContact O-N 3.15Å; V484-R487 PolarHBondContact O-N 3.02Å; R485-R487 PolarHBondContact O-N 3.36Å; R487-F489 VanDerWaalsContact C-N 3.28Å; R487-F489 PolarHBondContact O-N 3.08Å; R487-Q490 PolarHBondContact O-N 3.46Å; R487-Q490 VanDerWaalsContact O-N 3.15Å; R487-E491 WeakPolarHBondContact CD-OE1 3.49Å; R487-E491 HydrophobicContact CG-CG 4.22Å; R487-E491 WeakPolarHBondContact CG-OE1 3.45Å; R487-E491 IonicContact CZ-OE1 2.6Å; R487-E491 IonicContact NE-OE1 2.79Å; R487-E491 IonicContact NH1-OE1 3.5Å; R487-E491 PolarHBondContact NH1-OE1 3.33Å; R487-E491 IonicContact NH1-OE2 3.65Å; R487-E491 PolarHBondContact NH1-OE2 3.05Å; R487-E491 WeakPolarHBondContact O-CB 3.36Å; R487-E491 WeakPolarHBondContact O-CG 3.27Å; R487-E491 PolarHBondContact O-N 3.24Å |
| 488 | I | 94.7 | Very high | 93.2 | Very high | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.01 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -57.4 | -40.5 | 177.4 | -67 | 162.2 | 0 | 0 | 0 | 111.3 | I356 F360 V428 A432 D435 V484 R485 K486 A492 | I356-I488 HydrophobicContact CD1-CG2 3.85Å; I356-I488 HydrophobicContact CG2-CG2 4.49Å; F360-I488 HydrophobicContact CE2-CD1 4.09Å; F360-I488 HydrophobicContact CZ-CD1 3.89Å; V428-I488 HydrophobicContact CG1-CG2 4.28Å; A432-I488 HydrophobicContact CB-CD1 3.85Å; A432-I488 HydrophobicContact CB-CG1 4.45Å; A432-I488 HydrophobicContact CB-CG2 4Å; D435-I488 HydrophobicContact CB-CD1 4.37Å; V484-I488 HydrophobicContact CG1-CD1 3.6Å; V484-I488 HydrophobicContact CG1-CG1 4.41Å; V484-I488 VanDerWaalsContact O-CG1 3.31Å; V484-I488 WeakPolarHBondContact O-CG1 3.4Å; V484-I488 PolarHBondContact O-N 3.33Å; R485-I488 PolarHBondContact O-N 3Å; K486-I488 PolarHBondContact O-N 3.13Å; I488-A492 WeakPolarHBondContact O-CB 3.45Å; I488-A492 PolarHBondContact O-N 3.26Å |
| 489 | F | 94.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -67.8 | -39.8 | 177.5 | -60.1 | -36.8 | 0 | 0 | 0 | 112.8 | L349 L352 M353 I356 R485 K486 R487 L493 V550 L561 | L349-F489 HydrophobicContact CD1-CB 3.7Å; L349-F489 HydrophobicContact CD1-CD1 4.41Å; L349-F489 HydrophobicContact CD1-CD2 4.33Å; L349-F489 HydrophobicContact CD1-CG 3.91Å; L352-F489 HydrophobicContact CB-CD1 4.21Å; M353-F489 HydrophobicContact CB-CE1 4.41Å; M353-F489 HydrophobicContact CB-CZ 4.13Å; M353-F489 HydrophobicContact CG-CD1 4.38Å; M353-F489 HydrophobicContact CG-CD2 4.03Å; M353-F489 HydrophobicContact CG-CE1 4.07Å; M353-F489 HydrophobicContact CG-CE2 3.68Å; M353-F489 HydrophobicContact CG-CG 4.4Å; M353-F489 HydrophobicContact CG-CZ 3.73Å; M353-F489 HydrophobicContact SD-CE2 4.5Å; I356-F489 HydrophobicContact CB-CE1 3.79Å; I356-F489 HydrophobicContact CB-CZ 4.26Å; I356-F489 HydrophobicContact CD1-CD1 4.13Å; I356-F489 HydrophobicContact CD1-CE1 3.76Å; I356-F489 HydrophobicContact CG1-CE1 4.35Å; I356-F489 HydrophobicContact CG2-CE1 3.72Å; I356-F489 HydrophobicContact CG2-CZ 3.97Å; R485-F489 HydrophobicContact CB-CE2 3.83Å; R485-F489 HydrophobicContact CB-CZ 4.06Å; R485-F489 WeakPolarHBondContact O-CD2 3.29Å; R485-F489 WeakPolarHBondContact O-CE2 3.37Å; R485-F489 WeakPolarHBondContact O-CG 3.49Å; R485-F489 PolarHBondContact O-N 3.46Å; K486-F489 PolarHBondContact O-N 3.08Å; K486-F489 VanDerWaalsContact O-N 3.16Å; R487-F489 VanDerWaalsContact C-N 3.28Å; R487-F489 PolarHBondContact O-N 3.08Å; F489-L493 WeakPolarHBondContact O-CB 3.45Å; F489-L493 VanDerWaalsContact O-CG 3.3Å; F489-L493 WeakPolarHBondContact O-CG 3.19Å; F489-L493 PolarHBondContact O-N 3.43Å; F489-V550 HydrophobicContact CB-CG2 4.31Å; F489-L561 HydrophobicContact CD2-CD1 4.3Å; F489-L561 HydrophobicContact CE2-CD1 4.13Å; F489-L561 HydrophobicContact CE2-CD2 4.11Å; F489-L561 HydrophobicContact CE2-CG 4.48Å |
| 490 | Q | 94.6 | Very high | 93.4 | Very high | 62 Ų | 62 | 23.6 Ų | 23.6 | 29% | 0.29 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -64.6 | -50.9 | 174.8 | -65.4 | 172.2 | -82.7 | 0 | 0 | 110.7 | K486 R487 A492 L493 V494 V546 S547 V550 | K486-Q490 WeakPolarHBondContact O-CG 3.34Å; K486-Q490 PolarHBondContact O-N 3.35Å; K486-Q490 PolarHBondContact O-OE1 2.88Å; R487-Q490 PolarHBondContact O-N 3.46Å; R487-Q490 VanDerWaalsContact O-N 3.15Å; Q490-A492 VanDerWaalsContact C-N 3.32Å; Q490-A492 PolarHBondContact O-N 3.03Å; Q490-L493 PolarHBondContact O-N 3.46Å; Q490-V494 WeakPolarHBondContact O-CG2 3.45Å; Q490-V494 PolarHBondContact O-N 2.98Å; Q490-V546 HydrophobicContact CB-CG1 4.01Å; Q490-V546 HydrophobicContact CG-CG1 4Å; Q490-S547 PolarHBondContact NE2-OG 3.5Å; Q490-V550 HydrophobicContact CG-CB 4.39Å; Q490-V550 HydrophobicContact CG-CG1 4.32Å; Q490-V550 HydrophobicContact CG-CG2 4.09Å |
| 491 | E | 93.1 | Very high | 93.5 | Very high | 95 Ų | 95 | 23.3 Ų | 23.3 | 44% | 0.444 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -56.4 | -42.4 | 175.9 | -72.4 | 170.5 | -177.3 | 0 | 0 | 112.3 | R487 S495 | R487-E491 WeakPolarHBondContact CD-OE1 3.49Å; R487-E491 HydrophobicContact CG-CG 4.22Å; R487-E491 WeakPolarHBondContact CG-OE1 3.45Å; R487-E491 IonicContact CZ-OE1 2.6Å; R487-E491 IonicContact NE-OE1 2.79Å; R487-E491 IonicContact NH1-OE1 3.5Å; R487-E491 PolarHBondContact NH1-OE1 3.33Å; R487-E491 IonicContact NH1-OE2 3.65Å; R487-E491 PolarHBondContact NH1-OE2 3.05Å; R487-E491 WeakPolarHBondContact O-CB 3.36Å; R487-E491 WeakPolarHBondContact O-CG 3.27Å; R487-E491 PolarHBondContact O-N 3.24Å; E491-S495 VanDerWaalsContact O-CB 3.24Å; E491-S495 WeakPolarHBondContact O-CB 3.08Å; E491-S495 PolarHBondContact O-N 3.48Å |
| 492 | A | 93.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -67 | -45.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L352 V428 I488 Q490 S495 I496 | L352-A492 HydrophobicContact CD1-CB 3.92Å; L352-A492 HydrophobicContact CD2-CB 3.73Å; L352-A492 HydrophobicContact CG-CB 4.5Å; V428-A492 HydrophobicContact CG1-CB 3.74Å; V428-A492 HydrophobicContact CG2-CB 4.28Å; I488-A492 WeakPolarHBondContact O-CB 3.45Å; I488-A492 PolarHBondContact O-N 3.26Å; Q490-A492 VanDerWaalsContact C-N 3.32Å; Q490-A492 PolarHBondContact O-N 3.03Å; A492-S495 PolarHBondContact O-N 3.23Å; A492-I496 WeakPolarHBondContact O-CG1 3.48Å; A492-I496 PolarHBondContact O-N 3.2Å; A492-I496 VanDerWaalsContact O-N 3.08Å |
| 493 | L | 94.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.4 | -41.5 | 176.9 | -71.9 | 174.6 | 0 | 0 | 0 | 111.3 | L345 V348 L349 L352 F489 Q490 I496 M497 V546 V550 | L345-L493 HydrophobicContact CD1-CD1 4.1Å; L345-L493 HydrophobicContact CD1-CD2 4.13Å; L345-L493 HydrophobicContact CD1-CG 4.5Å; V348-L493 HydrophobicContact CB-CD2 4.04Å; V348-L493 HydrophobicContact CG1-CD2 3.7Å; L349-L493 HydrophobicContact CB-CD1 4.32Å; L349-L493 HydrophobicContact CD1-CD1 4.13Å; L352-L493 HydrophobicContact CD1-CD2 3.64Å; L352-L493 HydrophobicContact CD1-CG 3.9Å; F489-L493 WeakPolarHBondContact O-CB 3.45Å; F489-L493 VanDerWaalsContact O-CG 3.3Å; F489-L493 WeakPolarHBondContact O-CG 3.19Å; F489-L493 PolarHBondContact O-N 3.43Å; Q490-L493 PolarHBondContact O-N 3.46Å; L493-I496 PolarHBondContact O-N 3.18Å; L493-M497 WeakPolarHBondContact O-CB 3.39Å; L493-M497 VanDerWaalsContact O-CG 3.28Å; L493-M497 WeakPolarHBondContact O-CG 3.46Å; L493-M497 PolarHBondContact O-N 2.94Å; L493-V546 HydrophobicContact CB-CG1 4.08Å; L493-V546 HydrophobicContact CB-CG2 4Å; L493-V546 HydrophobicContact CD1-CG1 4.08Å; L493-V550 HydrophobicContact CD1-CG2 4.2Å |
| 494 | V | 94 | Very high | 93.7 | Very high | 24 Ų | 24 | 30.7 Ų | 30.7 | 15% | 0.145 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62 | -44.8 | 173.3 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | Q490 I496 M497 L498 L539 L542 D543 V546 | Q490-V494 WeakPolarHBondContact O-CG2 3.45Å; Q490-V494 PolarHBondContact O-N 2.98Å; V494-I496 PolarHBondContact O-N 3.18Å; V494-M497 PolarHBondContact O-N 3.17Å; V494-L498 HydrophobicContact CG1-CB 4.18Å; V494-L498 HydrophobicContact CG1-CD2 4.21Å; V494-L498 VanDerWaalsContact O-CB 3.23Å; V494-L498 WeakPolarHBondContact O-CB 3.42Å; V494-L498 PolarHBondContact O-N 3.09Å; V494-L539 HydrophobicContact CG1-CD1 3.64Å; V494-L539 HydrophobicContact CG2-CD1 4.14Å; V494-L542 HydrophobicContact CB-CD2 4.42Å; V494-L542 HydrophobicContact CG1-CD2 4.43Å; V494-L542 HydrophobicContact CG2-CD2 4.16Å; V494-L542 HydrophobicContact CG2-CG 4.48Å; V494-D543 VanDerWaalsContact CG2-OD1 3.26Å; V494-D543 WeakPolarHBondContact CG2-OD1 3.41Å; V494-V546 HydrophobicContact CG2-CG2 4.48Å |
| 495 | S | 91.4 | Very high | 93.8 | Very high | 36 Ų | 36 | 29.7 Ų | 29.7 | 25% | 0.252 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -64.1 | -21 | 178.2 | -175.1 | 0 | 0 | 0 | 0 | 114.2 | E491 A492 | E491-S495 VanDerWaalsContact O-CB 3.24Å; E491-S495 WeakPolarHBondContact O-CB 3.08Å; E491-S495 PolarHBondContact O-N 3.48Å; A492-S495 PolarHBondContact O-N 3.23Å |
| 496 | I | 91.8 | Very high | 93.7 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -90.9 | -48.4 | 175 | -67.5 | 166.2 | 0 | 0 | 0 | 110.5 | V348 L352 L413 F420 F422 L425 A492 L493 V494 | V348-I496 HydrophobicContact CG1-CD1 3.94Å; L352-I496 HydrophobicContact CD1-CD1 4.48Å; L413-I496 HydrophobicContact CD1-CD1 4.45Å; F420-I496 HydrophobicContact CB-CG2 3.97Å; F420-I496 HydrophobicContact CD2-CG2 4.2Å; F420-I496 HydrophobicContact CG-CG2 4.13Å; F422-I496 HydrophobicContact CD1-CG1 4.41Å; F422-I496 HydrophobicContact CD1-CG2 3.95Å; F422-I496 HydrophobicContact CE1-CG1 4.27Å; F422-I496 HydrophobicContact CE1-CG2 3.82Å; L425-I496 HydrophobicContact CD1-CD1 4.01Å; L425-I496 HydrophobicContact CD1-CG1 3.66Å; L425-I496 HydrophobicContact CD2-CD1 4.48Å; A492-I496 WeakPolarHBondContact O-CG1 3.48Å; A492-I496 PolarHBondContact O-N 3.2Å; A492-I496 VanDerWaalsContact O-N 3.08Å; L493-I496 PolarHBondContact O-N 3.18Å; V494-I496 PolarHBondContact O-N 3.18Å |
| 497 | M | 93.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -88.9 | -34 | -166.8 | -58 | -60.5 | -177.2 | 0 | 0 | 113.9 | V341 V348 F420 L493 V494 F500 I501 L542 | V341-M497 HydrophobicContact CG1-CB 4.09Å; V341-M497 HydrophobicContact CG1-CG 3.86Å; V341-M497 HydrophobicContact CG1-SD 3.95Å; V348-M497 HydrophobicContact CB-CE 4.28Å; V348-M497 HydrophobicContact CG1-CE 4.45Å; V348-M497 HydrophobicContact CG2-CE 3.88Å; F420-M497 HydrophobicContact CD1-CE 4.47Å; F420-M497 HydrophobicContact CD1-SD 3.64Å; F420-M497 HydrophobicContact CD2-CE 4.36Å; F420-M497 HydrophobicContact CD2-SD 4.42Å; F420-M497 HydrophobicContact CE1-CE 4.04Å; F420-M497 HydrophobicContact CE1-SD 3.52Å; F420-M497 VanDerWaalsContact CE1-SD 3.52Å; F420-M497 HydrophobicContact CE2-CE 3.9Å; F420-M497 HydrophobicContact CE2-SD 4.31Å; F420-M497 HydrophobicContact CG-SD 4.11Å; F420-M497 HydrophobicContact CZ-CE 3.73Å; F420-M497 HydrophobicContact CZ-SD 3.88Å; L493-M497 WeakPolarHBondContact O-CB 3.39Å; L493-M497 VanDerWaalsContact O-CG 3.28Å; L493-M497 WeakPolarHBondContact O-CG 3.46Å; L493-M497 PolarHBondContact O-N 2.94Å; V494-M497 PolarHBondContact O-N 3.17Å; M497-F500 WeakPolarHBondContact O-CB 3.05Å; M497-F500 PolarHBondContact O-N 3.31Å; M497-I501 WeakPolarHBondContact O-CG1 3.29Å; M497-I501 PolarHBondContact O-N 3.43Å; M497-L542 HydrophobicContact CB-CD1 3.86Å; M497-L542 HydrophobicContact CB-CD2 4Å |
| 498 | L | 94.8 | Very high | 93.3 | Very high | 14 Ų | 14 | 34.3 Ų | 34.3 | 7% | 0.073 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.6 | -41.5 | -179.4 | -174.7 | 63.9 | 0 | 0 | 0 | 112.9 | V494 F500 I501 K502 E535 L538 L539 L542 | V494-L498 HydrophobicContact CG1-CB 4.18Å; V494-L498 HydrophobicContact CG1-CD2 4.21Å; V494-L498 VanDerWaalsContact O-CB 3.23Å; V494-L498 WeakPolarHBondContact O-CB 3.42Å; V494-L498 PolarHBondContact O-N 3.09Å; L498-F500 VanDerWaalsContact C-N 3.31Å; L498-F500 PolarHBondContact O-N 3.2Å; L498-I501 PolarHBondContact O-N 3.04Å; L498-K502 HydrophobicContact CD1-CD 4.22Å; L498-K502 HydrophobicContact CD1-CG 4.15Å; L498-K502 HydrophobicContact CG-CD 4.07Å; L498-K502 HydrophobicContact CG-CG 4.38Å; L498-K502 WeakPolarHBondContact O-CB 3.5Å; L498-K502 WeakPolarHBondContact O-CG 3.49Å; L498-K502 PolarHBondContact O-N 3.1Å; L498-E535 HydrophobicContact CD2-CG 4.37Å; L498-L538 HydrophobicContact CD1-CB 3.99Å; L498-L539 HydrophobicContact CD2-CD1 4.38Å; L498-L542 HydrophobicContact CB-CD2 3.8Å; L498-L542 HydrophobicContact CD1-CD2 4.49Å |
| 499 | P | 93.3 | Very high | 93.1 | Very high | 19 Ų | 19 | 34.3 Ų | 34.3 | 12% | 0.123 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -56.9 | -41.8 | 170.7 | -28.8 | 38.3 | 0 | 0 | 0 | 113.5 | Y225 K503 | Y225-P499 WeakPolarHBondContact O-CB 3.45Å; P499-K503 VanDerWaalsContact O-CB 3.28Å; P499-K503 WeakPolarHBondContact O-CB 3.29Å; P499-K503 PolarHBondContact O-N 3.23Å |
| 500 | F | 93.6 | Very high | 92.9 | Very high | 30 Ų | 30 | 37.4 Ų | 37.4 | 13% | 0.132 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.5 | -48.1 | 177.7 | 173.3 | -91.1 | 0 | 0 | 0 | 111.5 | L336 V341 F420 M497 L498 K503 N504 | L336-F500 HydrophobicContact CD1-CE1 4.31Å; V341-F500 HydrophobicContact CG2-CD1 4.32Å; V341-F500 HydrophobicContact CG2-CE1 4.39Å; F420-F500 HydrophobicContact CD1-CB 4.3Å; F420-F500 HydrophobicContact CD1-CD1 4.26Å; F420-F500 AromaticContact CD1-CD2 3.94Å; F420-F500 HydrophobicContact CD1-CD2 3.94Å; F420-F500 HydrophobicContact CD1-CE2 4.33Å; F420-F500 AromaticContact CD1-CG 3.91Å; F420-F500 HydrophobicContact CD1-CG 3.91Å; M497-F500 WeakPolarHBondContact O-CB 3.05Å; M497-F500 PolarHBondContact O-N 3.31Å; L498-F500 VanDerWaalsContact C-N 3.31Å; L498-F500 PolarHBondContact O-N 3.2Å; F500-K503 PolarHBondContact O-N 3.37Å; F500-N504 WeakPolarHBondContact CD2-ND2 3.43Å; F500-N504 VanDerWaalsContact CE2-ND2 3.31Å; F500-N504 WeakPolarHBondContact CE2-ND2 3.42Å; F500-N504 WeakPolarHBondContact CZ-ND2 3.32Å; F500-N504 PolarHBondContact O-N 2.81Å; F500-N504 VanDerWaalsContact O-N 3.09Å; F500-N504 PolarHBondContact O-ND2 3.48Å |
| 501 | I | 94.9 | Very high | 92.7 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59 | -52.1 | 176.9 | -68.3 | 163.5 | 0 | 0 | 0 | 110.2 | L336 V341 M497 L498 K503 N504 L505 L538 L542 | L336-I501 HydrophobicContact CD2-CB 4.49Å; L336-I501 HydrophobicContact CD2-CG1 4.49Å; L336-I501 HydrophobicContact CD2-CG2 4.36Å; V341-I501 HydrophobicContact CG2-CD1 4.21Å; V341-I501 HydrophobicContact CG2-CG1 4.09Å; M497-I501 WeakPolarHBondContact O-CG1 3.29Å; M497-I501 PolarHBondContact O-N 3.43Å; L498-I501 PolarHBondContact O-N 3.04Å; I501-K503 VanDerWaalsContact C-N 3.28Å; I501-K503 PolarHBondContact O-N 2.92Å; I501-N504 PolarHBondContact O-N 3.06Å; I501-L505 HydrophobicContact CG2-CD1 3.63Å; I501-L505 HydrophobicContact CG2-CG 4.35Å; I501-L505 WeakPolarHBondContact O-CB 3.44Å; I501-L505 WeakPolarHBondContact O-CG 3.36Å; I501-L505 PolarHBondContact O-N 3.21Å; I501-L538 HydrophobicContact CG2-CD1 4.22Å; I501-L538 HydrophobicContact CG2-CD2 4.08Å; I501-L542 HydrophobicContact CD1-CB 4.28Å; I501-L542 HydrophobicContact CD1-CD1 3.98Å; I501-L542 HydrophobicContact CD1-CD2 4.16Å; I501-L542 HydrophobicContact CD1-CG 4.37Å |
| 502 | K | 94.4 | Very high | 92.4 | Very high | 9 Ų | 9 | 37.4 Ų | 37.4 | 4% | 0.039 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.3 | -35 | -179.2 | -75 | -177.3 | 59 | 167.9 | 0 | 113.3 | Y225 L498 A506 E535 L538 | Y225-K502 HydrophobicContact CD1-CB 3.82Å; Y225-K502 HydrophobicContact CE1-CB 4.2Å; L498-K502 HydrophobicContact CD1-CD 4.22Å; L498-K502 HydrophobicContact CD1-CG 4.15Å; L498-K502 HydrophobicContact CG-CD 4.07Å; L498-K502 HydrophobicContact CG-CG 4.38Å; L498-K502 WeakPolarHBondContact O-CB 3.5Å; L498-K502 WeakPolarHBondContact O-CG 3.49Å; L498-K502 PolarHBondContact O-N 3.1Å; K502-A506 PolarHBondContact O-N 2.81Å; K502-E535 HydrophobicContact CD-CG 4.11Å; K502-E535 WeakPolarHBondContact CD-OE1 3.38Å; K502-E535 IonicContact NZ-OE1 3.93Å; K502-E535 PolarHBondContact NZ-OE1 3.4Å; K502-E535 IonicContact NZ-OE2 2.88Å; K502-E535 PolarHBondContact NZ-OE2 3.31Å; K502-L538 HydrophobicContact CG-CD1 3.71Å |
| 503 | K | 94.3 | Very high | 92.3 | Very high | 123 Ų | 123 | 37.6 Ų | 37.6 | 54% | 0.535 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -69 | -46.7 | 176.5 | -176.9 | -177.8 | 176.1 | -174.5 | 0 | 112.1 | Y225 P499 F500 I501 A506 | Y225-K503 HydrophobicContact CD2-CB 3.87Å; Y225-K503 HydrophobicContact CD2-CG 3.94Å; Y225-K503 HydrophobicContact CE2-CB 4.5Å; Y225-K503 HydrophobicContact CE2-CG 4.46Å; Y225-K503 HydrophobicContact CG-CB 3.91Å; Y225-K503 HydrophobicContact CG-CG 4.46Å; P499-K503 VanDerWaalsContact O-CB 3.28Å; P499-K503 WeakPolarHBondContact O-CB 3.29Å; P499-K503 PolarHBondContact O-N 3.23Å; F500-K503 PolarHBondContact O-N 3.37Å; I501-K503 VanDerWaalsContact C-N 3.28Å; I501-K503 PolarHBondContact O-N 2.92Å; K503-A506 WeakPolarHBondContact O-CB 3.06Å; K503-A506 PolarHBondContact O-N 3.5Å |
| 504 | N | 93.5 | Very high | 91.9 | Very high | 81 Ų | 81 | 44 Ų | 44 | 43% | 0.433 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -75.5 | -27.5 | -176.6 | -70.7 | -79 | 0 | 0 | 0 | 113.1 | L336 F500 I501 | L336-N504 HydrophobicContact CD1-CB 4.4Å; L336-N504 HydrophobicContact CD2-CB 3.82Å; F500-N504 WeakPolarHBondContact CD2-ND2 3.43Å; F500-N504 VanDerWaalsContact CE2-ND2 3.31Å; F500-N504 WeakPolarHBondContact CE2-ND2 3.42Å; F500-N504 WeakPolarHBondContact CZ-ND2 3.32Å; F500-N504 PolarHBondContact O-N 2.81Å; F500-N504 VanDerWaalsContact O-N 3.09Å; F500-N504 PolarHBondContact O-ND2 3.48Å; I501-N504 PolarHBondContact O-N 3.06Å |
| 505 | L | 94.7 | Very high | 91.4 | Very high | 8 Ų | 8 | 44.9 Ų | 44.9 | 4% | 0.042 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -1.5 | 174 | -61.7 | 178.4 | 0 | 0 | 0 | 113.8 | P332 A333 L336 I501 S508 C509 Y534 L538 | P332-L505 HydrophobicContact CB-CD2 4.02Å; A333-L505 HydrophobicContact CB-CD1 3.79Å; L336-L505 HydrophobicContact CB-CD2 4.49Å; L336-L505 HydrophobicContact CD2-CD1 4.36Å; L336-L505 HydrophobicContact CD2-CD2 3.91Å; L336-L505 HydrophobicContact CD2-CG 3.77Å; I501-L505 HydrophobicContact CG2-CD1 3.63Å; I501-L505 HydrophobicContact CG2-CG 4.35Å; I501-L505 WeakPolarHBondContact O-CB 3.44Å; I501-L505 WeakPolarHBondContact O-CG 3.36Å; I501-L505 PolarHBondContact O-N 3.21Å; L505-S508 PolarHBondContact O-OG 3.18Å; L505-C509 VanDerWaalsContact O-CB 3.27Å; L505-C509 WeakPolarHBondContact O-CB 3.33Å; L505-C509 PolarHBondContact O-N 3.43Å; L505-Y534 WeakPolarHBondContact CB-OH 3.47Å; L505-L538 HydrophobicContact CD1-CD1 4.41Å; L505-L538 HydrophobicContact CD1-CD2 3.58Å |
| 506 | A | 92.1 | Very high | 91.3 | Very high | 5 Ų | 5 | 43.8 Ų | 43.8 | 4% | 0.041 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.7 | -49.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y225 K502 K503 K510 | Y225-A506 HydrophobicContact CE2-CB 4.49Å; Y225-A506 VanDerWaalsContact OH-CB 3.32Å; Y225-A506 WeakPolarHBondContact OH-CB 3.27Å; K502-A506 PolarHBondContact O-N 2.81Å; K503-A506 WeakPolarHBondContact O-CB 3.06Å; K503-A506 PolarHBondContact O-N 3.5Å; A506-K510 WeakPolarHBondContact O-CB 3.48Å; A506-K510 WeakPolarHBondContact O-CG 3.34Å; A506-K510 PolarHBondContact O-N 3.29Å |
| 507 | D | 89.9 | Confident | 91.2 | Very high | 148 Ų | 148 | 48.6 Ų | 48.6 | 79% | 0.791 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -74.9 | -28.1 | -172.2 | -61.8 | -24.7 | 0 | 0 | 0 | 112.7 | ||
| 508 | S | 89.1 | Confident | 90.9 | Very high | 63 Ų | 63 | 57 Ų | 57 | 44% | 0.441 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -81.4 | -48.3 | 174.5 | 50.5 | 0 | 0 | 0 | 0 | 112.4 | L505 | L505-S508 PolarHBondContact O-OG 3.18Å |
| 509 | C | 90.3 | Very high | 90.6 | Very high | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.007 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -87.8 | -33.5 | -170.7 | -61.5 | 0 | 0 | 0 | 0 | 114.2 | V329 L505 E512 L513 Y534 | V329-C509 HydrophobicContact CG2-CB 4.29Å; L505-C509 VanDerWaalsContact O-CB 3.27Å; L505-C509 WeakPolarHBondContact O-CB 3.33Å; L505-C509 PolarHBondContact O-N 3.43Å; C509-E512 WeakPolarHBondContact O-CB 3.24Å; C509-E512 PolarHBondContact O-N 3.43Å; C509-L513 WeakPolarHBondContact O-CG 3.34Å; C509-L513 PolarHBondContact O-N 3.23Å; C509-L513 VanDerWaalsContact O-N 3.1Å; C509-Y534 HydrophobicContact CB-CE2 3.77Å |
| 510 | K | 89.6 | Confident | 90.6 | Very high | 65 Ų | 65 | 58.8 Ų | 58.8 | 28% | 0.283 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -55.9 | -43.6 | -177.7 | -76.3 | -167.8 | 178.8 | -169.5 | 0 | 113.9 | D221 Y225 A506 E512 L513 Q514 | D221-K510 IonicContact OD1-NZ 3.77Å; D221-K510 PolarHBondContact OD1-NZ 3.27Å; Y225-K510 WeakPolarHBondContact OH-CE 3.21Å; Y225-K510 PolarHBondContact OH-NZ 3.31Å; A506-K510 WeakPolarHBondContact O-CB 3.48Å; A506-K510 WeakPolarHBondContact O-CG 3.34Å; A506-K510 PolarHBondContact O-N 3.29Å; K510-E512 PolarHBondContact O-N 3.04Å; K510-L513 PolarHBondContact O-N 3.46Å; K510-Q514 PolarHBondContact O-N 3.15Å |
| 511 | P | 89.6 | Confident | 90.5 | Very high | 81 Ų | 81 | 64.1 Ų | 64.1 | 53% | 0.526 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.4 | -32.6 | 175.9 | -23.6 | 34.8 | 0 | 0 | 0 | 113.2 | ||
| 512 | E | 88 | Confident | 90.3 | Very high | 77 Ų | 77 | 69.6 Ų | 69.6 | 36% | 0.36 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -78.2 | -26 | -179.1 | -60 | -164.2 | 123.9 | 0 | 0 | 113.9 | K328 C509 K510 | K328-E512 HydrophobicContact CD-CB 3.76Å; K328-E512 HydrophobicContact CD-CG 4.4Å; K328-E512 PolarHBondContact NZ-O 3.19Å; C509-E512 WeakPolarHBondContact O-CB 3.24Å; C509-E512 PolarHBondContact O-N 3.43Å; K510-E512 PolarHBondContact O-N 3.04Å |
| 513 | L | 90.4 | Very high | 90.1 | Very high | 4 Ų | 4 | 74.1 Ų | 74.1 | 2% | 0.021 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -76.3 | -37.5 | 177.6 | -67.1 | 176 | 0 | 0 | 0 | 112.2 | I325 C509 K510 G515 L516 V530 Y534 | I325-L513 HydrophobicContact CB-CD2 4.49Å; I325-L513 HydrophobicContact CD1-CD2 4.38Å; I325-L513 HydrophobicContact CG1-CD2 4Å; I325-L513 HydrophobicContact CG2-CD2 3.79Å; C509-L513 WeakPolarHBondContact O-CG 3.34Å; C509-L513 PolarHBondContact O-N 3.23Å; C509-L513 VanDerWaalsContact O-N 3.1Å; K510-L513 PolarHBondContact O-N 3.46Å; L513-G515 PolarHBondContact O-N 3.11Å; L513-L516 HydrophobicContact CD2-CD1 4.47Å; L513-L516 WeakPolarHBondContact O-CB 3.49Å; L513-L516 PolarHBondContact O-N 3.22Å; L513-V530 HydrophobicContact CB-CG1 3.8Å; L513-V530 HydrophobicContact CD2-CG1 3.81Å; L513-V530 HydrophobicContact CG-CG1 4.25Å; L513-Y534 HydrophobicContact CD1-CD1 3.87Å; L513-Y534 HydrophobicContact CD1-CD2 3.78Å; L513-Y534 HydrophobicContact CD1-CE1 4.2Å; L513-Y534 HydrophobicContact CD1-CE2 4.11Å; L513-Y534 HydrophobicContact CD1-CG 3.63Å; L513-Y534 HydrophobicContact CD2-CD2 4.07Å; L513-Y534 HydrophobicContact CD2-CG 4.3Å; L513-Y534 HydrophobicContact CG-CD2 4.45Å |
| 514 | Q | 86.4 | Confident | 90.1 | Very high | 135 Ų | 135 | 69.6 Ų | 69.6 | 63% | 0.631 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -54.3 | -38.4 | -178.6 | -73.3 | 173.6 | -3.2 | 0 | 0 | 113.2 | K510 L516 | K510-Q514 PolarHBondContact O-N 3.15Å; Q514-L516 PolarHBondContact O-N 2.99Å |
| 515 | G | 83.4 | Confident | 90 | Very high | 42 Ų | 42 | 67.3 Ų | 67.3 | 43% | 0.433 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -10.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | L513 | L513-G515 PolarHBondContact O-N 3.11Š|
| 516 | L | 90.2 | Very high | 89.8 | Confident | 13 Ų | 13 | 70 Ų | 70 | 7% | 0.068 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -18.3 | -175.9 | -61.9 | 177.9 | 0 | 0 | 0 | 113.7 | L321 K324 I325 L513 Q514 Q518 T519 | L321-L516 HydrophobicContact CD1-CB 3.94Å; K324-L516 HydrophobicContact CB-CD2 4.2Å; I325-L516 HydrophobicContact CB-CD1 4.48Å; I325-L516 HydrophobicContact CG1-CD1 3.6Å; L513-L516 HydrophobicContact CD2-CD1 4.47Å; L513-L516 WeakPolarHBondContact O-CB 3.49Å; L513-L516 PolarHBondContact O-N 3.22Å; Q514-L516 PolarHBondContact O-N 2.99Å; L516-Q518 PolarHBondContact O-N 2.79Å; L516-T519 HydrophobicContact CD2-CG2 4.4Å; L516-T519 WeakPolarHBondContact O-CB 3.29Å; L516-T519 PolarHBondContact O-N 3.18Å; L516-T519 PolarHBondContact O-OG1 3.32Å |
| 517 | E | 87.9 | Confident | 89.9 | Confident | 102 Ų | 102 | 70 Ų | 70 | 48% | 0.477 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -55.1 | -40.9 | 171.2 | -67.4 | -163.1 | 117.3 | 0 | 0 | 111.5 | T519 I520 V530 | E517-T519 PolarHBondContact O-N 3.01Å; E517-I520 WeakPolarHBondContact O-CB 3.41Å; E517-I520 PolarHBondContact O-N 2.85Å; E517-V530 HydrophobicContact CB-CG2 4.44Å; E517-V530 HydrophobicContact CG-CG2 3.72Å |
| 518 | Q | 87.7 | Confident | 90.2 | Very high | 175 Ų | 175 | 63 Ų | 63 | 82% | 0.818 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -63.8 | -8.9 | 177.7 | -58 | -179.4 | 15.2 | 0 | 0 | 113.8 | L516 | L516-Q518 PolarHBondContact O-N 2.79Š|
| 519 | T | 89.8 | Confident | 90.5 | Very high | 51 Ų | 51 | 61.3 Ų | 61.3 | 31% | 0.313 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -93.2 | -2.3 | 175.5 | 75.7 | 0 | 0 | 0 | 0 | 113.6 | K324 L516 E517 | K324-T519 HydrophobicContact CD-CG2 4.44Å; L516-T519 HydrophobicContact CD2-CG2 4.4Å; L516-T519 WeakPolarHBondContact O-CB 3.29Å; L516-T519 PolarHBondContact O-N 3.18Å; L516-T519 PolarHBondContact O-OG1 3.32Å; E517-T519 PolarHBondContact O-N 3.01Å |
| 520 | I | 92.4 | Very high | 90.7 | Very high | 20 Ų | 20 | 61.3 Ų | 61.3 | 10% | 0.103 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -93.2 | 132 | 173.7 | -50.7 | 170.3 | 0 | 0 | 0 | 108.3 | T317 L321 E517 A525 I528 V530 | T317-I520 HydrophobicContact CG2-CG2 4.32Å; L321-I520 HydrophobicContact CD2-CD1 3.87Å; L321-I520 HydrophobicContact CD2-CG1 4.06Å; E517-I520 WeakPolarHBondContact O-CB 3.41Å; E517-I520 PolarHBondContact O-N 2.85Å; I520-A525 HydrophobicContact CG2-CB 4.35Å; I520-I528 HydrophobicContact CD1-CB 4.24Å; I520-I528 HydrophobicContact CD1-CG2 3.84Å; I520-I528 HydrophobicContact CG1-CG2 4.34Å; I520-I528 HydrophobicContact CG2-CB 4.16Å; I520-I528 HydrophobicContact CG2-CD1 4.15Å; I520-V530 HydrophobicContact CD1-CG2 4.01Å |
| 521 | Y | 91.8 | Very high | 91 | Very high | 143 Ų | 143 | 60.7 Ų | 60.7 | 56% | 0.561 | 32% | 0.319 | S | S | * | . | trans | -61.7 | 138.6 | 172.6 | -60.7 | -76.8 | 0 | 0 | 0 | 110.8 | T317 D523 Y524 A525 | T317-Y521 HydrophobicContact CG2-CD2 3.97Å; T317-Y521 HydrophobicContact CG2-CE2 4.38Å; Y521-D523 PolarHBondContact O-N 3.05Å; Y521-D523 VanDerWaalsContact O-N 3.07Å; Y521-Y524 AromaticContact CD2-CD2 3.92Å; Y521-Y524 HydrophobicContact CD2-CD2 3.92Å; Y521-Y524 HydrophobicContact CD2-CE2 4.08Å; Y521-Y524 HydrophobicContact CG-CD2 4.36Å; Y521-Y524 CarbonylContact O-C 3.54Å; Y521-Y524 PolarHBondContact O-N 2.84Å; Y521-A525 PolarHBondContact O-N 3.33Å | ||
| 522 | T | 90 | Very high | 91.3 | Very high | 115 Ų | 115 | 58.3 Ų | 58.3 | 71% | 0.706 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -48 | -41.3 | -178.1 | 41.5 | 0 | 0 | 0 | 0 | 113 | Y524 A525 | T522-Y524 VanDerWaalsContact C-N 3.27Å; T522-Y524 PolarHBondContact O-N 3.42Å; T522-A525 VanDerWaalsContact O-CB 3.29Å; T522-A525 WeakPolarHBondContact O-CB 3.44Å; T522-A525 PolarHBondContact O-N 3.39Å |
| 523 | D | 90.8 | Very high | 91.7 | Very high | 104 Ų | 104 | 55.1 Ų | 55.1 | 56% | 0.556 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -77.1 | -21.6 | -170.2 | -48.6 | -6.8 | 0 | 0 | 0 | 111 | Y521 | Y521-D523 PolarHBondContact O-N 3.05Å; Y521-D523 VanDerWaalsContact O-N 3.07Å |
| 524 | Y | 93.9 | Very high | 92 | Very high | 29 Ų | 29 | 55.5 Ų | 55.5 | 11% | 0.114 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -101.3 | -5.4 | 175.7 | -51.5 | -26.6 | 0 | 0 | 0 | 112.9 | D310 Q313 I314 Y521 T522 N526 F527 I528 | D310-Y524 HydrophobicContact CB-CE1 3.81Å; D310-Y524 PolarHBondContact OD2-OH 3.45Å; Q313-Y524 HydrophobicContact CB-CE2 3.9Å; Q313-Y524 VanDerWaalsContact CB-OH 3.31Å; Q313-Y524 WeakPolarHBondContact CB-OH 3.46Å; I314-Y524 HydrophobicContact CD1-CD1 4.15Å; I314-Y524 HydrophobicContact CD1-CE1 4.47Å; I314-Y524 HydrophobicContact CG1-CD1 3.47Å; I314-Y524 VanDerWaalsContact CG1-CD1 3.47Å; I314-Y524 HydrophobicContact CG1-CD2 4.17Å; I314-Y524 HydrophobicContact CG1-CE1 3.86Å; I314-Y524 HydrophobicContact CG1-CG 3.67Å; Y521-Y524 AromaticContact CD2-CD2 3.92Å; Y521-Y524 HydrophobicContact CD2-CD2 3.92Å; Y521-Y524 HydrophobicContact CD2-CE2 4.08Å; Y521-Y524 HydrophobicContact CG-CD2 4.36Å; Y521-Y524 CarbonylContact O-C 3.54Å; Y521-Y524 PolarHBondContact O-N 2.84Å; T522-Y524 VanDerWaalsContact C-N 3.27Å; T522-Y524 PolarHBondContact O-N 3.42Å; Y524-N526 PolarHBondContact O-N 3.32Å; Y524-F527 PolarHBondContact O-N 2.86Å; Y524-I528 PolarHBondContact O-N 2.97Å |
| 525 | A | 92.1 | Very high | 92.4 | Very high | 33 Ų | 33 | 49.7 Ų | 49.7 | 27% | 0.273 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -13.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | K34 I520 Y521 T522 | K34-A525 WeakPolarHBondContact CE-O 3.39Å; K34-A525 PolarHBondContact NZ-O 3.15Å; I520-A525 HydrophobicContact CG2-CB 4.35Å; Y521-A525 PolarHBondContact O-N 3.33Å; T522-A525 VanDerWaalsContact O-CB 3.29Å; T522-A525 WeakPolarHBondContact O-CB 3.44Å; T522-A525 PolarHBondContact O-N 3.39Å |
| 526 | N | 90.9 | Very high | 93 | Very high | 65 Ų | 65 | 51.4 Ų | 51.4 | 35% | 0.348 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -32.7 | 171.7 | -65.8 | -50.2 | 0 | 0 | 0 | 112.6 | S37 Q303 Y524 | S37-N526 WeakPolarHBondContact CB-O 3.28Å; Q303-N526 PolarHBondContact NE2-ND2 3.23Å; Y524-N526 PolarHBondContact O-N 3.32Å |
| 527 | F | 94 | Very high | 93.3 | Very high | 4 Ų | 4 | 50.8 Ų | 50.8 | 2% | 0.018 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -16.5 | -172.4 | -41.4 | -55.2 | 0 | 0 | 0 | 113.3 | F41 Q303 L306 M307 I314 Y524 | F41-F527 HydrophobicContact CB-CB 4.08Å; F41-F527 HydrophobicContact CB-CD1 4.46Å; F41-F527 HydrophobicContact CD2-CB 3.97Å; F41-F527 HydrophobicContact CD2-CG 4.18Å; F41-F527 HydrophobicContact CG-CB 3.91Å; Q303-F527 HydrophobicContact CB-CE1 4.01Å; Q303-F527 HydrophobicContact CB-CZ 3.99Å; Q303-F527 HydrophobicContact CG-CZ 4.37Å; L306-F527 HydrophobicContact CD2-CE2 4.03Å; L306-F527 HydrophobicContact CD2-CZ 4.29Å; L306-F527 HydrophobicContact CG-CE2 4.4Å; M307-F527 HydrophobicContact CE-CD1 4.32Å; M307-F527 HydrophobicContact CE-CE1 4.41Å; M307-F527 HydrophobicContact CG-CD1 3.79Å; M307-F527 HydrophobicContact CG-CE1 3.3Å; M307-F527 HydrophobicContact CG-CE2 4.16Å; M307-F527 HydrophobicContact CG-CG 4.42Å; M307-F527 HydrophobicContact CG-CZ 3.52Å; M307-F527 HydrophobicContact SD-CD1 4.11Å; M307-F527 HydrophobicContact SD-CE1 3.62Å; M307-F527 HydrophobicContact SD-CZ 4.33Å; I314-F527 HydrophobicContact CD1-CD2 3.63Å; I314-F527 HydrophobicContact CD1-CE2 4.01Å; I314-F527 HydrophobicContact CD1-CG 4.45Å; I314-F527 HydrophobicContact CG1-CD2 4.14Å; I314-F527 HydrophobicContact CG2-CB 3.97Å; I314-F527 HydrophobicContact CG2-CD2 4.37Å; Y524-F527 PolarHBondContact O-N 2.86Å |
| 528 | I | 95.3 | Very high | 93.7 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | trans | -117.2 | 133.1 | -177.6 | -54.1 | 174.2 | 0 | 0 | 0 | 109.6 | K34 I314 T317 R318 L321 I520 Y524 | K34-I528 WeakPolarHBondContact CE-O 3.47Å; K34-I528 PolarHBondContact NZ-O 3.47Å; I314-I528 HydrophobicContact CG2-CD1 4.04Å; I314-I528 HydrophobicContact CG2-CG1 4.02Å; T317-I528 HydrophobicContact CG2-CD1 3.7Å; R318-I528 HydrophobicContact CB-CD1 4.19Å; R318-I528 HydrophobicContact CB-CG1 4.41Å; L321-I528 HydrophobicContact CD2-CG2 3.45Å; L321-I528 VanDerWaalsContact CD2-CG2 3.45Å; I520-I528 HydrophobicContact CD1-CB 4.24Å; I520-I528 HydrophobicContact CD1-CG2 3.84Å; I520-I528 HydrophobicContact CG1-CG2 4.34Å; I520-I528 HydrophobicContact CG2-CB 4.16Å; I520-I528 HydrophobicContact CG2-CD1 4.15Å; Y524-I528 PolarHBondContact O-N 2.97Å | ||
| 529 | H | 95.4 | Very high | 94.2 | Very high | 27 Ų | 27 | 40.2 Ų | 40.2 | 13% | 0.125 | 21% | 0.21 | C | C | . | . | trans | -133.1 | 126 | -179.8 | -166.2 | -112.8 | 0 | 0 | 0 | 109.7 | K34 Q35 V38 E531 N532 V533 | K34-H529 VanDerWaalsContact CG-CD2 3.45Å; K34-H529 WeakPolarHBondContact CG-CD2 3.32Å; Q35-H529 PolarHBondContact NE2-CE1 2.78Å; Q35-H529 PolarHBondContact NE2-ND1 3.03Å; Q35-H529 VanDerWaalsContact NE2-ND1 3.16Å; V38-H529 HydrophobicContact CG2-CB 4Å; H529-E531 IonicContact CD2-OE2 3.73Å; H529-E531 IonicContact CE1-OE2 2.68Å; H529-E531 PolarHBondContact CE1-OE2 3.01Å; H529-E531 IonicContact CG-OE2 3.91Å; H529-E531 IonicContact ND1-OE2 2.75Å; H529-E531 PolarHBondContact ND1-OE2 2.92Å; H529-E531 IonicContact NE2-OE2 2.77Å; H529-E531 PolarHBondContact O-N 3.23Å; H529-N532 HydrophobicContact CB-CB 4.09Å; H529-N532 PolarHBondContact ND1-OD1 3.2Å; H529-N532 PolarHBondContact O-N 2.95Å; H529-V533 PolarHBondContact O-N 2.84Å | ||
| 530 | V | 95.9 | Very high | 94.5 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.6 | -43.8 | -170.8 | 174.5 | 0 | 0 | 0 | 0 | 110.9 | L321 I325 L513 E517 I520 N532 V533 Y534 | L321-V530 HydrophobicContact CD1-CG2 4.36Å; L321-V530 HydrophobicContact CD2-CG2 4.19Å; I325-V530 HydrophobicContact CD1-CG1 3.98Å; L513-V530 HydrophobicContact CB-CG1 3.8Å; L513-V530 HydrophobicContact CD2-CG1 3.81Å; L513-V530 HydrophobicContact CG-CG1 4.25Å; E517-V530 HydrophobicContact CB-CG2 4.44Å; E517-V530 HydrophobicContact CG-CG2 3.72Å; I520-V530 HydrophobicContact CD1-CG2 4.01Å; V530-N532 VanDerWaalsContact C-N 3.27Å; V530-N532 PolarHBondContact O-N 3.49Å; V530-V533 PolarHBondContact O-N 3.26Å; V530-Y534 WeakPolarHBondContact O-CB 3.15Å; V530-Y534 PolarHBondContact O-N 3.09Å |
| 531 | E | 94.6 | Very high | 94.6 | Very high | 51 Ų | 51 | 40.7 Ų | 40.7 | 24% | 0.238 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.2 | -29.8 | -179.5 | -65.8 | 58.4 | -133.8 | 0 | 0 | 111.7 | L217 H529 E535 | L217-E531 HydrophobicContact CD2-CB 3.97Å; H529-E531 IonicContact CD2-OE2 3.73Å; H529-E531 IonicContact CE1-OE2 2.68Å; H529-E531 PolarHBondContact CE1-OE2 3.01Å; H529-E531 IonicContact CG-OE2 3.91Å; H529-E531 IonicContact ND1-OE2 2.75Å; H529-E531 PolarHBondContact ND1-OE2 2.92Å; H529-E531 IonicContact NE2-OE2 2.77Å; H529-E531 PolarHBondContact O-N 3.23Å; E531-E535 VanDerWaalsContact O-CB 3.27Å; E531-E535 WeakPolarHBondContact O-CB 3.34Å; E531-E535 PolarHBondContact O-N 3.4Å |
| 532 | N | 95.7 | Very high | 94.9 | Very high | 31 Ų | 31 | 34 Ų | 34 | 17% | 0.166 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -73 | -40.7 | 176.3 | -71.8 | 35.3 | 0 | 0 | 0 | 110.9 | Q35 H529 V530 N536 | Q35-N532 PolarHBondContact NE2-OD1 2.98Å; Q35-N532 PolarHBondContact OE1-ND2 3.31Å; Q35-N532 PolarHBondContact OE1-OD1 2.86Å; H529-N532 HydrophobicContact CB-CB 4.09Å; H529-N532 PolarHBondContact ND1-OD1 3.2Å; H529-N532 PolarHBondContact O-N 2.95Å; V530-N532 VanDerWaalsContact C-N 3.27Å; V530-N532 PolarHBondContact O-N 3.49Å; N532-N536 WeakPolarHBondContact O-CB 3.31Å; N532-N536 PolarHBondContact O-N 3.49Å |
| 533 | V | 96.6 | Very high | 95.1 | Very high | 10 Ų | 10 | 31.2 Ų | 31.2 | 6% | 0.061 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -70.4 | -43.2 | 177.1 | -178.9 | 0 | 0 | 0 | 0 | 110.3 | R318 L321 E322 I325 H529 V530 E535 N536 I537 | R318-V533 HydrophobicContact CG-CG2 4.14Å; L321-V533 HydrophobicContact CD2-CG2 4.2Å; E322-V533 HydrophobicContact CB-CG1 3.66Å; E322-V533 HydrophobicContact CG-CG1 3.82Å; I325-V533 HydrophobicContact CD1-CB 3.84Å; I325-V533 HydrophobicContact CD1-CG1 3.8Å; H529-V533 PolarHBondContact O-N 2.84Å; V530-V533 PolarHBondContact O-N 3.26Å; V533-E535 PolarHBondContact O-N 2.85Å; V533-N536 PolarHBondContact O-N 3.16Å; V533-I537 HydrophobicContact CG1-CD1 4.14Å; V533-I537 WeakPolarHBondContact O-CG1 3.2Å; V533-I537 PolarHBondContact O-N 3.46Å |
| 534 | Y | 96.4 | Very high | 95.3 | Very high | 13 Ų | 13 | 31.7 Ų | 31.7 | 5% | 0.051 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -53.4 | -50.7 | 171 | 168.9 | -112 | 0 | 0 | 0 | 112.6 | I325 V329 L505 C509 L513 V530 N536 I537 L538 | I325-Y534 HydrophobicContact CG2-CD2 4.16Å; V329-Y534 HydrophobicContact CB-CD2 4.44Å; V329-Y534 HydrophobicContact CB-CE2 4.36Å; V329-Y534 HydrophobicContact CG1-CD2 3.89Å; V329-Y534 HydrophobicContact CG1-CE2 3.57Å; V329-Y534 HydrophobicContact CG2-CD2 3.87Å; V329-Y534 HydrophobicContact CG2-CE2 3.82Å; L505-Y534 WeakPolarHBondContact CB-OH 3.47Å; C509-Y534 HydrophobicContact CB-CE2 3.77Å; L513-Y534 HydrophobicContact CD1-CD1 3.87Å; L513-Y534 HydrophobicContact CD1-CD2 3.78Å; L513-Y534 HydrophobicContact CD1-CE1 4.2Å; L513-Y534 HydrophobicContact CD1-CE2 4.11Å; L513-Y534 HydrophobicContact CD1-CG 3.63Å; L513-Y534 HydrophobicContact CD2-CD2 4.07Å; L513-Y534 HydrophobicContact CD2-CG 4.3Å; L513-Y534 HydrophobicContact CG-CD2 4.45Å; V530-Y534 WeakPolarHBondContact O-CB 3.15Å; V530-Y534 PolarHBondContact O-N 3.09Å; Y534-N536 PolarHBondContact O-N 3.39Å; Y534-I537 WeakPolarHBondContact O-CB 3.44Å; Y534-I537 PolarHBondContact O-N 2.99Å; Y534-L538 HydrophobicContact CD1-CD1 4.28Å; Y534-L538 HydrophobicContact CE1-CD1 3.7Å; Y534-L538 HydrophobicContact CE2-CD1 4Å; Y534-L538 HydrophobicContact CE2-CD2 4.47Å; Y534-L538 HydrophobicContact CE2-CG 4.24Å; Y534-L538 WeakPolarHBondContact O-CG 3.49Å; Y534-L538 PolarHBondContact O-N 3.09Å |
| 535 | E | 95.6 | Very high | 95.3 | Very high | 13 Ų | 13 | 31.5 Ų | 31.5 | 6% | 0.061 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -69.4 | -31.8 | 179.3 | -179.9 | 163.6 | -158.9 | 0 | 0 | 113.3 | K213 Q216 L498 K502 E531 V533 L538 L539 | K213-E535 IonicContact NZ-OE1 2.84Å; K213-E535 IonicContact NZ-OE2 2.89Å; K213-E535 PolarHBondContact NZ-OE2 3.1Å; Q216-E535 PolarHBondContact NE2-OE1 3.26Å; Q216-E535 PolarHBondContact OE1-OE2 3.23Å; L498-E535 HydrophobicContact CD2-CG 4.37Å; K502-E535 HydrophobicContact CD-CG 4.11Å; K502-E535 WeakPolarHBondContact CD-OE1 3.38Å; K502-E535 IonicContact NZ-OE1 3.93Å; K502-E535 PolarHBondContact NZ-OE1 3.4Å; K502-E535 IonicContact NZ-OE2 2.88Å; K502-E535 PolarHBondContact NZ-OE2 3.31Å; E531-E535 VanDerWaalsContact O-CB 3.27Å; E531-E535 WeakPolarHBondContact O-CB 3.34Å; E531-E535 PolarHBondContact O-N 3.4Å; V533-E535 PolarHBondContact O-N 2.85Å; E535-L538 PolarHBondContact O-N 3.12Å; E535-L539 VanDerWaalsContact O-CB 3.24Å; E535-L539 WeakPolarHBondContact O-CB 3.12Å; E535-L539 PolarHBondContact O-N 3.03Å |
| 536 | N | 95.9 | Very high | 95.5 | Very high | 78 Ų | 78 | 29.9 Ų | 29.9 | 42% | 0.417 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -63.4 | -42.6 | 171.8 | -167.9 | -8.2 | 0 | 0 | 0 | 110.6 | N532 V533 Y534 L539 Q540 | N532-N536 WeakPolarHBondContact O-CB 3.31Å; N532-N536 PolarHBondContact O-N 3.49Å; V533-N536 PolarHBondContact O-N 3.16Å; Y534-N536 PolarHBondContact O-N 3.39Å; N536-L539 PolarHBondContact O-N 3.39Å; N536-Q540 WeakPolarHBondContact O-CB 3.48Å; N536-Q540 WeakPolarHBondContact O-CG 3.43Å; N536-Q540 PolarHBondContact O-N 2.65Å; N536-Q540 PolarHBondContact OD1-NE2 3.03Å |
| 537 | I | 96.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.9 | -46.3 | 173.9 | -66.7 | 159.8 | 0 | 0 | 0 | 111.2 | E322 I325 R326 V533 Y534 Q540 I541 | E322-I537 HydrophobicContact CG-CD1 3.78Å; E322-I537 HydrophobicContact CG-CG1 3.86Å; I325-I537 HydrophobicContact CB-CD1 3.69Å; I325-I537 HydrophobicContact CG2-CD1 3.55Å; R326-I537 HydrophobicContact CB-CD1 4.13Å; R326-I537 HydrophobicContact CG-CG2 4.47Å; V533-I537 HydrophobicContact CG1-CD1 4.14Å; V533-I537 WeakPolarHBondContact O-CG1 3.2Å; V533-I537 PolarHBondContact O-N 3.46Å; Y534-I537 WeakPolarHBondContact O-CB 3.44Å; Y534-I537 PolarHBondContact O-N 2.99Å; I537-Q540 PolarHBondContact O-N 3.21Å; I537-I541 HydrophobicContact CG2-CD1 3.99Å; I537-I541 WeakPolarHBondContact O-CG1 3.25Å; I537-I541 PolarHBondContact O-N 3.13Å; I537-I541 VanDerWaalsContact O-N 3.08Å |
| 538 | L | 96.9 | Very high | 95.6 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.9 | -41.3 | 176.6 | -68 | -176.9 | 0 | 0 | 0 | 112.6 | V329 A333 L498 I501 K502 L505 Y534 E535 I541 L542 | V329-L538 HydrophobicContact CG1-CD2 3.83Å; A333-L538 HydrophobicContact CB-CD2 3.6Å; L498-L538 HydrophobicContact CD1-CB 3.99Å; I501-L538 HydrophobicContact CG2-CD1 4.22Å; I501-L538 HydrophobicContact CG2-CD2 4.08Å; K502-L538 HydrophobicContact CG-CD1 3.71Å; L505-L538 HydrophobicContact CD1-CD1 4.41Å; L505-L538 HydrophobicContact CD1-CD2 3.58Å; Y534-L538 HydrophobicContact CD1-CD1 4.28Å; Y534-L538 HydrophobicContact CE1-CD1 3.7Å; Y534-L538 HydrophobicContact CE2-CD1 4Å; Y534-L538 HydrophobicContact CE2-CD2 4.47Å; Y534-L538 HydrophobicContact CE2-CG 4.24Å; Y534-L538 WeakPolarHBondContact O-CG 3.49Å; Y534-L538 PolarHBondContact O-N 3.09Å; E535-L538 PolarHBondContact O-N 3.12Å; L538-I541 PolarHBondContact O-N 3.3Å; L538-L542 WeakPolarHBondContact O-CB 3.49Å; L538-L542 PolarHBondContact O-N 2.7Å |
| 539 | L | 96.3 | Very high | 95.5 | Very high | 52 Ų | 52 | 34.7 Ų | 34.7 | 27% | 0.272 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -62.9 | -45.8 | 176.5 | 177.1 | 60.3 | 0 | 0 | 0 | 110.8 | V494 L498 E535 N536 I541 L542 D543 | V494-L539 HydrophobicContact CG1-CD1 3.64Å; V494-L539 HydrophobicContact CG2-CD1 4.14Å; L498-L539 HydrophobicContact CD2-CD1 4.38Å; E535-L539 VanDerWaalsContact O-CB 3.24Å; E535-L539 WeakPolarHBondContact O-CB 3.12Å; E535-L539 PolarHBondContact O-N 3.03Å; N536-L539 PolarHBondContact O-N 3.39Å; L539-I541 VanDerWaalsContact C-N 3.34Å; L539-I541 PolarHBondContact O-N 3.15Å; L539-L542 PolarHBondContact O-N 3.03Å; L539-D543 WeakPolarHBondContact CD1-OD2 3.28Å; L539-D543 VanDerWaalsContact O-CB 3.27Å; L539-D543 WeakPolarHBondContact O-CB 3.29Å; L539-D543 PolarHBondContact O-N 3.05Å |
| 540 | Q | 96.2 | Very high | 95.3 | Very high | 73 Ų | 73 | 33.6 Ų | 33.6 | 34% | 0.341 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -60.1 | -40.3 | 176.4 | -70.9 | 167.9 | 25 | 0 | 0 | 113 | N536 I537 K544 | N536-Q540 WeakPolarHBondContact O-CB 3.48Å; N536-Q540 WeakPolarHBondContact O-CG 3.43Å; N536-Q540 PolarHBondContact O-N 2.65Å; N536-Q540 PolarHBondContact OD1-NE2 3.03Å; I537-Q540 PolarHBondContact O-N 3.21Å; Q540-K544 WeakPolarHBondContact O-CB 3.47Å; Q540-K544 PolarHBondContact O-N 3.41Å |
| 541 | I | 95.8 | Very high | 94.9 | Very high | 9 Ų | 9 | 40 Ų | 40 | 5% | 0.046 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.6 | -43.8 | 176.5 | -68.9 | 166.7 | 0 | 0 | 0 | 110.4 | A333 E334 I537 L538 L539 | A333-I541 HydrophobicContact CB-CD1 3.85Å; E334-I541 HydrophobicContact CG-CD1 4.37Å; E334-I541 HydrophobicContact CG-CG1 4.46Å; E334-I541 HydrophobicContact CG-CG2 3.87Å; I537-I541 HydrophobicContact CG2-CD1 3.99Å; I537-I541 WeakPolarHBondContact O-CG1 3.25Å; I537-I541 PolarHBondContact O-N 3.13Å; I537-I541 VanDerWaalsContact O-N 3.08Å; L538-I541 PolarHBondContact O-N 3.3Å; L539-I541 VanDerWaalsContact C-N 3.34Å; L539-I541 PolarHBondContact O-N 3.15Å |
| 542 | L | 96.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.4 | -46.1 | 177.3 | 178.3 | 60.8 | 0 | 0 | 0 | 112.4 | V341 V494 M497 L498 I501 L538 L539 K544 E545 V546 | V341-L542 HydrophobicContact CG1-CD1 4.1Å; V494-L542 HydrophobicContact CB-CD2 4.42Å; V494-L542 HydrophobicContact CG1-CD2 4.43Å; V494-L542 HydrophobicContact CG2-CD2 4.16Å; V494-L542 HydrophobicContact CG2-CG 4.48Å; M497-L542 HydrophobicContact CB-CD1 3.86Å; M497-L542 HydrophobicContact CB-CD2 4Å; L498-L542 HydrophobicContact CB-CD2 3.8Å; L498-L542 HydrophobicContact CD1-CD2 4.49Å; I501-L542 HydrophobicContact CD1-CB 4.28Å; I501-L542 HydrophobicContact CD1-CD1 3.98Å; I501-L542 HydrophobicContact CD1-CD2 4.16Å; I501-L542 HydrophobicContact CD1-CG 4.37Å; L538-L542 WeakPolarHBondContact O-CB 3.49Å; L538-L542 PolarHBondContact O-N 2.7Å; L539-L542 PolarHBondContact O-N 3.03Å; L542-K544 VanDerWaalsContact C-N 3.26Å; L542-K544 PolarHBondContact O-N 2.65Å; L542-E545 PolarHBondContact O-N 3.2Å; L542-V546 HydrophobicContact CD1-CG2 3.73Å; L542-V546 HydrophobicContact CG-CG2 3.86Å; L542-V546 WeakPolarHBondContact O-CB 3.07Å; L542-V546 WeakPolarHBondContact O-CG2 3.22Å; L542-V546 PolarHBondContact O-N 3.22Å |
| 543 | D | 95.3 | Very high | 94.3 | Very high | 57 Ų | 57 | 40.9 Ų | 40.9 | 31% | 0.305 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62.1 | -32.1 | -177.5 | -85.5 | -15.9 | 0 | 0 | 0 | 112.6 | V494 L539 S547 | V494-D543 VanDerWaalsContact CG2-OD1 3.26Å; V494-D543 WeakPolarHBondContact CG2-OD1 3.41Å; L539-D543 WeakPolarHBondContact CD1-OD2 3.28Å; L539-D543 VanDerWaalsContact O-CB 3.27Å; L539-D543 WeakPolarHBondContact O-CB 3.29Å; L539-D543 PolarHBondContact O-N 3.05Å; D543-S547 WeakPolarHBondContact O-CA 3.27Å; D543-S547 WeakPolarHBondContact O-CB 3.47Å; D543-S547 PolarHBondContact O-N 2.93Å; D543-S547 PolarHBondContact O-OG 2.8Å |
| 544 | K | 94.3 | Very high | 93.7 | Very high | 114 Ų | 114 | 40.7 Ų | 40.7 | 50% | 0.496 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -56.8 | -48.4 | 171.4 | 173.8 | -172 | 164.8 | -167.6 | 0 | 111.2 | E334 Q540 L542 K548 | E334-K544 IonicContact OE1-NZ 3.89Å; E334-K544 PolarHBondContact OE1-NZ 2.98Å; E334-K544 VanDerWaalsContact OE1-NZ 3.12Å; Q540-K544 WeakPolarHBondContact O-CB 3.47Å; Q540-K544 PolarHBondContact O-N 3.41Å; L542-K544 VanDerWaalsContact C-N 3.26Å; L542-K544 PolarHBondContact O-N 2.65Å; K544-K548 WeakPolarHBondContact O-CB 3.37Å; K544-K548 PolarHBondContact O-N 2.79Å |
| 545 | E | 95.3 | Very high | 92.9 | Very high | 25 Ų | 25 | 43.6 Ų | 43.6 | 12% | 0.117 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -80.1 | -40.8 | -178.6 | -58.8 | -53.5 | 130.1 | 0 | 0 | 112.4 | Q342 L345 L542 S547 K548 E549 | Q342-E545 HydrophobicContact CG-CG 4.31Å; Q342-E545 PolarHBondContact NE2-OE2 3.45Å; L345-E545 HydrophobicContact CD2-CB 4.12Å; L345-E545 WeakPolarHBondContact CD2-O 3.5Å; L542-E545 PolarHBondContact O-N 3.2Å; E545-S547 VanDerWaalsContact C-N 3.33Å; E545-S547 PolarHBondContact O-N 2.84Å; E545-K548 WeakPolarHBondContact O-CB 3.32Å; E545-K548 PolarHBondContact O-N 3.4Å; E545-K548 WeakPolarHBondContact OE2-CD 3.2Å; E545-K548 IonicContact OE2-NZ 2.69Å; E545-K548 PolarHBondContact OE2-NZ 2.65Å; E545-E549 PolarHBondContact O-N 3.13Å |
| 546 | V | 95.9 | Very high | 92 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -56.8 | -46.2 | 172.1 | 167.9 | 0 | 0 | 0 | 0 | 110.8 | L345 Q490 L493 V494 L542 K548 E549 V550 | L345-V546 HydrophobicContact CD1-CG2 4.1Å; Q490-V546 HydrophobicContact CB-CG1 4.01Å; Q490-V546 HydrophobicContact CG-CG1 4Å; L493-V546 HydrophobicContact CB-CG1 4.08Å; L493-V546 HydrophobicContact CB-CG2 4Å; L493-V546 HydrophobicContact CD1-CG1 4.08Å; V494-V546 HydrophobicContact CG2-CG2 4.48Å; L542-V546 HydrophobicContact CD1-CG2 3.73Å; L542-V546 HydrophobicContact CG-CG2 3.86Å; L542-V546 WeakPolarHBondContact O-CB 3.07Å; L542-V546 WeakPolarHBondContact O-CG2 3.22Å; L542-V546 PolarHBondContact O-N 3.22Å; V546-K548 VanDerWaalsContact C-N 3.33Å; V546-K548 PolarHBondContact O-N 3.46Å; V546-E549 PolarHBondContact O-N 3.49Å; V546-V550 WeakPolarHBondContact O-CB 3.33Å; V546-V550 WeakPolarHBondContact O-CG2 3.48Å; V546-V550 PolarHBondContact O-N 3.12Å |
| 547 | S | 93.3 | Very high | 90.9 | Very high | 24 Ų | 24 | 49.5 Ų | 49.5 | 17% | 0.168 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69.6 | -29.3 | 179 | -62.4 | 0 | 0 | 0 | 0 | 112.9 | Q490 D543 E545 K551 | Q490-S547 PolarHBondContact NE2-OG 3.5Å; D543-S547 WeakPolarHBondContact O-CA 3.27Å; D543-S547 WeakPolarHBondContact O-CB 3.47Å; D543-S547 PolarHBondContact O-N 2.93Å; D543-S547 PolarHBondContact O-OG 2.8Å; E545-S547 VanDerWaalsContact C-N 3.33Å; E545-S547 PolarHBondContact O-N 2.84Å; S547-K551 VanDerWaalsContact O-CB 3.23Å; S547-K551 WeakPolarHBondContact O-CB 3.47Å; S547-K551 WeakPolarHBondContact O-CD 3.25Å; S547-K551 WeakPolarHBondContact O-CG 3.46Å; S547-K551 PolarHBondContact O-N 2.6Å; S547-K551 VanDerWaalsContact O-N 3.1Å |
| 548 | K | 92.6 | Very high | 89.8 | Confident | 110 Ų | 110 | 52.2 Ų | 52.2 | 48% | 0.478 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67.4 | -51.2 | 173.7 | 169.4 | -166 | 171.6 | -156.1 | 0 | 110.5 | K544 E545 V546 K551 E552 | K544-K548 WeakPolarHBondContact O-CB 3.37Å; K544-K548 PolarHBondContact O-N 2.79Å; E545-K548 WeakPolarHBondContact O-CB 3.32Å; E545-K548 PolarHBondContact O-N 3.4Å; E545-K548 WeakPolarHBondContact OE2-CD 3.2Å; E545-K548 IonicContact OE2-NZ 2.69Å; E545-K548 PolarHBondContact OE2-NZ 2.65Å; V546-K548 VanDerWaalsContact C-N 3.33Å; V546-K548 PolarHBondContact O-N 3.46Å; K548-K551 PolarHBondContact O-N 3.48Å; K548-E552 PolarHBondContact O-N 3.45Å |
| 549 | E | 93.8 | Very high | 88.7 | Confident | 37 Ų | 37 | 55.4 Ų | 55.4 | 17% | 0.173 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.2 | -47 | 178.6 | -171.6 | 65.3 | -138.3 | 0 | 0 | 112 | L345 G346 L349 E545 V546 K551 E552 A553 | L345-E549 HydrophobicContact CB-CG 4.46Å; L345-E549 HydrophobicContact CD2-CB 3.83Å; L345-E549 HydrophobicContact CD2-CG 4.37Å; L345-E549 HydrophobicContact CG-CB 4.04Å; L345-E549 HydrophobicContact CG-CG 4.08Å; G346-E549 VanDerWaalsContact CA-CD 3.44Å; G346-E549 WeakPolarHBondContact CA-OE1 3.48Å; L349-E549 HydrophobicContact CD2-CG 3.79Å; E545-E549 PolarHBondContact O-N 3.13Å; V546-E549 PolarHBondContact O-N 3.49Å; E549-K551 VanDerWaalsContact C-N 3.3Å; E549-K551 PolarHBondContact O-N 3.33Å; E549-E552 PolarHBondContact O-N 3.5Å; E549-E552 VanDerWaalsContact O-N 3.13Å; E549-A553 PolarHBondContact O-N 3.48Å |
| 550 | V | 90.6 | Very high | 87.5 | Confident | 5 Ų | 5 | 57 Ų | 57 | 3% | 0.03 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.8 | -32.9 | 178 | 173.6 | 0 | 0 | 0 | 0 | 111.9 | L349 K486 F489 Q490 L493 V546 A554 | L349-V550 HydrophobicContact CD1-CG2 4.12Å; L349-V550 HydrophobicContact CD2-CG2 3.93Å; K486-V550 HydrophobicContact CB-CG1 4.34Å; K486-V550 HydrophobicContact CG-CG1 4.19Å; F489-V550 HydrophobicContact CB-CG2 4.31Å; Q490-V550 HydrophobicContact CG-CB 4.39Å; Q490-V550 HydrophobicContact CG-CG1 4.32Å; Q490-V550 HydrophobicContact CG-CG2 4.09Å; L493-V550 HydrophobicContact CD1-CG2 4.2Å; V546-V550 WeakPolarHBondContact O-CB 3.33Å; V546-V550 WeakPolarHBondContact O-CG2 3.48Å; V546-V550 PolarHBondContact O-N 3.12Å; V550-A554 VanDerWaalsContact O-CB 3.28Å; V550-A554 WeakPolarHBondContact O-CB 3.47Å; V550-A554 PolarHBondContact O-N 3.01Å; V550-A554 VanDerWaalsContact O-N 3.07Å |
| 551 | K | 88.9 | Confident | 86.3 | Confident | 135 Ų | 135 | 53.5 Ų | 53.5 | 59% | 0.587 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -70.6 | -37.6 | 172.2 | -76.1 | 167.4 | -169 | 170.9 | 0 | 112.1 | S547 K548 E549 A554 S555 | S547-K551 VanDerWaalsContact O-CB 3.23Å; S547-K551 WeakPolarHBondContact O-CB 3.47Å; S547-K551 WeakPolarHBondContact O-CD 3.25Å; S547-K551 WeakPolarHBondContact O-CG 3.46Å; S547-K551 PolarHBondContact O-N 2.6Å; S547-K551 VanDerWaalsContact O-N 3.1Å; K548-K551 PolarHBondContact O-N 3.48Å; E549-K551 VanDerWaalsContact C-N 3.3Å; E549-K551 PolarHBondContact O-N 3.33Å; K551-A554 PolarHBondContact O-N 3.27Å; K551-S555 WeakPolarHBondContact O-CB 3.34Å; K551-S555 PolarHBondContact O-N 3.41Å |
| 552 | E | 89.4 | Confident | 84.6 | Confident | 101 Ų | 101 | 57.7 Ų | 57.7 | 47% | 0.472 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.2 | -50.3 | 175.5 | -173 | 164.5 | 155.1 | 0 | 0 | 111.1 | K548 E549 A554 S555 L556 | K548-E552 PolarHBondContact O-N 3.45Å; E549-E552 PolarHBondContact O-N 3.5Å; E549-E552 VanDerWaalsContact O-N 3.13Å; E552-A554 VanDerWaalsContact C-N 3.3Å; E552-A554 PolarHBondContact O-N 3.02Å; E552-S555 WeakPolarHBondContact O-CA 3.42Å; E552-S555 WeakPolarHBondContact O-CB 3.36Å; E552-S555 PolarHBondContact O-N 3.33Å; E552-S555 PolarHBondContact O-OG 3.06Å; E552-L556 HydrophobicContact CG-CD1 4.25Å; E552-L556 WeakPolarHBondContact O-CG 3.3Å; E552-L556 PolarHBondContact O-N 3.39Å |
| 553 | A | 86.6 | Confident | 82.4 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -56 | -41.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L349 M353 E549 L556 H557 K558 | L349-A553 HydrophobicContact CD2-CB 3.73Å; M353-A553 HydrophobicContact CE-CB 4.15Å; M353-A553 HydrophobicContact SD-CB 4.07Å; E549-A553 PolarHBondContact O-N 3.48Å; A553-L556 PolarHBondContact O-N 3.09Å; A553-H557 PolarHBondContact O-N 3.49Å; A553-K558 HydrophobicContact CB-CD 4.06Å; A553-K558 PolarHBondContact O-N 3.27Å; A553-K558 VanDerWaalsContact O-N 3.16Å |
| 554 | A | 84.4 | Confident | 79.8 | Confident | 6 Ų | 6 | 69.1 Ų | 69.1 | 5% | 0.05 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -68.9 | -31 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | V550 K551 E552 L556 H557 L561 | V550-A554 VanDerWaalsContact O-CB 3.28Å; V550-A554 WeakPolarHBondContact O-CB 3.47Å; V550-A554 PolarHBondContact O-N 3.01Å; V550-A554 VanDerWaalsContact O-N 3.07Å; K551-A554 PolarHBondContact O-N 3.27Å; E552-A554 VanDerWaalsContact C-N 3.3Å; E552-A554 PolarHBondContact O-N 3.02Å; A554-L556 VanDerWaalsContact C-N 3.33Å; A554-H557 PolarHBondContact O-N 3.48Å; A554-L561 HydrophobicContact CB-CB 3.89Å; A554-L561 HydrophobicContact CB-CD1 4.3Å |
| 555 | S | 79.1 | Confident | 76.9 | Confident | 74 Ų | 74 | 67.3 Ų | 67.3 | 52% | 0.517 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -70.7 | -30.5 | 174.9 | 81.2 | 0 | 0 | 0 | 0 | 112.8 | K551 E552 H557 | K551-S555 WeakPolarHBondContact O-CB 3.34Å; K551-S555 PolarHBondContact O-N 3.41Å; E552-S555 WeakPolarHBondContact O-CA 3.42Å; E552-S555 WeakPolarHBondContact O-CB 3.36Å; E552-S555 PolarHBondContact O-N 3.33Å; E552-S555 PolarHBondContact O-OG 3.06Å; S555-H557 PolarHBondContact O-N 3.46Å |
| 556 | L | 78.4 | Confident | 74.2 | Confident | 104 Ų | 104 | 72.2 Ų | 72.2 | 55% | 0.545 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | 3.7 | 174.4 | -64.9 | 171.4 | 0 | 0 | 0 | 112.9 | E552 A553 A554 K558 | E552-L556 HydrophobicContact CG-CD1 4.25Å; E552-L556 WeakPolarHBondContact O-CG 3.3Å; E552-L556 PolarHBondContact O-N 3.39Å; A553-L556 PolarHBondContact O-N 3.09Å; A554-L556 VanDerWaalsContact C-N 3.33Å; L556-K558 HydrophobicContact CB-CG 4.02Å; L556-K558 PolarHBondContact O-N 3.01Å; L556-K558 VanDerWaalsContact O-N 3.11Å |
| 557 | H | 71.9 | Confident | 71.5 | Confident | 110 Ų | 110 | 83 Ų | 83 | 51% | 0.509 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 24.7 | -176.4 | -67.5 | -51.2 | 0 | 0 | 0 | 115.2 | A553 A554 S555 H559 N560 L561 | A553-H557 PolarHBondContact O-N 3.49Å; A554-H557 PolarHBondContact O-N 3.48Å; S555-H557 PolarHBondContact O-N 3.46Å; H557-H559 PolarHBondContact O-N 3.24Å; H557-N560 PolarHBondContact O-N 2.84Å; H557-L561 PolarHBondContact ND1-O 3.28Å; H557-L561 VanDerWaalsContact ND1-O 3.12Å |
| 558 | K | 73.2 | Confident | 68.6 | Low | 58 Ų | 58 | 85.8 Ų | 85.8 | 25% | 0.252 | 43% | 0.434 | S | S | . | . | G | 310 helix | trans | -55.1 | 132.6 | 177.1 | -64.6 | -177.8 | -178.3 | 171.2 | 0 | 109.6 | E350 M353 A553 L556 N560 L561 | E350-K558 WeakPolarHBondContact OE1-CD 3.31Å; E350-K558 WeakPolarHBondContact OE1-CE 3.35Å; E350-K558 IonicContact OE1-NZ 3.79Å; E350-K558 PolarHBondContact OE1-NZ 2.96Å; M353-K558 HydrophobicContact CE-CB 3.94Å; M353-K558 HydrophobicContact CE-CD 3.81Å; M353-K558 HydrophobicContact SD-CB 4.16Å; A553-K558 HydrophobicContact CB-CD 4.06Å; A553-K558 PolarHBondContact O-N 3.27Å; A553-K558 VanDerWaalsContact O-N 3.16Å; L556-K558 HydrophobicContact CB-CG 4.02Å; L556-K558 PolarHBondContact O-N 3.01Å; L556-K558 VanDerWaalsContact O-N 3.11Å; K558-N560 PolarHBondContact O-N 3.23Å; K558-N560 VanDerWaalsContact O-N 3.1Å; K558-L561 WeakPolarHBondContact O-CB 3.22Å; K558-L561 PolarHBondContact O-N 3.39Å |
| 559 | H | 74.9 | Confident | 66 | Low | 68 Ų | 68 | 85.7 Ų | 85.7 | 32% | 0.315 | 45% | 0.447 | S | S | . | . | G | 310 helix | trans | 47.5 | 36.4 | -178.6 | -60.5 | -84.4 | 0 | 0 | 0 | 115.8 | S357 R485 H557 L561 | S357-H559 WeakPolarHBondContact OG-CB 3.44Å; R485-H559 PolarHBondContact NH1-O 2.86Å; H557-H559 PolarHBondContact O-N 3.24Å; H559-L561 VanDerWaalsContact C-N 3.3Å; H559-L561 PolarHBondContact O-N 3.44Å |
| 560 | N | 71.1 | Confident | 63.3 | Low | 86 Ų | 86 | 92.1 Ų | 92.1 | 46% | 0.46 | 48% | 0.482 | S | S | . | . | G | 310 helix | trans | 55.2 | 43.3 | -176.8 | -55.2 | -34.7 | 0 | 0 | 0 | 112.7 | R485 H557 K558 | R485-N560 PolarHBondContact NH2-O 2.86Å; H557-N560 PolarHBondContact O-N 2.84Å; K558-N560 PolarHBondContact O-N 3.23Å; K558-N560 VanDerWaalsContact O-N 3.1Å |
| 561 | L | 70.4 | Confident | 60.5 | Low | 0 Ų | 0 | 97.4 Ų | 97.4 | 0% | 0 | 52% | 0.519 | C | S | . | . | P | Polyproline II helix | trans | -76.5 | 122.2 | 160.4 | -74.1 | 178.3 | 0 | 0 | 0 | 109.1 | M353 R485 K486 F489 A554 H557 K558 H559 | M353-L561 HydrophobicContact SD-CD1 3.85Å; R485-L561 HydrophobicContact CB-CD2 4.34Å; K486-L561 HydrophobicContact CG-CD2 4.05Å; F489-L561 HydrophobicContact CD2-CD1 4.3Å; F489-L561 HydrophobicContact CE2-CD1 4.13Å; F489-L561 HydrophobicContact CE2-CD2 4.11Å; F489-L561 HydrophobicContact CE2-CG 4.48Å; A554-L561 HydrophobicContact CB-CB 3.89Å; A554-L561 HydrophobicContact CB-CD1 4.3Å; H557-L561 PolarHBondContact ND1-O 3.28Å; H557-L561 VanDerWaalsContact ND1-O 3.12Å; K558-L561 WeakPolarHBondContact O-CB 3.22Å; K558-L561 PolarHBondContact O-N 3.39Å; H559-L561 VanDerWaalsContact C-N 3.3Å; H559-L561 PolarHBondContact O-N 3.44Å |
| 562 | F | 59.8 | Low | 57.6 | Low | 97 Ų | 97 | 96.3 Ų | 96.3 | 43% | 0.425 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -86.3 | 140.7 | 178.1 | -71.4 | -74.4 | 0 | 0 | 0 | 110.9 | D478 S482 K486 | D478-F562 HydrophobicContact CB-CE2 4.18Å; S482-F562 PolarHBondContact OG-N 2.89Å; K486-F562 WeakPolarHBondContact CE-O 3.35Å; K486-F562 PolarHBondContact NZ-O 3.17Å |
| 563 | K | 51 | Low | 54.8 | Low | 158 Ų | 158 | 100.3 Ų | 100.3 | 69% | 0.687 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 138.8 | 166.5 | -173.4 | 171.5 | -175.8 | 170 | 0 | 109.2 | S565 | K563-S565 PolarHBondContact O-N 2.96Š|
| 564 | E | 41.1 | Very low | 52.1 | Low | 139 Ų | 139 | 106.1 Ų | 106.1 | 65% | 0.65 | 59% | 0.59 | S | S | * | * | trans | -62 | 108.9 | 169.3 | -73.2 | 171.3 | 110 | 0 | 0 | 109 | ||||
| 565 | S | 33.5 | Very low | 49.4 | Very low | 77 Ų | 77 | 112.4 Ų | 112.4 | 54% | 0.538 | 63% | 0.628 | S | S | . | * | trans | -118.6 | 90.7 | 176.6 | -170.8 | 0 | 0 | 0 | 0 | 108 | K563 R567 | K563-S565 PolarHBondContact O-N 2.96Å; S565-R567 PolarHBondContact O-N 3.47Å | ||
| 566 | S | 37.9 | Very low | 47.4 | Very low | 127 Ų | 127 | 115 Ų | 115 | 89% | 0.888 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -71.3 | 45.2 | 175.1 | 42 | 0 | 0 | 0 | 0 | 112.3 | ||
| 567 | R | 39.3 | Very low | 44.9 | Very low | 226 Ų | 226 | 115.7 Ų | 115.7 | 85% | 0.853 | 66% | 0.656 | S | S | * | * | trans | -143.6 | 50.7 | 177.4 | -68.7 | -168.2 | 174.9 | 153.5 | 2.2 | 111.4 | S565 | S565-R567 PolarHBondContact O-N 3.47Š| ||
| 568 | A | 33.5 | Very low | 42.8 | Very low | 83 Ų | 83 | 116 Ų | 116 | 69% | 0.686 | 67% | 0.671 | S | S | * | * | trans | -102.1 | 31 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 569 | S | 37 | Very low | 41.9 | Very low | 108 Ų | 108 | 119.3 Ų | 119.3 | 76% | 0.755 | 70% | 0.698 | S | S | * | * | trans | -141.9 | 161.2 | 175.6 | -78.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 570 | L | 37.9 | Very low | 39.5 | Very low | 173 Ų | 173 | 121.1 Ų | 121.1 | 91% | 0.906 | 73% | 0.725 | S | S | * | * | S | Bend | trans | 70.2 | 57.7 | -177.5 | -50.1 | -177.7 | 0 | 0 | 0 | 116.4 | ||
| 571 | S | 30.3 | Very low | 37.5 | Very low | 115 Ų | 115 | 126.1 Ų | 126.1 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | trans | -168.9 | 78.2 | 148.1 | 38.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 572 | S | 28.5 | Very low | 35.5 | Very low | 112 Ų | 112 | 130.5 Ų | 130.5 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | trans | 176 | 79.8 | 149.5 | -82.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 573 | M | 30.9 | Very low | 33.9 | Very low | 185 Ų | 185 | 134.6 Ų | 134.6 | 91% | 0.911 | 81% | 0.807 | S | S | * | * | trans | -136 | 88.9 | 168.2 | -79.1 | -63.2 | 157.7 | 0 | 0 | 110.1 | ||||
| 574 | S | 29.7 | Very low | 32.9 | Very low | 123 Ų | 123 | 131.2 Ų | 131.2 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | -142.9 | 104.6 | 172 | -63.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 575 | T | 28.3 | Very low | 32.3 | Very low | 138 Ų | 138 | 130.4 Ų | 130.4 | 85% | 0.847 | 82% | 0.819 | S | S | * | * | trans | -79.3 | 152.9 | 171.8 | 44.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 576 | P | 37.2 | Very low | 32.1 | Very low | 128 Ų | 128 | 131.4 Ų | 131.4 | 83% | 0.831 | 83% | 0.826 | S | S | * | * | trans | -90.6 | 140.5 | -172.7 | 34.1 | -34.5 | 0 | 0 | 0 | 113.8 | ||||
| 577 | S | 26 | Very low | 31.8 | Very low | 118 Ų | 118 | 132.5 Ų | 132.5 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | trans | -152.4 | 138 | 163.6 | 59.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 578 | S | 26.7 | Very low | 31.1 | Very low | 116 Ų | 116 | 133 Ų | 133 | 81% | 0.811 | 82% | 0.822 | S | S | * | * | trans | -103.7 | -162.4 | -168.2 | -54.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 579 | P | 54.4 | Low | 30.8 | Very low | 128 Ų | 128 | 134.1 Ų | 134.1 | 83% | 0.831 | 83% | 0.825 | S | S | * | * | -125.8 | 157.9 | -86.3 | 38 | -23.4 | 0 | 0 | 0 | 114.4 | |||||
| 580 | A | 24.6 | Very low | 31 | Very low | 106 Ų | 106 | 135.4 Ų | 135.4 | 88% | 0.876 | 83% | 0.83 | S | S | * | * | trans | -147.9 | 166.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 581 | Q | 29.8 | Very low | 30.5 | Very low | 191 Ų | 191 | 132.4 Ų | 132.4 | 89% | 0.893 | 82% | 0.824 | S | S | * | * | trans | -90.1 | 152 | -159.6 | -61.8 | 169.6 | -8.8 | 0 | 0 | 115.6 | ||||
| 582 | A | 28.2 | Very low | 30.4 | Very low | 93 Ų | 93 | 136.1 Ų | 136.1 | 77% | 0.769 | 83% | 0.828 | S | S | * | * | trans | 36.8 | 129.4 | 140.5 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 583 | L | 27.5 | Very low | 30.3 | Very low | 182 Ų | 182 | 135 Ų | 135 | 95% | 0.953 | 83% | 0.826 | S | S | * | * | -165.3 | 166.9 | 114 | -103.9 | 167.8 | 0 | 0 | 0 | 110.8 | |||||
| 584 | A | 28 | Very low | 31.7 | Very low | 87 Ų | 87 | 132 Ų | 132 | 72% | 0.719 | 82% | 0.82 | S | S | * | * | trans | -131.7 | 135 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 585 | S | 30.3 | Very low | 32.8 | Very low | 123 Ų | 123 | 131.6 Ų | 131.6 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | trans | 162.6 | 165 | 158.6 | 43.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 586 | S | 28.8 | Very low | 33 | Very low | 97 Ų | 97 | 130.1 Ų | 130.1 | 68% | 0.678 | 81% | 0.81 | S | S | * | * | cis | -169.2 | 152.8 | -43.1 | -155.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 587 | I | 30.5 | Very low | 33.6 | Very low | 151 Ų | 151 | 129.5 Ų | 129.5 | 77% | 0.774 | 81% | 0.806 | S | S | * | * | trans | 59.6 | 117.2 | 157.5 | -62.2 | 150.9 | 0 | 0 | 0 | 117.9 | ||||
| 588 | R | 24.6 | Very low | 33.8 | Very low | 237 Ų | 237 | 131.9 Ų | 131.9 | 89% | 0.894 | 81% | 0.809 | S | S | * | * | -164.4 | 141.8 | 98.3 | -148.3 | 166.6 | -168.6 | 170.3 | 4.5 | 113.9 | |||||
| 589 | S | 28.1 | Very low | 33.9 | Very low | 105 Ų | 105 | 130 Ų | 130 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | trans | -135.5 | 167.3 | 163.8 | -46.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 590 | P | 40.1 | Very low | 32.7 | Very low | 135 Ų | 135 | 130.5 Ų | 130.5 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | -136.2 | -178.3 | 115.8 | 37.1 | -25.9 | 0 | 0 | 0 | 113.2 | |||||
| 591 | S | 28.1 | Very low | 32.7 | Very low | 110 Ų | 110 | 130.9 Ų | 130.9 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | -140.1 | 154.3 | -169.8 | 166.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 592 | Q | 29 | Very low | 32.7 | Very low | 193 Ų | 193 | 132 Ų | 132 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | trans | -172.5 | 161.3 | 139.4 | -105.3 | 164.6 | 28.8 | 0 | 0 | 114.6 | ||||
| 593 | A | 26.4 | Very low | 33 | Very low | 88 Ų | 88 | 133.5 Ų | 133.5 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | -166.3 | -174.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 594 | P | 60.7 | Low | 33.7 | Very low | 122 Ų | 122 | 129 Ų | 129 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | cis | -106.6 | -97.2 | -16 | 21.4 | 2.8 | 0 | 0 | 0 | 110.9 | ||||
| 595 | P | 51 | Low | 35 | Very low | 115 Ų | 115 | 129.9 Ų | 129.9 | 75% | 0.747 | 78% | 0.775 | S | S | * | * | cis | -112.2 | -167.1 | -5.3 | 42.9 | -30.1 | 0 | 0 | 0 | 113.9 | ||||
| 596 | S | 34 | Very low | 34.8 | Very low | 108 Ų | 108 | 129.2 Ų | 129.2 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | trans | -157.4 | 163.1 | 172.3 | -46 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 597 | P | 48.9 | Very low | 35.6 | Very low | 115 Ų | 115 | 129.4 Ų | 129.4 | 75% | 0.747 | 77% | 0.769 | S | S | * | * | trans | -120.5 | 133.8 | 146.9 | 7.7 | 14.7 | 0 | 0 | 0 | 111.3 | ||||
| 598 | L | 30.9 | Very low | 35.3 | Very low | 168 Ų | 168 | 128 Ų | 128 | 88% | 0.88 | 77% | 0.768 | S | S | * | * | 69.2 | 130.5 | 77.3 | -69.2 | 171 | 0 | 0 | 0 | 113.9 | |||||
| 599 | A | 28.8 | Very low | 35.4 | Very low | 77 Ų | 77 | 126.8 Ų | 126.8 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | cis | -166.2 | -171.6 | 1.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 600 | V | 28 | Very low | 35.2 | Very low | 137 Ų | 137 | 125.5 Ų | 125.5 | 83% | 0.83 | 77% | 0.772 | S | S | * | * | trans | 82.9 | 116.9 | 163.9 | -168.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 601 | S | 25.7 | Very low | 34.5 | Very low | 115 Ų | 115 | 123.4 Ų | 123.4 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | cis | -141.2 | 155.6 | 14.1 | -97.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 602 | R | 29.6 | Very low | 34.4 | Very low | 215 Ų | 215 | 126.9 Ų | 126.9 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | trans | -149.9 | 141.8 | 161.7 | -154.4 | -172.2 | -177.6 | -174.9 | 1.2 | 108.3 | ||||
| 603 | P | 33.6 | Very low | 34.7 | Very low | 124 Ų | 124 | 122.3 Ų | 122.3 | 81% | 0.805 | 76% | 0.757 | S | S | * | * | -139.7 | 172.7 | 103.8 | 25.6 | -5.6 | 0 | 0 | 0 | 114 | |||||
| 604 | P | 42.3 | Very low | 34.7 | Very low | 87 Ų | 87 | 125.9 Ų | 125.9 | 57% | 0.565 | 76% | 0.757 | S | S | * | * | trans | -118.3 | -132.2 | -168.9 | 28.2 | -3.3 | 0 | 0 | 0 | 112.3 | ||||
| 605 | P | 55.7 | Low | 33.2 | Very low | 105 Ų | 105 | 129.5 Ų | 129.5 | 68% | 0.682 | 75% | 0.754 | S | S | * | * | -123.7 | -169.5 | -93.7 | 39.6 | -24.6 | 0 | 0 | 0 | 114.4 | |||||
| 606 | S | 27.1 | Very low | 32 | Very low | 109 Ų | 109 | 130.9 Ų | 130.9 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | trans | 78.5 | -170 | 153.9 | 72.4 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 607 | P | 45 | Very low | 31.6 | Very low | 102 Ų | 102 | 133.8 Ų | 133.8 | 66% | 0.662 | 76% | 0.758 | S | S | * | * | -134.5 | -172.8 | -103.4 | 40.2 | -20.1 | 0 | 0 | 0 | 116.3 | |||||
| 608 | T | 23.3 | Very low | 30.6 | Very low | 120 Ų | 120 | 135.1 Ų | 135.1 | 74% | 0.736 | 76% | 0.764 | S | S | * | * | trans | 67.4 | 127.4 | 155.2 | 36.1 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 609 | K | 26.8 | Very low | 30.4 | Very low | 212 Ų | 212 | 130.7 Ų | 130.7 | 92% | 0.922 | 76% | 0.758 | S | S | * | * | trans | 39.2 | 121.8 | 140.1 | -70.3 | -173.3 | 173.6 | -176.9 | 0 | 120.8 | ||||
| 610 | G | 23.9 | Very low | 30.5 | Very low | 78 Ų | 78 | 136 Ų | 136 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | 145.1 | 158.3 | 138.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 611 | A | 26.2 | Very low | 30.5 | Very low | 91 Ų | 91 | 135.3 Ų | 135.3 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | cis | -169.3 | 153.7 | -18.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 612 | E | 25 | Very low | 30.9 | Very low | 183 Ų | 183 | 137.2 Ų | 137.2 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | trans | 67 | 165.6 | 153.2 | -78.1 | -146.5 | 131.2 | 0 | 0 | 119.2 | ||||
| 613 | P | 36.2 | Very low | 30.9 | Very low | 97 Ų | 97 | 135.6 Ų | 135.6 | 63% | 0.63 | 77% | 0.768 | S | S | * | * | cis | -133.7 | 164.1 | 12.1 | 42.3 | -26 | 0 | 0 | 0 | 119.3 | ||||
| 614 | K | 26.4 | Very low | 30.7 | Very low | 163 Ų | 163 | 134 Ų | 134 | 71% | 0.709 | 77% | 0.766 | S | S | * | * | trans | 79.4 | 115.7 | 144.5 | -76.9 | 157.7 | -175.4 | 169.9 | 0 | 122.5 | ||||
| 615 | R | 28.8 | Very low | 30.3 | Very low | 198 Ų | 198 | 134.8 Ų | 134.8 | 75% | 0.747 | 78% | 0.779 | S | S | * | * | 75 | 146.1 | 121.5 | -69.7 | -167.3 | 157.2 | 163.2 | -3.7 | 120.8 | |||||
| 616 | E | 26.3 | Very low | 29.5 | Very low | 145 Ų | 145 | 138.2 Ų | 138.2 | 68% | 0.678 | 79% | 0.786 | S | S | * | * | cis | -166.7 | 113.7 | -18.7 | -120.5 | 158.7 | -159.2 | 0 | 0 | 107.9 | ||||
| 617 | N | 25.5 | Very low | 30.1 | Very low | 168 Ų | 168 | 138.6 Ų | 138.6 | 90% | 0.898 | 78% | 0.784 | S | S | * | * | trans | -169.5 | 155.4 | 134.1 | -122.6 | -27.9 | 0 | 0 | 0 | 114.9 | ||||
| 618 | V | 28.1 | Very low | 29.6 | Very low | 144 Ų | 144 | 141.2 Ų | 141.2 | 87% | 0.873 | 79% | 0.791 | S | S | * | * | trans | -72.2 | 148.7 | -170.9 | -177.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 619 | G | 27.1 | Very low | 29.9 | Very low | 74 Ų | 74 | 143.5 Ų | 143.5 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | trans | 161 | 126.1 | 160.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 620 | E | 29.2 | Very low | 29.9 | Very low | 189 Ų | 189 | 142 Ų | 142 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | trans | -100.4 | 144.2 | -168.8 | -82.5 | -177.1 | 112.1 | 0 | 0 | 116.7 | ||||
| 621 | V | 29.5 | Very low | 30.2 | Very low | 122 Ų | 122 | 146 Ų | 146 | 74% | 0.739 | 79% | 0.79 | S | S | * | * | trans | 72.5 | 129.7 | 139.5 | 174.8 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 622 | L | 32.8 | Very low | 30.7 | Very low | 156 Ų | 156 | 147.6 Ų | 147.6 | 82% | 0.817 | 79% | 0.789 | S | S | * | * | trans | -3.6 | 148.1 | 151 | -49.9 | 167.1 | 0 | 0 | 0 | 118.3 | ||||
| 623 | Q | 29.6 | Very low | 30.9 | Very low | 180 Ų | 180 | 147 Ų | 147 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | cis | -163.6 | 155.8 | 34.1 | -160.4 | 179.7 | 9.9 | 0 | 0 | 112.9 | ||||
| 624 | A | 30.5 | Very low | 31.6 | Very low | 92 Ų | 92 | 146.9 Ų | 146.9 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | trans | 77.5 | 146.8 | 156.3 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 625 | A | 33 | Very low | 31.9 | Very low | 103 Ų | 103 | 145.8 Ų | 145.8 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | trans | 72.6 | 135.4 | 154.8 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 626 | E | 39.5 | Very low | 32 | Very low | 177 Ų | 177 | 141.1 Ų | 141.1 | 83% | 0.827 | 80% | 0.797 | S | S | * | * | trans | -68.6 | 169.2 | 160.4 | -57.7 | 170.6 | 98.9 | 0 | 0 | 110.9 | ||||
| 627 | T | 40.4 | Very low | 32.1 | Very low | 116 Ų | 116 | 141.5 Ų | 141.5 | 71% | 0.712 | 80% | 0.803 | S | S | * | * | cis | -155.5 | -169.3 | 10.8 | -13.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 628 | L | 33.2 | Very low | 32.1 | Very low | 157 Ų | 157 | 144.2 Ų | 144.2 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | trans | 90.1 | 143.1 | 156 | -51.2 | -175.7 | 0 | 0 | 0 | 119.4 | ||||
| 629 | L | 29 | Very low | 33.1 | Very low | 168 Ų | 168 | 142 Ų | 142 | 88% | 0.88 | 79% | 0.79 | S | S | * | * | trans | -138.3 | 117.2 | 140.1 | -87.7 | -179 | 0 | 0 | 0 | 110.1 | ||||
| 630 | K | 27.2 | Very low | 33.1 | Very low | 181 Ų | 181 | 145.9 Ų | 145.9 | 79% | 0.787 | 79% | 0.793 | S | S | * | * | -168.8 | 107.1 | 124.7 | -107.5 | -179 | 172.9 | -176 | 0 | 112.7 | |||||
| 631 | E | 30.8 | Very low | 33.2 | Very low | 163 Ų | 163 | 141 Ų | 141 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | trans | 48.1 | 132.7 | 133.4 | -63 | 176.1 | 112.5 | 0 | 0 | 120.9 | ||||
| 632 | V | 37 | Very low | 33.1 | Very low | 123 Ų | 123 | 144 Ų | 144 | 75% | 0.745 | 79% | 0.788 | S | S | * | * | cis | -167 | 142.6 | -10.4 | 102.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 633 | E | 29.1 | Very low | 32.4 | Very low | 172 Ų | 172 | 143.8 Ų | 143.8 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | 57.7 | 159.3 | 157.2 | -67.1 | -149.5 | 142.3 | 0 | 0 | 123.5 | ||||
| 634 | P | 51.2 | Low | 33.1 | Very low | 94 Ų | 94 | 140.5 Ų | 140.5 | 61% | 0.61 | 78% | 0.782 | S | S | * | * | cis | -143 | 174 | -45 | 40.2 | -23.4 | 0 | 0 | 0 | 117.4 | ||||
| 635 | T | 31.6 | Very low | 32.8 | Very low | 140 Ų | 140 | 140.7 Ų | 140.7 | 86% | 0.859 | 78% | 0.783 | S | S | * | * | trans | 101.5 | 121.5 | 151.6 | 65.7 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 636 | A | 31.3 | Very low | 32.4 | Very low | 100 Ų | 100 | 140.2 Ų | 140.2 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | trans | 92.9 | 94 | 138.2 | 0 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 637 | D | 28.3 | Very low | 31.7 | Very low | 152 Ų | 152 | 141.4 Ų | 141.4 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | 86.6 | 118.5 | 117.9 | -125.2 | 5.6 | 0 | 0 | 0 | 127.9 | |||||
| 638 | R | 26.5 | Very low | 30.8 | Very low | 225 Ų | 225 | 138.9 Ų | 138.9 | 85% | 0.849 | 78% | 0.782 | S | S | * | * | trans | 78 | 161.8 | 141 | -89.9 | -169.9 | 127.1 | 145.8 | 1.6 | 126.4 | ||||
| 639 | P | 47.8 | Very low | 30.2 | Very low | 98 Ų | 98 | 137.4 Ų | 137.4 | 64% | 0.636 | 78% | 0.779 | S | S | * | * | trans | -144.2 | -170.7 | -134.6 | 42.9 | -18.5 | 0 | 0 | 0 | 119.9 | ||||
| 640 | D | 27 | Very low | 29.9 | Very low | 155 Ų | 155 | 137.5 Ų | 137.5 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | 141.3 | 134 | 130 | -102.7 | -48.7 | 0 | 0 | 0 | 122.8 | |||||
| 641 | A | 31 | Very low | 29.6 | Very low | 87 Ų | 87 | 134 Ų | 134 | 72% | 0.719 | 77% | 0.769 | S | S | * | * | trans | 46.7 | 111.5 | 146.9 | 0 | 0 | 0 | 0 | 0 | 130.5 | ||||
| 642 | K | 28 | Very low | 29.2 | Very low | 184 Ų | 184 | 133.6 Ų | 133.6 | 80% | 0.8 | 77% | 0.771 | S | S | * | * | 72.6 | 116.5 | 105.5 | -163.5 | 177.6 | -176 | -179.2 | 0 | 127.5 | |||||
| 643 | L | 19.4 | Very low | 28.5 | Very low | 152 Ų | 152 | 136 Ų | 136 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | trans | 46.9 | 176.7 | 138.2 | -58.1 | 173.5 | 0 | 0 | 0 | 123.2 | ||||
| 644 | P | 42.7 | Very low | 28.2 | Very low | 112 Ų | 112 | 133.7 Ų | 133.7 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | -138.8 | 177.5 | -61.1 | 43.5 | -26.7 | 0 | 0 | 0 | 117.3 | |||||
| 645 | A | 24.3 | Very low | 26.9 | Very low | 96 Ų | 96 | 137.8 Ų | 137.8 | 79% | 0.793 | 78% | 0.78 | S | S | * | * | trans | 69.2 | 145 | 144.1 | 0 | 0 | 0 | 0 | 0 | 126.6 | ||||
| 646 | A | 26 | Very low | 26.6 | Very low | 92 Ų | 92 | 136.8 Ų | 136.8 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | trans | 83.7 | 143.6 | 145.4 | 0 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 647 | E | 23.1 | Very low | 26.3 | Very low | 202 Ų | 202 | 139.4 Ų | 139.4 | 94% | 0.944 | 77% | 0.772 | S | S | * | * | trans | 58.2 | 155 | 160.1 | -65.5 | 172.4 | 175.7 | 0 | 0 | 120.1 | ||||
| 648 | G | 21.7 | Very low | 26.3 | Very low | 64 Ų | 64 | 137.3 Ų | 137.3 | 66% | 0.66 | 77% | 0.77 | S | S | * | * | cis | 172.8 | 161.5 | -8.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 649 | T | 20.7 | Very low | 26.1 | Very low | 125 Ų | 125 | 132.4 Ų | 132.4 | 77% | 0.767 | 77% | 0.77 | S | S | * | * | trans | 61.5 | 122.7 | 158.7 | 36 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 650 | Q | 23 | Very low | 25.2 | Very low | 171 Ų | 171 | 132.3 Ų | 132.3 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | 51.8 | 152.8 | 116.9 | -61.9 | -179.2 | -10.5 | 0 | 0 | 122.8 | |||||
| 651 | T | 21.6 | Very low | 24.9 | Very low | 106 Ų | 106 | 133.4 Ų | 133.4 | 65% | 0.65 | 78% | 0.777 | S | S | * | * | cis | -173.8 | 149.2 | -10.5 | 27.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 652 | L | 22.3 | Very low | 24.9 | Very low | 155 Ų | 155 | 135 Ų | 135 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | trans | 65 | 166.1 | 152.9 | -59.2 | 162.8 | 0 | 0 | 0 | 117.5 | ||||
| 653 | K | 21.7 | Very low | 24.6 | Very low | 175 Ų | 175 | 135.1 Ų | 135.1 | 76% | 0.761 | 78% | 0.781 | S | S | * | * | cis | -158.3 | 129.4 | 1.1 | -141.4 | 179.6 | 177.5 | -170.2 | 0 | 113.4 | ||||
| 654 | V | 24.2 | Very low | 26.2 | Very low | 123 Ų | 123 | 132.8 Ų | 132.8 | 75% | 0.745 | 78% | 0.775 | S | S | * | * | trans | 43.4 | 148.4 | 130 | -167.1 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 655 | E | 23.6 | Very low | 26 | Very low | 180 Ų | 180 | 133.3 Ų | 133.3 | 84% | 0.841 | 78% | 0.778 | S | S | * | * | trans | 109.6 | 151.3 | 158.6 | -60.3 | -155.7 | 148.7 | 0 | 0 | 120 | ||||
| 656 | V | 25.3 | Very low | 26.2 | Very low | 119 Ų | 119 | 134.5 Ų | 134.5 | 72% | 0.721 | 78% | 0.781 | S | S | * | * | -158.4 | 163.4 | -51.8 | 173.6 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 657 | I | 25.1 | Very low | 26.5 | Very low | 155 Ų | 155 | 134.6 Ų | 134.6 | 80% | 0.795 | 78% | 0.781 | S | S | * | * | trans | 134.5 | 101.6 | 141.5 | -62.1 | 173.5 | 0 | 0 | 0 | 118.3 | ||||
| 658 | S | 26.6 | Very low | 26.5 | Very low | 108 Ų | 108 | 135.1 Ų | 135.1 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | 37 | 133.6 | 131.9 | -161.7 | 0 | 0 | 0 | 0 | 126.6 | ||||
| 659 | S | 24.3 | Very low | 26.8 | Very low | 122 Ų | 122 | 138.2 Ų | 138.2 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | -176 | 169.2 | 123.3 | -78.1 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 660 | A | 27.2 | Very low | 27.1 | Very low | 95 Ų | 95 | 140.2 Ų | 140.2 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | -146.5 | 175.8 | -156.7 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 661 | E | 21.9 | Very low | 27.3 | Very low | 178 Ų | 178 | 139 Ų | 139 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | trans | 73.6 | 161.4 | 163.4 | -88.8 | -153.9 | 117.8 | 0 | 0 | 120.2 | ||||
| 662 | P | 30.3 | Very low | 28.5 | Very low | 121 Ų | 121 | 138.4 Ų | 138.4 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | cis | -143.6 | -164 | 31.8 | 45 | -23.9 | 0 | 0 | 0 | 119.1 | ||||
| 663 | K | 22.9 | Very low | 28.8 | Very low | 186 Ų | 186 | 136.5 Ų | 136.5 | 81% | 0.809 | 79% | 0.789 | S | S | * | * | trans | -148.7 | -160.2 | -178.9 | -145.1 | -168.6 | -177 | 173.1 | 0 | 110.7 | ||||
| 664 | P | 51.3 | Low | 29.2 | Very low | 103 Ų | 103 | 136.7 Ų | 136.7 | 67% | 0.669 | 79% | 0.792 | S | S | * | * | -94.5 | -160.8 | -81.2 | 40.9 | -26.9 | 0 | 0 | 0 | 114.3 | |||||
| 665 | P | 38.4 | Very low | 29.6 | Very low | 124 Ų | 124 | 136.6 Ų | 136.6 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | -143.2 | 178 | 118 | 40.2 | -27.2 | 0 | 0 | 0 | 115.7 | |||||
| 666 | S | 29.2 | Very low | 29.6 | Very low | 121 Ų | 121 | 135.6 Ų | 135.6 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | trans | -171.2 | 168.4 | -174.9 | -81.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 667 | A | 31.7 | Very low | 29.6 | Very low | 93 Ų | 93 | 136.8 Ų | 136.8 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | cis | -169 | 177.2 | -20.4 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 668 | K | 24.1 | Very low | 29.6 | Very low | 213 Ų | 213 | 137.4 Ų | 137.4 | 93% | 0.926 | 79% | 0.79 | S | S | * | * | trans | -157.8 | 156.9 | 169.5 | -119.5 | 166.1 | -171 | 177.7 | 0 | 117.4 | ||||
| 669 | T | 28 | Very low | 29.6 | Very low | 130 Ų | 130 | 138.3 Ų | 138.3 | 80% | 0.798 | 78% | 0.782 | S | S | * | * | trans | -99.7 | 157.3 | -159.4 | -38.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 670 | L | 25.7 | Very low | 29.6 | Very low | 166 Ų | 166 | 139 Ų | 139 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | trans | 179.1 | 169.8 | 130.2 | -98.3 | 166.9 | 0 | 0 | 0 | 114.6 | ||||
| 671 | D | 29.1 | Very low | 29.8 | Very low | 145 Ų | 145 | 140.5 Ų | 140.5 | 78% | 0.775 | 77% | 0.77 | S | S | * | * | trans | -162.9 | -179.7 | -170.6 | -149.6 | 28 | 0 | 0 | 0 | 107.5 | ||||
| 672 | P | 45.9 | Very low | 30.1 | Very low | 94 Ų | 94 | 137.1 Ų | 137.1 | 61% | 0.61 | 77% | 0.766 | S | S | * | * | cis | -140.1 | -170.5 | -1.6 | 45.7 | -27.4 | 0 | 0 | 0 | 116.9 | ||||
| 673 | S | 28.4 | Very low | 30 | Very low | 116 Ų | 116 | 136.2 Ų | 136.2 | 81% | 0.811 | 76% | 0.758 | S | S | * | * | trans | 79.8 | 156.8 | 149.1 | -62.4 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 674 | E | 29.5 | Very low | 30.3 | Very low | 179 Ų | 179 | 136 Ų | 136 | 84% | 0.836 | 76% | 0.76 | S | S | * | * | trans | -69.8 | 169 | -178 | -56.1 | 176.5 | 91.6 | 0 | 0 | 115.1 | ||||
| 675 | P | 33.3 | Very low | 29.2 | Very low | 120 Ų | 120 | 135.8 Ų | 135.8 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | -148.7 | 140.8 | 99.7 | 38.1 | -21.8 | 0 | 0 | 0 | 118.5 | |||||
| 676 | Q | 23.6 | Very low | 28.8 | Very low | 159 Ų | 159 | 138.8 Ų | 138.8 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | trans | 26.8 | 127.5 | 132.8 | -62 | -177.1 | -9.2 | 0 | 0 | 123.9 | ||||
| 677 | I | 25 | Very low | 28.9 | Very low | 144 Ų | 144 | 140 Ų | 140 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | 48.3 | 117.8 | 122 | -51.7 | 164.6 | 0 | 0 | 0 | 120.5 | |||||
| 678 | Q | 25.5 | Very low | 29.5 | Very low | 168 Ų | 168 | 141 Ų | 141 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | -172.1 | 120.7 | 116.9 | -147.7 | 163.2 | 16.7 | 0 | 0 | 108.5 | |||||
| 679 | E | 26.7 | Very low | 29.6 | Very low | 128 Ų | 128 | 140.9 Ų | 140.9 | 60% | 0.598 | 76% | 0.755 | S | S | * | * | cis | 96.3 | 116.4 | 38.1 | -173.8 | -168.9 | -138.4 | 0 | 0 | 113.9 | L681 | E679-L681 HydrophobicContact CG-CD1 3.73Š| ||
| 680 | N | 24.5 | Very low | 29.5 | Very low | 137 Ų | 137 | 140.8 Ų | 140.8 | 73% | 0.733 | 76% | 0.755 | S | S | * | * | trans | 171.8 | 109.3 | 141.5 | -97.4 | -78.3 | 0 | 0 | 0 | 107.1 | ||||
| 681 | L | 31.3 | Very low | 29.6 | Very low | 126 Ų | 126 | 141.6 Ų | 141.6 | 66% | 0.66 | 75% | 0.754 | S | S | * | * | 59.2 | 128 | 79.5 | -76.4 | 90 | 0 | 0 | 0 | 112.6 | E679 | E679-L681 HydrophobicContact CG-CD1 3.73Š| |||
| 682 | S | 27.4 | Very low | 29.5 | Very low | 106 Ų | 106 | 145.4 Ų | 145.4 | 74% | 0.741 | 76% | 0.757 | S | S | * | * | cis | -164 | 165.5 | 45.1 | -85.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 683 | V | 28.3 | Very low | 28.5 | Very low | 103 Ų | 103 | 145.7 Ų | 145.7 | 62% | 0.624 | 76% | 0.757 | S | S | * | * | cis | -164.2 | 131.5 | -3.8 | 124.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 684 | Q | 29.5 | Very low | 28.3 | Very low | 181 Ų | 181 | 146.2 Ų | 146.2 | 85% | 0.846 | 75% | 0.751 | S | S | * | * | trans | 48.5 | 161.8 | 136.5 | -53.8 | 174.3 | -22.7 | 0 | 0 | 121.7 | ||||
| 685 | A | 27.6 | Very low | 28.2 | Very low | 99 Ų | 99 | 147.5 Ų | 147.5 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | cis | -140.8 | 174.5 | 16.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 686 | E | 29.8 | Very low | 27.9 | Very low | 187 Ų | 187 | 149.9 Ų | 149.9 | 87% | 0.874 | 76% | 0.758 | S | S | * | * | trans | -136.9 | 168 | -161.9 | -145.1 | -176 | -148.1 | 0 | 0 | 113.5 | ||||
| 687 | E | 32.5 | Very low | 28.1 | Very low | 145 Ų | 145 | 150.7 Ų | 150.7 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | trans | -6.3 | 164.8 | 165.4 | -127.5 | -165.6 | -109.3 | 0 | 0 | 123.3 | R689 | E687-R689 PolarHBondContact OE2-N 3.49Š| ||
| 688 | P | 43.1 | Very low | 28.3 | Very low | 114 Ų | 114 | 147.7 Ų | 147.7 | 74% | 0.74 | 76% | 0.759 | S | S | * | * | -153.1 | 144.9 | 91.3 | 38.8 | -19.7 | 0 | 0 | 0 | 119.4 | |||||
| 689 | R | 26.7 | Very low | 28.6 | Very low | 211 Ų | 211 | 148.4 Ų | 148.4 | 80% | 0.796 | 76% | 0.762 | S | S | * | * | 28.4 | 139.2 | 113.9 | -121.7 | 173.7 | -171.4 | 151.9 | 3.1 | 119.4 | E687 | E687-R689 PolarHBondContact OE2-N 3.49Š| |||
| 690 | T | 25.7 | Very low | 28.5 | Very low | 129 Ų | 129 | 147.8 Ų | 147.8 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | -176.5 | 175.5 | 67.7 | -50.4 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 691 | Q | 28.3 | Very low | 28.6 | Very low | 182 Ų | 182 | 147.2 Ų | 147.2 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | trans | -98.8 | 167.8 | -175.5 | -59.2 | 170.7 | -25 | 0 | 0 | 115.9 | ||||
| 692 | R | 27.4 | Very low | 28.4 | Very low | 225 Ų | 225 | 146.7 Ų | 146.7 | 85% | 0.849 | 78% | 0.775 | S | S | * | * | trans | 115 | 120.4 | 132.8 | -133.7 | -163.8 | -174.8 | 163 | 2.2 | 121 | ||||
| 693 | T | 24 | Very low | 28.4 | Very low | 100 Ų | 100 | 147.4 Ų | 147.4 | 61% | 0.613 | 78% | 0.78 | S | S | * | * | trans | 61 | 135.7 | 144.9 | 38.8 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 694 | D | 25.8 | Very low | 28.4 | Very low | 128 Ų | 128 | 150.9 Ų | 150.9 | 68% | 0.684 | 79% | 0.79 | S | S | * | * | trans | 53.6 | 108.4 | 140.8 | -45.7 | -25.6 | 0 | 0 | 0 | 122.6 | ||||
| 695 | Q | 26.4 | Very low | 29.7 | Very low | 205 Ų | 205 | 146.8 Ų | 146.8 | 96% | 0.958 | 78% | 0.779 | S | S | * | * | -175.3 | -176.7 | 111.5 | -103.8 | 155 | 105.2 | 0 | 0 | 114.7 | |||||
| 696 | Q | 26.2 | Very low | 30.6 | Very low | 170 Ų | 170 | 148.1 Ų | 148.1 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | trans | -131.5 | 168 | -160.4 | -167.6 | -177.8 | -29.3 | 0 | 0 | 110.3 | ||||
| 697 | E | 29 | Very low | 30.7 | Very low | 177 Ų | 177 | 143.6 Ų | 143.6 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | trans | 71.5 | 153 | 170.5 | -55.9 | -166.7 | 134.4 | 0 | 0 | 116.8 | ||||
| 698 | A | 29.7 | Very low | 30.4 | Very low | 81 Ų | 81 | 143.2 Ų | 143.2 | 67% | 0.669 | 78% | 0.781 | S | S | * | * | cis | -166.8 | -177.8 | -22.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 699 | E | 30.7 | Very low | 29.9 | Very low | 182 Ų | 182 | 143.8 Ų | 143.8 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | trans | 73.7 | 152.5 | 170.3 | -53.3 | -162.1 | 140.8 | 0 | 0 | 117.3 | ||||
| 700 | T | 25.2 | Very low | 30.6 | Very low | 115 Ų | 115 | 139.7 Ų | 139.7 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | cis | -144.2 | 135 | 16.4 | -17.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 701 | T | 25.7 | Very low | 30.8 | Very low | 126 Ų | 126 | 142.1 Ų | 142.1 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | trans | 43.3 | 116.8 | 146.5 | 53.3 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 702 | S | 27.8 | Very low | 32.2 | Very low | 114 Ų | 114 | 138.4 Ų | 138.4 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | 64 | 116.5 | 116.1 | -163.8 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 703 | S | 27 | Very low | 32.9 | Very low | 121 Ų | 121 | 134 Ų | 134 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | 179.5 | 160.4 | 106.4 | 38.6 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 704 | E | 28.1 | Very low | 33.3 | Very low | 177 Ų | 177 | 133.6 Ų | 133.6 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | trans | -151 | -173.9 | -165.5 | -148.6 | -149.2 | 148.5 | 0 | 0 | 111.4 | ||||
| 705 | P | 56.8 | Low | 33.5 | Very low | 94 Ų | 94 | 134.3 Ų | 134.3 | 61% | 0.61 | 80% | 0.797 | S | S | * | * | -94.6 | -157.3 | -92.2 | 37 | -23.9 | 0 | 0 | 0 | 113.7 | |||||
| 706 | P | 46.5 | Very low | 33.6 | Very low | 127 Ų | 127 | 130 Ų | 130 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | -137.6 | 162.3 | 85.5 | 38.9 | -25.5 | 0 | 0 | 0 | 115.2 | |||||
| 707 | A | 31.8 | Very low | 34.1 | Very low | 93 Ų | 93 | 127.9 Ų | 127.9 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | -97.5 | 168.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 708 | V | 26.9 | Very low | 34.3 | Very low | 136 Ų | 136 | 128.1 Ų | 128.1 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | trans | -174.6 | 136.3 | 142 | 138.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 709 | C | 31.8 | Very low | 35.5 | Very low | 126 Ų | 126 | 129 Ų | 129 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | trans | -109.4 | 155.8 | 164.1 | -59.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 710 | P | 41.8 | Very low | 36.2 | Very low | 125 Ų | 125 | 126.5 Ų | 126.5 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | -142.9 | 176.3 | 116.7 | 38.8 | -25.9 | 0 | 0 | 0 | 114.3 | |||||
| 711 | E | 30.5 | Very low | 36.8 | Very low | 181 Ų | 181 | 125.5 Ų | 125.5 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | trans | -105.6 | -154.2 | -172.2 | -152.2 | -169.4 | -156 | 0 | 0 | 111.9 | ||||
| 712 | P | 57.6 | Low | 37.1 | Very low | 103 Ų | 103 | 126.2 Ų | 126.2 | 67% | 0.669 | 80% | 0.796 | S | S | * | * | -93.7 | 178.7 | -127 | 42 | -31.5 | 0 | 0 | 0 | 115.3 | |||||
| 713 | P | 41.2 | Very low | 37.3 | Very low | 132 Ų | 132 | 126.3 Ų | 126.3 | 86% | 0.857 | 80% | 0.796 | S | S | * | * | -138.2 | 172.6 | 122.4 | 39.5 | -29.2 | 0 | 0 | 0 | 114.5 | |||||
| 714 | A | 32.2 | Very low | 38.1 | Very low | 93 Ų | 93 | 126.8 Ų | 126.8 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -108.1 | -160.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 715 | V | 29.6 | Very low | 38.3 | Very low | 143 Ų | 143 | 126.9 Ų | 126.9 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | trans | 94.9 | 133.7 | 169.1 | -169.4 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 716 | C | 28.8 | Very low | 38.1 | Very low | 114 Ų | 114 | 127 Ų | 127 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | trans | -74.1 | 174.3 | 179.4 | -45.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 717 | P | 37.8 | Very low | 38 | Very low | 126 Ų | 126 | 126.9 Ų | 126.9 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | -132 | 153.6 | 123.6 | 37.2 | -29.9 | 0 | 0 | 0 | 113.8 | |||||
| 718 | E | 32.5 | Very low | 38 | Very low | 182 Ų | 182 | 126.7 Ų | 126.7 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | trans | -109.3 | -165.1 | 173.7 | -142.7 | -158.4 | 175.6 | 0 | 0 | 110.2 | ||||
| 719 | P | 54.9 | Low | 38.2 | Very low | 100 Ų | 100 | 127.1 Ų | 127.1 | 65% | 0.649 | 80% | 0.797 | S | S | * | * | trans | -94.9 | -177 | -130.2 | 42 | -31.1 | 0 | 0 | 0 | 114.3 | ||||
| 720 | P | 46.7 | Very low | 38.3 | Very low | 128 Ų | 128 | 126.1 Ų | 126.1 | 83% | 0.831 | 79% | 0.792 | S | S | * | * | -135.7 | 157 | 123.6 | 38.1 | -29.4 | 0 | 0 | 0 | 114.3 | |||||
| 721 | A | 36.3 | Very low | 38.7 | Very low | 94 Ų | 94 | 125.5 Ų | 125.5 | 78% | 0.777 | 79% | 0.788 | S | S | * | * | trans | -109 | -169.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 722 | V | 31.6 | Very low | 38.5 | Very low | 142 Ų | 142 | 125.1 Ų | 125.1 | 86% | 0.861 | 79% | 0.786 | S | S | * | * | trans | 100.4 | 118.7 | 172.3 | -176.4 | 0 | 0 | 0 | 0 | 116 | ||||
| 723 | C | 32.1 | Very low | 37.4 | Very low | 116 Ų | 116 | 126.5 Ų | 126.5 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | trans | -91.3 | 166.2 | 169.5 | -52.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 724 | P | 45.1 | Very low | 37.6 | Very low | 131 Ų | 131 | 125.5 Ų | 125.5 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | -141.3 | 178.6 | 120.9 | 37.5 | -24.3 | 0 | 0 | 0 | 114.6 | |||||
| 725 | E | 31 | Very low | 37.5 | Very low | 179 Ų | 179 | 127.1 Ų | 127.1 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | trans | -109.2 | -151.4 | -166.3 | -154.5 | -153.9 | 157.1 | 0 | 0 | 112.9 | ||||
| 726 | P | 54 | Low | 37.5 | Very low | 96 Ų | 96 | 124.6 Ų | 124.6 | 62% | 0.623 | 78% | 0.78 | S | S | * | * | -108.8 | -174.6 | -121.2 | 42.5 | -29.1 | 0 | 0 | 0 | 115.7 | |||||
| 727 | P | 44.6 | Very low | 37.7 | Very low | 124 Ų | 124 | 123.6 Ų | 123.6 | 81% | 0.805 | 78% | 0.78 | S | S | * | * | trans | -141.1 | 120.4 | 147.9 | 35.4 | -18.8 | 0 | 0 | 0 | 117.3 | ||||
| 728 | A | 31.3 | Very low | 37.5 | Very low | 89 Ų | 89 | 126.4 Ų | 126.4 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | 56.7 | 118.6 | 123.3 | 0 | 0 | 0 | 0 | 0 | 124.9 | |||||
| 729 | V | 31.8 | Very low | 38.5 | Very low | 145 Ų | 145 | 122.4 Ų | 122.4 | 88% | 0.879 | 77% | 0.773 | S | S | * | * | 90.5 | 138.6 | 127 | 174.1 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 730 | S | 32 | Very low | 38.3 | Very low | 105 Ų | 105 | 123.3 Ų | 123.3 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | -86.9 | 177.7 | -174.3 | -31.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 731 | P | 50.3 | Low | 37.8 | Very low | 112 Ų | 112 | 121.2 Ų | 121.2 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | -134.2 | -160.6 | 69.8 | 41.1 | -23.8 | 0 | 0 | 0 | 112.3 | |||||
| 732 | E | 27.4 | Very low | 38.5 | Very low | 174 Ų | 174 | 122 Ų | 122 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | cis | -154.6 | 178.6 | 5.9 | -152.8 | 159.5 | -84 | 0 | 0 | 111.5 | ||||
| 733 | V | 33.9 | Very low | 38.6 | Very low | 132 Ų | 132 | 122.4 Ų | 122.4 | 80% | 0.8 | 76% | 0.761 | S | S | * | * | trans | -146.8 | 131.9 | -173.4 | 168.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 734 | P | 46.7 | Very low | 38.5 | Very low | 110 Ų | 110 | 123.6 Ų | 123.6 | 71% | 0.714 | 76% | 0.759 | S | S | * | * | -153.6 | 178.7 | 105 | 43.1 | -24.2 | 0 | 0 | 0 | 114.3 | |||||
| 735 | T | 28.2 | Very low | 37.8 | Very low | 127 Ų | 127 | 122.8 Ų | 122.8 | 78% | 0.779 | 76% | 0.755 | S | S | * | * | cis | -160.8 | 158.7 | 18.4 | -25.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 736 | A | 30.7 | Very low | 38 | Very low | 90 Ų | 90 | 119 Ų | 119 | 74% | 0.744 | 75% | 0.749 | S | S | * | * | trans | 66.7 | 121.7 | 157.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 737 | A | 32 | Very low | 38.1 | Very low | 94 Ų | 94 | 120.1 Ų | 120.1 | 78% | 0.777 | 76% | 0.756 | S | S | * | * | 95.6 | 138.9 | 54 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 738 | E | 34.1 | Very low | 37.9 | Very low | 184 Ų | 184 | 121.4 Ų | 121.4 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | cis | -155.4 | -176.4 | -0.7 | -117.9 | -149.5 | 103.4 | 0 | 0 | 110.4 | ||||
| 739 | P | 53.4 | Low | 38.2 | Very low | 99 Ų | 99 | 122.5 Ų | 122.5 | 64% | 0.643 | 75% | 0.754 | S | S | * | * | trans | -102.8 | -153.3 | -160.5 | 46.4 | -41.5 | 0 | 0 | 0 | 113 | ||||
| 740 | P | 51.1 | Low | 38.4 | Very low | 119 Ų | 119 | 122.6 Ų | 122.6 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | cis | -139.7 | -177.9 | 0.7 | 43 | -22.6 | 0 | 0 | 0 | 118.6 | ||||
| 741 | A | 37 | Very low | 38.4 | Very low | 84 Ų | 84 | 121.5 Ų | 121.5 | 69% | 0.694 | 75% | 0.746 | S | S | * | * | trans | -78.8 | 176.3 | 159.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 742 | P | 49.5 | Very low | 37.5 | Very low | 110 Ų | 110 | 121.5 Ų | 121.5 | 71% | 0.714 | 74% | 0.744 | S | S | * | * | -146.9 | -153.2 | 77.4 | 38.7 | -15.2 | 0 | 0 | 0 | 111.4 | |||||
| 743 | E | 33.6 | Very low | 37.7 | Very low | 150 Ų | 150 | 120.8 Ų | 120.8 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | cis | -168.7 | 178 | 2.5 | -144.8 | 168.1 | -82.7 | 0 | 0 | 111.2 | ||||
| 744 | L | 31.9 | Very low | 37.5 | Very low | 142 Ų | 142 | 118.9 Ų | 118.9 | 74% | 0.743 | 74% | 0.742 | S | S | * | * | trans | 68.5 | 151.7 | 151.5 | -65.8 | 166.5 | 0 | 0 | 0 | 120.8 | ||||
| 745 | C | 28.9 | Very low | 36.7 | Very low | 113 Ų | 113 | 121.4 Ų | 121.4 | 76% | 0.764 | 74% | 0.744 | S | S | * | * | cis | -168 | 169.2 | -27.9 | -152.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 746 | S | 36.6 | Very low | 37.7 | Very low | 101 Ų | 101 | 120.5 Ų | 120.5 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | trans | -115.9 | 173.5 | 159.7 | 56.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 747 | P | 56 | Low | 37.7 | Very low | 118 Ų | 118 | 122.7 Ų | 122.7 | 77% | 0.766 | 74% | 0.739 | S | S | * | * | trans | -122.3 | 120.9 | 171.4 | 34.9 | -20.7 | 0 | 0 | 0 | 114.9 | ||||
| 748 | D | 40.1 | Very low | 37.7 | Very low | 151 Ų | 151 | 123.2 Ų | 123.2 | 81% | 0.807 | 74% | 0.743 | S | S | * | * | trans | 28.6 | 149.7 | 132.2 | -84 | -37.7 | 0 | 0 | 0 | 122.7 | ||||
| 749 | T | 36.4 | Very low | 37.5 | Very low | 113 Ų | 113 | 120.4 Ų | 120.4 | 69% | 0.693 | 74% | 0.739 | S | S | * | * | cis | -153 | -177.7 | 14 | 7.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 750 | L | 35.9 | Very low | 36.6 | Very low | 147 Ų | 147 | 122.7 Ų | 122.7 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | cis | -161.7 | 156.2 | 9.6 | -135 | 155 | 0 | 0 | 0 | 109.7 | ||||
| 751 | A | 32.4 | Very low | 35.8 | Very low | 81 Ų | 81 | 125.2 Ų | 125.2 | 67% | 0.669 | 75% | 0.752 | S | S | * | * | trans | 66.8 | 148 | 149.6 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 752 | T | 31.1 | Very low | 36.8 | Very low | 113 Ų | 113 | 126 Ų | 126 | 69% | 0.693 | 75% | 0.75 | S | S | * | * | cis | -171.3 | 135.3 | -14.7 | -96.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 753 | I | 31.4 | Very low | 37 | Very low | 159 Ų | 159 | 126.6 Ų | 126.6 | 82% | 0.815 | 75% | 0.754 | S | S | * | * | trans | 76.8 | 139.6 | 156.9 | -79 | 166.3 | 0 | 0 | 0 | 122.4 | ||||
| 754 | A | 30.3 | Very low | 37.1 | Very low | 91 Ų | 91 | 123.6 Ų | 123.6 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | trans | 78.6 | 94.9 | 153.9 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 755 | E | 30.3 | Very low | 38 | Very low | 164 Ų | 164 | 122.9 Ų | 122.9 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | trans | -71.1 | 176.5 | 133.4 | -115.7 | -163 | -162.6 | 0 | 0 | 110.8 | ||||
| 756 | P | 49.3 | Very low | 38.3 | Very low | 107 Ų | 107 | 126 Ų | 126 | 70% | 0.695 | 76% | 0.762 | S | S | * | * | cis | -144.8 | 169.3 | 29.9 | 43.9 | -24.3 | 0 | 0 | 0 | 119.7 | ||||
| 757 | L | 31.2 | Very low | 39 | Very low | 136 Ų | 136 | 126.3 Ų | 126.3 | 71% | 0.712 | 76% | 0.761 | S | S | * | * | trans | 31 | 134.7 | 144.1 | -84.6 | 59.2 | 0 | 0 | 0 | 122.4 | ||||
| 758 | A | 31.6 | Very low | 37.8 | Very low | 105 Ų | 105 | 125.9 Ų | 125.9 | 87% | 0.868 | 76% | 0.761 | S | S | * | * | -155.7 | 130.4 | 110 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 759 | T | 30.4 | Very low | 37.5 | Very low | 126 Ų | 126 | 124.9 Ų | 124.9 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | trans | -99.1 | 153.7 | 175.2 | -38 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 760 | V | 33.9 | Very low | 37.3 | Very low | 146 Ų | 146 | 126 Ų | 126 | 89% | 0.885 | 77% | 0.767 | S | S | * | * | trans | -172.3 | 157.6 | 142 | 136.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 761 | E | 32.9 | Very low | 37.1 | Very low | 173 Ų | 173 | 123.6 Ų | 123.6 | 81% | 0.808 | 77% | 0.768 | S | S | * | * | trans | -115.8 | -150.8 | -167.7 | -151.7 | -157.3 | 133.4 | 0 | 0 | 112.8 | ||||
| 762 | P | 60 | Low | 37.1 | Very low | 99 Ų | 99 | 128.5 Ų | 128.5 | 64% | 0.643 | 78% | 0.777 | S | S | * | * | trans | -100.3 | -168 | -136.1 | 44.4 | -28.4 | 0 | 0 | 0 | 113.5 | ||||
| 763 | P | 51.9 | Low | 38.4 | Very low | 123 Ų | 123 | 128.5 Ų | 128.5 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | cis | -146.3 | -163 | 16.1 | 45.7 | -23.3 | 0 | 0 | 0 | 118.3 | ||||
| 764 | A | 35.7 | Very low | 39.3 | Very low | 87 Ų | 87 | 126 Ų | 126 | 72% | 0.719 | 77% | 0.773 | S | S | * | * | trans | -71.5 | 179.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 765 | P | 50.6 | Low | 39.3 | Very low | 128 Ų | 128 | 128 Ų | 128 | 83% | 0.831 | 78% | 0.776 | S | S | * | * | cis | -143.8 | -169.4 | 21.5 | 44.1 | -22.4 | 0 | 0 | 0 | 118.8 | ||||
| 766 | E | 35.8 | Very low | 39.3 | Very low | 179 Ų | 179 | 125.7 Ų | 125.7 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | trans | -51.1 | 172.4 | 172.1 | -83.3 | -177.3 | -155.3 | 0 | 0 | 117.2 | ||||
| 767 | P | 50.9 | Low | 38.4 | Very low | 106 Ų | 106 | 129.3 Ų | 129.3 | 69% | 0.688 | 79% | 0.785 | S | S | * | * | cis | -152 | -168.8 | 33.6 | 44.3 | -22.2 | 0 | 0 | 0 | 120 | ||||
| 768 | S | 30.8 | Very low | 38.9 | Very low | 109 Ų | 109 | 129.1 Ų | 129.1 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | trans | 80.2 | 152.7 | 151.4 | -70.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 769 | V | 35.4 | Very low | 38.7 | Very low | 130 Ų | 130 | 129.5 Ų | 129.5 | 79% | 0.788 | 79% | 0.789 | S | S | * | * | cis | -172.4 | 147.7 | -28.3 | 111.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 770 | V | 31.4 | Very low | 38.8 | Very low | 138 Ų | 138 | 128.8 Ų | 128.8 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | trans | 75 | 140.9 | 157.7 | 154.1 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 771 | A | 31.9 | Very low | 38.6 | Very low | 95 Ų | 95 | 126.4 Ų | 126.4 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | 115.7 | 125.2 | 147.8 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 772 | E | 31.7 | Very low | 38.4 | Very low | 185 Ų | 185 | 123.1 Ų | 123.1 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | trans | -98.8 | -170.1 | 162.1 | -37.2 | 170.8 | 107.2 | 0 | 0 | 109.9 | ||||
| 773 | P | 58.7 | Low | 36.9 | Very low | 113 Ų | 113 | 127.2 Ų | 127.2 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | cis | -125.8 | -132.9 | -15.5 | 36.7 | -13.8 | 0 | 0 | 0 | 108.8 | ||||
| 774 | P | 51.1 | Low | 37.2 | Very low | 105 Ų | 105 | 126.2 Ų | 126.2 | 68% | 0.682 | 79% | 0.791 | S | S | * | * | cis | -134.1 | 162.2 | -27 | 36.9 | -18.3 | 0 | 0 | 0 | 117.5 | ||||
| 775 | V | 29.9 | Very low | 37.7 | Very low | 135 Ų | 135 | 128.1 Ų | 128.1 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | 31.3 | 124 | 137.4 | -174.4 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 776 | S | 30.7 | Very low | 36.6 | Very low | 115 Ų | 115 | 127.7 Ų | 127.7 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | -177.4 | 146.8 | 123.2 | -77.2 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 777 | E | 30.6 | Very low | 36.2 | Very low | 182 Ų | 182 | 123.7 Ų | 123.7 | 85% | 0.85 | 79% | 0.793 | S | S | * | * | trans | -78.7 | 174 | 170.3 | -50 | 175.8 | 122.3 | 0 | 0 | 112 | ||||
| 778 | P | 40.7 | Very low | 35.1 | Very low | 132 Ų | 132 | 123.1 Ų | 123.1 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | -146 | 177.6 | 85.9 | 39.9 | -23.1 | 0 | 0 | 0 | 115.6 | |||||
| 779 | S | 27.8 | Very low | 35 | Very low | 114 Ų | 114 | 126.4 Ų | 126.4 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | -120.3 | 164.9 | -173.9 | -179.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 780 | S | 32.1 | Very low | 35.1 | Very low | 111 Ų | 111 | 126.4 Ų | 126.4 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | trans | 102.3 | 125.5 | 145.7 | -154 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 781 | A | 29.2 | Very low | 34.9 | Very low | 95 Ų | 95 | 124.4 Ų | 124.4 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | 57.4 | 122.3 | 143 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 782 | A | 28.4 | Very low | 34.9 | Very low | 105 Ų | 105 | 125.6 Ų | 125.6 | 87% | 0.868 | 80% | 0.798 | S | S | * | * | -173.7 | 142.8 | 115.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 783 | E | 29.9 | Very low | 34.8 | Very low | 185 Ų | 185 | 121.1 Ų | 121.1 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | trans | -141.9 | 170.3 | 166.9 | -107.4 | -154.3 | 142.1 | 0 | 0 | 107.9 | ||||
| 784 | P | 57.6 | Low | 33.2 | Very low | 101 Ų | 101 | 120.2 Ų | 120.2 | 66% | 0.656 | 80% | 0.795 | S | S | * | * | cis | -121.4 | -156.7 | -33.1 | 34 | -13.9 | 0 | 0 | 0 | 109.5 | ||||
| 785 | P | 46.8 | Very low | 32 | Very low | 128 Ų | 128 | 123.9 Ų | 123.9 | 83% | 0.831 | 80% | 0.803 | S | S | * | * | -151.6 | -176.7 | 82.8 | 39.6 | -18.8 | 0 | 0 | 0 | 115.9 | |||||
| 786 | S | 27.9 | Very low | 32.4 | Very low | 118 Ų | 118 | 123.5 Ų | 123.5 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | trans | -114.6 | 152.3 | -172.4 | 169.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 787 | A | 27.3 | Very low | 32.1 | Very low | 95 Ų | 95 | 123 Ų | 123 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | -171.1 | 121.6 | 146 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 788 | A | 27.2 | Very low | 32 | Very low | 94 Ų | 94 | 119.8 Ų | 119.8 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | trans | 42.1 | 122.4 | 139 | 0 | 0 | 0 | 0 | 0 | 125 | ||||
| 789 | E | 29.4 | Very low | 31.4 | Very low | 178 Ų | 178 | 118.2 Ų | 118.2 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | 32.9 | 142.9 | 119.1 | -80.6 | -156.6 | 152.1 | 0 | 0 | 122.8 | |||||
| 790 | P | 37.5 | Very low | 31.4 | Very low | 130 Ų | 130 | 116.7 Ų | 116.7 | 84% | 0.844 | 79% | 0.79 | S | S | * | * | -146.7 | -174.1 | 74.1 | 41.7 | -23.3 | 0 | 0 | 0 | 116.9 | |||||
| 791 | S | 27.2 | Very low | 31.2 | Very low | 97 Ų | 97 | 119.9 Ų | 119.9 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | trans | -133.2 | -178.1 | -174.6 | 71 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 792 | S | 31.7 | Very low | 31.9 | Very low | 119 Ų | 119 | 120.1 Ų | 120.1 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | 78.1 | 150.1 | 175.6 | 86.9 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 793 | A | 28.1 | Very low | 31.8 | Very low | 92 Ų | 92 | 120 Ų | 120 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | cis | -159.2 | 173.5 | -0.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 794 | A | 26.2 | Very low | 31.7 | Very low | 94 Ų | 94 | 117.2 Ų | 117.2 | 78% | 0.777 | 77% | 0.774 | S | S | * | * | trans | 77.5 | 113 | 154.4 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 795 | E | 26.4 | Very low | 30.2 | Very low | 182 Ų | 182 | 118.8 Ų | 118.8 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | 27.1 | 152.4 | 118.6 | -78.3 | -159 | 157.4 | 0 | 0 | 122.6 | |||||
| 796 | P | 37.6 | Very low | 29.2 | Very low | 126 Ų | 126 | 117.9 Ų | 117.9 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | cis | -144.7 | -162.4 | 43.2 | 43.2 | -22.3 | 0 | 0 | 0 | 117.8 | ||||
| 797 | S | 24.9 | Very low | 29 | Very low | 104 Ų | 104 | 121.9 Ų | 121.9 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -135.2 | 161.6 | -169.6 | 179.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 798 | S | 28.2 | Very low | 28.9 | Very low | 116 Ų | 116 | 121.6 Ų | 121.6 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | trans | 68.1 | 156.7 | 170.7 | 77.9 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 799 | A | 27.9 | Very low | 30.2 | Very low | 98 Ų | 98 | 122.9 Ų | 122.9 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | cis | -170 | -162.5 | -25.7 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 800 | A | 28.1 | Very low | 29.9 | Very low | 83 Ų | 83 | 119.5 Ų | 119.5 | 69% | 0.686 | 78% | 0.778 | S | S | * | * | cis | -164.4 | 164 | 4.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 801 | E | 26.9 | Very low | 29.5 | Very low | 177 Ų | 177 | 120.8 Ų | 120.8 | 83% | 0.827 | 78% | 0.777 | S | S | * | * | trans | 68.9 | 171.7 | 139.8 | -94 | -163.3 | -133.7 | 0 | 0 | 121.9 | ||||
| 802 | P | 46 | Very low | 29.5 | Very low | 101 Ų | 101 | 121.8 Ų | 121.8 | 66% | 0.656 | 78% | 0.775 | S | S | * | * | cis | -140.7 | -178.8 | 21.4 | 45.1 | -26.6 | 0 | 0 | 0 | 120.2 | ||||
| 803 | S | 26 | Very low | 29.5 | Very low | 102 Ų | 102 | 122.7 Ų | 122.7 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | trans | 79.8 | 150.4 | 145.8 | -76.7 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 804 | V | 27.2 | Very low | 29.3 | Very low | 126 Ų | 126 | 124.2 Ų | 124.2 | 76% | 0.764 | 77% | 0.766 | S | S | * | * | cis | -168.7 | 153.1 | -22.3 | 100.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 805 | V | 25.2 | Very low | 29.4 | Very low | 135 Ų | 135 | 126.5 Ų | 126.5 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | 69.4 | 153.7 | 159.8 | 164 | 0 | 0 | 0 | 0 | 121 | ||||
| 806 | S | 26.3 | Very low | 29.6 | Very low | 108 Ų | 108 | 125.2 Ų | 125.2 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | trans | -119.6 | 159 | -178 | 37.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 807 | E | 24.2 | Very low | 29.9 | Very low | 203 Ų | 203 | 124.7 Ų | 124.7 | 95% | 0.949 | 76% | 0.756 | S | S | * | * | trans | -152.4 | -177 | 160.7 | -134.7 | 177 | 163.6 | 0 | 0 | 113.5 | ||||
| 808 | A | 24.6 | Very low | 30.2 | Very low | 89 Ų | 89 | 124.8 Ų | 124.8 | 74% | 0.736 | 75% | 0.752 | S | S | * | * | trans | -131.6 | -177.6 | -157.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 809 | P | 55.1 | Low | 30.1 | Very low | 121 Ų | 121 | 126.5 Ų | 126.5 | 79% | 0.786 | 75% | 0.752 | S | S | * | * | trans | -97.6 | 165.3 | -164 | 38.6 | -36.6 | 0 | 0 | 0 | 116.4 | ||||
| 810 | S | 23.3 | Very low | 30.2 | Very low | 107 Ų | 107 | 129.4 Ų | 129.4 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | trans | -157.4 | 130.9 | 165 | -64.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 811 | L | 29.2 | Very low | 31.3 | Very low | 156 Ų | 156 | 130.8 Ų | 130.8 | 82% | 0.817 | 76% | 0.755 | S | S | * | * | 64 | 144.3 | 96.7 | -56.3 | 177.8 | 0 | 0 | 0 | 114.5 | |||||
| 812 | D | 26.2 | Very low | 31.4 | Very low | 118 Ų | 118 | 126 Ų | 126 | 63% | 0.631 | 75% | 0.746 | S | S | * | * | cis | -150.1 | 175.9 | 16.3 | -130.3 | 0.9 | 0 | 0 | 0 | 109.2 | ||||
| 813 | Q | 32.8 | Very low | 30.7 | Very low | 139 Ų | 139 | 129.9 Ų | 129.9 | 65% | 0.65 | 76% | 0.755 | S | S | * | * | cis | -140.2 | -141.4 | 6.5 | -142.7 | 157.1 | 70.5 | 0 | 0 | 107.1 | ||||
| 814 | T | 23.4 | Very low | 30.9 | Very low | 124 Ų | 124 | 132.9 Ų | 132.9 | 76% | 0.761 | 76% | 0.758 | S | S | * | * | cis | -155.9 | 166 | 8.1 | -24.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 815 | D | 28.8 | Very low | 30.8 | Very low | 141 Ų | 141 | 132.4 Ų | 132.4 | 75% | 0.754 | 76% | 0.755 | S | S | * | * | trans | -101 | 157.7 | -159.6 | -67.3 | -74.7 | 0 | 0 | 0 | 119.8 | ||||
| 816 | E | 30 | Very low | 30.8 | Very low | 155 Ų | 155 | 128.8 Ų | 128.8 | 72% | 0.724 | 75% | 0.746 | S | S | * | * | trans | 11 | 158.3 | 140.4 | -102.1 | -138.9 | 106.1 | 0 | 0 | 122.7 | V818 | E816-V818 PolarHBondContact OE1-N 3.2Š| ||
| 817 | P | 44.8 | Very low | 30.7 | Very low | 116 Ų | 116 | 129.8 Ų | 129.8 | 75% | 0.753 | 75% | 0.752 | S | S | * | * | -156.5 | 148.1 | 59.7 | 41.8 | -18.9 | 0 | 0 | 0 | 122.8 | |||||
| 818 | V | 31 | Very low | 30.6 | Very low | 105 Ų | 105 | 129 Ų | 129 | 64% | 0.636 | 75% | 0.749 | S | S | * | * | 88.9 | 133 | 125.2 | 165.2 | 0 | 0 | 0 | 0 | 125.1 | E816 | E816-V818 PolarHBondContact OE1-N 3.2Š| |||
| 819 | D | 24.3 | Very low | 31.2 | Very low | 153 Ų | 153 | 130.1 Ų | 130.1 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | trans | 94.2 | 153.9 | 148.4 | -97.1 | -36.4 | 0 | 0 | 0 | 126.4 | ||||
| 820 | L | 31 | Very low | 29.6 | Very low | 158 Ų | 158 | 129.2 Ų | 129.2 | 83% | 0.827 | 75% | 0.751 | S | S | * | * | trans | -124.6 | -169.9 | -175.7 | -77.2 | 173.2 | 0 | 0 | 0 | 110.2 | ||||
| 821 | P | 50.3 | Low | 29.6 | Very low | 113 Ų | 113 | 128.8 Ų | 128.8 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | cis | -143.6 | -170 | 7.6 | 45.7 | -26.1 | 0 | 0 | 0 | 118.1 | ||||
| 822 | A | 30.8 | Very low | 29.3 | Very low | 76 Ų | 76 | 125.8 Ų | 125.8 | 63% | 0.628 | 75% | 0.752 | S | S | * | * | trans | 72 | 152.8 | 153.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 823 | E | 30.6 | Very low | 29.2 | Very low | 182 Ų | 182 | 125 Ų | 125 | 85% | 0.85 | 76% | 0.756 | S | S | * | * | cis | -174.4 | 160.4 | -14.6 | -105.6 | 152.7 | -132.6 | 0 | 0 | 105.8 | ||||
| 824 | E | 30.1 | Very low | 28.9 | Very low | 165 Ų | 165 | 127.1 Ų | 127.1 | 77% | 0.771 | 77% | 0.766 | S | S | * | * | cis | -158.4 | 175.8 | -8.4 | -147.7 | -155.7 | -151.5 | 0 | 0 | 105.1 | ||||
| 825 | T | 25.9 | Very low | 29 | Very low | 116 Ų | 116 | 129.9 Ų | 129.9 | 71% | 0.712 | 77% | 0.77 | S | S | * | * | cis | -148.7 | -168 | 2.3 | -14 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 826 | G | 23.5 | Very low | 29.4 | Very low | 60 Ų | 60 | 128.4 Ų | 128.4 | 62% | 0.619 | 77% | 0.768 | S | S | * | * | cis | 170 | 171.3 | 3.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 827 | S | 25.3 | Very low | 29.2 | Very low | 128 Ų | 128 | 126.4 Ų | 126.4 | 90% | 0.895 | 77% | 0.771 | S | S | * | * | trans | 61 | 116.4 | 155.3 | -57.2 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 828 | Q | 22.5 | Very low | 28.2 | Very low | 186 Ų | 186 | 125 Ų | 125 | 87% | 0.869 | 77% | 0.77 | S | S | * | * | trans | -86.9 | -161.8 | 148.4 | -52.1 | -179.2 | -75.6 | 0 | 0 | 109.2 | ||||
| 829 | P | 36.4 | Very low | 27.8 | Very low | 113 Ų | 113 | 128.3 Ų | 128.3 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | cis | -142.6 | 176.2 | -5.1 | 43.9 | -24.7 | 0 | 0 | 0 | 118.3 | ||||
| 830 | A | 21.3 | Very low | 27.9 | Very low | 102 Ų | 102 | 128.7 Ų | 128.7 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | trans | 43.6 | 119.6 | 140.1 | 0 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 831 | A | 23.9 | Very low | 27.6 | Very low | 98 Ų | 98 | 125.5 Ų | 125.5 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | trans | -157.3 | 136.7 | 132.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 832 | A | 22.9 | Very low | 26.4 | Very low | 93 Ų | 93 | 124.6 Ų | 124.6 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | cis | 95.3 | 132.1 | 30.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 833 | S | 24 | Very low | 27.4 | Very low | 103 Ų | 103 | 126.8 Ų | 126.8 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | trans | 92 | 133.8 | 158 | -60.6 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 834 | Q | 27.2 | Very low | 27.5 | Very low | 183 Ų | 183 | 124 Ų | 124 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | trans | 88.2 | 104.6 | 138.1 | -75.6 | 161 | 19 | 0 | 0 | 122.6 | ||||
| 835 | Q | 24.1 | Very low | 27.2 | Very low | 181 Ų | 181 | 119.8 Ų | 119.8 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | trans | -64.3 | -173.6 | 133.9 | -54.8 | 175.3 | -76.1 | 0 | 0 | 110.9 | ||||
| 836 | P | 38.2 | Very low | 27.2 | Very low | 110 Ų | 110 | 117.5 Ų | 117.5 | 71% | 0.714 | 79% | 0.786 | S | S | * | * | -128.2 | 179.5 | -55.2 | 35.5 | -20 | 0 | 0 | 0 | 111.5 | |||||
| 837 | S | 25.6 | Very low | 27.3 | Very low | 113 Ų | 113 | 123.6 Ų | 123.6 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | -168.1 | 122.3 | 148.3 | -84.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 838 | A | 23.4 | Very low | 27.3 | Very low | 88 Ų | 88 | 126.2 Ų | 126.2 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | 62.5 | 95.4 | 83.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 839 | M | 23.5 | Very low | 27.5 | Very low | 173 Ų | 173 | 122.2 Ų | 122.2 | 85% | 0.852 | 80% | 0.795 | S | S | * | * | 75.4 | 112.1 | 74.7 | 176.8 | -172.1 | 168.9 | 0 | 0 | 112.5 | |||||
| 840 | L | 24.7 | Very low | 27 | Very low | 161 Ų | 161 | 125.8 Ų | 125.8 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | trans | -177.5 | 147 | 135.5 | -102.9 | 162.2 | 0 | 0 | 0 | 114.1 | ||||
| 841 | A | 24.6 | Very low | 27.2 | Very low | 92 Ų | 92 | 128.3 Ų | 128.3 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | trans | 54.5 | 109.9 | 149 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 842 | A | 25.8 | Very low | 27.2 | Very low | 94 Ų | 94 | 128.3 Ų | 128.3 | 78% | 0.777 | 79% | 0.791 | S | S | * | * | trans | -120.8 | -176.8 | 134.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 843 | P | 52.2 | Low | 27.4 | Very low | 121 Ų | 121 | 129.6 Ų | 129.6 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | cis | -110.7 | -155.7 | -38.5 | 36.6 | -18.7 | 0 | 0 | 0 | 109.4 | ||||
| 844 | P | 32.1 | Very low | 27.5 | Very low | 124 Ų | 124 | 131.8 Ų | 131.8 | 81% | 0.805 | 80% | 0.797 | S | S | * | * | -128.6 | 174.2 | 66.5 | 26.4 | -4.7 | 0 | 0 | 0 | 112 | |||||
| 845 | G | 23.9 | Very low | 27.5 | Very low | 76 Ų | 76 | 132.7 Ų | 132.7 | 78% | 0.784 | 80% | 0.798 | S | S | * | * | cis | 97.3 | 122.5 | 23 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 846 | G | 25.5 | Very low | 27.5 | Very low | 69 Ų | 69 | 132.2 Ų | 132.2 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | cis | -170.8 | -155.1 | -1.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 847 | E | 26.6 | Very low | 26.9 | Very low | 187 Ų | 187 | 135.4 Ų | 135.4 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | trans | 67.9 | 145.6 | 166.7 | -61.6 | 166.6 | -177.3 | 0 | 0 | 116.7 | ||||
| 848 | E | 25.7 | Very low | 26.9 | Very low | 184 Ų | 184 | 138.1 Ų | 138.1 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | cis | -159 | 150.8 | -18.9 | -125.7 | -179.2 | -172.5 | 0 | 0 | 109.3 | ||||
| 849 | A | 25.3 | Very low | 26.9 | Very low | 101 Ų | 101 | 141.9 Ų | 141.9 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | trans | -162.4 | 132.9 | 160.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 850 | E | 26 | Very low | 26.9 | Very low | 189 Ų | 189 | 139.4 Ų | 139.4 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | trans | -69.3 | 149 | -175.1 | -55.3 | 170.7 | 132.4 | 0 | 0 | 113 | ||||
| 851 | D | 25.7 | Very low | 26.8 | Very low | 155 Ų | 155 | 138.6 Ų | 138.6 | 83% | 0.829 | 80% | 0.797 | S | S | * | * | trans | -112.3 | 138.1 | 163.4 | -174.7 | 25.7 | 0 | 0 | 0 | 110.3 | ||||
| 852 | V | 25.2 | Very low | 26.9 | Very low | 97 Ų | 97 | 141.5 Ų | 141.5 | 59% | 0.588 | 80% | 0.8 | S | S | * | * | trans | -121.8 | 97.4 | -168.6 | -177 | 0 | 0 | 0 | 0 | 109.8 | L854 | V852-L854 HydrophobicContact CG1-CD2 4.41Å; V852-L854 HydrophobicContact CG1-CG 4.29Å; V852-L854 PolarHBondContact O-N 3.48Å | ||
| 853 | S | 25.3 | Very low | 26.9 | Very low | 120 Ų | 120 | 143.2 Ų | 143.2 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | trans | -59.5 | 106.4 | 172.6 | -76.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 854 | L | 26.5 | Very low | 25.7 | Very low | 149 Ų | 149 | 145.5 Ų | 145.5 | 78% | 0.78 | 81% | 0.807 | S | S | * | * | trans | -105.5 | 121.7 | 172 | -72.5 | 178.4 | 0 | 0 | 0 | 111.7 | V852 L856 | V852-L854 HydrophobicContact CG1-CD2 4.41Å; V852-L854 HydrophobicContact CG1-CG 4.29Å; V852-L854 PolarHBondContact O-N 3.48Å; L854-L856 PolarHBondContact O-N 3.14Å | ||
| 855 | K | 26.7 | Very low | 25.2 | Very low | 202 Ų | 202 | 144.1 Ų | 144.1 | 88% | 0.878 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -59 | 131.6 | 161.1 | -75.6 | 175.5 | 172.2 | 175.9 | 0 | 109.3 | ||
| 856 | L | 25.1 | Very low | 25.5 | Very low | 171 Ų | 171 | 149.2 Ų | 149.2 | 90% | 0.895 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -101.2 | 122.7 | 161 | -94.2 | 160 | 0 | 0 | 0 | 109.3 | L854 | L854-L856 PolarHBondContact O-N 3.14Š|
| 857 | Q | 25.3 | Very low | 25.5 | Very low | 177 Ų | 177 | 150 Ų | 150 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 141.9 | 173 | -65.4 | 170.4 | -96.6 | 0 | 0 | 108.7 | ||
| 858 | L | 25.4 | Very low | 25.4 | Very low | 170 Ų | 170 | 146.3 Ų | 146.3 | 89% | 0.89 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 138.8 | 168.1 | -96.8 | 72.5 | 0 | 0 | 0 | 109.9 | ||
| 859 | K | 23.1 | Very low | 25.5 | Very low | 168 Ų | 168 | 143 Ų | 143 | 73% | 0.73 | 80% | 0.801 | S | S | * | * | trans | -140.6 | 112.4 | 161.6 | -163.8 | -170.4 | -178.3 | -146 | 0 | 107.9 | E861 | K859-E861 WeakPolarHBondContact CE-OE1 3.14Å; K859-E861 IonicContact NZ-OE1 3.91Å; K859-E861 PolarHBondContact NZ-OE1 2.68Å | ||
| 860 | T | 24.2 | Very low | 26.2 | Very low | 121 Ų | 121 | 139.8 Ų | 139.8 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | trans | -79.2 | 127.1 | 178.9 | -26.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 861 | E | 23.7 | Very low | 26.7 | Very low | 143 Ų | 143 | 133.3 Ų | 133.3 | 67% | 0.668 | 74% | 0.744 | S | S | * | * | trans | -137.5 | 120.6 | 166.9 | -69.1 | -176 | 169.4 | 0 | 0 | 107.4 | K859 | K859-E861 WeakPolarHBondContact CE-OE1 3.14Å; K859-E861 IonicContact NZ-OE1 3.91Å; K859-E861 PolarHBondContact NZ-OE1 2.68Å | ||
| 862 | D | 26.2 | Very low | 27.4 | Very low | 154 Ų | 154 | 126.4 Ų | 126.4 | 82% | 0.824 | 71% | 0.708 | S | S | * | * | trans | -78.3 | 129.4 | -177.2 | -59.5 | -75.6 | 0 | 0 | 0 | 111.5 | ||||
| 863 | T | 24.9 | Very low | 28.2 | Very low | 130 Ų | 130 | 124 Ų | 124 | 80% | 0.798 | 70% | 0.695 | S | S | * | * | trans | -142.3 | 110.9 | 166.3 | 56.6 | 0 | 0 | 0 | 0 | 111.5 | S865 | T863-S865 PolarHBondContact O-N 2.66Š| ||
| 864 | D | 26.5 | Very low | 28.8 | Very low | 169 Ų | 169 | 121.2 Ų | 121.2 | 90% | 0.904 | 67% | 0.67 | S | S | * | * | trans | -60.4 | 129.5 | 168.2 | -81.8 | -58 | 0 | 0 | 0 | 111.6 | ||||
| 865 | S | 23.6 | Very low | 29.1 | Very low | 94 Ų | 94 | 116.6 Ų | 116.6 | 66% | 0.657 | 65% | 0.654 | S | S | * | * | trans | -145 | 113.6 | 161.5 | 61.8 | 0 | 0 | 0 | 0 | 110.4 | T863 S867 | T863-S865 PolarHBondContact O-N 2.66Å; S865-S867 PolarHBondContact O-N 2.73Å; S865-S867 VanDerWaalsContact O-N 3.16Å | ||
| 866 | L | 29.8 | Very low | 29.3 | Very low | 184 Ų | 184 | 110.5 Ų | 110.5 | 96% | 0.963 | 63% | 0.633 | S | S | * | * | trans | -73.5 | 105.1 | -177.3 | -69.2 | 168.3 | 0 | 0 | 0 | 110.9 | ||||
| 867 | S | 24.4 | Very low | 29.4 | Very low | 84 Ų | 84 | 107.4 Ų | 107.4 | 59% | 0.587 | 63% | 0.626 | S | S | * | * | trans | -117.1 | 134.1 | 164.6 | 61.5 | 0 | 0 | 0 | 0 | 109.7 | S865 S869 | S865-S867 PolarHBondContact O-N 2.73Å; S865-S867 VanDerWaalsContact O-N 3.16Å; S867-S869 PolarHBondContact O-N 2.94Å | ||
| 868 | A | 26 | Very low | 29.7 | Very low | 111 Ų | 111 | 103.7 Ų | 103.7 | 92% | 0.917 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 123.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 869 | S | 26.9 | Very low | 29.7 | Very low | 113 Ų | 113 | 98.5 Ų | 98.5 | 79% | 0.79 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 141.3 | -179.5 | -49.3 | 0 | 0 | 0 | 0 | 112.4 | S867 | S867-S869 PolarHBondContact O-N 2.94Š|
| 870 | D | 39.5 | Very low | 29.9 | Very low | 34 Ų | 34 | 95.6 Ų | 95.6 | 18% | 0.182 | 60% | 0.604 | C | S | . | * | P | Polyproline II helix | trans | -70.4 | 123.8 | 168.5 | -176.2 | -15.5 | 0 | 0 | 0 | 109.3 | R170 N872 S873 | R170-D870 IonicContact CZ-OD2 3.94Å; R170-D870 IonicContact NH2-OD2 2.65Å; R170-D870 PolarHBondContact NH2-OD2 2.95Å; D870-N872 PolarHBondContact O-N 3.37Å; D870-N872 VanDerWaalsContact O-N 3.17Å; D870-N872 VanDerWaalsContact OD1-CB 3.31Å; D870-N872 WeakPolarHBondContact OD1-CB 3.26Å; D870-N872 PolarHBondContact OD1-N 3.38Å; D870-N872 PolarHBondContact OD1-ND2 2.89Å; D870-S873 WeakPolarHBondContact O-CA 3.38Å; D870-S873 WeakPolarHBondContact O-CB 3.47Å; D870-S873 PolarHBondContact O-N 3.34Å |
| 871 | P | 35.9 | Very low | 30 | Very low | 53 Ų | 53 | 97.7 Ų | 97.7 | 34% | 0.344 | 61% | 0.61 | S | S | . | * | G | 310 helix | trans | -62.9 | -17 | 176.8 | 25.3 | -34.8 | 0 | 0 | 0 | 113.9 | I279 S873 | I279-P871 HydrophobicContact CD1-CB 4.29Å; I279-P871 HydrophobicContact CD1-CG 3.76Å; I279-P871 HydrophobicContact CG1-CB 4.28Å; I279-P871 HydrophobicContact CG1-CG 4.3Å; I279-P871 HydrophobicContact CG2-CB 3.72Å; I279-P871 HydrophobicContact CG2-CG 4.11Å; P871-S873 PolarHBondContact O-N 3.37Å |
| 872 | N | 42.3 | Very low | 30.1 | Very low | 10 Ų | 10 | 95.9 Ų | 95.9 | 5% | 0.053 | 61% | 0.613 | C | S | . | * | G | 310 helix | trans | -65.4 | -16.7 | 167.2 | -78.7 | -78.2 | 0 | 0 | 0 | 113.1 | R169 E275 D870 L874 | R169-N872 VanDerWaalsContact CD-OD1 3.26Å; R169-N872 WeakPolarHBondContact CD-OD1 3.34Å; E275-N872 PolarHBondContact OE1-ND2 2.82Å; D870-N872 PolarHBondContact O-N 3.37Å; D870-N872 VanDerWaalsContact O-N 3.17Å; D870-N872 VanDerWaalsContact OD1-CB 3.31Å; D870-N872 WeakPolarHBondContact OD1-CB 3.26Å; D870-N872 PolarHBondContact OD1-N 3.38Å; D870-N872 PolarHBondContact OD1-ND2 2.89Å; N872-L874 VanDerWaalsContact C-N 3.34Å; N872-L874 PolarHBondContact O-N 2.99Å |
| 873 | S | 41.2 | Very low | 30.1 | Very low | 46 Ų | 46 | 94.2 Ų | 94.2 | 32% | 0.322 | 61% | 0.611 | S | S | . | * | G | 310 helix | trans | -92.8 | 30.4 | -179.7 | -171.9 | 0 | 0 | 0 | 0 | 113.5 | D870 P871 A875 | D870-S873 WeakPolarHBondContact O-CA 3.38Å; D870-S873 WeakPolarHBondContact O-CB 3.47Å; D870-S873 PolarHBondContact O-N 3.34Å; P871-S873 PolarHBondContact O-N 3.37Å; S873-A875 PolarHBondContact O-N 2.96Å |
| 874 | L | 38 | Very low | 30.1 | Very low | 62 Ų | 62 | 99 Ų | 99 | 33% | 0.325 | 62% | 0.615 | S | S | . | * | trans | -67 | 67.8 | 165.1 | -77.3 | 175.9 | 0 | 0 | 0 | 111.5 | Q282 L286 N872 V876 | Q282-L874 HydrophobicContact CB-CD1 4.49Å; L286-L874 HydrophobicContact CD2-CD1 4.49Å; L286-L874 HydrophobicContact CD2-CD2 3.96Å; N872-L874 VanDerWaalsContact C-N 3.34Å; N872-L874 PolarHBondContact O-N 2.99Å; L874-V876 VanDerWaalsContact C-N 3.28Å; L874-V876 PolarHBondContact O-N 3.45Å; L874-V876 VanDerWaalsContact O-N 3.08Å | ||
| 875 | A | 31.6 | Very low | 30.1 | Very low | 53 Ų | 53 | 96.6 Ų | 96.6 | 44% | 0.438 | 61% | 0.611 | S | S | . | * | trans | -76.8 | 81.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | S873 S877 | S873-A875 PolarHBondContact O-N 2.96Å; A875-S877 PolarHBondContact O-N 3.21Å; A875-S877 VanDerWaalsContact O-N 3.12Å | ||
| 876 | V | 31.2 | Very low | 30.1 | Very low | 73 Ų | 73 | 98.3 Ų | 98.3 | 44% | 0.442 | 61% | 0.613 | S | S | . | * | trans | -54.2 | 118.5 | 170.8 | 179.5 | 0 | 0 | 0 | 0 | 108 | L286 L874 V878 | L286-V876 HydrophobicContact CD1-CG2 3.93Å; L874-V876 VanDerWaalsContact C-N 3.28Å; L874-V876 PolarHBondContact O-N 3.45Å; L874-V876 VanDerWaalsContact O-N 3.08Å; V876-V878 HydrophobicContact CG1-CG2 4.2Å; V876-V878 PolarHBondContact O-N 3.15Å | ||
| 877 | S | 28.7 | Very low | 30 | Very low | 106 Ų | 106 | 97.1 Ų | 97.1 | 74% | 0.741 | 61% | 0.607 | S | S | * | * | trans | -71 | 96.9 | 171.9 | -172 | 0 | 0 | 0 | 0 | 107.9 | A875 G879 | A875-S877 PolarHBondContact O-N 3.21Å; A875-S877 VanDerWaalsContact O-N 3.12Å; S877-G879 PolarHBondContact O-N 2.85Å; S877-G879 VanDerWaalsContact O-N 3.08Å | ||
| 878 | V | 30.8 | Very low | 30 | Very low | 99 Ų | 99 | 101.8 Ų | 101.8 | 60% | 0.6 | 62% | 0.619 | S | S | * | * | trans | -79.8 | 93.8 | -177.1 | -177.4 | 0 | 0 | 0 | 0 | 109.1 | V876 | V876-V878 HydrophobicContact CG1-CG2 4.2Å; V876-V878 PolarHBondContact O-N 3.15Å | ||
| 879 | G | 26.3 | Very low | 30 | Very low | 61 Ų | 61 | 102 Ų | 102 | 63% | 0.629 | 61% | 0.614 | S | S | * | * | trans | 53.6 | 97.7 | 158.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | S877 D881 | S877-G879 PolarHBondContact O-N 2.85Å; S877-G879 VanDerWaalsContact O-N 3.08Å; G879-D881 PolarHBondContact O-N 2.88Å | ||
| 880 | S | 25.5 | Very low | 30 | Very low | 107 Ų | 107 | 102.3 Ų | 102.3 | 75% | 0.748 | 61% | 0.611 | S | S | * | * | trans | -59.8 | 104.4 | 169.7 | -51.5 | 0 | 0 | 0 | 0 | 111.3 | S882 | S880-S882 PolarHBondContact O-N 2.94Š| ||
| 881 | D | 26.4 | Very low | 29.3 | Very low | 165 Ų | 165 | 110.2 Ų | 110.2 | 88% | 0.882 | 65% | 0.647 | S | S | * | * | trans | -59.9 | 103.6 | 165.7 | -96 | -35.2 | 0 | 0 | 0 | 108.7 | G879 | G879-D881 PolarHBondContact O-N 2.88Š| ||
| 882 | S | 26.6 | Very low | 28.7 | Very low | 105 Ų | 105 | 110.7 Ų | 110.7 | 73% | 0.734 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 126.6 | 170.8 | -62.2 | 0 | 0 | 0 | 0 | 108 | S880 R884 | S880-S882 PolarHBondContact O-N 2.94Å; S882-R884 PolarHBondContact O-N 3.2Å |
| 883 | P | 26.4 | Very low | 27.7 | Very low | 119 Ų | 119 | 117.1 Ų | 117.1 | 77% | 0.773 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 139.4 | -177.2 | 25.9 | -34 | 0 | 0 | 0 | 110.8 | S885 | P883-S885 PolarHBondContact O-N 3.14Š|
| 884 | R | 24.1 | Very low | 26.9 | Very low | 231 Ų | 231 | 119.7 Ų | 119.7 | 87% | 0.872 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 128.9 | 173.5 | -74.6 | -178.4 | 176.3 | 166.3 | -4.9 | 110.5 | S882 | S882-R884 PolarHBondContact O-N 3.2Š|
| 885 | S | 27.3 | Very low | 26.2 | Very low | 119 Ų | 119 | 124.2 Ų | 124.2 | 83% | 0.832 | 74% | 0.738 | S | S | * | * | trans | -112.2 | 54.8 | 175.4 | 52.4 | 0 | 0 | 0 | 0 | 110.6 | P883 L887 | P883-S885 PolarHBondContact O-N 3.14Å; S885-L887 PolarHBondContact O-N 3Å | ||
| 886 | D | 24.2 | Very low | 25.9 | Very low | 129 Ų | 129 | 127.7 Ų | 127.7 | 69% | 0.69 | 76% | 0.755 | S | S | * | * | trans | -89.9 | 90.7 | 176.2 | -60.8 | -51.7 | 0 | 0 | 0 | 109.9 | ||||
| 887 | L | 27.1 | Very low | 25.6 | Very low | 160 Ų | 160 | 129 Ų | 129 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | trans | -135.8 | 75 | 163 | -84.6 | 179 | 0 | 0 | 0 | 109.4 | S885 S889 | S885-L887 PolarHBondContact O-N 3Å; L887-S889 PolarHBondContact O-N 3.35Å | ||
| 888 | E | 24.3 | Very low | 25.4 | Very low | 182 Ų | 182 | 132.4 Ų | 132.4 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | trans | -62.8 | 124.7 | 155.3 | -73.8 | -166.7 | 109.9 | 0 | 0 | 108.7 | ||||
| 889 | S | 25.9 | Very low | 25.1 | Very low | 116 Ų | 116 | 133.8 Ų | 133.8 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | trans | -116.1 | 107.3 | 161.1 | -66.7 | 0 | 0 | 0 | 0 | 107.3 | L887 | L887-S889 PolarHBondContact O-N 3.35Š| ||
| 890 | T | 26.8 | Very low | 25.2 | Very low | 119 Ų | 119 | 138.1 Ų | 138.1 | 73% | 0.73 | 78% | 0.782 | S | S | * | * | trans | -88.8 | 170 | 169.8 | 47.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 891 | E | 24.7 | Very low | 25.2 | Very low | 200 Ų | 200 | 140.4 Ų | 140.4 | 94% | 0.935 | 78% | 0.781 | S | S | * | * | trans | 67.9 | 126.5 | -166.8 | -52.3 | -166.7 | 141 | 0 | 0 | 114.8 | ||||
| 892 | G | 22.6 | Very low | 25.2 | Very low | 62 Ų | 62 | 137.8 Ų | 137.8 | 64% | 0.639 | 77% | 0.771 | S | S | * | * | cis | 138.7 | 121 | -13.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 893 | T | 23.3 | Very low | 25.1 | Very low | 146 Ų | 146 | 140.6 Ų | 140.6 | 90% | 0.896 | 77% | 0.772 | S | S | * | * | trans | 55.8 | 130.3 | 168.4 | 54.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 894 | S | 23.8 | Very low | 25.1 | Very low | 99 Ų | 99 | 139.6 Ų | 139.6 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | cis | -169.8 | -177 | 45.2 | -121.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 895 | E | 23.7 | Very low | 25.1 | Very low | 157 Ų | 157 | 132.6 Ų | 132.6 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | cis | -165.8 | 156.7 | 17.2 | -136.5 | 158.1 | -128.1 | 0 | 0 | 110.5 | ||||
| 896 | T | 23.5 | Very low | 25.5 | Very low | 127 Ų | 127 | 133.2 Ų | 133.2 | 78% | 0.779 | 76% | 0.761 | S | S | * | * | trans | 61.5 | 171.3 | 160.4 | 65.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 897 | S | 25.6 | Very low | 26 | Very low | 99 Ų | 99 | 131.8 Ų | 131.8 | 69% | 0.692 | 76% | 0.761 | S | S | * | * | cis | -174.6 | 158.9 | -49.7 | -84.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 898 | E | 24.4 | Very low | 26.7 | Very low | 179 Ų | 179 | 129.5 Ų | 129.5 | 84% | 0.836 | 76% | 0.756 | S | S | * | * | trans | 65.8 | 157.7 | 166.8 | -58.5 | -168.1 | 146.9 | 0 | 0 | 117.8 | ||||
| 899 | L | 25 | Very low | 26.9 | Very low | 128 Ų | 128 | 129.1 Ų | 129.1 | 67% | 0.67 | 75% | 0.754 | S | S | * | * | cis | -162.9 | 135 | -27.4 | -105.2 | 169 | 0 | 0 | 0 | 108.8 | ||||
| 900 | L | 27.1 | Very low | 27.2 | Very low | 151 Ų | 151 | 131.5 Ų | 131.5 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | trans | 62.2 | 165.7 | 155.8 | -63 | 172.4 | 0 | 0 | 0 | 117.6 | ||||
| 901 | E | 26.6 | Very low | 27.3 | Very low | 156 Ų | 156 | 131.2 Ų | 131.2 | 73% | 0.729 | 75% | 0.751 | S | S | * | * | cis | -152.5 | 155.7 | 5 | -142.7 | -173.1 | 151.8 | 0 | 0 | 110.9 | ||||
| 902 | V | 25.7 | Very low | 27.6 | Very low | 109 Ų | 109 | 125.3 Ų | 125.3 | 66% | 0.661 | 73% | 0.731 | S | S | * | * | trans | 55.9 | 128.8 | 146.3 | 156.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 903 | Q | 25.8 | Very low | 28 | Very low | 165 Ų | 165 | 130.9 Ų | 130.9 | 77% | 0.771 | 74% | 0.741 | S | S | * | * | cis | -168.7 | -176.6 | 7.9 | -127.8 | -174.7 | 81.5 | 0 | 0 | 108 | ||||
| 904 | S | 24.5 | Very low | 28.3 | Very low | 97 Ų | 97 | 129.9 Ų | 129.9 | 68% | 0.678 | 73% | 0.73 | S | S | * | * | cis | -156.2 | -164.6 | 2.3 | -150.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 905 | A | 24.3 | Very low | 28.6 | Very low | 85 Ų | 85 | 132.2 Ų | 132.2 | 70% | 0.702 | 73% | 0.73 | S | S | * | * | trans | -127.1 | -178.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 906 | P | 36.4 | Very low | 28.8 | Very low | 131 Ų | 131 | 130.3 Ų | 130.3 | 85% | 0.851 | 73% | 0.729 | S | S | * | * | -144.8 | 178.5 | 69.7 | 38.9 | -19.4 | 0 | 0 | 0 | 116.5 | |||||
| 907 | S | 34.5 | Very low | 29.2 | Very low | 99 Ų | 99 | 129.1 Ų | 129.1 | 69% | 0.692 | 73% | 0.726 | S | S | * | * | trans | -100.2 | 169.4 | 177 | -157.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 908 | P | 41.7 | Very low | 29.6 | Very low | 112 Ų | 112 | 129.6 Ų | 129.6 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | -134.6 | 145.6 | 111.7 | 33 | -20 | 0 | 0 | 0 | 113 | |||||
| 909 | E | 28.5 | Very low | 29.7 | Very low | 175 Ų | 175 | 124.6 Ų | 124.6 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | 71.9 | 140.5 | 54.1 | -68.8 | -178.7 | 178 | 0 | 0 | 114.5 | |||||
| 910 | E | 32 | Very low | 29.9 | Very low | 166 Ų | 166 | 127.7 Ų | 127.7 | 78% | 0.776 | 74% | 0.743 | S | S | * | * | cis | -155.2 | -156 | -30.3 | -140.8 | -158.6 | 127 | 0 | 0 | 107.2 | ||||
| 911 | T | 28.5 | Very low | 31 | Very low | 113 Ų | 113 | 125.4 Ų | 125.4 | 69% | 0.693 | 74% | 0.737 | S | S | * | * | cis | -158.9 | -172.3 | 8 | -13.3 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 912 | S | 32.5 | Very low | 30.9 | Very low | 76 Ų | 76 | 123 Ų | 123 | 53% | 0.531 | 74% | 0.738 | S | S | . | * | cis | -161.4 | 179.4 | -7.5 | 55.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 913 | E | 31 | Very low | 31.1 | Very low | 178 Ų | 178 | 123.4 Ų | 123.4 | 83% | 0.832 | 74% | 0.74 | S | S | * | * | trans | 67.6 | 142.2 | 151.7 | -74.1 | 157.7 | -116.8 | 0 | 0 | 121.2 | ||||
| 914 | D | 28.1 | Very low | 31.1 | Very low | 125 Ų | 125 | 124.7 Ų | 124.7 | 67% | 0.668 | 74% | 0.744 | S | S | * | * | cis | -162 | 175.6 | -16.4 | -163.7 | 18.5 | 0 | 0 | 0 | 113.1 | ||||
| 915 | Q | 31.7 | Very low | 31.1 | Very low | 148 Ų | 148 | 124 Ų | 124 | 69% | 0.692 | 74% | 0.744 | S | S | * | * | trans | -18.8 | 164.1 | 165.1 | -76.7 | 168.6 | 107 | 0 | 0 | 121.2 | ||||
| 916 | T | 28.1 | Very low | 31.2 | Very low | 118 Ų | 118 | 128 Ų | 128 | 72% | 0.724 | 75% | 0.748 | S | S | * | * | cis | -169.5 | 176.5 | 12.9 | 20.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 917 | S | 31.5 | Very low | 30.6 | Very low | 101 Ų | 101 | 127.6 Ų | 127.6 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | cis | 179.4 | 157.4 | -32.6 | 62.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 918 | A | 33.4 | Very low | 30.1 | Very low | 109 Ų | 109 | 125.8 Ų | 125.8 | 90% | 0.901 | 74% | 0.74 | S | S | * | * | trans | 71.6 | 155.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 919 | G | 26.2 | Very low | 29.2 | Very low | 74 Ų | 74 | 128.8 Ų | 128.8 | 76% | 0.763 | 74% | 0.744 | S | S | * | * | cis | -149.8 | -170.1 | -3.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 920 | E | 29.8 | Very low | 29.5 | Very low | 194 Ų | 194 | 127.4 Ų | 127.4 | 91% | 0.907 | 75% | 0.747 | S | S | * | * | cis | -151.4 | -176 | 11.4 | -112.5 | -150.2 | 111 | 0 | 0 | 110.5 | ||||
| 921 | P | 49.4 | Very low | 29.2 | Very low | 102 Ų | 102 | 128 Ų | 128 | 66% | 0.662 | 75% | 0.75 | S | S | * | * | trans | -126.4 | -154.9 | -140.1 | 47.6 | -37.1 | 0 | 0 | 0 | 118.1 | ||||
| 922 | S | 26.2 | Very low | 29 | Very low | 107 Ų | 107 | 126.7 Ų | 126.7 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | trans | 88.5 | 142.7 | 157.7 | -97.1 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 923 | V | 28.2 | Very low | 28.6 | Very low | 116 Ų | 116 | 126.3 Ų | 126.3 | 70% | 0.703 | 76% | 0.759 | S | S | * | * | cis | -150.3 | 140.3 | 6 | -167.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 924 | K | 25.9 | Very low | 28.3 | Very low | 193 Ų | 193 | 122.4 Ų | 122.4 | 84% | 0.839 | 76% | 0.757 | S | S | * | * | trans | 29.1 | 147.6 | 153.1 | -59.8 | 171.4 | -179 | 175.8 | 0 | 125.3 | ||||
| 925 | A | 26 | Very low | 28.2 | Very low | 82 Ų | 82 | 122.7 Ų | 122.7 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | trans | 74.8 | 154.5 | 136.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 926 | Q | 26 | Very low | 28 | Very low | 170 Ų | 170 | 119.6 Ų | 119.6 | 79% | 0.794 | 76% | 0.763 | S | S | * | * | cis | -155.9 | -170.7 | -11.9 | -119.6 | 172.4 | -73.4 | 0 | 0 | 110.1 | ||||
| 927 | T | 24.2 | Very low | 28 | Very low | 122 Ų | 122 | 123 Ų | 123 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | trans | -8.6 | 142.8 | 157.3 | 52.1 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 928 | G | 22.8 | Very low | 27.8 | Very low | 61 Ų | 61 | 123.1 Ų | 123.1 | 63% | 0.629 | 77% | 0.772 | S | S | * | * | cis | 111.5 | 151.6 | 37.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 929 | E | 24.1 | Very low | 28.2 | Very low | 175 Ų | 175 | 123.6 Ų | 123.6 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | 63.7 | 143.5 | -176.6 | -64.6 | 151.1 | 158.4 | 0 | 0 | 113.9 | ||||
| 930 | V | 34.1 | Very low | 28.2 | Very low | 145 Ų | 145 | 124.4 Ų | 124.4 | 88% | 0.879 | 77% | 0.765 | S | S | * | * | cis | 66.7 | 74.2 | 2.3 | -163 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 931 | E | 26.3 | Very low | 28.3 | Very low | 179 Ų | 179 | 124 Ų | 124 | 84% | 0.836 | 76% | 0.763 | S | S | * | * | trans | -149.7 | 156.3 | 155.5 | -88.3 | -137.9 | 124.5 | 0 | 0 | 108.6 | ||||
| 932 | A | 24.5 | Very low | 28.2 | Very low | 86 Ų | 86 | 124 Ų | 124 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | cis | -167.5 | 168.5 | -20.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 933 | G | 23.6 | Very low | 28.3 | Very low | 68 Ų | 68 | 126.5 Ų | 126.5 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | trans | 111.5 | 108.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 934 | A | 24.1 | Very low | 28.3 | Very low | 96 Ų | 96 | 123.8 Ų | 123.8 | 79% | 0.793 | 76% | 0.763 | S | S | * | * | 60.6 | 132.7 | 59.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 935 | T | 26.4 | Very low | 28.4 | Very low | 130 Ų | 130 | 119.4 Ų | 119.4 | 80% | 0.798 | 76% | 0.764 | S | S | * | * | cis | -162.1 | 153.8 | 41.5 | -32.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 936 | A | 28.3 | Very low | 28.4 | Very low | 84 Ų | 84 | 119.8 Ų | 119.8 | 69% | 0.694 | 77% | 0.767 | S | S | * | * | trans | 58.7 | 157.2 | 151.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 937 | E | 27.6 | Very low | 28.4 | Very low | 190 Ų | 190 | 122 Ų | 122 | 89% | 0.888 | 77% | 0.774 | S | S | * | * | cis | -150.8 | 163.5 | -4.6 | -135.4 | 163.9 | 174.1 | 0 | 0 | 109.4 | ||||
| 938 | S | 26.5 | Very low | 28.6 | Very low | 102 Ų | 102 | 121.3 Ų | 121.3 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | trans | -103.3 | 155.6 | 163.7 | -168.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 939 | P | 42.2 | Very low | 30 | Very low | 120 Ų | 120 | 124 Ų | 124 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | -150.8 | 163.9 | 98.4 | 39.4 | -23.2 | 0 | 0 | 0 | 117.1 | |||||
| 940 | A | 26.7 | Very low | 30.7 | Very low | 91 Ų | 91 | 121.9 Ų | 121.9 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | trans | 79.5 | 94.5 | 141.1 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 941 | E | 32 | Very low | 30.4 | Very low | 184 Ų | 184 | 120.2 Ų | 120.2 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | -46.8 | 169.8 | 123.6 | -78.7 | -172.8 | 148.2 | 0 | 0 | 113 | |||||
| 942 | P | 47 | Very low | 30.4 | Very low | 103 Ų | 103 | 115 Ų | 115 | 67% | 0.669 | 78% | 0.778 | S | S | * | * | cis | -133.6 | -159 | 23.5 | 46.4 | -28.2 | 0 | 0 | 0 | 112.7 | ||||
| 943 | D | 27.6 | Very low | 30.6 | Very low | 160 Ų | 160 | 118.9 Ų | 118.9 | 86% | 0.856 | 79% | 0.787 | S | S | * | * | cis | -150 | 165.6 | 10.6 | -112.1 | -46 | 0 | 0 | 0 | 107.5 | ||||
| 944 | G | 28.2 | Very low | 30.7 | Very low | 58 Ų | 58 | 119.1 Ų | 119.1 | 60% | 0.598 | 79% | 0.789 | S | S | * | * | cis | 155.5 | 139.9 | 0.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 945 | A | 28.3 | Very low | 31.5 | Very low | 102 Ų | 102 | 121.1 Ų | 121.1 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | trans | 52.9 | 112.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 946 | A | 26.1 | Very low | 31.5 | Very low | 90 Ų | 90 | 118.4 Ų | 118.4 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | cis | 78.7 | 131.6 | 48.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 947 | F | 26.3 | Very low | 32 | Very low | 216 Ų | 216 | 123.9 Ų | 123.9 | 95% | 0.947 | 80% | 0.803 | S | S | * | * | trans | -166.9 | 142.1 | 136.9 | -108.2 | -69.3 | 0 | 0 | 0 | 111.3 | ||||
| 948 | S | 27.6 | Very low | 32.2 | Very low | 107 Ų | 107 | 120.2 Ų | 120.2 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | -108 | -173.5 | -177.5 | -45 | 0 | 0 | 0 | 0 | 111 | ||||
| 949 | P | 53.2 | Low | 32.2 | Very low | 119 Ų | 119 | 122 Ų | 122 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | -91.2 | -175.5 | -139.2 | 40.6 | -43.3 | 0 | 0 | 0 | 115.6 | ||||
| 950 | P | 37.8 | Very low | 31.7 | Very low | 129 Ų | 129 | 122.9 Ų | 122.9 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | -133.1 | 168.3 | 119.3 | 38.4 | -29.8 | 0 | 0 | 0 | 114.5 | |||||
| 951 | A | 29 | Very low | 32.1 | Very low | 110 Ų | 110 | 128.5 Ų | 128.5 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | trans | -94.7 | 166 | -176 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 952 | G | 25.9 | Very low | 32.4 | Very low | 70 Ų | 70 | 125.1 Ų | 125.1 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | trans | -177.6 | 106.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 953 | N | 27.9 | Very low | 31.9 | Very low | 168 Ų | 168 | 126.1 Ų | 126.1 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | trans | 20.6 | 123.7 | 154.8 | -53.3 | -11.8 | 0 | 0 | 0 | 120.7 | ||||
| 954 | G | 26.9 | Very low | 32.4 | Very low | 73 Ų | 73 | 124.1 Ų | 124.1 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | trans | -83.4 | -155.1 | 157 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 955 | P | 40.7 | Very low | 33.1 | Very low | 138 Ų | 138 | 125 Ų | 125 | 90% | 0.896 | 79% | 0.788 | S | S | * | * | cis | -118.3 | 166.3 | -0.4 | 40.6 | -29 | 0 | 0 | 0 | 114 | ||||
| 956 | G | 26.5 | Very low | 33.6 | Very low | 72 Ų | 72 | 123.6 Ų | 123.6 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | trans | 179.8 | 144.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 957 | E | 38.1 | Very low | 34.3 | Very low | 200 Ų | 200 | 127 Ų | 127 | 94% | 0.935 | 77% | 0.766 | S | S | * | * | trans | -74.9 | 143.3 | 175.9 | -62.9 | 170.5 | 113.5 | 0 | 0 | 111.8 | ||||
| 958 | P | 31.4 | Very low | 35 | Very low | 112 Ų | 112 | 123.8 Ų | 123.8 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | trans | -122.3 | 107.4 | 159.4 | 33.9 | -20 | 0 | 0 | 0 | 112.6 | ||||
| 959 | D | 27.8 | Very low | 35.8 | Very low | 139 Ų | 139 | 123.7 Ų | 123.7 | 74% | 0.743 | 75% | 0.745 | S | S | * | * | 32.9 | 96.8 | 127.3 | -165.8 | 34.9 | 0 | 0 | 0 | 117.3 | R961 | D959-R961 PolarHBondContact O-N 3.41Š| |||
| 960 | V | 31.4 | Very low | 35.1 | Very low | 140 Ų | 140 | 126.4 Ų | 126.4 | 85% | 0.848 | 74% | 0.739 | S | S | * | * | trans | -73.7 | 105.5 | 176.1 | 178.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 961 | R | 34.3 | Very low | 35.2 | Very low | 208 Ų | 208 | 125.7 Ų | 125.7 | 79% | 0.785 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 142.9 | 165.7 | -66.8 | -176.1 | -179.8 | 178.4 | 0.6 | 110.7 | D959 | D959-R961 PolarHBondContact O-N 3.41Š|
| 962 | P | 38.3 | Very low | 35.6 | Very low | 114 Ų | 114 | 126.9 Ų | 126.9 | 74% | 0.74 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 157.2 | 176.1 | 28.8 | -35.2 | 0 | 0 | 0 | 112 | ||
| 963 | P | 37.7 | Very low | 36 | Very low | 124 Ų | 124 | 127.9 Ų | 127.9 | 81% | 0.805 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -66 | 155.2 | -175.8 | 26.8 | -35 | 0 | 0 | 0 | 113.7 | C965 | P963-C965 PolarHBondContact O-N 3.12Š|
| 964 | D | 37.6 | Very low | 36.3 | Very low | 117 Ų | 117 | 124.6 Ų | 124.6 | 63% | 0.626 | 70% | 0.697 | S | S | * | * | trans | -83.2 | 94.9 | -166.3 | -167.3 | -5.6 | 0 | 0 | 0 | 113 | V966 K967 | D964-V966 PolarHBondContact O-N 3.37Å; D964-V966 VanDerWaalsContact OD1-CB 3.26Å; D964-V966 WeakPolarHBondContact OD1-CB 3.47Å; D964-V966 VanDerWaalsContact OD1-CG2 3.24Å; D964-V966 WeakPolarHBondContact OD1-CG2 3.2Å; D964-V966 PolarHBondContact OD1-N 2.79Å; D964-K967 PolarHBondContact O-N 3.35Å; D964-K967 VanDerWaalsContact O-N 3.08Å | ||
| 965 | C | 42.5 | Very low | 36.8 | Very low | 78 Ų | 78 | 128.8 Ų | 128.8 | 53% | 0.527 | 70% | 0.697 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.6 | -8.6 | 178.5 | 50.5 | 0 | 0 | 0 | 0 | 114.5 | P963 K967 I969 | P963-C965 PolarHBondContact O-N 3.12Å; C965-K967 PolarHBondContact O-N 2.69Å; C965-I969 WeakPolarHBondContact O-CG1 3.35Å; C965-I969 PolarHBondContact O-N 3.07Å |
| 966 | V | 38.5 | Very low | 36.7 | Very low | 72 Ų | 72 | 127.8 Ų | 127.8 | 44% | 0.436 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -63.5 | -27.4 | 170.1 | 179.5 | 0 | 0 | 0 | 0 | 111.9 | D964 R970 | D964-V966 PolarHBondContact O-N 3.37Å; D964-V966 VanDerWaalsContact OD1-CB 3.26Å; D964-V966 WeakPolarHBondContact OD1-CB 3.47Å; D964-V966 VanDerWaalsContact OD1-CG2 3.24Å; D964-V966 WeakPolarHBondContact OD1-CG2 3.2Å; D964-V966 PolarHBondContact OD1-N 2.79Å; V966-R970 WeakPolarHBondContact O-CG 3.3Å; V966-R970 PolarHBondContact O-N 3.3Å; V966-R970 VanDerWaalsContact O-N 3.09Å |
| 967 | K | 41.2 | Very low | 37.1 | Very low | 160 Ų | 160 | 130.9 Ų | 130.9 | 70% | 0.696 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -72.3 | -40.6 | -179.2 | -160.7 | 177.4 | -177.4 | -174.6 | 0 | 112.6 | D964 C965 R970 N971 | D964-K967 PolarHBondContact O-N 3.35Å; D964-K967 VanDerWaalsContact O-N 3.08Å; C965-K967 PolarHBondContact O-N 2.69Å; K967-R970 PolarHBondContact O-N 3.2Å; K967-N971 PolarHBondContact O-N 3.32Å |
| 968 | E | 40.5 | Very low | 36.7 | Very low | 149 Ų | 149 | 129.6 Ų | 129.6 | 70% | 0.696 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -69.1 | -39.3 | 175.9 | -65.5 | 176.9 | 139.1 | 0 | 0 | 111.3 | R970 N971 L972 | E968-R970 VanDerWaalsContact C-N 3.28Å; E968-R970 PolarHBondContact O-N 3.11Å; E968-N971 PolarHBondContact O-N 2.67Å; E968-L972 PolarHBondContact O-N 3.44Å; E968-L972 VanDerWaalsContact O-N 3.1Å |
| 969 | I | 44.2 | Very low | 36.7 | Very low | 106 Ų | 106 | 131.2 Ų | 131.2 | 54% | 0.544 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -62 | -34.4 | 174.3 | -67.6 | 168.6 | 0 | 0 | 0 | 111.7 | C965 V973 | C965-I969 WeakPolarHBondContact O-CG1 3.35Å; C965-I969 PolarHBondContact O-N 3.07Å; I969-V973 VanDerWaalsContact O-CG2 3.3Å; I969-V973 WeakPolarHBondContact O-CG2 3.47Å; I969-V973 PolarHBondContact O-N 2.78Å |
| 970 | R | 39.3 | Very low | 36.9 | Very low | 175 Ų | 175 | 133 Ų | 133 | 66% | 0.66 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -66.7 | -44.8 | 173.4 | -79.1 | -174.6 | -177.9 | -172.5 | 2.4 | 112.4 | V966 K967 E968 L972 V973 V974 | V966-R970 WeakPolarHBondContact O-CG 3.3Å; V966-R970 PolarHBondContact O-N 3.3Å; V966-R970 VanDerWaalsContact O-N 3.09Å; K967-R970 PolarHBondContact O-N 3.2Å; E968-R970 VanDerWaalsContact C-N 3.28Å; E968-R970 PolarHBondContact O-N 3.11Å; R970-L972 VanDerWaalsContact C-N 3.25Å; R970-L972 PolarHBondContact O-N 3.34Å; R970-V973 PolarHBondContact O-N 2.85Å; R970-V974 PolarHBondContact O-N 3.19Å; R970-V974 VanDerWaalsContact O-N 3.09Å |
| 971 | N | 38.6 | Very low | 36.6 | Very low | 114 Ų | 114 | 135.1 Ų | 135.1 | 61% | 0.61 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -60.9 | -37.2 | 179 | -71 | 7.2 | 0 | 0 | 0 | 111.5 | K967 E968 V973 | K967-N971 PolarHBondContact O-N 3.32Å; E968-N971 PolarHBondContact O-N 2.67Å; N971-V973 PolarHBondContact O-N 2.95Å |
| 972 | L | 38.5 | Very low | 36.4 | Very low | 136 Ų | 136 | 130.2 Ų | 130.2 | 71% | 0.712 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -70.5 | -7.4 | 175.5 | -152 | 76.5 | 0 | 0 | 0 | 114.6 | E968 R970 | E968-L972 PolarHBondContact O-N 3.44Å; E968-L972 VanDerWaalsContact O-N 3.1Å; R970-L972 VanDerWaalsContact C-N 3.25Å; R970-L972 PolarHBondContact O-N 3.34Å |
| 973 | V | 33.3 | Very low | 35.7 | Very low | 91 Ų | 91 | 133.3 Ų | 133.3 | 55% | 0.552 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -112.1 | -21.9 | -178.4 | 171.2 | 0 | 0 | 0 | 0 | 112.4 | I969 R970 N971 | I969-V973 VanDerWaalsContact O-CG2 3.3Å; I969-V973 WeakPolarHBondContact O-CG2 3.47Å; I969-V973 PolarHBondContact O-N 2.78Å; R970-V973 PolarHBondContact O-N 2.85Å; N971-V973 PolarHBondContact O-N 2.95Å |
| 974 | V | 35.6 | Very low | 35.3 | Very low | 98 Ų | 98 | 134.5 Ų | 134.5 | 59% | 0.594 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -71.6 | -31.9 | 173.7 | 173.8 | 0 | 0 | 0 | 0 | 111.7 | R970 V976 I977 | R970-V974 PolarHBondContact O-N 3.19Å; R970-V974 VanDerWaalsContact O-N 3.09Å; V974-V976 PolarHBondContact O-N 2.69Å; V974-I977 PolarHBondContact O-N 2.72Å |
| 975 | E | 36.6 | Very low | 34.8 | Very low | 161 Ų | 161 | 137.4 Ų | 137.4 | 75% | 0.752 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | 7.2 | 177.3 | -149.6 | 179.2 | -145.2 | 0 | 0 | 114.4 | ||
| 976 | V | 38 | Very low | 34 | Very low | 117 Ų | 117 | 143.1 Ų | 143.1 | 71% | 0.709 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.6 | -14.8 | -175.5 | -179.3 | 0 | 0 | 0 | 0 | 113.3 | V974 | V974-V976 PolarHBondContact O-N 2.69Š|
| 977 | I | 36.1 | Very low | 33.8 | Very low | 137 Ų | 137 | 145.5 Ų | 145.5 | 70% | 0.703 | 73% | 0.727 | S | S | * | * | trans | -139.3 | 82.3 | -177.9 | -46.6 | -179.8 | 0 | 0 | 0 | 112 | V974 | V974-I977 PolarHBondContact O-N 2.72Š| ||
| 978 | E | 28.9 | Very low | 33.2 | Very low | 174 Ų | 174 | 147.3 Ų | 147.3 | 81% | 0.813 | 74% | 0.735 | S | S | * | * | trans | -146.9 | 106.6 | 149.7 | -126 | 161.7 | -131.2 | 0 | 0 | 110 | ||||
| 979 | V | 32 | Very low | 32.6 | Very low | 146 Ų | 146 | 149.6 Ų | 149.6 | 89% | 0.885 | 75% | 0.745 | S | S | * | * | trans | -131.2 | 87.1 | 174.2 | 179.4 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 980 | E | 31.1 | Very low | 31.9 | Very low | 177 Ų | 177 | 157.3 Ų | 157.3 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | trans | -79.5 | 166.7 | 171.2 | -70.3 | -156.3 | 126.4 | 0 | 0 | 112.4 | ||||
| 981 | E | 26.8 | Very low | 31.5 | Very low | 184 Ų | 184 | 156.4 Ų | 156.4 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | trans | -82.9 | 146 | -154 | -56.1 | -175 | 128.9 | 0 | 0 | 114.7 | M983 | E981-M983 PolarHBondContact O-N 3.34Š| ||
| 982 | P | 29 | Very low | 31.1 | Very low | 104 Ų | 104 | 158.6 Ų | 158.6 | 68% | 0.675 | 79% | 0.794 | S | S | * | * | trans | -79.2 | 98.3 | 173.7 | 31.8 | -33.3 | 0 | 0 | 0 | 111.3 | H984 | P982-H984 PolarHBondContact O-N 3.36Å; P982-H984 VanDerWaalsContact O-N 3.11Å; P982-H984 PolarHBondContact O-ND1 2.79Å | ||
| 983 | M | 24.8 | Very low | 30.7 | Very low | 180 Ų | 180 | 159.9 Ų | 159.9 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | trans | -54.5 | 118.4 | 169 | -84.2 | -155.3 | 179.5 | 0 | 0 | 111 | E981 | E981-M983 PolarHBondContact O-N 3.34Š| ||
| 984 | H | 29 | Very low | 30.6 | Very low | 148 Ų | 148 | 163.9 Ų | 163.9 | 69% | 0.685 | 81% | 0.813 | S | S | * | * | trans | -90.2 | 119.1 | 170.7 | -72.8 | 47.6 | 0 | 0 | 0 | 109.4 | P982 | P982-H984 PolarHBondContact O-N 3.36Å; P982-H984 VanDerWaalsContact O-N 3.11Å; P982-H984 PolarHBondContact O-ND1 2.79Å | ||
| 985 | Q | 26.2 | Very low | 30.3 | Very low | 179 Ų | 179 | 168.1 Ų | 168.1 | 84% | 0.836 | 83% | 0.827 | S | S | * | * | trans | -118.4 | 108.7 | 159.7 | -70.7 | -167.2 | 2.9 | 0 | 0 | 109.4 | ||||
| 986 | Y | 25.9 | Very low | 29.8 | Very low | 197 Ų | 197 | 168.5 Ų | 168.5 | 77% | 0.773 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 133.7 | 162.6 | -78.7 | -97.5 | 0 | 0 | 0 | 108.5 | ||
| 987 | P | 35.1 | Very low | 29.3 | Very low | 122 Ų | 122 | 172.2 Ų | 172.2 | 79% | 0.792 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 138.7 | 153.7 | 30.4 | -32 | 0 | 0 | 0 | 108.2 | ||
| 988 | K | 27 | Very low | 28.7 | Very low | 199 Ų | 199 | 174.9 Ų | 174.9 | 87% | 0.865 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 147.2 | 165.9 | -76.7 | -175.8 | 174.6 | -177.3 | 0 | 109.4 | ||
| 989 | E | 27.9 | Very low | 28.7 | Very low | 196 Ų | 196 | 175 Ų | 175 | 92% | 0.916 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -73 | 126.9 | 160.8 | -59.7 | 166.7 | 126.4 | 0 | 0 | 109.1 | ||
| 990 | E | 30 | Very low | 28.4 | Very low | 268 Ų | 268 | 177.6 Ų | 177.6 | 100% | 1.252 | 85% | 0.852 | S | S | * | * | trans | -156.3 | 0 | 148.4 | -152.2 | 166.1 | -128.1 | 0 | 0 | 109.1 |
Retrieved 990 of 990 residues in 1486.8 ms
(Link to these results)